*HEADER    ANTIFUNGAL PROTEIN                      05-JUN-18   6DMZ              
*TITLE     SOLUTION STRUCTURE OF ZMD32                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: FLOWER-SPECIFIC GAMMA-THIONIN;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: KNOT1 DOMAIN RESIDUES 18-64;                               
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ZEA MAYS;                                       
*SOURCE   3 ORGANISM_COMMON: MAIZE;                                              
*SOURCE   4 ORGANISM_TAXID: 4577;                                                
*SOURCE   5 EXPRESSION_SYSTEM: KOMAGATAELLA PASTORIS;                            
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 4922                                        
*KEYWDS    ANTIMICROBIAL PEPTIDE, PLANT DEFENSIN, ANTIFUNGAL PROTEIN             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    P.J.HARVEY,D.J.CRAIK                                                  
*REVDAT   1   15-MAY-19 6DMZ    0                                                
# Restraints file 1: TaD5pdb.restraints
!distance restraints
assign (resid  15 and name   HN)   (resid  15 and name HD1#)   3.145    1.345    1.345  
assign (resid  15 and name   HN)   (resid  15 and name HD2#)   3.145    1.345    1.345  
assign (resid   9 and name   HN)   (resid   9 and name  HG2)   2.980    1.180    1.180  
assign (resid   9 and name   HN)   (resid   9 and name  HG1)   2.980    1.180    1.180  
assign (resid  15 and name   HN)   (resid  15 and name   HG)   2.950    1.150    1.150  
assign (resid  23 and name   HN)   (resid  23 and name HG2#)   3.080    1.280    1.280  
assign (resid  23 and name   HN)   (resid  23 and name HG1#)   3.080    1.280    1.280  
assign (resid  23 and name   HN)   (resid  23 and name   HB)   2.680    0.880    0.880  
assign (resid  23 and name HG1#)   (resid  24 and name   HN)   3.100    1.300    1.300  
assign (resid  23 and name HG2#)   (resid  24 and name   HN)   3.100    1.300    1.300  
assign (resid  23 and name   HB)   (resid  24 and name   HN)   2.955    1.155    1.155  
assign (resid  23 and name   HN)   (resid  24 and name   HN)   2.715    0.915    0.915  
assign (resid  12 and name  HA2)   (resid  13 and name  HD2)   2.760    0.960    0.960  
assign (resid  12 and name  HA2)   (resid  13 and name  HD1)   2.760    0.960    0.960  
assign (resid  12 and name  HA1)   (resid  13 and name  HD2)   2.760    0.960    0.960  
assign (resid  12 and name  HA1)   (resid  13 and name  HD1)   2.760    0.960    0.960  
assign (resid  29 and name   HA)   (resid  29 and name  HD#)   2.645    0.845    0.845  
assign (resid  29 and name   HA)   (resid  29 and name  HE#)   3.115    1.315    1.315  
assign (resid  29 and name   HN)   (resid  29 and name  HD#)   2.865    1.065    1.065  
assign (resid  29 and name   HN)   (resid  29 and name  HE#)   3.650    1.850    1.850  
assign (resid  29 and name  HE#)   (resid  45 and name   HN)   3.650    1.850    1.850  
assign (resid  25 and name   HA)   (resid  29 and name   HN)   2.735    0.935    0.935  
assign (resid  29 and name   HN)   (resid  29 and name  HB2)   2.905    1.105    1.105  
assign (resid  29 and name   HN)   (resid  29 and name  HB1)   2.905    1.105    1.105  
assign (resid  28 and name   HN)   (resid  29 and name   HN)   2.645    0.845    0.845  
assign (resid  25 and name   HA)   (resid  28 and name   HN)   3.100    1.300    1.300  
assign (resid  24 and name   HN)   (resid  25 and name   HN)   2.830    1.030    1.030  
assign (resid  25 and name   HN)   (resid  26 and name   HN)   2.815    1.015    1.015  
assign (resid  24 and name  HB2)   (resid  25 and name   HN)   2.910    1.110    1.110  
assign (resid  24 and name  HB1)   (resid  25 and name   HN)   3.125    1.325    1.325  
assign (resid  25 and name   HN)   (resid  25 and name  HB2)   2.775    0.975    0.975  
assign (resid  25 and name   HN)   (resid  25 and name  HB1)   2.775    0.975    0.975  
assign (resid  44 and name   HN)   (resid  44 and name HG2#)   2.910    1.110    1.110  
assign (resid  44 and name   HN)   (resid  45 and name   HN)   3.255    1.455    1.455  
assign (resid  26 and name   HN)   (resid  26 and name HG2#)   2.550    0.750    0.750  
assign (resid  26 and name   HN)   (resid  26 and name   HB)   2.810    1.010    1.010  
assign (resid  26 and name   HN)   (resid  27 and name   HN)   2.695    0.895    0.895  
assign (resid  26 and name   HB)   (resid  27 and name   HN)   3.365    1.565    1.565  
assign (resid  26 and name HG2#)   (resid  27 and name   HN)   3.160    1.360    1.360  
assign (resid   2 and name HG2#)   (resid   3 and name   HN)   2.830    1.030    1.030  
assign (resid   3 and name   HN)   (resid   3 and name  HB1)   2.975    1.175    1.175  
assign (resid   3 and name   HN)   (resid   3 and name  HB2)   2.975    1.175    1.175  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.475    0.675    0.675  
assign (resid   3 and name   HN)   (resid   4 and name   HN)   3.045    1.245    1.245  
assign (resid   3 and name  HB2)   (resid   4 and name   HN)   2.930    1.130    1.130  
assign (resid   3 and name  HB1)   (resid   4 and name   HN)   2.930    1.130    1.130  
assign (resid   4 and name   HN)   (resid   4 and name  HG2)   3.100    1.300    1.300  
assign (resid   4 and name   HN)   (resid   4 and name  HG1)   3.100    1.300    1.300  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.425    0.625    0.625  
assign (resid   8 and name   HN)   (resid   8 and name  HB2)   2.990    1.190    1.190  
assign (resid   8 and name   HN)   (resid   8 and name  HB1)   2.990    1.190    1.190  
assign (resid   8 and name  HB2)   (resid   9 and name   HN)   3.150    1.350    1.350  
assign (resid   8 and name  HB1)   (resid   9 and name   HN)   3.150    1.350    1.350  
assign (resid  14 and name   HA)   (resid  15 and name   HN)   2.565    0.765    0.765  
assign (resid   8 and name   HN)   (resid   9 and name   HN)   2.695    0.895    0.895  
assign (resid   9 and name  HG2)   (resid  10 and name   HN)   3.590    1.790    1.790  
assign (resid   9 and name  HG1)   (resid  10 and name   HN)   3.590    1.790    1.790  
assign (resid   9 and name   HN)   (resid  10 and name   HN)   2.660    0.860    0.860  
assign (resid  10 and name   HA)   (resid  10 and name  HD#)   2.730    0.930    0.930  
assign (resid  10 and name   HA)   (resid  10 and name  HE#)   3.180    1.380    1.380  
assign (resid  10 and name   HN)   (resid  10 and name  HD#)   3.140    1.340    1.340  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.385    0.585    0.585  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   3.340    1.540    1.540  
assign (resid  10 and name  HD#)   (resid  11 and name   HN)   3.070    1.270    1.270  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   3.325    1.525    1.525  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.430    0.630    0.630  
assign (resid  32 and name  HA1)   (resid  33 and name   HN)   2.675    0.875    0.875  
assign (resid  32 and name  HA2)   (resid  33 and name   HN)   2.675    0.875    0.875  
assign (resid  32 and name   HN)   (resid  33 and name   HN)   3.380    1.580    1.580  
assign (resid  31 and name   HN)   (resid  32 and name   HN)   3.505    1.705    1.705  
assign (resid  30 and name  HG2)   (resid  31 and name   HN)   3.190    1.390    1.390  
assign (resid  42 and name   HN)   (resid  42 and name  HD#)   2.970    1.170    1.170  
assign (resid   2 and name   HN)   (resid   3 and name   HN)   3.270    1.470    1.470  
assign (resid  33 and name   HA)   (resid  34 and name   HN)   2.280    0.480    0.480  
assign (resid   2 and name   HA)   (resid   2 and name HG2#)   2.745    0.945    0.945  
assign (resid   2 and name   HN)   (resid   2 and name HG2#)   2.935    1.135    1.135  
assign (resid  33 and name  HB2)   (resid  34 and name   HN)   2.875    1.075    1.075  
assign (resid   2 and name   HN)   (resid   2 and name   HB)   2.715    0.915    0.915  
assign (resid   4 and name   HA)   (resid   5 and name  HB2)   3.650    1.850    1.850  
assign (resid   4 and name   HA)   (resid   5 and name  HB1)   3.650    1.850    1.850  
assign (resid   5 and name   HN)   (resid  42 and name  HD#)   3.130    1.330    1.330  
assign (resid   5 and name   HN)   (resid  43 and name   HN)   2.930    1.130    1.130  
assign (resid  43 and name   HA)   (resid  44 and name   HB)   3.485    1.685    1.685  
assign (resid  24 and name  HB1)   (resid  43 and name   HA)   3.385    1.585    1.585  
assign (resid  43 and name   HN)   (resid  43 and name  HB1)   2.955    1.155    1.155  
assign (resid  43 and name   HN)   (resid  43 and name  HB2)   2.955    1.155    1.155  
assign (resid  42 and name  HB1)   (resid  43 and name   HN)   3.030    1.230    1.230  
assign (resid   5 and name  HB2)   (resid  43 and name   HN)   3.650    1.850    1.850  
assign (resid   5 and name  HB1)   (resid  43 and name   HN)   3.650    1.850    1.850  
assign (resid   6 and name   HA)   (resid  43 and name   HN)   3.055    1.255    1.255  
assign (resid  42 and name   HA)   (resid  43 and name   HN)   2.430    0.630    0.630  
assign (resid  42 and name  HD#)   (resid  43 and name   HN)   3.220    1.420    1.420  
assign (resid   7 and name   HN)   (resid  43 and name   HN)   3.620    1.820    1.820  
assign (resid  33 and name   HN)   (resid  44 and name   HN)   3.420    1.620    1.620  
assign (resid  43 and name   HN)   (resid  44 and name   HN)   3.650    1.850    1.850  
assign (resid  44 and name   HA)   (resid  44 and name HG2#)   2.630    0.830    0.830  
assign (resid  11 and name  HB2)   (resid  12 and name   HN)   3.340    1.540    1.540  
assign (resid  11 and name  HB1)   (resid  12 and name   HN)   3.340    1.540    1.540  
assign (resid  12 and name   HN)   (resid  13 and name  HD2)   3.465    1.665    1.665  
assign (resid  12 and name   HN)   (resid  13 and name  HD1)   3.465    1.665    1.665  
assign (resid  43 and name   HA)   (resid  44 and name   HN)   2.475    0.675    0.675  
assign (resid  15 and name  HB1)   (resid  16 and name   HN)   2.970    1.170    1.170  
assign (resid  25 and name  HB2)   (resid  26 and name   HN)   2.970    1.170    1.170  
assign (resid  25 and name  HB1)   (resid  26 and name   HN)   2.970    1.170    1.170  
assign (resid  15 and name  HB2)   (resid  16 and name   HN)   2.970    1.170    1.170  
assign (resid  23 and name   HA)   (resid  26 and name   HN)   2.990    1.190    1.190  
assign (resid  44 and name   HB)   (resid  45 and name   HN)   3.130    1.330    1.330  
assign (resid  27 and name   HA)   (resid  27 and name  HG2)   2.840    1.040    1.040  
assign (resid  27 and name   HA)   (resid  27 and name  HG1)   2.840    1.040    1.040  
assign (resid  24 and name   HA)   (resid  27 and name   HN)   3.095    1.295    1.295  
assign (resid  25 and name   HA)   (resid  27 and name   HN)   3.365    1.565    1.565  
assign (resid   5 and name   HA)   (resid  42 and name  HD#)   2.875    1.075    1.075  
assign (resid   6 and name   HA)   (resid  42 and name  HD#)   2.955    1.155    1.155  
assign (resid  34 and name   HN)   (resid  34 and name  HB2)   2.945    1.145    1.145  
assign (resid  34 and name   HN)   (resid  34 and name  HB1)   2.945    1.145    1.145  
assign (resid  13 and name   HA)   (resid  14 and name   HN)   2.430    0.630    0.630  
assign (resid   2 and name   HB)   (resid   3 and name   HN)   2.650    0.850    0.850  
assign (resid   8 and name   HN)   (resid   9 and name  HG2)   3.650    1.850    1.850  
assign (resid   8 and name   HN)   (resid   9 and name  HG1)   3.650    1.850    1.850  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.590    0.790    0.790  
assign (resid   9 and name   HN)   (resid  10 and name  HB2)   3.350    1.550    1.550  
assign (resid   9 and name   HN)   (resid  10 and name  HB1)   3.650    1.850    1.850  
assign (resid   9 and name   HN)   (resid  10 and name   HA)   3.650    1.850    1.850  
assign (resid  15 and name   HN)   (resid  16 and name   HN)   2.720    0.920    0.920  
assign (resid  10 and name  HE#)   (resid  15 and name   HN)   3.455    1.655    1.655  
assign (resid  10 and name   HN)   (resid  10 and name  HB2)   2.530    0.730    0.730  
assign (resid  10 and name   HN)   (resid  10 and name  HB1)   2.760    0.960    0.960  
assign (resid  10 and name  HD#)   (resid  20 and name   HA)   2.755    0.955    0.955  
assign (resid  10 and name  HE#)   (resid  20 and name   HA)   2.730    0.930    0.930  
assign (resid  10 and name  HD#)   (resid  41 and name  HB1)   2.995    1.195    1.195  
assign (resid  10 and name  HE#)   (resid  41 and name  HB1)   3.305    1.505    1.505  
assign (resid  10 and name  HD#)   (resid  23 and name HG1#)   2.660    0.860    0.860  
assign (resid  10 and name  HE#)   (resid  23 and name HG1#)   3.390    1.590    1.590  
assign (resid  10 and name  HD#)   (resid  41 and name  HB2)   2.995    1.195    1.195  
assign (resid  10 and name  HE#)   (resid  41 and name  HB2)   3.305    1.505    1.505  
assign (resid  10 and name  HE#)   (resid  19 and name  HB2)   3.105    1.305    1.305  
assign (resid  10 and name  HD#)   (resid  11 and name   HA)   3.270    1.470    1.470  
assign (resid  10 and name  HE#)   (resid  14 and name   HN)   3.360    1.560    1.560  
assign (resid  10 and name  HD#)   (resid  41 and name   HN)   3.305    1.505    1.505  
assign (resid  10 and name  HD#)   (resid  23 and name   HN)   3.340    1.540    1.540  
assign (resid  11 and name   HN)   (resid  23 and name HG1#)   3.650    1.850    1.850  
assign (resid  11 and name   HN)   (resid  23 and name HG2#)   3.650    1.850    1.850  
assign (resid  10 and name  HB2)   (resid  11 and name   HN)   3.315    1.515    1.515  
assign (resid  10 and name  HB1)   (resid  11 and name   HN)   3.420    1.620    1.620  
assign (resid  15 and name  HB1)   (resid  15 and name HD2#)   2.830    1.030    1.030  
assign (resid  15 and name   HA)   (resid  15 and name HD2#)   3.065    1.265    1.265  
assign (resid   9 and name  HG2)   (resid  23 and name HG2#)   3.650    1.850    1.850  
assign (resid   9 and name  HG1)   (resid  23 and name HG2#)   3.650    1.850    1.850  
assign (resid  10 and name  HB2)   (resid  23 and name HG2#)   2.930    1.130    1.130  
assign (resid  10 and name  HB2)   (resid  23 and name HG1#)   2.930    1.130    1.130  
assign (resid  10 and name   HA)   (resid  23 and name HG1#)   3.025    1.225    1.225  
assign (resid  23 and name   HA)   (resid  23 and name HG1#)   2.640    0.840    0.840  
assign (resid  10 and name   HA)   (resid  23 and name HG2#)   3.025    1.225    1.225  
assign (resid  22 and name   HN)   (resid  23 and name   HN)   2.870    1.070    1.070  
assign (resid  20 and name   HA)   (resid  23 and name   HN)   3.020    1.220    1.220  
assign (resid  21 and name   HA)   (resid  24 and name  HB1)   3.020    1.220    1.220  
assign (resid  21 and name   HN)   (resid  21 and name  HB#)   2.430    0.630    0.630  
assign (resid  21 and name   HA)   (resid  32 and name   HN)   2.680    0.880    0.880  
assign (resid  22 and name   HN)   (resid  22 and name  HB2)   2.865    1.065    1.065  
assign (resid  22 and name   HN)   (resid  22 and name  HB1)   2.865    1.065    1.065  
assign (resid  19 and name   HA)   (resid  22 and name   HN)   3.205    1.405    1.405  
assign (resid  19 and name   HA)   (resid  21 and name   HN)   3.365    1.565    1.565  
assign (resid  21 and name   HN)   (resid  22 and name   HN)   2.765    0.965    0.965  
assign (resid  20 and name   HN)   (resid  21 and name   HN)   2.790    0.990    0.990  
assign (resid  21 and name   HN)   (resid  32 and name   HN)   3.650    1.850    1.850  
assign (resid  20 and name   HN)   (resid  20 and name  HB1)   2.805    1.005    1.005  
assign (resid  20 and name   HN)   (resid  20 and name  HB2)   2.805    1.005    1.005  
assign (resid  34 and name   HN)   (resid  35 and name   HN)   3.615    1.815    1.815  
assign (resid  35 and name   HN)   (resid  36 and name   HN)   3.650    1.850    1.850  
assign (resid  35 and name  HG2)   (resid  36 and name   HN)   3.650    1.850    1.850  
assign (resid  35 and name  HG1)   (resid  36 and name   HN)   3.650    1.850    1.850  
assign (resid  35 and name   HN)   (resid  35 and name  HG2)   3.650    1.850    1.850  
assign (resid  35 and name   HN)   (resid  35 and name  HG1)   3.650    1.850    1.850  
assign (resid  34 and name   HA)   (resid  35 and name   HN)   2.500    0.700    0.700  
assign (resid  37 and name   HN)   (resid  37 and name  HB1)   2.780    0.980    0.980  
assign (resid  37 and name   HN)   (resid  37 and name  HB2)   2.780    0.980    0.980  
assign (resid  37 and name   HN)   (resid  38 and name   HN)   3.045    1.245    1.245  
assign (resid  37 and name   HN)   (resid  37 and name  HD#)   3.410    1.610    1.610  
assign (resid  37 and name   HA)   (resid  37 and name  HD#)   2.780    0.980    0.980  
assign (resid  38 and name   HN)   (resid  38 and name  HG2)   3.205    1.405    1.405  
assign (resid  38 and name   HN)   (resid  38 and name  HG1)   3.205    1.405    1.405  
assign (resid  38 and name   HN)   (resid  38 and name  HB1)   2.980    1.180    1.180  
assign (resid  38 and name   HN)   (resid  38 and name  HB2)   2.980    1.180    1.180  
assign (resid  37 and name  HB1)   (resid  38 and name   HN)   3.105    1.305    1.305  
assign (resid  22 and name   HA)   (resid  25 and name   HN)   2.750    0.950    0.950  
assign (resid  38 and name   HN)   (resid  39 and name   HN)   2.840    1.040    1.040  
assign (resid  38 and name   HA)   (resid  39 and name   HN)   2.670    0.870    0.870  
assign (resid  39 and name  HB1)   (resid  39 and name   HE)   3.325    1.525    1.525  
assign (resid  39 and name  HB2)   (resid  39 and name   HE)   3.325    1.525    1.525  
assign (resid  39 and name   HN)   (resid  39 and name  HD2)   3.650    1.850    1.850  
assign (resid  39 and name   HN)   (resid  39 and name  HD1)   3.650    1.850    1.850  
assign (resid  39 and name   HA)   (resid  40 and name   HN)   2.595    0.795    0.795  
assign (resid  21 and name  HB#)   (resid  32 and name   HN)   2.725    0.925    0.925  
assign (resid  25 and name   HN)   (resid  27 and name   HN)   3.390    1.590    1.590  
assign (resid  30 and name  HG1)   (resid  31 and name   HN)   3.190    1.390    1.390  
assign (resid  24 and name  HB1)   (resid  31 and name   HN)   3.190    1.390    1.390  
assign (resid  24 and name  HB2)   (resid  31 and name   HN)   3.545    1.745    1.745  
assign (resid  31 and name   HN)   (resid  44 and name   HB)   3.170    1.370    1.370  
assign (resid  29 and name   HA)   (resid  31 and name   HN)   3.340    1.540    1.540  
assign (resid  31 and name   HN)   (resid  44 and name   HN)   3.225    1.425    1.425  
assign (resid  24 and name   HN)   (resid  24 and name  HB2)   2.630    0.830    0.830  
assign (resid  24 and name   HN)   (resid  24 and name  HB1)   2.845    1.045    1.045  
assign (resid  21 and name   HA)   (resid  24 and name   HN)   3.085    1.285    1.285  
assign (resid  20 and name   HA)   (resid  24 and name   HN)   3.300    1.500    1.500  
assign (resid  22 and name   HN)   (resid  24 and name   HN)   3.420    1.620    1.620  
assign (resid  21 and name   HA)   (resid  25 and name   HN)   3.320    1.520    1.520  
assign (resid  44 and name   HA)   (resid  45 and name HG2#)   3.110    1.310    1.310  
assign (resid  45 and name   HN)   (resid  45 and name HG2#)   2.725    0.925    0.925  
assign (resid  44 and name HG2#)   (resid  45 and name   HN)   2.760    0.960    0.960  
assign (resid   4 and name   HA)   (resid  45 and name   HN)   2.865    1.065    1.065  
assign (resid   7 and name   HN)   (resid   7 and name  HB1)   2.765    0.965    0.965  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.765    0.965    0.965  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.450    0.650    0.650  
assign (resid   6 and name  HG2)   (resid   7 and name   HN)   3.650    1.850    1.850  
assign (resid   6 and name  HG1)   (resid   7 and name   HN)   3.650    1.850    1.850  
assign (resid   6 and name   HN)   (resid   6 and name  HG2)   3.540    1.740    1.740  
assign (resid   6 and name   HN)   (resid   6 and name  HG1)   3.540    1.740    1.740  
assign (resid   5 and name  HB2)   (resid   6 and name   HN)   3.490    1.690    1.690  
assign (resid   5 and name  HB1)   (resid   6 and name   HN)   3.490    1.690    1.690  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.425    0.625    0.625  
assign (resid   6 and name   HN)   (resid  42 and name  HE#)   3.125    1.325    1.325  
assign (resid  10 and name  HD#)   (resid  24 and name   HN)   3.650    1.850    1.850  
assign (resid   6 and name   HN)   (resid  42 and name  HD#)   3.205    1.405    1.405  
assign (resid   5 and name   HN)   (resid   6 and name   HN)   3.465    1.665    1.665  
assign (resid   6 and name  HB2)   (resid   6 and name HE21)   3.650    1.850    1.850  
assign (resid   6 and name  HB1)   (resid   6 and name HE21)   3.650    1.850    1.850  
assign (resid   6 and name  HB2)   (resid   6 and name HE22)   3.650    1.850    1.850  
assign (resid   6 and name  HB1)   (resid   6 and name HE22)   3.650    1.850    1.850  
assign (resid  14 and name   HN)   (resid  15 and name   HN)   3.395    1.595    1.595  
assign (resid  44 and name   HA)   (resid  45 and name   HN)   2.365    0.565    0.565  
assign (resid  45 and name   HN)   (resid  46 and name   HN)   3.355    1.555    1.555  
assign (resid  29 and name  HD#)   (resid  45 and name HG2#)   2.850    1.050    1.050  
assign (resid   5 and name   HN)   (resid  45 and name HG2#)   2.900    1.100    1.100  
assign (resid  45 and name HG2#)   (resid  46 and name   HN)   2.910    1.110    1.110  
assign (resid   4 and name   HN)   (resid  45 and name HG2#)   3.245    1.445    1.445  
assign (resid  29 and name  HD#)   (resid  45 and name   HB)   2.800    1.000    1.000  
assign (resid  29 and name  HE#)   (resid  45 and name   HB)   2.950    1.150    1.150  
assign (resid  24 and name  HB2)   (resid  26 and name   HN)   3.650    1.850    1.850  
assign (resid  24 and name  HB2)   (resid  29 and name   HN)   3.650    1.850    1.850  
assign (resid  24 and name  HB1)   (resid  29 and name   HN)   3.315    1.515    1.515  
assign (resid  46 and name  HB2)   (resid  47 and name   HN)   3.440    1.640    1.640  
assign (resid  46 and name  HB1)   (resid  47 and name   HN)   3.440    1.640    1.640  
assign (resid  45 and name   HB)   (resid  46 and name   HN)   2.790    0.990    0.990  
assign (resid  29 and name  HD#)   (resid  46 and name   HN)   3.485    1.685    1.685  
assign (resid  34 and name   HA)   (resid  40 and name   HN)   3.385    1.585    1.585  
assign (resid  40 and name   HN)   (resid  42 and name  HE#)   3.165    1.365    1.365  
assign (resid  35 and name   HN)   (resid  39 and name   HA)   3.300    1.500    1.500  
assign (resid  34 and name  HB1)   (resid  35 and name   HN)   3.185    1.385    1.385  
assign (resid  34 and name  HB2)   (resid  35 and name   HN)   3.185    1.385    1.385  
assign (resid  35 and name   HN)   (resid  42 and name  HD#)   3.020    1.220    1.220  
assign (resid  35 and name   HN)   (resid  42 and name  HE#)   3.440    1.640    1.640  
assign (resid  35 and name   HN)   (resid  40 and name   HN)   2.875    1.075    1.075  
assign (resid  41 and name  HB1)   (resid  42 and name   HN)   3.345    1.545    1.545  
assign (resid  41 and name  HB2)   (resid  42 and name   HN)   3.345    1.545    1.545  
assign (resid  41 and name   HA)   (resid  42 and name   HN)   2.505    0.705    0.705  
assign (resid  40 and name   HN)   (resid  41 and name   HN)   3.440    1.640    1.640  
assign (resid  40 and name   HA)   (resid  41 and name   HN)   2.520    0.720    0.720  
assign (resid  41 and name   HN)   (resid  41 and name  HB2)   2.805    1.005    1.005  
assign (resid  40 and name  HB2)   (resid  41 and name   HN)   3.140    1.340    1.340  
assign (resid  41 and name   HN)   (resid  41 and name  HB1)   2.805    1.005    1.005  
assign (resid  40 and name  HB1)   (resid  41 and name   HN)   3.140    1.340    1.340  
assign (resid  33 and name   HN)   (resid  34 and name   HN)   3.440    1.640    1.640  
assign (resid  46 and name   HA)   (resid  47 and name   HN)   2.425    0.625    0.625  
assign (resid  24 and name  HB1)   (resid  29 and name  HD#)   3.075    1.275    1.275  
assign (resid  37 and name  HB2)   (resid  38 and name   HN)   3.105    1.305    1.305  
assign (resid  42 and name  HB2)   (resid  43 and name   HN)   3.030    1.230    1.230  
assign (resid   5 and name   HA)   (resid  42 and name  HE#)   3.230    1.430    1.430  
assign (resid  24 and name   HA)   (resid  29 and name  HE#)   3.545    1.745    1.745  
assign (resid  40 and name   HN)   (resid  42 and name  HD#)   3.425    1.625    1.625  
assign (resid  14 and name   HN)   (resid  40 and name   HN)   3.620    1.820    1.820  
assign (resid  19 and name  HB2)   (resid  20 and name   HN)   3.095    1.295    1.295  
assign (resid  19 and name  HB1)   (resid  20 and name   HN)   3.095    1.295    1.295  
assign (resid  40 and name  HB2)   (resid  42 and name  HE#)   2.705    0.905    0.905  
assign (resid  33 and name  HB1)   (resid  34 and name   HN)   2.875    1.075    1.075  
assign (resid  42 and name   HN)   (resid  42 and name  HB2)   2.950    1.150    1.150  
assign (resid  42 and name   HN)   (resid  42 and name  HB1)   2.950    1.150    1.150  
assign (resid  10 and name  HB1)   (resid  41 and name   HN)   3.270    1.470    1.470  
assign (resid  23 and name   HA)   (resid  25 and name   HN)   3.350    1.550    1.550  
assign (resid  23 and name   HA)   (resid  26 and name HG2#)   2.825    1.025    1.025  
assign (resid  10 and name  HB2)   (resid  23 and name   HB)   3.350    1.550    1.550  
assign (resid   4 and name   HA)   (resid  44 and name HG2#)   3.225    1.425    1.425  
assign (resid   4 and name   HA)   (resid  45 and name HG2#)   2.935    1.135    1.135  
assign (resid  24 and name  HB2)   (resid  43 and name   HA)   3.410    1.610    1.610  
assign (resid  26 and name   HA)   (resid  26 and name HG2#)   2.575    0.775    0.775  
assign (resid  40 and name  HB1)   (resid  42 and name  HE#)   2.705    0.905    0.905  
assign (resid  35 and name  HG2)   (resid  42 and name  HE#)   3.475    1.675    1.675  
assign (resid  35 and name  HG1)   (resid  42 and name  HE#)   3.475    1.675    1.675  
assign (resid   4 and name  HB2)   (resid  42 and name  HD#)   2.965    1.165    1.165  
assign (resid   4 and name  HB1)   (resid  42 and name  HD#)   2.965    1.165    1.165  
assign (resid   6 and name  HG2)   (resid  42 and name  HE#)   3.650    1.850    1.850  
assign (resid   6 and name  HG1)   (resid  42 and name  HE#)   3.650    1.850    1.850  
assign (resid   6 and name   HA)   (resid  42 and name  HE#)   3.135    1.335    1.335  
assign (resid   5 and name  HB2)   (resid  42 and name  HD#)   3.650    1.850    1.850  
assign (resid   5 and name  HB1)   (resid  42 and name  HD#)   3.650    1.850    1.850  
assign (resid  42 and name   HA)   (resid  42 and name  HD#)   2.885    1.085    1.085  
assign (resid   4 and name   HA)   (resid  42 and name  HD#)   3.430    1.630    1.630  
assign (resid  10 and name  HE#)   (resid  14 and name   HA)   2.820    1.020    1.020  
assign (resid  10 and name  HD#)   (resid  14 and name   HA)   3.270    1.470    1.470  
assign (resid  10 and name  HE#)   (resid  13 and name   HA)   3.310    1.510    1.510  
assign (resid  10 and name  HD#)   (resid  23 and name   HA)   3.535    1.735    1.735  
assign (resid  10 and name  HE#)   (resid  19 and name  HB1)   3.105    1.305    1.305  
assign (resid  10 and name  HD#)   (resid  23 and name   HB)   2.640    0.840    0.840  
assign (resid  10 and name  HE#)   (resid  23 and name   HB)   3.065    1.265    1.265  
assign (resid  10 and name  HD#)   (resid  23 and name HG2#)   2.660    0.860    0.860  
assign (resid  10 and name  HE#)   (resid  23 and name HG2#)   3.390    1.590    1.590  
assign (resid  15 and name   HA)   (resid  15 and name HD1#)   3.065    1.265    1.265  
assign (resid  15 and name  HB2)   (resid  15 and name HD1#)   2.830    1.030    1.030  
assign (resid  15 and name  HB2)   (resid  15 and name HD2#)   2.830    1.030    1.030  
assign (resid  15 and name  HB1)   (resid  15 and name HD1#)   2.830    1.030    1.030  
assign (resid  23 and name   HA)   (resid  23 and name HG2#)   2.640    0.840    0.840  
assign (resid  23 and name HG2#)   (resid  26 and name HG2#)   3.650    1.850    1.850  
assign (resid   9 and name  HG2)   (resid  23 and name HG1#)   3.650    1.850    1.850  
assign (resid   9 and name  HG1)   (resid  23 and name HG1#)   3.650    1.850    1.850  
assign (resid  23 and name HG1#)   (resid  26 and name HG2#)   3.650    1.850    1.850  
assign (resid  21 and name   HA)   (resid  24 and name  HB2)   2.805    1.005    1.005  
assign (resid  37 and name   HA)   (resid  37 and name  HE#)   3.460    1.660    1.660  
assign (resid  38 and name   HA)   (resid  38 and name  HD2)   3.555    1.755    1.755  
assign (resid  38 and name   HA)   (resid  38 and name  HD1)   3.555    1.755    1.755  
assign (resid  39 and name   HA)   (resid  39 and name  HD2)   3.450    1.650    1.650  
assign (resid  39 and name   HA)   (resid  39 and name  HD1)   3.450    1.650    1.650  
assign (resid  29 and name  HE#)   (resid  45 and name   HA)   3.320    1.520    1.520  
assign (resid  24 and name   HA)   (resid  29 and name  HD#)   2.875    1.075    1.075  
assign (resid  25 and name   HA)   (resid  25 and name  HD2)   3.650    1.850    1.850  
assign (resid  25 and name   HA)   (resid  25 and name  HD1)   3.650    1.850    1.850  
assign (resid  25 and name   HA)   (resid  25 and name  HG2)   3.025    1.225    1.225  
assign (resid  25 and name   HA)   (resid  25 and name  HG1)   3.025    1.225    1.225  
assign (resid  45 and name   HA)   (resid  45 and name HG2#)   2.790    0.990    0.990  
assign (resid  29 and name  HE#)   (resid  45 and name HG2#)   2.840    1.040    1.040  
assign (resid   4 and name  HG2)   (resid  44 and name HG2#)   3.300    1.500    1.500  
assign (resid   4 and name  HG1)   (resid  44 and name HG2#)   3.300    1.500    1.500  
assign (resid  22 and name   HA)   (resid  25 and name  HB2)   3.035    1.235    1.235  
assign (resid  22 and name   HA)   (resid  25 and name  HB1)   3.035    1.235    1.235  
assign (resid   3 and name   HN)   (resid   3 and name  HB#)   2.630    0.830    0.830  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   2.545    0.745    0.745  
assign (resid   3 and name  HB#)   (resid  45 and name   HN)   3.370    1.570    1.570  
assign (resid   3 and name  HB#)   (resid  45 and name HG2#)   2.960    1.160    1.160  
assign (resid   3 and name  HB#)   (resid  47 and name   HN)   3.225    1.425    1.425  
assign (resid   3 and name  HB#)   (resid  47 and name   HA)   3.115    1.315    1.315  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.720    0.920    0.920  
assign (resid   4 and name   HN)   (resid   4 and name  HG#)   2.795    0.995    0.995  
assign (resid   4 and name   HA)   (resid   5 and name  HB#)   3.285    1.485    1.485  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   2.910    1.110    1.110  
assign (resid   4 and name  HB#)   (resid  42 and name  HB#)   2.835    1.035    1.035  
assign (resid   4 and name  HB#)   (resid  42 and name  HD#)   2.700    0.900    0.900  
assign (resid   4 and name  HB#)   (resid  42 and name  HE#)   3.365    1.565    1.565  
assign (resid   4 and name  HG#)   (resid  42 and name  HB#)   3.325    1.525    1.525  
assign (resid   4 and name  HG#)   (resid  42 and name  HD#)   3.105    1.305    1.305  
assign (resid   4 and name  HG#)   (resid  44 and name HG2#)   2.995    1.195    1.195  
assign (resid   4 and name HE2#)   (resid  44 and name HG2#)   3.240    1.440    1.440  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.675    0.875    0.875  
assign (resid   5 and name   HN)   (resid  42 and name  HB#)   3.210    1.410    1.410  
assign (resid   5 and name  HB#)   (resid  29 and name  HE#)   3.045    1.245    1.245  
assign (resid   5 and name  HB#)   (resid  43 and name   HN)   3.315    1.515    1.515  
assign (resid   5 and name  HB#)   (resid  45 and name HG2#)   2.825    1.025    1.025  
assign (resid   6 and name   HN)   (resid   6 and name  HB#)   2.440    0.640    0.640  
assign (resid   6 and name   HN)   (resid   6 and name  HG#)   3.160    1.360    1.360  
assign (resid   6 and name   HA)   (resid  42 and name  HB#)   3.445    1.645    1.645  
assign (resid   6 and name  HB#)   (resid   6 and name HE2#)   2.915    1.115    1.115  
assign (resid   6 and name  HB#)   (resid   7 and name   HN)   2.765    0.965    0.965  
assign (resid   6 and name  HB#)   (resid  42 and name  HE#)   2.455    0.655    0.655  
assign (resid   6 and name  HG#)   (resid   7 and name   HN)   3.280    1.480    1.480  
assign (resid   7 and name   HN)   (resid   7 and name  HB#)   2.490    0.690    0.690  
assign (resid   7 and name  HB#)   (resid   9 and name   HN)   3.550    1.750    1.750  
assign (resid   7 and name  HB#)   (resid  10 and name   HN)   3.005    1.205    1.205  
assign (resid   7 and name  HB#)   (resid  10 and name  HB2)   2.940    1.140    1.140  
assign (resid   7 and name  HB#)   (resid  10 and name  HB1)   3.070    1.270    1.270  
assign (resid   7 and name  HB#)   (resid  10 and name  HD#)   3.290    1.490    1.490  
assign (resid   7 and name  HB#)   (resid  41 and name  HB#)   2.795    0.995    0.995  
assign (resid   8 and name   HN)   (resid   8 and name  HB#)   2.680    0.880    0.880  
assign (resid   8 and name  HB#)   (resid   8 and name  HD2)   2.595    0.795    0.795  
assign (resid   8 and name  HB#)   (resid   9 and name   HN)   2.830    1.030    1.030  
assign (resid   8 and name  HB#)   (resid  23 and name  HG*)   3.540    1.740    1.740  
assign (resid   9 and name   HN)   (resid   9 and name  HG#)   2.665    0.865    0.865  
assign (resid   9 and name   HN)   (resid  23 and name  HG*)   3.120    1.320    1.320  
assign (resid   9 and name   HA)   (resid   9 and name  HG#)   2.710    0.910    0.910  
assign (resid   9 and name   HA)   (resid   9 and name  HD#)   3.175    1.375    1.375  
assign (resid   9 and name   HA)   (resid  23 and name  HG*)   3.620    1.820    1.820  
assign (resid   9 and name  HB#)   (resid  10 and name   HN)   3.115    1.315    1.315  
assign (resid   9 and name  HB#)   (resid  23 and name  HG*)   2.925    1.125    1.125  
assign (resid   9 and name  HG#)   (resid  10 and name   HN)   3.210    1.410    1.410  
assign (resid   9 and name  HG#)   (resid  23 and name  HG*)   2.840    1.040    1.040  
assign (resid   9 and name  HD#)   (resid  23 and name  HG*)   2.940    1.140    1.140  
assign (resid   9 and name  HD#)   (resid  27 and name   HA)   3.570    1.770    1.770  
assign (resid   9 and name  HD#)   (resid  27 and name  HB#)   2.965    1.165    1.165  
assign (resid   9 and name  HD#)   (resid  27 and name  HG#)   3.205    1.405    1.405  
assign (resid  10 and name   HN)   (resid  23 and name  HG*)   2.805    1.005    1.005  
assign (resid  10 and name   HA)   (resid  23 and name  HG*)   2.610    0.810    0.810  
assign (resid  10 and name  HB2)   (resid  23 and name  HG*)   2.590    0.790    0.790  
assign (resid  10 and name  HB2)   (resid  41 and name  HB#)   3.095    1.295    1.295  
assign (resid  10 and name  HB1)   (resid  41 and name  HB#)   3.210    1.410    1.410  
assign (resid  10 and name  HD#)   (resid  11 and name  HG#)   3.405    1.605    1.605  
assign (resid  10 and name  HD#)   (resid  14 and name  HB#)   3.450    1.650    1.650  
assign (resid  10 and name  HD#)   (resid  19 and name  HB#)   3.245    1.445    1.445  
assign (resid  10 and name  HD#)   (resid  20 and name  HB#)   3.330    1.530    1.530  
assign (resid  10 and name  HD#)   (resid  23 and name  HG*)   2.390    0.590    0.590  
assign (resid  10 and name  HE#)   (resid  11 and name  HG#)   3.570    1.770    1.770  
assign (resid  10 and name  HE#)   (resid  14 and name  HB#)   2.950    1.150    1.150  
assign (resid  10 and name  HE#)   (resid  19 and name  HB#)   2.780    0.980    0.980  
assign (resid  10 and name  HE#)   (resid  20 and name  HB#)   3.075    1.275    1.275  
assign (resid  10 and name  HE#)   (resid  23 and name  HG*)   2.745    0.945    0.945  
assign (resid  10 and name  HE#)   (resid  41 and name  HB#)   3.000    1.200    1.200  
assign (resid  11 and name   HN)   (resid  11 and name  HG#)   2.665    0.865    0.865  
assign (resid  11 and name   HN)   (resid  23 and name  HG*)   3.260    1.460    1.460  
assign (resid  11 and name   HA)   (resid  11 and name  HD#)   2.985    1.185    1.185  
assign (resid  11 and name  HB#)   (resid  12 and name   HN)   2.910    1.110    1.110  
assign (resid  11 and name  HG#)   (resid  12 and name   HN)   3.350    1.550    1.550  
assign (resid  12 and name  HA#)   (resid  13 and name  HD#)   2.320    0.520    0.520  
assign (resid  13 and name   HA)   (resid  39 and name  HB#)   3.015    1.215    1.215  
assign (resid  13 and name  HB#)   (resid  14 and name   HN)   2.890    1.090    1.090  
assign (resid  13 and name  HB#)   (resid  15 and name  HD#)   3.035    1.235    1.235  
assign (resid  14 and name   HN)   (resid  14 and name  HB#)   2.630    0.830    0.830  
assign (resid  14 and name   HN)   (resid  39 and name  HB#)   2.880    1.080    1.080  
assign (resid  14 and name  HB#)   (resid  41 and name   HN)   3.185    1.385    1.385  
assign (resid  15 and name   HN)   (resid  15 and name  HB#)   2.540    0.740    0.740  
assign (resid  15 and name   HA)   (resid  15 and name  HD#)   2.450    0.650    0.650  
assign (resid  15 and name  HB#)   (resid  15 and name  HD#)   2.290    0.490    0.490  
assign (resid  15 and name  HB#)   (resid  16 and name   HN)   2.695    0.895    0.895  
assign (resid  15 and name  HD#)   (resid  39 and name  HB#)   3.095    1.295    1.295  
assign (resid  15 and name  HD#)   (resid  39 and name  HD#)   2.810    1.010    1.010  
assign (resid  16 and name   HN)   (resid  16 and name  HB#)   2.645    0.845    0.845  
assign (resid  16 and name   HN)   (resid  16 and name  HG#)   3.130    1.330    1.330  
assign (resid  16 and name  HB#)   (resid  16 and name  HD#)   2.560    0.760    0.760  
assign (resid  19 and name   HA)   (resid  19 and name HD2#)   3.045    1.245    1.245  
assign (resid  19 and name  HB#)   (resid  19 and name HD2#)   2.510    0.710    0.710  
assign (resid  19 and name  HB#)   (resid  22 and name   HN)   3.570    1.770    1.770  
assign (resid  19 and name  HB#)   (resid  23 and name  HG*)   3.235    1.435    1.435  
assign (resid  20 and name   HA)   (resid  23 and name  HG*)   3.085    1.285    1.285  
assign (resid  20 and name  HB#)   (resid  21 and name   HN)   2.745    0.945    0.945  
assign (resid  21 and name   HA)   (resid  31 and name  HA#)   3.430    1.630    1.630  
assign (resid  21 and name   HA)   (resid  32 and name  HA#)   2.965    1.165    1.165  
assign (resid  21 and name  HB#)   (resid  31 and name  HA#)   2.860    1.060    1.060  
assign (resid  22 and name   HN)   (resid  22 and name  HB#)   2.585    0.785    0.785  
assign (resid  22 and name   HN)   (resid  22 and name HD2#)   3.260    1.460    1.460  
assign (resid  22 and name   HA)   (resid  22 and name HD2#)   3.050    1.250    1.250  
assign (resid  22 and name   HA)   (resid  25 and name  HB#)   2.775    0.975    0.975  
assign (resid  22 and name  HB#)   (resid  23 and name   HN)   2.800    1.000    1.000  
assign (resid  23 and name   HN)   (resid  23 and name  HG*)   2.555    0.755    0.755  
assign (resid  23 and name   HA)   (resid  23 and name  HG*)   2.380    0.580    0.580  
assign (resid  23 and name  HG*)   (resid  24 and name   HN)   2.820    1.020    1.020  
assign (resid  23 and name  HG*)   (resid  24 and name   HA)   3.240    1.440    1.440  
assign (resid  23 and name  HG*)   (resid  24 and name  HB2)   3.620    1.820    1.820  
assign (resid  23 and name  HG*)   (resid  26 and name   HN)   3.500    1.700    1.700  
assign (resid  23 and name  HG*)   (resid  26 and name HG2#)   3.180    1.380    1.380  
assign (resid  23 and name  HG*)   (resid  27 and name   HN)   3.400    1.600    1.600  
assign (resid  23 and name  HG*)   (resid  27 and name   HA)   3.620    1.820    1.820  
assign (resid  23 and name  HG*)   (resid  27 and name  HB#)   3.250    1.450    1.450  
assign (resid  23 and name  HG*)   (resid  27 and name  HG#)   3.045    1.245    1.245  
assign (resid  24 and name   HA)   (resid  27 and name  HG#)   2.990    1.190    1.190  
assign (resid  24 and name  HB2)   (resid  29 and name  HB#)   3.090    1.290    1.290  
assign (resid  24 and name  HB1)   (resid  29 and name  HB#)   3.030    1.230    1.230  
assign (resid  24 and name  HB1)   (resid  43 and name  HB#)   3.250    1.450    1.450  
assign (resid  25 and name   HN)   (resid  25 and name  HB#)   2.485    0.685    0.685  
assign (resid  25 and name   HA)   (resid  25 and name  HG#)   2.755    0.955    0.955  
assign (resid  25 and name   HA)   (resid  25 and name  HD#)   3.270    1.470    1.470  
assign (resid  25 and name  HB#)   (resid  25 and name  HD#)   2.550    0.750    0.750  
assign (resid  27 and name   HN)   (resid  27 and name  HG#)   2.465    0.665    0.665  
assign (resid  27 and name   HA)   (resid  27 and name  HG#)   2.560    0.760    0.760  
assign (resid  29 and name   HN)   (resid  29 and name  HB#)   2.625    0.825    0.825  
assign (resid  29 and name   HA)   (resid  30 and name  HD#)   2.485    0.685    0.685  
assign (resid  29 and name  HB#)   (resid  30 and name  HD#)   2.920    1.120    1.120  
assign (resid  29 and name  HB#)   (resid  31 and name   HN)   2.895    1.095    1.095  
assign (resid  29 and name  HB#)   (resid  45 and name HG2#)   3.570    1.770    1.770  
assign (resid  29 and name  HD#)   (resid  30 and name  HD#)   2.815    1.015    1.015  
assign (resid  29 and name  HD#)   (resid  43 and name  HB#)   2.875    1.075    1.075  
assign (resid  29 and name  HE#)   (resid  30 and name  HD#)   3.245    1.445    1.445  
assign (resid  30 and name  HG#)   (resid  31 and name   HN)   2.795    0.995    0.995  
assign (resid  30 and name  HG#)   (resid  44 and name   HB)   3.135    1.335    1.335  
assign (resid  30 and name  HG#)   (resid  44 and name HG2#)   3.360    1.560    1.560  
assign (resid  30 and name  HD#)   (resid  31 and name   HN)   2.735    0.935    0.935  
assign (resid  30 and name  HD#)   (resid  45 and name   HA)   3.230    1.430    1.430  
assign (resid  30 and name  HD#)   (resid  45 and name   HB)   3.285    1.485    1.485  
assign (resid  32 and name  HA#)   (resid  43 and name   HA)   3.190    1.390    1.390  
assign (resid  32 and name  HA#)   (resid  44 and name   HN)   3.135    1.335    1.335  
assign (resid  33 and name   HN)   (resid  33 and name  HG#)   3.235    1.435    1.435  
assign (resid  33 and name   HN)   (resid  33 and name  HD#)   3.265    1.465    1.465  
assign (resid  33 and name  HB#)   (resid  33 and name  HD#)   2.555    0.755    0.755  
assign (resid  33 and name  HB#)   (resid  33 and name   HE)   3.275    1.475    1.475  
assign (resid  33 and name  HB#)   (resid  34 and name   HN)   2.555    0.755    0.755  
assign (resid  34 and name   HN)   (resid  34 and name  HB#)   2.615    0.815    0.815  
assign (resid  34 and name  HB#)   (resid  35 and name   HN)   2.795    0.995    0.995  
assign (resid  35 and name   HN)   (resid  35 and name  HB#)   2.720    0.920    0.920  
assign (resid  35 and name   HN)   (resid  35 and name  HG#)   3.260    1.460    1.460  
assign (resid  35 and name  HB#)   (resid  36 and name   HN)   2.990    1.190    1.190  
assign (resid  35 and name  HB#)   (resid  42 and name  HD#)   2.850    1.050    1.050  
assign (resid  35 and name  HG#)   (resid  36 and name   HN)   3.230    1.430    1.430  
assign (resid  35 and name  HG#)   (resid  42 and name  HE#)   3.110    1.310    1.310  
assign (resid  35 and name  HD#)   (resid  42 and name  HE#)   3.480    1.680    1.680  
assign (resid  37 and name   HN)   (resid  37 and name  HB#)   2.540    0.740    0.740  
assign (resid  37 and name  HB#)   (resid  38 and name   HN)   2.810    1.010    1.010  
assign (resid  37 and name  HB#)   (resid  39 and name   HN)   3.570    1.770    1.770  
assign (resid  37 and name  HD#)   (resid  38 and name  HG#)   3.070    1.270    1.270  
assign (resid  37 and name  HE#)   (resid  38 and name  HG#)   3.570    1.770    1.770  
assign (resid  38 and name   HN)   (resid  38 and name  HB#)   2.650    0.850    0.850  
assign (resid  38 and name   HN)   (resid  38 and name  HG#)   2.800    1.000    1.000  
assign (resid  38 and name   HA)   (resid  38 and name  HG#)   2.760    0.960    0.960  
assign (resid  38 and name   HA)   (resid  38 and name  HD#)   3.190    1.390    1.390  
assign (resid  39 and name   HA)   (resid  39 and name  HG#)   2.635    0.835    0.835  
assign (resid  39 and name  HB#)   (resid  39 and name  HD#)   2.515    0.715    0.715  
assign (resid  39 and name  HB#)   (resid  39 and name   HE)   2.985    1.185    1.185  
assign (resid  40 and name   HN)   (resid  40 and name  HB#)   2.570    0.770    0.770  
assign (resid  40 and name  HB#)   (resid  41 and name   HN)   2.850    1.050    1.050  
assign (resid  40 and name  HB#)   (resid  42 and name  HE#)   2.410    0.610    0.610  
assign (resid  40 and name  HG#)   (resid  41 and name   HN)   3.320    1.520    1.520  
assign (resid  41 and name   HN)   (resid  41 and name  HB#)   2.540    0.740    0.740  
assign (resid  41 and name  HB#)   (resid  42 and name   HN)   3.010    1.210    1.210  
assign (resid  42 and name   HN)   (resid  42 and name  HB#)   2.595    0.795    0.795  
assign (resid  42 and name  HB#)   (resid  43 and name   HN)   2.755    0.955    0.955  
assign (resid  43 and name   HN)   (resid  43 and name  HB#)   2.580    0.780    0.780  
assign (resid  43 and name  HB#)   (resid  44 and name   HN)   2.885    1.085    1.085  
assign (resid  46 and name   HN)   (resid  46 and name  HB#)   2.485    0.685    0.685  
assign (resid  46 and name  HB#)   (resid  47 and name   HN)   3.125    1.325    1.325  
assign (resid  47 and name   HN)   (resid  47 and name  HB#)   2.630    0.830    0.830  
!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 -105.0   30.0 2
assign (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    ) (resid 3     and name N    )    1.0  140.0   30.0 2
assign (resid 2     and name C    ) (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    )    1.0  -80.0   60.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0  130.0   40.0 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0 -130.0   30.0 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0  150.0   30.0 2
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0 -130.0   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  140.0   30.0 2
assign (resid 6     and name C    ) (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    )    1.0  -75.0   30.0 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    ) (resid 8     and name N    )    1.0  130.0   40.0 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0  -70.0   30.0 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0  135.0   25.0 2
assign (resid 10    and name C    ) (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    )    1.0 -100.0   40.0 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    ) (resid 12    and name N    )    1.0  140.0   30.0 2
assign (resid 13    and name C    ) (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    )    1.0  -70.0   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  -20.0   30.0 2
assign (resid 14    and name C    ) (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    )    1.0 -100.0   80.0 2
assign (resid 15    and name C    ) (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    )    1.0 -100.0   80.0 2
assign (resid 17    and name C    ) (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name C    )    1.0  -60.0   20.0 2
assign (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name C    ) (resid 19    and name N    )    1.0  -30.0   20.0 2
assign (resid 18    and name C    ) (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    )    1.0  -70.0   30.0 2
assign (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    ) (resid 20    and name N    )    1.0  -30.0   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   20.0 2
assign (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    ) (resid 21    and name N    )    1.0  -35.0   20.0 2
assign (resid 20    and name C    ) (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    )    1.0  -65.0   20.0 2
assign (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    ) (resid 22    and name N    )    1.0  -40.0   20.0 2
assign (resid 21    and name C    ) (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    )    1.0  -65.0   20.0 2
assign (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    ) (resid 23    and name N    )    1.0  -40.0   20.0 2
assign (resid 22    and name C    ) (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    )    1.0  -65.0   20.0 2
assign (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    ) (resid 24    and name N    )    1.0  -40.0   20.0 2
assign (resid 23    and name C    ) (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    )    1.0  -65.0   20.0 2
assign (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    ) (resid 25    and name N    )    1.0  -40.0   20.0 2
assign (resid 24    and name C    ) (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    )    1.0  -65.0   20.0 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   20.0 2
assign (resid 25    and name C    ) (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    )    1.0  -70.0   20.0 2
assign (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    ) (resid 27    and name N    )    1.0  -20.0   20.0 2
assign (resid 26    and name C    ) (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name C    )    1.0  -90.0   20.0 2
assign (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name C    ) (resid 28    and name N    )    1.0    0.0   20.0 2
assign (resid 28    and name C    ) (resid 29    and name N    ) (resid 29    and name CA   ) (resid 29    and name C    )    1.0  -90.0   30.0 2
assign (resid 29    and name N    ) (resid 29    and name CA   ) (resid 29    and name C    ) (resid 30    and name N    )    1.0  140.0   30.0 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   40.0 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   40.0 2
assign (resid 33    and name C    ) (resid 34    and name N    ) (resid 34    and name CA   ) (resid 34    and name C    )    1.0  -90.0   30.0 2
assign (resid 34    and name N    ) (resid 34    and name CA   ) (resid 34    and name C    ) (resid 35    and name N    )    1.0  120.0   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   30.0 2
assign (resid 36    and name N    ) (resid 36    and name CA   ) (resid 36    and name C    ) (resid 37    and name N    )    1.0  150.0   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  -65.0   30.0 2
assign (resid 37    and name N    ) (resid 37    and name CA   ) (resid 37    and name C    ) (resid 38    and name N    )    1.0  -20.0   30.0 2
assign (resid 37    and name C    ) (resid 38    and name N    ) (resid 38    and name CA   ) (resid 38    and name C    )    1.0  -85.0   30.0 2
assign (resid 38    and name N    ) (resid 38    and name CA   ) (resid 38    and name C    ) (resid 39    and name N    )    1.0    0.0   30.0 2
assign (resid 39    and name C    ) (resid 40    and name N    ) (resid 40    and name CA   ) (resid 40    and name C    )    1.0 -120.0   30.0 2
assign (resid 40    and name N    ) (resid 40    and name CA   ) (resid 40    and name C    ) (resid 41    and name N    )    1.0  150.0   30.0 2
assign (resid 41    and name C    ) (resid 42    and name N    ) (resid 42    and name CA   ) (resid 42    and name C    )    1.0 -120.0   30.0 2
assign (resid 42    and name N    ) (resid 42    and name CA   ) (resid 42    and name C    ) (resid 43    and name N    )    1.0  130.0   30.0 2
assign (resid 42    and name C    ) (resid 43    and name N    ) (resid 43    and name CA   ) (resid 43    and name C    )    1.0  -95.0   30.0 2
assign (resid 43    and name N    ) (resid 43    and name CA   ) (resid 43    and name C    ) (resid 44    and name N    )    1.0  120.0   30.0 2
assign (resid 43    and name C    ) (resid 44    and name N    ) (resid 44    and name CA   ) (resid 44    and name C    )    1.0 -100.0   50.0 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 44    and name C    ) (resid 45    and name N    ) (resid 45    and name CA   ) (resid 45    and name C    )    1.0 -130.0   20.0 2
assign (resid 45    and name N    ) (resid 45    and name CA   ) (resid 45    and name C    ) (resid 46    and name N    )    1.0  150.0   25.0 2
assign (resid 45    and name C    ) (resid 46    and name N    ) (resid 46    and name CA   ) (resid 46    and name C    )    1.0  -80.0   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 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 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name CB   ) (resid 4     and name CG   )    1.0  -60.0   30.0 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name CB   ) (resid 8     and name CG   )    1.0 -120.0   90.0 2
assign (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name CB   ) (resid 24    and name SG   )    1.0  -60.0   30.0 2
assign (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name CB   ) (resid 25    and name CG   )    1.0  180.0   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 34    and name N    ) (resid 34    and name CA   ) (resid 34    and name CB   ) (resid 34    and name SG   )    1.0  -60.0   30.0 2
assign (resid 38    and name N    ) (resid 38    and name CA   ) (resid 38    and name CB   ) (resid 38    and name CG   )    1.0  -30.0   60.0 2
assign (resid 41    and name N    ) (resid 41    and name CA   ) (resid 41    and name CB   ) (resid 41    and name SG   )    1.0  180.0   30.0 2
assign (resid 42    and name N    ) (resid 42    and name CA   ) (resid 42    and name CB   ) (resid 42    and name CG   )    1.0  -60.0   30.0 2
assign (resid 43    and name N    ) (resid 43    and name CA   ) (resid 43    and name CB   ) (resid 43    and name SG   )    1.0  -60.0   30.0 2
assign (resid 47    and name N    ) (resid 47    and name CA   ) (resid 47    and name CB   ) (resid 47    and name SG   )    1.0 -120.0   90.0 2
!hbond restraints
assign (resid 22 and name HN)(resid 18 and name O) 0 0 2
assign (resid 22 and name N)(resid 18 and name O) 0 0 3
assign (resid 24 and name HN)(resid 20 and name O) 0 0 2
assign (resid 24 and name N)(resid 20 and name O) 0 0 3
assign (resid 25 and name HN)(resid 21 and name O) 0 0 2
assign (resid 25 and name N)(resid 21 and name O) 0 0 3
assign (resid 26 and name HN)(resid 22 and name O) 0 0 2
assign (resid 26 and name N)(resid 22 and name O) 0 0 3
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 29 and name HN)(resid 24 and name O) 0 0 2
assign (resid 29 and name N)(resid 24 and name O) 0 0 3
assign (resid 33 and name HN)(resid 42 and name O) 0 0 2
assign (resid 33 and name N)(resid 42 and name O) 0 0 3
assign (resid 42 and name HN)(resid 33 and name O) 0 0 2
assign (resid 42 and name N)(resid 33 and name O) 0 0 3
assign (resid 43 and name HN)(resid 5 and name O) 0 0 2
assign (resid 43 and name N)(resid 5 and name O) 0 0 3
assign (resid 45 and name HN)(resid 3 and name O) 0 0 2
assign (resid 45 and name N)(resid 3 and name O) 0 0 3
assign (resid 5 and name HN)(resid 43 and name O) 0 0 2
assign (resid 5 and name N)(resid 43 and name O) 0 0 3
assign (resid 44 and name HN)(resid 31 and name O) 0 0 2
assign (resid 44 and name N)(resid 31 and name O) 0 0 3
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1          1HT       ARG   1  -8.448 -12.764  -7.149
    2    H2   ARG   1          2HT       ARG   1 -10.061 -13.197  -7.080
    3    H3   ARG   1          3HT       ARG   1  -9.193 -12.973  -5.648
    4    HA   ARG   1           HA       ARG   1  -9.853 -10.881  -7.652
    5    HB2  ARG   1          2HB       ARG   1 -10.815 -11.354  -4.827
    6    HB3  ARG   1          1HB       ARG   1 -11.065  -9.851  -5.695
    7    HG2  ARG   1          2HG       ARG   1 -12.425 -11.031  -7.341
    8    HG3  ARG   1          1HG       ARG   1 -12.142 -12.549  -6.485
    9    HD2  ARG   1          2HD       ARG   1 -13.460 -10.116  -5.293
   10    HD3  ARG   1          1HD       ARG   1 -14.321 -11.519  -5.923
   11    HE   ARG   1           HE       ARG   1 -12.978 -12.801  -4.206
   12   HH11  ARG   1          1HH1      ARG   1 -13.920  -9.416  -3.630
   13   HH12  ARG   1          2HH1      ARG   1 -14.023  -9.610  -1.949
   14   HH21  ARG   1          1HH2      ARG   1 -13.103 -13.018  -1.933
   15   HH22  ARG   1          2HH2      ARG   1 -13.550 -11.703  -0.936
   16    H    THR   2           HN       THR   2  -9.023  -8.794  -7.155
   17    HA   THR   2           HA       THR   2  -6.662  -8.866  -5.490
   18    HB   THR   2           HB       THR   2  -6.489  -6.477  -6.590
   19    HG1  THR   2          1HG       THR   2  -8.024  -6.107  -7.984
   20   HG21  THR   2          1HG2      THR   2  -4.922  -8.330  -6.983
   21   HG22  THR   2          2HG2      THR   2  -5.267  -7.470  -8.480
   22   HG23  THR   2          3HG2      THR   2  -6.033  -9.028  -8.162
   23    H    CYS   3           HN       CYS   3  -6.699  -8.005  -3.531
   24    HA   CYS   3           HA       CYS   3  -8.843  -6.113  -2.900
   25    HB2  CYS   3          2HB       CYS   3  -7.599  -8.245  -1.169
   26    HB3  CYS   3          1HB       CYS   3  -8.825  -7.100  -0.615
   27    H    GLN   4           HN       GLN   4  -8.131  -4.254  -2.145
   28    HA   GLN   4           HA       GLN   4  -5.299  -4.055  -1.403
   29    HB2  GLN   4          2HB       GLN   4  -7.092  -2.006  -2.692
   30    HB3  GLN   4          1HB       GLN   4  -5.530  -1.609  -2.010
   31    HG2  GLN   4          2HG       GLN   4  -4.471  -3.191  -3.569
   32    HG3  GLN   4          1HG       GLN   4  -6.054  -3.515  -4.275
   33   HE21  GLN   4          1HE2      GLN   4  -3.605  -2.388  -5.439
   34   HE22  GLN   4          2HE2      GLN   4  -4.088  -0.861  -6.105
   35    H    SER   5           HN       SER   5  -4.843  -3.718   0.549
   36    HA   SER   5           HA       SER   5  -6.777  -2.384   2.315
   37    HB2  SER   5          2HB       SER   5  -4.671  -4.462   2.996
   38    HB3  SER   5          1HB       SER   5  -5.874  -3.781   4.094
   39    HG   SER   5           HG       SER   5  -7.098  -4.769   1.927
   40    H    GLN   6           HN       GLN   6  -5.892  -0.628   3.498
   41    HA   GLN   6           HA       GLN   6  -3.512   0.409   2.351
   42    HB2  GLN   6          2HB       GLN   6  -3.763   2.342   3.819
   43    HB3  GLN   6          1HB       GLN   6  -5.225   1.985   2.924
   44    HG2  GLN   6          2HG       GLN   6  -6.269   1.106   4.860
   45    HG3  GLN   6          1HG       GLN   6  -4.761   1.178   5.774
   46   HE21  GLN   6          1HE2      GLN   6  -5.636   2.464   7.319
   47   HE22  GLN   6          2HE2      GLN   6  -6.039   4.128   7.074
   48    H    SER   7           HN       SER   7  -1.581   0.823   3.184
   49    HA   SER   7           HA       SER   7  -0.605  -0.983   5.123
   50    HB2  SER   7          2HB       SER   7   0.745   1.442   3.976
   51    HB3  SER   7          1HB       SER   7   1.499  -0.082   4.484
   52    HG   SER   7           HG       SER   7   0.974  -0.941   2.568
   53    H    HIS   8           HN       HIS   8  -1.095  -0.628   7.195
   54    HA   HIS   8           HA       HIS   8  -1.925   1.905   8.188
   55    HB2  HIS   8          2HB       HIS   8  -2.896  -0.211   8.985
   56    HB3  HIS   8          1HB       HIS   8  -1.346  -0.656   9.689
   57    HD1  HIS   8          1HD       HIS   8  -0.978   0.085  12.091
   58    HD2  HIS   8          2HD       HIS   8  -4.093   2.103  10.226
   59    HE1  HIS   8          1HE       HIS   8  -2.031   1.513  13.860
   60    H    ARG   9           HN       ARG   9   0.976  -0.055   8.539
   61    HA   ARG   9           HA       ARG   9   2.108   1.868  10.406
   62    HB2  ARG   9          2HB       ARG   9   4.020   0.356  10.596
   63    HB3  ARG   9          1HB       ARG   9   2.513  -0.518  10.798
   64    HG2  ARG   9          2HG       ARG   9   2.717  -1.276   8.434
   65    HG3  ARG   9          1HG       ARG   9   4.288  -0.491   8.369
   66    HD2  ARG   9          2HD       ARG   9   3.497  -2.681  10.281
   67    HD3  ARG   9          1HD       ARG   9   4.448  -2.919   8.830
   68    HE   ARG   9           HE       ARG   9   5.568  -0.969  10.604
   69   HH11  ARG   9          1HH1      ARG   9   5.488  -4.474   9.898
   70   HH12  ARG   9          2HH1      ARG   9   6.880  -4.809  10.802
   71   HH21  ARG   9          1HH2      ARG   9   7.508  -1.477  11.826
   72   HH22  ARG   9          2HH2      ARG   9   8.069  -3.079  11.902
   73    H    PHE  10           HN       PHE  10   1.649   2.173   7.370
   74    HA   PHE  10           HA       PHE  10   4.243   2.817   6.295
   75    HB2  PHE  10          2HB       PHE  10   2.381   2.052   4.891
   76    HB3  PHE  10          1HB       PHE  10   1.457   3.491   5.301
   77    HD1  PHE  10          1HD       PHE  10   1.755   5.498   4.031
   78    HD2  PHE  10          2HD       PHE  10   4.499   2.264   3.604
   79    HE1  PHE  10          1HE       PHE  10   2.772   6.607   2.124
   80    HE2  PHE  10          2HE       PHE  10   5.512   3.376   1.707
   81    HZ   PHE  10           HZ       PHE  10   4.661   5.556   0.945
   82    H    ARG  11           HN       ARG  11   4.984   4.938   5.822
   83    HA   ARG  11           HA       ARG  11   3.690   7.075   7.301
   84    HB2  ARG  11          2HB       ARG  11   5.854   7.863   8.124
   85    HB3  ARG  11          1HB       ARG  11   5.488   6.252   8.712
   86    HG2  ARG  11          2HG       ARG  11   7.013   5.296   7.080
   87    HG3  ARG  11          1HG       ARG  11   7.369   6.913   6.462
   88    HD2  ARG  11          2HD       ARG  11   8.160   7.562   8.684
   89    HD3  ARG  11          1HD       ARG  11   7.848   5.928   9.259
   90    HE   ARG  11           HE       ARG  11   9.500   5.709   7.046
   91   HH11  ARG  11          1HH1      ARG  11   9.692   7.024  10.299
   92   HH12  ARG  11          2HH1      ARG  11  11.379   6.804  10.446
   93   HH21  ARG  11          1HH2      ARG  11  11.794   5.427   7.225
   94   HH22  ARG  11          2HH2      ARG  11  12.599   5.869   8.656
   95    H    GLY  12           HN       GLY  12   3.928   9.091   6.410
   96    HA2  GLY  12          2HA       GLY  12   4.396  10.660   4.808
   97    HA3  GLY  12          1HA       GLY  12   5.517   9.524   4.062
   98    HA   PRO  13           HA       PRO  13   1.763   9.351   1.451
   99    HB2  PRO  13          2HB       PRO  13   2.631  10.637  -0.740
  100    HB3  PRO  13          1HB       PRO  13   1.955  11.515   0.633
  101    HG2  PRO  13          2HG       PRO  13   4.780  11.246  -0.225
  102    HG3  PRO  13          1HG       PRO  13   3.984  12.583   0.616
  103    HD2  PRO  13          2HD       PRO  13   5.584  10.559   1.787
  104    HD3  PRO  13          1HD       PRO  13   4.588  11.749   2.642
  105    H    CYS  14           HN       CYS  14   1.617   8.188  -0.644
  106    HA   CYS  14           HA       CYS  14   3.565   6.102  -0.707
  107    HB2  CYS  14          2HB       CYS  14   2.083   5.002  -2.349
  108    HB3  CYS  14          1HB       CYS  14   1.223   5.511  -0.903
  109    H    LEU  15           HN       LEU  15   4.023   8.968  -1.857
  110    HA   LEU  15           HA       LEU  15   4.414   8.917  -4.622
  111    HB2  LEU  15          2HB       LEU  15   6.020  10.401  -2.549
  112    HB3  LEU  15          1HB       LEU  15   6.080  10.709  -4.268
  113    HG   LEU  15           HG       LEU  15   3.693  11.128  -2.477
  114   HD11  LEU  15          1HD1      LEU  15   4.086  13.487  -2.918
  115   HD12  LEU  15          2HD1      LEU  15   5.533  13.078  -3.843
  116   HD13  LEU  15          3HD1      LEU  15   5.466  12.744  -2.110
  117   HD21  LEU  15          1HD2      LEU  15   2.690  12.200  -4.444
  118   HD22  LEU  15          2HD2      LEU  15   2.987  10.486  -4.712
  119   HD23  LEU  15          3HD2      LEU  15   4.068  11.689  -5.421
  120    H    ARG  16           HN       ARG  16   6.768   8.191  -2.047
  121    HA   ARG  16           HA       ARG  16   8.521   7.108  -4.049
  122    HB2  ARG  16          2HB       ARG  16   9.439   8.255  -1.996
  123    HB3  ARG  16          1HB       ARG  16   8.794   6.936  -1.028
  124    HG2  ARG  16          2HG       ARG  16  11.163   6.617  -1.413
  125    HG3  ARG  16          1HG       ARG  16  10.242   5.357  -2.245
  126    HD2  ARG  16          2HD       ARG  16  10.416   6.695  -4.327
  127    HD3  ARG  16          1HD       ARG  16  11.455   7.835  -3.469
  128    HE   ARG  16           HE       ARG  16  12.606   5.392  -3.132
  129   HH11  ARG  16          1HH1      ARG  16  11.693   7.385  -5.912
  130   HH12  ARG  16          2HH1      ARG  16  12.872   6.739  -6.958
  131   HH21  ARG  16          1HH2      ARG  16  14.182   4.442  -4.600
  132   HH22  ARG  16          2HH2      ARG  16  14.315   5.019  -6.198
  133    H    ARG  17           HN       ARG  17   7.687   5.377  -4.956
  134    HA   ARG  17           HA       ARG  17   5.860   3.672  -3.667
  135    HB2  ARG  17          2HB       ARG  17   7.363   3.130  -6.223
  136    HB3  ARG  17          1HB       ARG  17   5.913   2.315  -5.669
  137    HG2  ARG  17          2HG       ARG  17   4.702   4.468  -5.815
  138    HG3  ARG  17          1HG       ARG  17   6.161   5.199  -6.479
  139    HD2  ARG  17          2HD       ARG  17   4.596   2.919  -7.685
  140    HD3  ARG  17          1HD       ARG  17   4.658   4.577  -8.267
  141    HE   ARG  17           HE       ARG  17   6.995   4.240  -8.758
  142   HH11  ARG  17          1HH1      ARG  17   5.006   1.332  -8.363
  143   HH12  ARG  17          2HH1      ARG  17   6.067   0.328  -9.256
  144   HH21  ARG  17          1HH2      ARG  17   8.439   2.814  -9.972
  145   HH22  ARG  17          2HH2      ARG  17   8.017   1.182 -10.185
  146    H    SER  18           HN       SER  18   9.305   3.590  -3.907
  147    HA   SER  18           HA       SER  18   9.922   0.958  -3.382
  148    HB2  SER  18          2HB       SER  18  11.255   3.313  -2.083
  149    HB3  SER  18          1HB       SER  18  11.993   1.812  -2.647
  150    HG   SER  18           HG       SER  18  11.370   2.471  -4.791
  151    H    ASN  19           HN       ASN  19   9.032   3.597  -1.168
  152    HA   ASN  19           HA       ASN  19   9.403   2.121   1.233
  153    HB2  ASN  19          2HB       ASN  19   9.491   4.594   1.127
  154    HB3  ASN  19          1HB       ASN  19   7.788   4.631   0.701
  155   HD21  ASN  19          1HD2      ASN  19   7.343   5.918   2.492
  156   HD22  ASN  19          2HD2      ASN  19   7.294   5.303   4.086
  157    H    CYS  20           HN       CYS  20   6.776   2.721  -0.932
  158    HA   CYS  20           HA       CYS  20   4.649   1.673   0.623
  159    HB2  CYS  20          2HB       CYS  20   4.378   3.171  -1.350
  160    HB3  CYS  20          1HB       CYS  20   4.972   1.892  -2.389
  161    H    ALA  21           HN       ALA  21   6.653   0.279  -1.983
  162    HA   ALA  21           HA       ALA  21   5.597  -2.314  -1.932
  163    HB1  ALA  21          1HB       ALA  21   6.923  -1.388  -3.786
  164    HB2  ALA  21          2HB       ALA  21   7.568  -2.927  -3.214
  165    HB3  ALA  21          3HB       ALA  21   8.356  -1.417  -2.759
  166    H    ASN  22           HN       ASN  22   8.443  -0.922  -0.320
  167    HA   ASN  22           HA       ASN  22   9.370  -3.256   0.862
  168    HB2  ASN  22          2HB       ASN  22   9.678  -0.377   1.652
  169    HB3  ASN  22          1HB       ASN  22  10.316  -1.651   2.679
  170   HD21  ASN  22          1HD2      ASN  22  12.402  -0.937   2.354
  171   HD22  ASN  22          2HD2      ASN  22  13.269  -1.198   0.883
  172    H    VAL  23           HN       VAL  23   7.095  -0.879   2.260
  173    HA   VAL  23           HA       VAL  23   6.764  -2.305   4.666
  174    HB   VAL  23           HB       VAL  23   4.848  -0.356   3.315
  175   HG11  VAL  23          1HG1      VAL  23   4.787  -1.407   6.151
  176   HG12  VAL  23          2HG1      VAL  23   3.619  -1.781   4.885
  177   HG13  VAL  23          3HG1      VAL  23   3.752  -0.135   5.504
  178   HG21  VAL  23          1HG2      VAL  23   5.689   1.231   5.014
  179   HG22  VAL  23          2HG2      VAL  23   6.948   0.671   3.916
  180   HG23  VAL  23          3HG2      VAL  23   6.843   0.010   5.551
  181    H    CYS  24           HN       CYS  24   4.882  -2.338   1.672
  182    HA   CYS  24           HA       CYS  24   3.016  -4.188   2.592
  183    HB2  CYS  24          2HB       CYS  24   3.843  -3.382  -0.164
  184    HB3  CYS  24          1HB       CYS  24   2.590  -4.586   0.087
  185    H    ARG  25           HN       ARG  25   6.105  -4.778   0.922
  186    HA   ARG  25           HA       ARG  25   5.499  -7.543   0.718
  187    HB2  ARG  25          2HB       ARG  25   7.165  -6.331  -0.783
  188    HB3  ARG  25          1HB       ARG  25   8.293  -6.383   0.564
  189    HG2  ARG  25          2HG       ARG  25   8.747  -8.202  -1.014
  190    HG3  ARG  25          1HG       ARG  25   8.211  -8.849   0.540
  191    HD2  ARG  25          2HD       ARG  25   5.945  -9.121  -0.343
  192    HD3  ARG  25          1HD       ARG  25   6.448  -8.437  -1.878
  193    HE   ARG  25           HE       ARG  25   8.052 -10.578  -1.603
  194   HH11  ARG  25          1HH1      ARG  25   4.563 -10.184  -1.229
  195   HH12  ARG  25          2HH1      ARG  25   4.138 -11.720  -1.854
  196   HH21  ARG  25          1HH2      ARG  25   7.492 -12.736  -2.481
  197   HH22  ARG  25          2HH2      ARG  25   5.864 -13.210  -2.553
  198    H    THR  26           HN       THR  26   7.177  -5.586   3.131
  199    HA   THR  26           HA       THR  26   8.125  -7.832   4.565
  200    HB   THR  26           HB       THR  26   8.353  -6.179   6.506
  201    HG1  THR  26          1HG       THR  26   7.933  -4.206   4.544
  202   HG21  THR  26          1HG2      THR  26  10.218  -6.723   5.022
  203   HG22  THR  26          2HG2      THR  26  10.240  -5.017   5.480
  204   HG23  THR  26          3HG2      THR  26   9.666  -5.494   3.883
  205    H    GLU  27           HN       GLU  27   5.117  -6.020   4.672
  206    HA   GLU  27           HA       GLU  27   4.199  -7.453   6.962
  207    HB2  GLU  27          2HB       GLU  27   2.662  -5.717   5.020
  208    HB3  GLU  27          1HB       GLU  27   1.969  -6.439   6.468
  209    HG2  GLU  27          2HG       GLU  27   4.180  -4.422   6.343
  210    HG3  GLU  27          1HG       GLU  27   2.520  -4.141   6.850
  211    H    GLY  28           HN       GLY  28   4.677  -8.471   3.889
  212    HA2  GLY  28          2HA       GLY  28   4.373 -10.742   3.305
  213    HA3  GLY  28          1HA       GLY  28   3.020 -10.822   4.414
  214    H    PHE  29           HN       PHE  29   3.353  -8.317   1.986
  215    HA   PHE  29           HA       PHE  29   1.076  -9.508   0.589
  216    HB2  PHE  29          2HB       PHE  29   1.852  -6.613   0.916
  217    HB3  PHE  29          1HB       PHE  29   0.530  -7.180  -0.099
  218    HD1  PHE  29          1HD       PHE  29   1.459  -6.091   3.132
  219    HD2  PHE  29          2HD       PHE  29  -1.224  -8.596   1.037
  220    HE1  PHE  29          1HE       PHE  29  -0.068  -6.034   5.051
  221    HE2  PHE  29          2HE       PHE  29  -2.777  -8.553   2.921
  222    HZ   PHE  29           HZ       PHE  29  -2.204  -7.261   4.956
  223    HA   PRO  30           HA       PRO  30   3.436  -9.773  -3.163
  224    HB2  PRO  30          2HB       PRO  30   1.190  -8.531  -4.615
  225    HB3  PRO  30          1HB       PRO  30   1.931 -10.112  -4.851
  226    HG2  PRO  30          2HG       PRO  30  -0.496  -9.808  -3.725
  227    HG3  PRO  30          1HG       PRO  30   0.605 -11.119  -3.271
  228    HD2  PRO  30          2HD       PRO  30  -0.094  -8.629  -1.804
  229    HD3  PRO  30          1HD       PRO  30   0.351 -10.223  -1.180
  230    H    GLY  31           HN       GLY  31   1.484  -6.749  -3.114
  231    HA2  GLY  31          2HA       GLY  31   3.888  -5.205  -3.504
  232    HA3  GLY  31          1HA       GLY  31   2.795  -5.238  -4.884
  233    H    GLY  32           HN       GLY  32   3.426  -2.897  -3.675
  234    HA2  GLY  32          2HA       GLY  32   0.921  -2.219  -2.292
  235    HA3  GLY  32          1HA       GLY  32   2.468  -1.457  -1.915
  236    H    ARG  33           HN       ARG  33  -0.201  -0.549  -3.118
  237    HA   ARG  33           HA       ARG  33   0.977   0.941  -5.373
  238    HB2  ARG  33          2HB       ARG  33  -1.852  -0.151  -5.355
  239    HB3  ARG  33          1HB       ARG  33  -1.039   0.669  -6.676
  240    HG2  ARG  33          2HG       ARG  33  -0.360  -2.067  -5.603
  241    HG3  ARG  33          1HG       ARG  33  -1.250  -1.729  -7.085
  242    HD2  ARG  33          2HD       ARG  33   0.683  -0.730  -8.086
  243    HD3  ARG  33          1HD       ARG  33   1.561  -0.793  -6.557
  244    HE   ARG  33           HE       ARG  33   0.639  -3.317  -7.606
  245   HH11  ARG  33          1HH1      ARG  33   3.313  -1.018  -7.495
  246   HH12  ARG  33          2HH1      ARG  33   4.524  -2.210  -7.720
  247   HH21  ARG  33          1HH2      ARG  33   2.338  -4.963  -7.875
  248   HH22  ARG  33          2HH2      ARG  33   3.967  -4.449  -7.925
  249    H    CYS  34           HN       CYS  34  -0.558   2.872  -5.863
  250    HA   CYS  34           HA       CYS  34  -1.365   4.045  -3.338
  251    HB2  CYS  34          2HB       CYS  34  -1.109   5.183  -6.126
  252    HB3  CYS  34          1HB       CYS  34  -1.702   6.124  -4.769
  253    H    ARG  35           HN       ARG  35  -3.404   4.395  -2.743
  254    HA   ARG  35           HA       ARG  35  -5.587   4.237  -4.665
  255    HB2  ARG  35          2HB       ARG  35  -5.189   1.894  -4.123
  256    HB3  ARG  35          1HB       ARG  35  -5.324   2.241  -2.416
  257    HG2  ARG  35          2HG       ARG  35  -7.298   1.108  -3.199
  258    HG3  ARG  35          1HG       ARG  35  -7.706   2.749  -2.717
  259    HD2  ARG  35          2HD       ARG  35  -7.169   1.992  -5.589
  260    HD3  ARG  35          1HD       ARG  35  -8.769   1.870  -4.860
  261    HE   ARG  35           HE       ARG  35  -7.954   4.396  -4.318
  262   HH11  ARG  35          1HH1      ARG  35  -8.395   2.565  -7.315
  263   HH12  ARG  35          2HH1      ARG  35  -8.800   3.920  -8.259
  264   HH21  ARG  35          1HH2      ARG  35  -8.565   6.259  -5.607
  265   HH22  ARG  35          2HH2      ARG  35  -8.931   6.074  -7.244
  266    H    GLY  36           HN       GLY  36  -4.339   5.560  -1.825
  267    HA2  GLY  36          2HA       GLY  36  -6.956   6.173  -0.682
  268    HA3  GLY  36          1HA       GLY  36  -5.394   6.489   0.061
  269    H    PHE  37           HN       PHE  37  -7.460   8.386  -0.097
  270    HA   PHE  37           HA       PHE  37  -7.114  10.191  -2.299
  271    HB2  PHE  37          2HB       PHE  37  -8.068  11.018   0.440
  272    HB3  PHE  37          1HB       PHE  37  -8.550  11.657  -1.120
  273    HD1  PHE  37          1HD       PHE  37  -9.399   9.568   1.540
  274    HD2  PHE  37          2HD       PHE  37  -9.864   9.983  -2.656
  275    HE1  PHE  37          1HE       PHE  37 -11.329   8.106   1.640
  276    HE2  PHE  37          2HE       PHE  37 -11.831   8.504  -2.586
  277    HZ   PHE  37           HZ       PHE  37 -12.575   7.553  -0.434
  278    H    ARG  38           HN       ARG  38  -5.887   9.782   0.909
  279    HA   ARG  38           HA       ARG  38  -4.326  12.220   0.921
  280    HB2  ARG  38          2HB       ARG  38  -4.593  10.000   2.952
  281    HB3  ARG  38          1HB       ARG  38  -3.722  11.506   3.210
  282    HG2  ARG  38          2HG       ARG  38  -5.795  12.763   2.890
  283    HG3  ARG  38          1HG       ARG  38  -6.665  11.251   2.640
  284    HD2  ARG  38          2HD       ARG  38  -5.164  11.964   5.146
  285    HD3  ARG  38          1HD       ARG  38  -6.890  12.218   4.912
  286    HE   ARG  38           HE       ARG  38  -6.246   9.536   4.370
  287   HH11  ARG  38          1HH1      ARG  38  -6.517  11.786   7.099
  288   HH12  ARG  38          2HH1      ARG  38  -6.908  10.572   8.225
  289   HH21  ARG  38          1HH2      ARG  38  -6.855   7.862   5.973
  290   HH22  ARG  38          2HH2      ARG  38  -7.131   8.358   7.578
  291    H    ARG  39           HN       ARG  39  -3.812   9.946  -0.889
  292    HA   ARG  39           HA       ARG  39  -2.180   8.776  -1.827
  293    HB2  ARG  39          2HB       ARG  39  -0.383  10.850  -0.545
  294    HB3  ARG  39          1HB       ARG  39   0.095   9.765  -1.844
  295    HG2  ARG  39          2HG       ARG  39  -1.681  10.736  -3.267
  296    HG3  ARG  39          1HG       ARG  39  -2.043  11.882  -1.983
  297    HD2  ARG  39          2HD       ARG  39   0.596  11.616  -3.414
  298    HD3  ARG  39          1HD       ARG  39  -0.626  12.835  -3.745
  299    HE   ARG  39           HE       ARG  39   0.090  12.963  -1.033
  300   HH11  ARG  39          1HH1      ARG  39   1.314  13.774  -4.261
  301   HH12  ARG  39          2HH1      ARG  39   2.425  14.926  -3.716
  302   HH21  ARG  39          1HH2      ARG  39   1.633  14.608  -0.270
  303   HH22  ARG  39          2HH2      ARG  39   2.633  15.383  -1.401
  304    H    ARG  40           HN       ARG  40  -2.964   7.273  -0.175
  305    HA   ARG  40           HA       ARG  40  -0.964   6.457   1.811
  306    HB2  ARG  40          2HB       ARG  40  -3.208   6.788   2.717
  307    HB3  ARG  40          1HB       ARG  40  -3.885   5.792   1.458
  308    HG2  ARG  40          2HG       ARG  40  -3.870   4.586   3.551
  309    HG3  ARG  40          1HG       ARG  40  -2.785   3.820   2.398
  310    HD2  ARG  40          2HD       ARG  40  -1.787   3.849   4.607
  311    HD3  ARG  40          1HD       ARG  40  -0.872   4.888   3.521
  312    HE   ARG  40           HE       ARG  40  -2.582   6.596   4.674
  313   HH11  ARG  40          1HH1      ARG  40  -0.564   4.101   6.213
  314   HH12  ARG  40          2HH1      ARG  40  -0.123   5.077   7.534
  315   HH21  ARG  40          1HH2      ARG  40  -2.023   7.905   6.503
  316   HH22  ARG  40          2HH2      ARG  40  -1.015   7.308   7.730
  317    H    CYS  41           HN       CYS  41   0.101   4.596   1.593
  318    HA   CYS  41           HA       CYS  41   0.040   3.143  -0.833
  319    HB2  CYS  41          2HB       CYS  41   2.077   3.383   0.537
  320    HB3  CYS  41          1HB       CYS  41   1.305   2.502   1.845
  321    H    PHE  42           HN       PHE  42  -1.092   1.388  -1.329
  322    HA   PHE  42           HA       PHE  42  -2.583  -0.004   0.760
  323    HB2  PHE  42          2HB       PHE  42  -3.435   0.836  -1.980
  324    HB3  PHE  42          1HB       PHE  42  -4.108  -0.603  -1.241
  325    HD1  PHE  42          1HD       PHE  42  -6.158  -0.350  -0.265
  326    HD2  PHE  42          2HD       PHE  42  -3.487   2.958  -0.240
  327    HE1  PHE  42          1HE       PHE  42  -7.860   1.001   0.862
  328    HE2  PHE  42          2HE       PHE  42  -5.193   4.319   0.900
  329    HZ   PHE  42           HZ       PHE  42  -7.381   3.342   1.449
  330    H    CYS  43           HN       CYS  43  -1.990  -1.906   0.988
  331    HA   CYS  43           HA       CYS  43  -0.213  -3.211  -0.833
  332    HB2  CYS  43          2HB       CYS  43  -1.562  -4.199   1.679
  333    HB3  CYS  43          1HB       CYS  43  -0.262  -5.018   0.824
  334    H    THR  44           HN       THR  44  -0.847  -4.409  -2.448
  335    HA   THR  44           HA       THR  44  -3.668  -5.049  -2.712
  336    HB   THR  44           HB       THR  44  -1.433  -5.422  -4.720
  337    HG1  THR  44          1HG       THR  44  -2.079  -3.186  -3.738
  338   HG21  THR  44          1HG2      THR  44  -3.275  -5.341  -6.353
  339   HG22  THR  44          2HG2      THR  44  -4.435  -5.123  -5.046
  340   HG23  THR  44          3HG2      THR  44  -3.545  -6.637  -5.189
  341    H    THR  45           HN       THR  45  -4.212  -6.913  -1.806
  342    HA   THR  45           HA       THR  45  -2.322  -9.134  -1.916
  343    HB   THR  45           HB       THR  45  -2.966  -8.364   0.365
  344    HG1  THR  45          1HG       THR  45  -4.141 -10.786   0.554
  345   HG21  THR  45          1HG2      THR  45  -5.739  -9.302  -0.384
  346   HG22  THR  45          2HG2      THR  45  -5.266  -7.638  -0.042
  347   HG23  THR  45          3HG2      THR  45  -5.225  -8.848   1.242
  348    H    HIS  46           HN       HIS  46  -3.360 -11.188  -2.217
  349    HA   HIS  46           HA       HIS  46  -5.526 -10.870  -4.145
  350    HB2  HIS  46          2HB       HIS  46  -3.451 -11.980  -4.960
  351    HB3  HIS  46          1HB       HIS  46  -3.689 -13.248  -3.766
  352    HD1  HIS  46          1HD       HIS  46  -4.919 -15.257  -4.636
  353    HD2  HIS  46          2HD       HIS  46  -5.762 -11.820  -6.804
  354    HE1  HIS  46          1HE       HIS  46  -6.399 -15.989  -6.538
  355    H    CYS  47           HN       CYS  47  -7.450 -11.457  -3.629
  356    HA   CYS  47           HA       CYS  47  -7.855 -12.992  -1.267
  357    HB2  CYS  47          2HB       CYS  47  -9.760 -11.427  -3.004
  358    HB3  CYS  47          1HB       CYS  47 -10.305 -12.431  -1.662
  Start of MODEL    2
    1    H1   ARG   1          1HT       ARG   1 -10.101 -12.147  -6.335
    2    H2   ARG   1          2HT       ARG   1  -9.002 -12.655  -7.485
    3    H3   ARG   1          3HT       ARG   1 -10.604 -12.405  -7.933
    4    HA   ARG   1           HA       ARG   1  -9.149 -10.655  -8.705
    5    HB2  ARG   1          2HB       ARG   1 -10.350  -8.703  -7.779
    6    HB3  ARG   1          1HB       ARG   1 -11.460  -9.999  -8.186
    7    HG2  ARG   1          2HG       ARG   1 -11.802 -10.543  -5.896
    8    HG3  ARG   1          1HG       ARG   1 -10.421  -9.556  -5.409
    9    HD2  ARG   1          2HD       ARG   1 -12.916  -8.442  -6.687
   10    HD3  ARG   1          1HD       ARG   1 -12.643  -8.506  -4.944
   11    HE   ARG   1           HE       ARG   1 -10.429  -7.252  -5.970
   12   HH11  ARG   1          1HH1      ARG   1 -13.915  -6.520  -5.971
   13   HH12  ARG   1          2HH1      ARG   1 -13.642  -4.836  -6.095
   14   HH21  ARG   1          1HH2      ARG   1 -10.147  -4.940  -6.135
   15   HH22  ARG   1          2HH2      ARG   1 -11.525  -3.954  -6.193
   16    H    THR   2           HN       THR   2  -8.100  -8.548  -7.866
   17    HA   THR   2           HA       THR   2  -6.475  -9.168  -5.566
   18    HB   THR   2           HB       THR   2  -5.308  -6.993  -6.398
   19    HG1  THR   2          1HG       THR   2  -6.058  -7.561  -8.949
   20   HG21  THR   2          1HG2      THR   2  -3.997  -8.282  -8.044
   21   HG22  THR   2          2HG2      THR   2  -5.254  -9.518  -8.071
   22   HG23  THR   2          3HG2      THR   2  -4.326  -9.237  -6.598
   23    H    CYS   3           HN       CYS   3  -6.277  -7.651  -3.870
   24    HA   CYS   3           HA       CYS   3  -8.386  -5.656  -3.605
   25    HB2  CYS   3          2HB       CYS   3  -7.752  -7.941  -1.721
   26    HB3  CYS   3          1HB       CYS   3  -8.692  -6.519  -1.227
   27    H    GLN   4           HN       GLN   4  -7.847  -4.344  -1.579
   28    HA   GLN   4           HA       GLN   4  -4.986  -4.337  -1.014
   29    HB2  GLN   4          2HB       GLN   4  -6.642  -1.924  -1.743
   30    HB3  GLN   4          1HB       GLN   4  -5.033  -1.890  -1.033
   31    HG2  GLN   4          2HG       GLN   4  -4.107  -2.959  -2.979
   32    HG3  GLN   4          1HG       GLN   4  -5.715  -3.115  -3.694
   33   HE21  GLN   4          1HE2      GLN   4  -3.107  -0.976  -2.944
   34   HE22  GLN   4          2HE2      GLN   4  -3.686   0.359  -3.874
   35    H    SER   5           HN       SER   5  -4.429  -3.454   0.929
   36    HA   SER   5           HA       SER   5  -6.575  -2.734   2.751
   37    HB2  SER   5          2HB       SER   5  -5.284  -4.094   4.505
   38    HB3  SER   5          1HB       SER   5  -6.197  -5.007   3.300
   39    HG   SER   5           HG       SER   5  -3.408  -4.549   3.423
   40    H    GLN   6           HN       GLN   6  -5.931  -1.175   4.289
   41    HA   GLN   6           HA       GLN   6  -3.861   0.520   3.392
   42    HB2  GLN   6          2HB       GLN   6  -4.331   1.862   5.432
   43    HB3  GLN   6          1HB       GLN   6  -5.779   1.485   4.515
   44    HG2  GLN   6          2HG       GLN   6  -6.316  -0.294   6.114
   45    HG3  GLN   6          1HG       GLN   6  -4.873   0.113   7.044
   46   HE21  GLN   6          1HE2      GLN   6  -8.048   1.081   6.135
   47   HE22  GLN   6          2HE2      GLN   6  -8.237   2.316   7.331
   48    H    SER   7           HN       SER   7  -1.798   0.661   3.910
   49    HA   SER   7           HA       SER   7  -0.480  -1.423   5.261
   50    HB2  SER   7          2HB       SER   7   1.506   0.142   5.053
   51    HB3  SER   7          1HB       SER   7   0.674  -0.229   3.538
   52    HG   SER   7           HG       SER   7  -0.319   1.700   3.590
   53    H    HIS   8           HN       HIS   8   0.613  -1.398   7.310
   54    HA   HIS   8           HA       HIS   8  -0.697   0.483   9.117
   55    HB2  HIS   8          2HB       HIS   8  -1.126  -1.945   9.479
   56    HB3  HIS   8          1HB       HIS   8   0.594  -2.165   9.786
   57    HD1  HIS   8          1HD       HIS   8   1.472  -1.434  12.142
   58    HD2  HIS   8          2HD       HIS   8  -2.536  -0.576  11.448
   59    HE1  HIS   8          1HE       HIS   8   0.515  -0.791  14.363
   60    H    ARG   9           HN       ARG   9   2.397  -1.060   8.411
   61    HA   ARG   9           HA       ARG   9   3.669   0.739  10.341
   62    HB2  ARG   9          2HB       ARG   9   5.676  -0.620  10.116
   63    HB3  ARG   9          1HB       ARG   9   4.284  -1.642  10.423
   64    HG2  ARG   9          2HG       ARG   9   4.194  -2.145   7.992
   65    HG3  ARG   9          1HG       ARG   9   5.674  -1.198   7.815
   66    HD2  ARG   9          2HD       ARG   9   6.133  -3.590   7.922
   67    HD3  ARG   9          1HD       ARG   9   6.861  -2.743   9.299
   68    HE   ARG   9           HE       ARG   9   4.354  -3.619  10.074
   69   HH11  ARG   9          1HH1      ARG   9   7.419  -5.129   9.095
   70   HH12  ARG   9          2HH1      ARG   9   7.097  -6.572   9.930
   71   HH21  ARG   9          1HH2      ARG   9   3.951  -5.558  11.179
   72   HH22  ARG   9          2HH2      ARG   9   5.072  -6.839  11.165
   73    H    PHE  10           HN       PHE  10   2.647   1.568   7.638
   74    HA   PHE  10           HA       PHE  10   5.119   2.533   6.374
   75    HB2  PHE  10          2HB       PHE  10   3.250   1.593   4.957
   76    HB3  PHE  10          1HB       PHE  10   2.246   2.931   5.493
   77    HD1  PHE  10          1HD       PHE  10   2.598   5.187   4.604
   78    HD2  PHE  10          2HD       PHE  10   5.098   1.955   3.450
   79    HE1  PHE  10          1HE       PHE  10   3.494   6.534   2.791
   80    HE2  PHE  10          2HE       PHE  10   6.004   3.304   1.635
   81    HZ   PHE  10           HZ       PHE  10   5.201   5.612   1.291
   82    H    ARG  11           HN       ARG  11   5.708   4.658   6.454
   83    HA   ARG  11           HA       ARG  11   3.866   6.462   7.814
   84    HB2  ARG  11          2HB       ARG  11   5.853   7.616   8.788
   85    HB3  ARG  11          1HB       ARG  11   5.581   5.996   9.404
   86    HG2  ARG  11          2HG       ARG  11   7.347   5.156   7.926
   87    HG3  ARG  11          1HG       ARG  11   7.628   6.798   7.350
   88    HD2  ARG  11          2HD       ARG  11   8.193   7.515   9.588
   89    HD3  ARG  11          1HD       ARG  11   7.847   5.902  10.208
   90    HE   ARG  11           HE       ARG  11   9.710   5.425   8.328
   91   HH11  ARG  11          1HH1      ARG  11   9.677   7.598  11.131
   92   HH12  ARG  11          2HH1      ARG  11  11.363   7.602  11.330
   93   HH21  ARG  11          1HH2      ARG  11  11.984   5.389   8.635
   94   HH22  ARG  11          2HH2      ARG  11  12.730   6.268   9.885
   95    H    GLY  12           HN       GLY  12   3.389   8.257   6.756
   96    HA2  GLY  12          2HA       GLY  12   4.007  10.177   5.529
   97    HA3  GLY  12          1HA       GLY  12   5.263   9.234   4.730
   98    HA   PRO  13           HA       PRO  13   1.623   9.139   1.969
   99    HB2  PRO  13          2HB       PRO  13   2.521  10.575  -0.062
  100    HB3  PRO  13          1HB       PRO  13   1.949  11.356   1.414
  101    HG2  PRO  13          2HG       PRO  13   4.745  10.946   0.469
  102    HG3  PRO  13          1HG       PRO  13   4.060  12.294   1.390
  103    HD2  PRO  13          2HD       PRO  13   5.496  10.087   2.438
  104    HD3  PRO  13          1HD       PRO  13   4.579  11.289   3.365
  105    H    CYS  14           HN       CYS  14   1.351   7.973   0.013
  106    HA   CYS  14           HA       CYS  14   3.286   5.910  -0.379
  107    HB2  CYS  14          2HB       CYS  14   1.675   4.956  -1.950
  108    HB3  CYS  14          1HB       CYS  14   0.887   5.441  -0.453
  109    H    LEU  15           HN       LEU  15   3.581   8.893  -1.389
  110    HA   LEU  15           HA       LEU  15   3.804   9.031  -4.159
  111    HB2  LEU  15          2HB       LEU  15   5.570  10.340  -2.090
  112    HB3  LEU  15          1HB       LEU  15   5.528  10.784  -3.783
  113    HG   LEU  15           HG       LEU  15   3.223  11.046  -1.855
  114   HD11  LEU  15          1HD1      LEU  15   5.057  13.130  -3.026
  115   HD12  LEU  15          2HD1      LEU  15   5.002  12.608  -1.342
  116   HD13  LEU  15          3HD1      LEU  15   3.624  13.449  -2.050
  117   HD21  LEU  15          1HD2      LEU  15   3.520  11.940  -4.723
  118   HD22  LEU  15          2HD2      LEU  15   2.177  12.343  -3.658
  119   HD23  LEU  15          3HD2      LEU  15   2.448  10.669  -4.132
  120    H    ARG  16           HN       ARG  16   6.125   7.870  -1.798
  121    HA   ARG  16           HA       ARG  16   7.824   6.932  -3.949
  122    HB2  ARG  16          2HB       ARG  16   8.145   6.608  -0.948
  123    HB3  ARG  16          1HB       ARG  16   9.323   6.125  -2.153
  124    HG2  ARG  16          2HG       ARG  16   8.445   8.944  -1.552
  125    HG3  ARG  16          1HG       ARG  16   9.976   8.203  -1.091
  126    HD2  ARG  16          2HD       ARG  16  10.560   7.940  -3.457
  127    HD3  ARG  16          1HD       ARG  16   9.017   8.659  -3.919
  128    HE   ARG  16           HE       ARG  16  10.684  10.246  -2.192
  129   HH11  ARG  16          1HH1      ARG  16   9.816   9.555  -5.571
  130   HH12  ARG  16          2HH1      ARG  16  10.307  11.072  -6.144
  131   HH21  ARG  16          1HH2      ARG  16  11.351  12.338  -3.005
  132   HH22  ARG  16          2HH2      ARG  16  11.199  12.666  -4.673
  133    H    ARG  17           HN       ARG  17   6.661   5.463  -4.919
  134    HA   ARG  17           HA       ARG  17   4.974   3.632  -3.557
  135    HB2  ARG  17          2HB       ARG  17   5.838   3.658  -6.453
  136    HB3  ARG  17          1HB       ARG  17   4.552   2.655  -5.787
  137    HG2  ARG  17          2HG       ARG  17   3.308   4.652  -5.144
  138    HG3  ARG  17          1HG       ARG  17   4.597   5.666  -5.781
  139    HD2  ARG  17          2HD       ARG  17   4.198   4.731  -8.008
  140    HD3  ARG  17          1HD       ARG  17   2.877   3.759  -7.355
  141    HE   ARG  17           HE       ARG  17   2.521   6.467  -6.710
  142   HH11  ARG  17          1HH1      ARG  17   2.325   4.334  -9.522
  143   HH12  ARG  17          2HH1      ARG  17   1.097   5.240 -10.298
  144   HH21  ARG  17          1HH2      ARG  17   0.812   7.702  -7.796
  145   HH22  ARG  17          2HH2      ARG  17   0.226   7.150  -9.296
  146    H    SER  18           HN       SER  18   8.249   3.580  -4.533
  147    HA   SER  18           HA       SER  18   8.685   0.816  -4.435
  148    HB2  SER  18          2HB       SER  18  11.076   1.666  -3.921
  149    HB3  SER  18          1HB       SER  18  10.349   2.104  -5.469
  150    HG   SER  18           HG       SER  18  11.350   3.830  -4.348
  151    H    ASN  19           HN       ASN  19   8.814   3.389  -2.039
  152    HA   ASN  19           HA       ASN  19   9.541   1.858   0.230
  153    HB2  ASN  19          2HB       ASN  19   7.829   4.356   0.054
  154    HB3  ASN  19          1HB       ASN  19   8.376   3.647   1.559
  155   HD21  ASN  19          1HD2      ASN  19   9.375   5.544   2.094
  156   HD22  ASN  19          2HD2      ASN  19  10.856   6.051   1.384
  157    H    CYS  20           HN       CYS  20   6.472   2.850  -1.109
  158    HA   CYS  20           HA       CYS  20   4.715   1.741   0.724
  159    HB2  CYS  20          2HB       CYS  20   4.149   3.339  -1.108
  160    HB3  CYS  20          1HB       CYS  20   4.336   2.031  -2.263
  161    H    ALA  21           HN       ALA  21   5.922   0.274  -2.310
  162    HA   ALA  21           HA       ALA  21   4.673  -2.205  -1.903
  163    HB1  ALA  21          1HB       ALA  21   6.102  -3.010  -3.702
  164    HB2  ALA  21          2HB       ALA  21   7.108  -1.564  -3.561
  165    HB3  ALA  21          3HB       ALA  21   5.436  -1.425  -4.095
  166    H    ASN  22           HN       ASN  22   7.833  -0.983  -0.971
  167    HA   ASN  22           HA       ASN  22   8.972  -3.432  -0.125
  168    HB2  ASN  22          2HB       ASN  22  10.290  -1.358  -0.468
  169    HB3  ASN  22          1HB       ASN  22   9.513  -0.649   0.940
  170   HD21  ASN  22          1HD2      ASN  22  11.389  -0.375   2.091
  171   HD22  ASN  22          2HD2      ASN  22  12.320  -1.677   2.705
  172    H    VAL  23           HN       VAL  23   7.297  -0.886   1.695
  173    HA   VAL  23           HA       VAL  23   7.392  -2.158   4.186
  174    HB   VAL  23           HB       VAL  23   5.489  -0.055   3.121
  175   HG11  VAL  23          1HG1      VAL  23   4.404  -1.208   4.967
  176   HG12  VAL  23          2HG1      VAL  23   4.957   0.384   5.517
  177   HG13  VAL  23          3HG1      VAL  23   5.877  -1.069   5.917
  178   HG21  VAL  23          1HG2      VAL  23   7.807   0.655   3.253
  179   HG22  VAL  23          2HG2      VAL  23   7.901   0.108   4.925
  180   HG23  VAL  23          3HG2      VAL  23   6.861   1.463   4.502
  181    H    CYS  24           HN       CYS  24   4.831  -2.120   1.731
  182    HA   CYS  24           HA       CYS  24   3.122  -3.811   3.134
  183    HB2  CYS  24          2HB       CYS  24   3.415  -3.239   0.202
  184    HB3  CYS  24          1HB       CYS  24   2.149  -4.289   0.826
  185    H    ARG  25           HN       ARG  25   5.854  -4.516   1.053
  186    HA   ARG  25           HA       ARG  25   5.371  -7.285   0.953
  187    HB2  ARG  25          2HB       ARG  25   6.842  -6.110  -0.641
  188    HB3  ARG  25          1HB       ARG  25   7.981  -5.796   0.656
  189    HG2  ARG  25          2HG       ARG  25   8.561  -8.084   0.820
  190    HG3  ARG  25          1HG       ARG  25   7.200  -8.570  -0.195
  191    HD2  ARG  25          2HD       ARG  25   9.524  -6.869  -1.091
  192    HD3  ARG  25          1HD       ARG  25   9.324  -8.586  -1.446
  193    HE   ARG  25           HE       ARG  25   7.018  -7.504  -2.331
  194   HH11  ARG  25          1HH1      ARG  25  10.406  -6.805  -3.087
  195   HH12  ARG  25          2HH1      ARG  25  10.075  -6.190  -4.636
  196   HH21  ARG  25          1HH2      ARG  25   6.568  -6.662  -4.391
  197   HH22  ARG  25          2HH2      ARG  25   7.812  -6.096  -5.410
  198    H    THR  26           HN       THR  26   7.229  -5.249   3.182
  199    HA   THR  26           HA       THR  26   8.101  -7.431   4.729
  200    HB   THR  26           HB       THR  26   8.566  -5.770   6.563
  201    HG1  THR  26          1HG       THR  26   6.889  -4.208   5.097
  202   HG21  THR  26          1HG2      THR  26   9.563  -5.014   3.815
  203   HG22  THR  26          2HG2      THR  26  10.254  -6.248   4.867
  204   HG23  THR  26          3HG2      THR  26  10.318  -4.550   5.340
  205    H    GLU  27           HN       GLU  27   5.047  -5.724   4.700
  206    HA   GLU  27           HA       GLU  27   4.220  -7.075   7.100
  207    HB2  GLU  27          2HB       GLU  27   2.752  -5.216   5.251
  208    HB3  GLU  27          1HB       GLU  27   1.879  -6.121   6.489
  209    HG2  GLU  27          2HG       GLU  27   3.575  -5.098   8.116
  210    HG3  GLU  27          1HG       GLU  27   3.973  -4.007   6.796
  211    H    GLY  28           HN       GLY  28   4.758  -8.306   4.211
  212    HA2  GLY  28          2HA       GLY  28   4.382 -10.610   3.820
  213    HA3  GLY  28          1HA       GLY  28   2.959 -10.526   4.841
  214    H    PHE  29           HN       PHE  29   3.443  -8.155   2.367
  215    HA   PHE  29           HA       PHE  29   1.363  -9.461   0.773
  216    HB2  PHE  29          2HB       PHE  29   2.007  -6.523   1.116
  217    HB3  PHE  29          1HB       PHE  29   0.817  -7.143  -0.023
  218    HD1  PHE  29          1HD       PHE  29  -1.085  -8.483   0.891
  219    HD2  PHE  29          2HD       PHE  29   1.424  -6.096   3.334
  220    HE1  PHE  29          1HE       PHE  29  -2.792  -8.496   2.619
  221    HE2  PHE  29          2HE       PHE  29  -0.288  -6.082   5.099
  222    HZ   PHE  29           HZ       PHE  29  -2.407  -7.283   4.756
  223    HA   PRO  30           HA       PRO  30   4.242  -9.577  -2.609
  224    HB2  PRO  30          2HB       PRO  30   2.655  -8.770  -4.732
  225    HB3  PRO  30          1HB       PRO  30   2.690 -10.410  -4.081
  226    HG2  PRO  30          2HG       PRO  30   0.741  -8.206  -3.567
  227    HG3  PRO  30          1HG       PRO  30   0.439  -9.940  -3.766
  228    HD2  PRO  30          2HD       PRO  30   0.445  -8.774  -1.338
  229    HD3  PRO  30          1HD       PRO  30   1.041 -10.421  -1.587
  230    H    GLY  31           HN       GLY  31   2.121  -6.705  -2.671
  231    HA2  GLY  31          2HA       GLY  31   4.402  -4.975  -2.789
  232    HA3  GLY  31          1HA       GLY  31   3.428  -4.994  -4.257
  233    H    GLY  32           HN       GLY  32   3.377  -2.654  -3.376
  234    HA2  GLY  32          2HA       GLY  32   0.816  -2.300  -2.139
  235    HA3  GLY  32          1HA       GLY  32   2.197  -1.637  -1.251
  236    H    ARG  33           HN       ARG  33  -0.041  -0.336  -2.675
  237    HA   ARG  33           HA       ARG  33   1.559   1.473  -4.286
  238    HB2  ARG  33          2HB       ARG  33  -0.049   1.379  -6.150
  239    HB3  ARG  33          1HB       ARG  33   0.786  -0.148  -5.918
  240    HG2  ARG  33          2HG       ARG  33  -1.117  -1.129  -4.900
  241    HG3  ARG  33          1HG       ARG  33  -1.940   0.426  -4.809
  242    HD2  ARG  33          2HD       ARG  33  -1.152  -0.969  -7.348
  243    HD3  ARG  33          1HD       ARG  33  -2.765  -1.011  -6.634
  244    HE   ARG  33           HE       ARG  33  -1.956   1.657  -6.965
  245   HH11  ARG  33          1HH1      ARG  33  -2.985  -1.133  -8.829
  246   HH12  ARG  33          2HH1      ARG  33  -3.565  -0.257 -10.163
  247   HH21  ARG  33          1HH2      ARG  33  -2.759   2.942  -8.811
  248   HH22  ARG  33          2HH2      ARG  33  -3.434   2.134 -10.142
  249    H    CYS  34           HN       CYS  34  -0.148   3.214  -5.149
  250    HA   CYS  34           HA       CYS  34  -1.443   4.243  -2.802
  251    HB2  CYS  34          2HB       CYS  34  -1.300   5.274  -5.644
  252    HB3  CYS  34          1HB       CYS  34  -1.988   6.154  -4.283
  253    H    ARG  35           HN       ARG  35  -3.686   4.618  -2.624
  254    HA   ARG  35           HA       ARG  35  -5.284   3.131  -4.578
  255    HB2  ARG  35          2HB       ARG  35  -5.398   2.063  -2.392
  256    HB3  ARG  35          1HB       ARG  35  -5.842   3.578  -1.640
  257    HG2  ARG  35          2HG       ARG  35  -7.754   2.093  -1.824
  258    HG3  ARG  35          1HG       ARG  35  -7.997   3.536  -2.797
  259    HD2  ARG  35          2HD       ARG  35  -6.981   0.940  -3.953
  260    HD3  ARG  35          1HD       ARG  35  -8.698   1.309  -3.831
  261    HE   ARG  35           HE       ARG  35  -7.982   3.400  -5.171
  262   HH11  ARG  35          1HH1      ARG  35  -6.541   0.185  -5.657
  263   HH12  ARG  35          2HH1      ARG  35  -6.388   0.364  -7.327
  264   HH21  ARG  35          1HH2      ARG  35  -7.683   3.677  -7.419
  265   HH22  ARG  35          2HH2      ARG  35  -6.996   2.427  -8.373
  266    H    GLY  36           HN       GLY  36  -6.110   5.542  -2.095
  267    HA2  GLY  36          2HA       GLY  36  -7.703   6.869  -4.082
  268    HA3  GLY  36          1HA       GLY  36  -7.665   7.237  -2.368
  269    H    PHE  37           HN       PHE  37  -7.666   9.393  -3.612
  270    HA   PHE  37           HA       PHE  37  -5.134  10.188  -4.714
  271    HB2  PHE  37          2HB       PHE  37  -7.279  11.009  -5.655
  272    HB3  PHE  37          1HB       PHE  37  -7.614  11.841  -4.147
  273    HD1  PHE  37          1HD       PHE  37  -6.982  14.075  -3.918
  274    HD2  PHE  37          2HD       PHE  37  -5.090  11.680  -6.883
  275    HE1  PHE  37          1HE       PHE  37  -5.810  16.057  -4.769
  276    HE2  PHE  37          2HE       PHE  37  -3.917  13.666  -7.741
  277    HZ   PHE  37           HZ       PHE  37  -4.276  15.857  -6.679
  278    H    ARG  38           HN       ARG  38  -6.124   9.782  -1.580
  279    HA   ARG  38           HA       ARG  38  -4.741  12.147  -0.680
  280    HB2  ARG  38          2HB       ARG  38  -6.293  10.130   0.945
  281    HB3  ARG  38          1HB       ARG  38  -5.506  11.561   1.605
  282    HG2  ARG  38          2HG       ARG  38  -6.875  12.920  -0.016
  283    HG3  ARG  38          1HG       ARG  38  -7.794  11.460  -0.341
  284    HD2  ARG  38          2HD       ARG  38  -7.485  12.805   2.341
  285    HD3  ARG  38          1HD       ARG  38  -8.879  12.916   1.278
  286    HE   ARG  38           HE       ARG  38  -8.421  10.227   1.843
  287   HH11  ARG  38          1HH1      ARG  38  -9.529  13.203   3.411
  288   HH12  ARG  38          2HH1      ARG  38 -10.362  12.416   4.673
  289   HH21  ARG  38          1HH2      ARG  38  -9.614   9.133   3.590
  290   HH22  ARG  38          2HH2      ARG  38 -10.431  10.043   4.765
  291    H    ARG  39           HN       ARG  39  -3.643   9.550  -1.785
  292    HA   ARG  39           HA       ARG  39  -1.638   8.545  -1.842
  293    HB2  ARG  39          2HB       ARG  39  -0.706  10.924  -0.235
  294    HB3  ARG  39          1HB       ARG  39   0.363   9.722  -0.917
  295    HG2  ARG  39          2HG       ARG  39   0.491  11.469  -2.426
  296    HG3  ARG  39          1HG       ARG  39  -0.697  10.409  -3.182
  297    HD2  ARG  39          2HD       ARG  39  -1.405  12.745  -3.262
  298    HD3  ARG  39          1HD       ARG  39  -2.499  11.789  -2.254
  299    HE   ARG  39           HE       ARG  39  -0.317  13.110  -0.923
  300   HH11  ARG  39          1HH1      ARG  39  -3.732  13.331  -1.822
  301   HH12  ARG  39          2HH1      ARG  39  -4.135  14.369  -0.521
  302   HH21  ARG  39          1HH2      ARG  39  -0.876  14.548   0.823
  303   HH22  ARG  39          2HH2      ARG  39  -2.480  15.075   0.998
  304    H    ARG  40           HN       ARG  40  -3.253   7.433   0.162
  305    HA   ARG  40           HA       ARG  40  -1.223   6.823   2.153
  306    HB2  ARG  40          2HB       ARG  40  -3.479   7.266   3.055
  307    HB3  ARG  40          1HB       ARG  40  -4.137   5.967   2.082
  308    HG2  ARG  40          2HG       ARG  40  -3.094   4.315   3.381
  309    HG3  ARG  40          1HG       ARG  40  -1.976   5.483   4.080
  310    HD2  ARG  40          2HD       ARG  40  -3.649   4.789   5.698
  311    HD3  ARG  40          1HD       ARG  40  -3.780   6.503   5.336
  312    HE   ARG  40           HE       ARG  40  -5.615   5.413   3.699
  313   HH11  ARG  40          1HH1      ARG  40  -4.994   5.119   7.168
  314   HH12  ARG  40          2HH1      ARG  40  -6.598   4.787   7.589
  315   HH21  ARG  40          1HH2      ARG  40  -7.834   5.019   4.263
  316   HH22  ARG  40          2HH2      ARG  40  -8.287   4.729   5.884
  317    H    CYS  41           HN       CYS  41  -0.333   4.805   2.387
  318    HA   CYS  41           HA       CYS  41  -0.098   3.414  -0.097
  319    HB2  CYS  41          2HB       CYS  41   1.870   3.834   1.310
  320    HB3  CYS  41          1HB       CYS  41   1.151   2.902   2.612
  321    H    PHE  42           HN       PHE  42  -1.200   1.721  -0.710
  322    HA   PHE  42           HA       PHE  42  -2.611   0.162   1.299
  323    HB2  PHE  42          2HB       PHE  42  -3.524   1.252  -1.311
  324    HB3  PHE  42          1HB       PHE  42  -4.191  -0.268  -0.755
  325    HD1  PHE  42          1HD       PHE  42  -5.958  -0.296   0.718
  326    HD2  PHE  42          2HD       PHE  42  -3.710   3.279   0.270
  327    HE1  PHE  42          1HE       PHE  42  -7.598   0.902   2.105
  328    HE2  PHE  42          2HE       PHE  42  -5.349   4.485   1.651
  329    HZ   PHE  42           HZ       PHE  42  -7.287   3.297   2.574
  330    H    CYS  43           HN       CYS  43  -2.120  -1.802   1.353
  331    HA   CYS  43           HA       CYS  43  -0.102  -2.878  -0.378
  332    HB2  CYS  43          2HB       CYS  43  -1.565  -4.090   1.958
  333    HB3  CYS  43          1HB       CYS  43  -0.073  -4.685   1.233
  334    H    THR  44           HN       THR  44  -0.465  -4.253  -1.997
  335    HA   THR  44           HA       THR  44  -3.165  -4.901  -2.695
  336    HB   THR  44           HB       THR  44  -0.568  -5.630  -4.077
  337    HG1  THR  44          1HG       THR  44  -0.789  -3.684  -5.156
  338   HG21  THR  44          1HG2      THR  44  -1.989  -5.756  -6.087
  339   HG22  THR  44          2HG2      THR  44  -3.405  -5.355  -5.116
  340   HG23  THR  44          3HG2      THR  44  -2.560  -6.880  -4.852
  341    H    THR  45           HN       THR  45  -4.092  -6.782  -2.326
  342    HA   THR  45           HA       THR  45  -2.485  -9.110  -1.714
  343    HB   THR  45           HB       THR  45  -3.216  -8.055   0.447
  344    HG1  THR  45          1HG       THR  45  -4.425 -10.104   1.128
  345   HG21  THR  45          1HG2      THR  45  -5.363  -7.105  -0.297
  346   HG22  THR  45          2HG2      THR  45  -5.590  -8.161   1.096
  347   HG23  THR  45          3HG2      THR  45  -6.004  -8.733  -0.520
  348    H    HIS  46           HN       HIS  46  -4.270 -11.029  -1.565
  349    HA   HIS  46           HA       HIS  46  -5.726 -10.758  -4.117
  350    HB2  HIS  46          2HB       HIS  46  -3.761 -12.301  -4.057
  351    HB3  HIS  46          1HB       HIS  46  -4.601 -13.259  -2.850
  352    HD1  HIS  46          1HD       HIS  46  -4.222 -12.800  -6.459
  353    HD2  HIS  46          2HD       HIS  46  -6.903 -14.631  -3.885
  354    HE1  HIS  46          1HE       HIS  46  -5.534 -14.412  -7.863
  355    H    CYS  47           HN       CYS  47  -7.878 -11.289  -4.200
  356    HA   CYS  47           HA       CYS  47  -9.018 -12.527  -1.849
  357    HB2  CYS  47          2HB       CYS  47 -10.325 -10.474  -3.625
  358    HB3  CYS  47          1HB       CYS  47 -11.143 -11.355  -2.346
  Start of MODEL    3
    1    H1   ARG   1          1HT       ARG   1 -10.048 -12.108  -7.307
    2    H2   ARG   1          2HT       ARG   1  -9.395 -11.880  -5.777
    3    H3   ARG   1          3HT       ARG   1  -8.383 -11.918  -7.126
    4    HA   ARG   1           HA       ARG   1  -9.400  -9.882  -7.973
    5    HB2  ARG   1          2HB       ARG   1 -10.691  -9.878  -5.233
    6    HB3  ARG   1          1HB       ARG   1 -10.742  -8.561  -6.387
    7    HG2  ARG   1          2HG       ARG   1 -11.959 -11.279  -6.800
    8    HG3  ARG   1          1HG       ARG   1 -12.831  -9.842  -6.271
    9    HD2  ARG   1          2HD       ARG   1 -12.195  -8.727  -8.387
   10    HD3  ARG   1          1HD       ARG   1 -11.410 -10.223  -8.902
   11    HE   ARG   1           HE       ARG   1 -13.882 -11.023  -8.259
   12   HH11  ARG   1          1HH1      ARG   1 -12.677  -8.540 -10.484
   13   HH12  ARG   1          2HH1      ARG   1 -14.062  -8.598 -11.481
   14   HH21  ARG   1          1HH2      ARG   1 -15.743 -11.070  -9.633
   15   HH22  ARG   1          2HH2      ARG   1 -15.818 -10.049 -11.001
   16    H    THR   2           HN       THR   2  -7.976  -8.192  -7.669
   17    HA   THR   2           HA       THR   2  -6.129  -8.531  -5.492
   18    HB   THR   2           HB       THR   2  -4.970  -6.520  -6.521
   19    HG1  THR   2          1HG       THR   2  -7.228  -6.364  -7.874
   20   HG21  THR   2          1HG2      THR   2  -4.227  -8.801  -6.984
   21   HG22  THR   2          2HG2      THR   2  -4.059  -7.792  -8.422
   22   HG23  THR   2          3HG2      THR   2  -5.401  -8.929  -8.294
   23    H    CYS   3           HN       CYS   3  -6.467  -7.697  -3.639
   24    HA   CYS   3           HA       CYS   3  -8.292  -5.458  -3.337
   25    HB2  CYS   3          2HB       CYS   3  -7.495  -7.753  -1.532
   26    HB3  CYS   3          1HB       CYS   3  -8.438  -6.368  -0.961
   27    H    GLN   4           HN       GLN   4  -7.589  -3.752  -2.153
   28    HA   GLN   4           HA       GLN   4  -4.711  -3.753  -1.537
   29    HB2  GLN   4          2HB       GLN   4  -6.400  -1.338  -2.302
   30    HB3  GLN   4          1HB       GLN   4  -4.679  -1.357  -1.994
   31    HG2  GLN   4          2HG       GLN   4  -4.904  -1.153  -4.266
   32    HG3  GLN   4          1HG       GLN   4  -4.420  -2.827  -3.996
   33   HE21  GLN   4          1HE2      GLN   4  -5.284  -3.498  -6.024
   34   HE22  GLN   4          2HE2      GLN   4  -6.988  -3.593  -6.258
   35    H    SER   5           HN       SER   5  -4.291  -3.711   0.485
   36    HA   SER   5           HA       SER   5  -6.294  -2.712   2.365
   37    HB2  SER   5          2HB       SER   5  -4.018  -4.665   2.760
   38    HB3  SER   5          1HB       SER   5  -5.214  -4.200   3.969
   39    HG   SER   5           HG       SER   5  -6.076  -5.945   3.201
   40    H    GLN   6           HN       GLN   6  -5.817  -0.846   3.278
   41    HA   GLN   6           HA       GLN   6  -3.565   0.699   2.804
   42    HB2  GLN   6          2HB       GLN   6  -5.675   1.641   3.430
   43    HB3  GLN   6          1HB       GLN   6  -5.610   0.851   4.998
   44    HG2  GLN   6          2HG       GLN   6  -3.816   2.284   5.694
   45    HG3  GLN   6          1HG       GLN   6  -3.694   2.975   4.079
   46   HE21  GLN   6          1HE2      GLN   6  -6.807   2.263   5.455
   47   HE22  GLN   6          2HE2      GLN   6  -7.296   3.889   5.696
   48    H    SER   7           HN       SER   7  -1.579   0.772   3.602
   49    HA   SER   7           HA       SER   7  -0.891  -1.049   5.682
   50    HB2  SER   7          2HB       SER   7   1.472  -0.163   5.145
   51    HB3  SER   7          1HB       SER   7   0.636  -1.093   3.903
   52    HG   SER   7           HG       SER   7   1.151   0.562   2.763
   53    H    HIS   8           HN       HIS   8  -0.767  -0.596   7.709
   54    HA   HIS   8           HA       HIS   8  -1.293   2.064   8.615
   55    HB2  HIS   8          2HB       HIS   8  -2.357   0.091   9.653
   56    HB3  HIS   8          1HB       HIS   8  -0.773  -0.460  10.186
   57    HD1  HIS   8          1HD       HIS   8  -0.342   0.097  12.591
   58    HD2  HIS   8          2HD       HIS   8  -2.836   2.864  10.747
   59    HE1  HIS   8          1HE       HIS   8  -0.980   1.729  14.368
   60    H    ARG   9           HN       ARG   9   1.435  -0.175   8.724
   61    HA   ARG   9           HA       ARG   9   2.987   1.610  10.398
   62    HB2  ARG   9          2HB       ARG   9   4.767  -0.022  10.283
   63    HB3  ARG   9          1HB       ARG   9   3.250  -0.845  10.599
   64    HG2  ARG   9          2HG       ARG   9   3.137  -1.597   8.310
   65    HG3  ARG   9          1HG       ARG   9   4.553  -0.633   7.903
   66    HD2  ARG   9          2HD       ARG   9   4.517  -2.920   9.862
   67    HD3  ARG   9          1HD       ARG   9   5.046  -3.044   8.193
   68    HE   ARG   9           HE       ARG   9   6.432  -1.008   9.681
   69   HH11  ARG   9          1HH1      ARG   9   6.431  -4.496   8.897
   70   HH12  ARG   9          2HH1      ARG   9   8.072  -4.710   9.270
   71   HH21  ARG   9          1HH2      ARG   9   8.729  -1.335  10.158
   72   HH22  ARG   9          2HH2      ARG   9   9.398  -2.884   9.996
   73    H    PHE  10           HN       PHE  10   2.133   2.174   7.484
   74    HA   PHE  10           HA       PHE  10   4.673   2.615   6.178
   75    HB2  PHE  10          2HB       PHE  10   2.745   1.845   4.869
   76    HB3  PHE  10          1HB       PHE  10   1.836   3.269   5.349
   77    HD1  PHE  10          1HD       PHE  10   4.918   2.231   3.576
   78    HD2  PHE  10          2HD       PHE  10   1.878   5.156   4.026
   79    HE1  PHE  10          1HE       PHE  10   5.785   3.421   1.637
   80    HE2  PHE  10          2HE       PHE  10   2.742   6.358   2.075
   81    HZ   PHE  10           HZ       PHE  10   4.701   5.495   0.872
   82    H    ARG  11           HN       ARG  11   5.295   4.795   5.443
   83    HA   ARG  11           HA       ARG  11   4.300   6.876   7.244
   84    HB2  ARG  11          2HB       ARG  11   6.511   7.742   7.432
   85    HB3  ARG  11          1HB       ARG  11   6.503   6.051   7.899
   86    HG2  ARG  11          2HG       ARG  11   7.337   5.530   5.590
   87    HG3  ARG  11          1HG       ARG  11   7.570   7.268   5.375
   88    HD2  ARG  11          2HD       ARG  11   9.637   6.491   6.141
   89    HD3  ARG  11          1HD       ARG  11   8.769   7.198   7.528
   90    HE   ARG  11           HE       ARG  11   8.221   4.464   7.343
   91   HH11  ARG  11          1HH1      ARG  11  10.696   6.703   8.466
   92   HH12  ARG  11          2HH1      ARG  11  11.454   5.577   9.501
   93   HH21  ARG  11          1HH2      ARG  11   9.229   2.926   8.753
   94   HH22  ARG  11          2HH2      ARG  11  10.592   3.350   9.673
   95    H    GLY  12           HN       GLY  12   3.609   8.670   6.289
   96    HA2  GLY  12          2HA       GLY  12   3.460  10.400   4.822
   97    HA3  GLY  12          1HA       GLY  12   4.836   9.736   3.963
   98    HA   PRO  13           HA       PRO  13   1.249   9.114   1.192
   99    HB2  PRO  13          2HB       PRO  13   2.274  10.232  -0.974
  100    HB3  PRO  13          1HB       PRO  13   1.611  11.232   0.325
  101    HG2  PRO  13          2HG       PRO  13   4.464  10.574  -0.293
  102    HG3  PRO  13          1HG       PRO  13   3.760  12.133   0.171
  103    HD2  PRO  13          2HD       PRO  13   5.042  10.461   1.920
  104    HD3  PRO  13          1HD       PRO  13   3.787  11.617   2.399
  105    H    CYS  14           HN       CYS  14   1.074   7.812  -0.682
  106    HA   CYS  14           HA       CYS  14   2.903   5.618  -0.758
  107    HB2  CYS  14          2HB       CYS  14   1.392   4.713  -2.517
  108    HB3  CYS  14          1HB       CYS  14   0.569   5.167  -1.029
  109    H    LEU  15           HN       LEU  15   3.188   8.553  -2.123
  110    HA   LEU  15           HA       LEU  15   4.066   8.004  -4.729
  111    HB2  LEU  15          2HB       LEU  15   4.632  10.285  -2.853
  112    HB3  LEU  15          1HB       LEU  15   5.436  10.180  -4.399
  113    HG   LEU  15           HG       LEU  15   3.197  10.255  -5.518
  114   HD11  LEU  15          1HD1      LEU  15   1.242  10.932  -4.312
  115   HD12  LEU  15          2HD1      LEU  15   2.138  10.954  -2.805
  116   HD13  LEU  15          3HD1      LEU  15   1.848   9.417  -3.632
  117   HD21  LEU  15          1HD2      LEU  15   3.854  12.552  -3.698
  118   HD22  LEU  15          2HD2      LEU  15   2.798  12.635  -5.107
  119   HD23  LEU  15          3HD2      LEU  15   4.510  12.266  -5.308
  120    H    ARG  16           HN       ARG  16   5.634   7.764  -1.641
  121    HA   ARG  16           HA       ARG  16   8.176   7.095  -2.840
  122    HB2  ARG  16          2HB       ARG  16   8.046   8.227  -0.611
  123    HB3  ARG  16          1HB       ARG  16   7.216   6.812   0.013
  124    HG2  ARG  16          2HG       ARG  16   9.212   5.466  -0.343
  125    HG3  ARG  16          1HG       ARG  16  10.048   6.878  -1.000
  126    HD2  ARG  16          2HD       ARG  16   9.900   8.032   1.083
  127    HD3  ARG  16          1HD       ARG  16   8.838   6.798   1.755
  128    HE   ARG  16           HE       ARG  16  11.270   5.637   0.976
  129   HH11  ARG  16          1HH1      ARG  16  10.091   7.928   3.386
  130   HH12  ARG  16          2HH1      ARG  16  11.152   7.423   4.609
  131   HH21  ARG  16          1HH2      ARG  16  12.703   4.899   2.704
  132   HH22  ARG  16          2HH2      ARG  16  12.645   5.659   4.233
  133    H    ARG  17           HN       ARG  17   7.400   5.588  -4.167
  134    HA   ARG  17           HA       ARG  17   5.751   3.421  -3.540
  135    HB2  ARG  17          2HB       ARG  17   7.593   3.908  -5.858
  136    HB3  ARG  17          1HB       ARG  17   6.413   2.601  -5.789
  137    HG2  ARG  17          2HG       ARG  17   4.594   4.081  -5.832
  138    HG3  ARG  17          1HG       ARG  17   5.602   5.462  -5.397
  139    HD2  ARG  17          2HD       ARG  17   5.766   3.929  -7.979
  140    HD3  ARG  17          1HD       ARG  17   4.948   5.483  -7.769
  141    HE   ARG  17           HE       ARG  17   7.404   5.978  -6.834
  142   HH11  ARG  17          1HH1      ARG  17   6.294   4.672  -9.940
  143   HH12  ARG  17          2HH1      ARG  17   7.695   5.158 -10.781
  144   HH21  ARG  17          1HH2      ARG  17   9.264   6.649  -7.977
  145   HH22  ARG  17          2HH2      ARG  17   9.418   6.325  -9.650
  146    H    SER  18           HN       SER  18   9.232   3.729  -3.479
  147    HA   SER  18           HA       SER  18   9.771   0.960  -3.387
  148    HB2  SER  18          2HB       SER  18  11.488   2.654  -3.951
  149    HB3  SER  18          1HB       SER  18  11.419   3.261  -2.299
  150    HG   SER  18           HG       SER  18  11.856   0.665  -2.108
  151    H    ASN  19           HN       ASN  19   9.103   3.393  -0.925
  152    HA   ASN  19           HA       ASN  19   9.620   1.642   1.282
  153    HB2  ASN  19          2HB       ASN  19   9.707   4.105   1.508
  154    HB3  ASN  19          1HB       ASN  19   7.985   4.186   1.184
  155   HD21  ASN  19          1HD2      ASN  19   9.545   1.756   3.286
  156   HD22  ASN  19          2HD2      ASN  19   8.806   2.342   4.716
  157    H    CYS  20           HN       CYS  20   6.780   2.672  -0.506
  158    HA   CYS  20           HA       CYS  20   4.789   1.391   0.978
  159    HB2  CYS  20          2HB       CYS  20   4.324   3.059  -0.773
  160    HB3  CYS  20          1HB       CYS  20   4.935   1.965  -1.998
  161    H    ALA  21           HN       ALA  21   6.587   0.215  -1.880
  162    HA   ALA  21           HA       ALA  21   5.435  -2.346  -1.848
  163    HB1  ALA  21          1HB       ALA  21   7.162  -2.919  -3.457
  164    HB2  ALA  21          2HB       ALA  21   8.061  -1.461  -3.036
  165    HB3  ALA  21          3HB       ALA  21   6.492  -1.331  -3.824
  166    H    ASN  22           HN       ASN  22   8.272  -0.995  -0.250
  167    HA   ASN  22           HA       ASN  22   9.438  -3.434   0.604
  168    HB2  ASN  22          2HB       ASN  22  10.612  -1.250   0.649
  169    HB3  ASN  22          1HB       ASN  22   9.557  -0.729   1.951
  170   HD21  ASN  22          1HD2      ASN  22  11.198  -0.440   3.404
  171   HD22  ASN  22          2HD2      ASN  22  12.060  -1.742   4.120
  172    H    VAL  23           HN       VAL  23   7.294  -1.141   2.264
  173    HA   VAL  23           HA       VAL  23   7.008  -2.522   4.671
  174    HB   VAL  23           HB       VAL  23   5.153  -0.562   3.272
  175   HG11  VAL  23          1HG1      VAL  23   3.972  -0.316   5.416
  176   HG12  VAL  23          2HG1      VAL  23   4.910  -1.658   6.079
  177   HG13  VAL  23          3HG1      VAL  23   3.783  -1.938   4.753
  178   HG21  VAL  23          1HG2      VAL  23   7.277   0.357   4.005
  179   HG22  VAL  23          2HG2      VAL  23   7.014  -0.284   5.626
  180   HG23  VAL  23          3HG2      VAL  23   5.964   0.985   5.003
  181    H    CYS  24           HN       CYS  24   4.956  -2.530   1.801
  182    HA   CYS  24           HA       CYS  24   3.167  -4.432   2.735
  183    HB2  CYS  24          2HB       CYS  24   3.959  -3.656  -0.059
  184    HB3  CYS  24          1HB       CYS  24   2.589  -4.701   0.291
  185    H    ARG  25           HN       ARG  25   6.219  -4.822   1.013
  186    HA   ARG  25           HA       ARG  25   5.994  -7.573   0.516
  187    HB2  ARG  25          2HB       ARG  25   7.615  -6.139  -0.598
  188    HB3  ARG  25          1HB       ARG  25   8.456  -5.888   0.919
  189    HG2  ARG  25          2HG       ARG  25   9.047  -8.263   0.981
  190    HG3  ARG  25          1HG       ARG  25   8.209  -8.511  -0.546
  191    HD2  ARG  25          2HD       ARG  25  10.613  -8.239  -0.884
  192    HD3  ARG  25          1HD       ARG  25   9.696  -6.953  -1.655
  193    HE   ARG  25           HE       ARG  25  10.485  -6.257   0.975
  194   HH11  ARG  25          1HH1      ARG  25  11.683  -6.511  -2.311
  195   HH12  ARG  25          2HH1      ARG  25  12.905  -5.349  -2.154
  196   HH21  ARG  25          1HH2      ARG  25  12.135  -4.568   1.243
  197   HH22  ARG  25          2HH2      ARG  25  13.176  -4.224  -0.061
  198    H    THR  26           HN       THR  26   7.470  -5.820   3.264
  199    HA   THR  26           HA       THR  26   8.231  -8.266   4.480
  200    HB   THR  26           HB       THR  26   9.537  -6.276   5.045
  201    HG1  THR  26          1HG       THR  26   8.144  -7.564   7.133
  202   HG21  THR  26          1HG2      THR  26   8.634  -4.518   6.521
  203   HG22  THR  26          2HG2      THR  26   7.048  -5.284   6.452
  204   HG23  THR  26          3HG2      THR  26   7.753  -4.587   4.993
  205    H    GLU  27           HN       GLU  27   5.309  -6.369   4.601
  206    HA   GLU  27           HA       GLU  27   4.357  -7.844   6.859
  207    HB2  GLU  27          2HB       GLU  27   2.859  -6.017   4.964
  208    HB3  GLU  27          1HB       GLU  27   2.173  -6.726   6.422
  209    HG2  GLU  27          2HG       GLU  27   4.438  -4.753   6.258
  210    HG3  GLU  27          1HG       GLU  27   2.803  -4.443   6.829
  211    H    GLY  28           HN       GLY  28   4.792  -8.672   3.701
  212    HA2  GLY  28          2HA       GLY  28   4.503 -10.938   3.050
  213    HA3  GLY  28          1HA       GLY  28   3.105 -11.036   4.106
  214    H    PHE  29           HN       PHE  29   3.547  -8.386   1.868
  215    HA   PHE  29           HA       PHE  29   1.399  -9.522   0.251
  216    HB2  PHE  29          2HB       PHE  29   1.922  -6.623   0.925
  217    HB3  PHE  29          1HB       PHE  29   0.657  -7.195  -0.164
  218    HD1  PHE  29          1HD       PHE  29  -0.945  -8.932   0.810
  219    HD2  PHE  29          2HD       PHE  29   1.442  -6.341   3.164
  220    HE1  PHE  29          1HE       PHE  29  -2.445  -9.290   2.677
  221    HE2  PHE  29          2HE       PHE  29  -0.056  -6.680   5.076
  222    HZ   PHE  29           HZ       PHE  29  -2.010  -8.162   4.854
  223    HA   PRO  30           HA       PRO  30   4.160  -9.586  -3.148
  224    HB2  PRO  30          2HB       PRO  30   2.342  -9.099  -5.169
  225    HB3  PRO  30          1HB       PRO  30   2.630 -10.674  -4.423
  226    HG2  PRO  30          2HG       PRO  30   0.486  -8.669  -3.853
  227    HG3  PRO  30          1HG       PRO  30   0.371 -10.434  -3.963
  228    HD2  PRO  30          2HD       PRO  30   0.412  -9.213  -1.588
  229    HD3  PRO  30          1HD       PRO  30   1.265 -10.745  -1.833
  230    H    GLY  31           HN       GLY  31   2.085  -6.769  -2.757
  231    HA2  GLY  31          2HA       GLY  31   4.197  -5.027  -3.438
  232    HA3  GLY  31          1HA       GLY  31   3.043  -5.141  -4.762
  233    H    GLY  32           HN       GLY  32   3.095  -2.765  -3.980
  234    HA2  GLY  32          2HA       GLY  32   0.683  -2.419  -2.404
  235    HA3  GLY  32          1HA       GLY  32   2.140  -1.575  -1.872
  236    H    ARG  33           HN       ARG  33  -0.414  -0.556  -2.919
  237    HA   ARG  33           HA       ARG  33   0.703   1.208  -4.921
  238    HB2  ARG  33          2HB       ARG  33  -1.268   0.984  -6.407
  239    HB3  ARG  33          1HB       ARG  33  -0.309  -0.485  -6.328
  240    HG2  ARG  33          2HG       ARG  33  -1.936  -1.594  -5.054
  241    HG3  ARG  33          1HG       ARG  33  -2.759  -0.084  -4.651
  242    HD2  ARG  33          2HD       ARG  33  -2.518  -1.157  -7.454
  243    HD3  ARG  33          1HD       ARG  33  -3.900  -1.476  -6.404
  244    HE   ARG  33           HE       ARG  33  -3.893   1.149  -6.299
  245   HH11  ARG  33          1HH1      ARG  33  -3.265  -0.801  -9.208
  246   HH12  ARG  33          2HH1      ARG  33  -4.023   0.286 -10.251
  247   HH21  ARG  33          1HH2      ARG  33  -4.974   2.618  -7.767
  248   HH22  ARG  33          2HH2      ARG  33  -5.017   2.252  -9.423
  249    H    CYS  34           HN       CYS  34  -1.260   2.779  -5.527
  250    HA   CYS  34           HA       CYS  34  -2.086   3.863  -2.973
  251    HB2  CYS  34          2HB       CYS  34  -2.227   5.022  -5.762
  252    HB3  CYS  34          1HB       CYS  34  -2.566   5.882  -4.266
  253    H    ARG  35           HN       ARG  35  -4.215   4.372  -2.521
  254    HA   ARG  35           HA       ARG  35  -6.320   3.818  -4.461
  255    HB2  ARG  35          2HB       ARG  35  -6.407   1.769  -3.113
  256    HB3  ARG  35          1HB       ARG  35  -6.360   2.705  -1.622
  257    HG2  ARG  35          2HG       ARG  35  -8.556   3.716  -2.250
  258    HG3  ARG  35          1HG       ARG  35  -8.613   2.638  -3.637
  259    HD2  ARG  35          2HD       ARG  35  -8.386   1.659  -0.797
  260    HD3  ARG  35          1HD       ARG  35  -9.934   1.938  -1.580
  261    HE   ARG  35           HE       ARG  35  -8.357   0.241  -3.172
  262   HH11  ARG  35          1HH1      ARG  35 -10.246   0.211  -0.165
  263   HH12  ARG  35          2HH1      ARG  35 -10.592  -1.444  -0.212
  264   HH21  ARG  35          1HH2      ARG  35  -8.855  -2.055  -3.254
  265   HH22  ARG  35          2HH2      ARG  35  -9.800  -2.761  -2.007
  266    H    GLY  36           HN       GLY  36  -5.594   4.972  -1.202
  267    HA2  GLY  36          2HA       GLY  36  -7.728   6.745  -0.924
  268    HA3  GLY  36          1HA       GLY  36  -6.203   6.842  -0.057
  269    H    PHE  37           HN       PHE  37  -8.043   8.805  -1.379
  270    HA   PHE  37           HA       PHE  37  -6.892   9.980  -3.648
  271    HB2  PHE  37          2HB       PHE  37  -9.204  10.375  -2.869
  272    HB3  PHE  37          1HB       PHE  37  -8.580  11.241  -1.475
  273    HD1  PHE  37          1HD       PHE  37  -9.084  11.328  -5.092
  274    HD2  PHE  37          2HD       PHE  37  -7.779  13.511  -1.680
  275    HE1  PHE  37          1HE       PHE  37  -9.141  13.401  -6.391
  276    HE2  PHE  37          2HE       PHE  37  -7.838  15.588  -2.986
  277    HZ   PHE  37           HZ       PHE  37  -8.516  15.532  -5.339
  278    H    ARG  38           HN       ARG  38  -6.276  10.384  -0.235
  279    HA   ARG  38           HA       ARG  38  -4.549  12.678  -0.610
  280    HB2  ARG  38          2HB       ARG  38  -4.963  10.973   1.860
  281    HB3  ARG  38          1HB       ARG  38  -4.165  12.533   1.799
  282    HG2  ARG  38          2HG       ARG  38  -6.195  13.639   1.218
  283    HG3  ARG  38          1HG       ARG  38  -7.039  12.103   1.037
  284    HD2  ARG  38          2HD       ARG  38  -6.637  11.654   3.424
  285    HD3  ARG  38          1HD       ARG  38  -5.907  13.254   3.579
  286    HE   ARG  38           HE       ARG  38  -8.244  13.908   2.572
  287   HH11  ARG  38          1HH1      ARG  38  -7.505  11.665   5.187
  288   HH12  ARG  38          2HH1      ARG  38  -9.006  11.844   5.967
  289   HH21  ARG  38          1HH2      ARG  38 -10.317  14.167   3.634
  290   HH22  ARG  38          2HH2      ARG  38 -10.634  13.293   5.058
  291    H    ARG  39           HN       ARG  39  -4.232   9.689  -1.448
  292    HA   ARG  39           HA       ARG  39  -2.650   8.360  -2.141
  293    HB2  ARG  39          2HB       ARG  39  -0.824  10.724  -1.749
  294    HB3  ARG  39          1HB       ARG  39  -0.391   9.254  -2.610
  295    HG2  ARG  39          2HG       ARG  39  -2.632  11.123  -3.372
  296    HG3  ARG  39          1HG       ARG  39  -1.043  11.066  -4.136
  297    HD2  ARG  39          2HD       ARG  39  -1.442   8.832  -4.928
  298    HD3  ARG  39          1HD       ARG  39  -2.938   8.714  -4.012
  299    HE   ARG  39           HE       ARG  39  -3.017  10.896  -5.781
  300   HH11  ARG  39          1HH1      ARG  39  -3.114   7.372  -5.823
  301   HH12  ARG  39          2HH1      ARG  39  -4.235   7.262  -7.089
  302   HH21  ARG  39          1HH2      ARG  39  -4.589  10.756  -7.559
  303   HH22  ARG  39          2HH2      ARG  39  -5.065   9.207  -8.097
  304    H    ARG  40           HN       ARG  40  -3.217   7.259  -0.222
  305    HA   ARG  40           HA       ARG  40  -0.916   6.938   1.567
  306    HB2  ARG  40          2HB       ARG  40  -3.160   7.343   2.611
  307    HB3  ARG  40          1HB       ARG  40  -3.749   5.896   1.832
  308    HG2  ARG  40          2HG       ARG  40  -3.285   5.424   4.139
  309    HG3  ARG  40          1HG       ARG  40  -2.128   4.563   3.126
  310    HD2  ARG  40          2HD       ARG  40  -0.457   6.309   3.568
  311    HD3  ARG  40          1HD       ARG  40  -1.629   7.156   4.582
  312    HE   ARG  40           HE       ARG  40  -1.497   4.652   5.626
  313   HH11  ARG  40          1HH1      ARG  40   0.938   7.199   5.032
  314   HH12  ARG  40          2HH1      ARG  40   1.872   6.731   6.370
  315   HH21  ARG  40          1HH2      ARG  40  -0.164   4.062   7.397
  316   HH22  ARG  40          2HH2      ARG  40   1.283   4.928   7.706
  317    H    CYS  41           HN       CYS  41  -0.068   4.793   1.841
  318    HA   CYS  41           HA       CYS  41  -0.137   3.211  -0.544
  319    HB2  CYS  41          2HB       CYS  41   1.981   3.542   0.590
  320    HB3  CYS  41          1HB       CYS  41   1.327   2.886   2.080
  321    H    PHE  42           HN       PHE  42  -1.190   1.425  -0.914
  322    HA   PHE  42           HA       PHE  42  -2.500   0.015   1.274
  323    HB2  PHE  42          2HB       PHE  42  -3.594   0.601  -1.502
  324    HB3  PHE  42          1HB       PHE  42  -4.198  -0.613  -0.372
  325    HD1  PHE  42          1HD       PHE  42  -6.171  -0.105   0.475
  326    HD2  PHE  42          2HD       PHE  42  -3.366   3.028  -0.044
  327    HE1  PHE  42          1HE       PHE  42  -7.759   1.472   1.498
  328    HE2  PHE  42          2HE       PHE  42  -4.959   4.626   0.979
  329    HZ   PHE  42           HZ       PHE  42  -7.154   3.840   1.744
  330    H    CYS  43           HN       CYS  43  -1.716  -1.901   1.413
  331    HA   CYS  43           HA       CYS  43   0.077  -3.034  -0.468
  332    HB2  CYS  43          2HB       CYS  43  -1.224  -4.162   2.005
  333    HB3  CYS  43          1HB       CYS  43   0.092  -4.926   1.114
  334    H    THR  44           HN       THR  44  -0.307  -4.514  -1.981
  335    HA   THR  44           HA       THR  44  -3.081  -5.057  -2.566
  336    HB   THR  44           HB       THR  44  -0.603  -5.715  -4.166
  337    HG1  THR  44          1HG       THR  44  -1.534  -3.402  -3.497
  338   HG21  THR  44          1HG2      THR  44  -3.518  -5.420  -4.962
  339   HG22  THR  44          2HG2      THR  44  -2.654  -6.950  -4.825
  340   HG23  THR  44          3HG2      THR  44  -2.186  -5.782  -6.059
  341    H    THR  45           HN       THR  45  -3.975  -6.882  -2.083
  342    HA   THR  45           HA       THR  45  -2.383  -9.280  -1.678
  343    HB   THR  45           HB       THR  45  -2.874  -8.330   0.530
  344    HG1  THR  45          1HG       THR  45  -4.725 -10.168   0.881
  345   HG21  THR  45          1HG2      THR  45  -4.812  -6.964  -0.067
  346   HG22  THR  45          2HG2      THR  45  -5.146  -7.985   1.328
  347   HG23  THR  45          3HG2      THR  45  -5.784  -8.426  -0.259
  348    H    HIS  46           HN       HIS  46  -3.959 -11.172  -1.748
  349    HA   HIS  46           HA       HIS  46  -5.835 -10.583  -3.909
  350    HB2  HIS  46          2HB       HIS  46  -4.042 -12.093  -4.572
  351    HB3  HIS  46          1HB       HIS  46  -4.442 -13.187  -3.251
  352    HD1  HIS  46          1HD       HIS  46  -6.195 -14.926  -3.724
  353    HD2  HIS  46          2HD       HIS  46  -6.028 -11.966  -6.619
  354    HE1  HIS  46          1HE       HIS  46  -7.778 -15.665  -5.539
  355    H    CYS  47           HN       CYS  47  -7.886 -10.807  -3.628
  356    HA   CYS  47           HA       CYS  47  -8.858 -12.276  -1.348
  357    HB2  CYS  47          2HB       CYS  47 -10.302 -10.367  -3.203
  358    HB3  CYS  47          1HB       CYS  47 -11.066 -11.218  -1.869
  Start of MODEL    4
    1    H1   ARG   1          1HT       ARG   1  -8.005 -12.704  -7.300
    2    H2   ARG   1          2HT       ARG   1  -7.611 -11.736  -8.593
    3    H3   ARG   1          3HT       ARG   1  -8.980 -12.688  -8.684
    4    HA   ARG   1           HA       ARG   1  -9.584 -10.401  -8.292
    5    HB2  ARG   1          2HB       ARG   1  -9.859 -12.063  -5.774
    6    HB3  ARG   1          1HB       ARG   1 -10.807 -10.635  -6.155
    7    HG2  ARG   1          2HG       ARG   1 -10.808 -13.172  -7.771
    8    HG3  ARG   1          1HG       ARG   1 -12.010 -12.753  -6.555
    9    HD2  ARG   1          2HD       ARG   1 -12.667 -10.812  -7.827
   10    HD3  ARG   1          1HD       ARG   1 -11.402 -11.116  -9.014
   11    HE   ARG   1           HE       ARG   1 -13.238 -13.287  -8.628
   12   HH11  ARG   1          1HH1      ARG   1 -12.639 -10.297 -10.456
   13   HH12  ARG   1          2HH1      ARG   1 -13.597 -10.791 -11.772
   14   HH21  ARG   1          1HH2      ARG   1 -14.568 -13.897 -10.461
   15   HH22  ARG   1          2HH2      ARG   1 -14.706 -12.807 -11.761
   16    H    THR   2           HN       THR   2  -8.396  -8.602  -7.997
   17    HA   THR   2           HA       THR   2  -6.289  -8.626  -5.999
   18    HB   THR   2           HB       THR   2  -7.024  -6.274  -7.675
   19    HG1  THR   2          1HG       THR   2  -6.535  -8.590  -8.709
   20   HG21  THR   2          1HG2      THR   2  -4.393  -7.325  -6.639
   21   HG22  THR   2          2HG2      THR   2  -5.307  -5.967  -5.985
   22   HG23  THR   2          3HG2      THR   2  -4.591  -5.856  -7.594
   23    H    CYS   3           HN       CYS   3  -6.282  -7.333  -4.306
   24    HA   CYS   3           HA       CYS   3  -8.502  -5.556  -3.735
   25    HB2  CYS   3          2HB       CYS   3  -7.523  -7.785  -1.929
   26    HB3  CYS   3          1HB       CYS   3  -8.638  -6.519  -1.427
   27    H    GLN   4           HN       GLN   4  -7.877  -4.192  -1.849
   28    HA   GLN   4           HA       GLN   4  -5.002  -4.035  -1.490
   29    HB2  GLN   4          2HB       GLN   4  -6.792  -1.904  -2.532
   30    HB3  GLN   4          1HB       GLN   4  -5.397  -1.433  -1.600
   31    HG2  GLN   4          2HG       GLN   4  -4.003  -2.753  -3.213
   32    HG3  GLN   4          1HG       GLN   4  -5.461  -2.966  -4.187
   33   HE21  GLN   4          1HE2      GLN   4  -3.091  -0.731  -3.028
   34   HE22  GLN   4          2HE2      GLN   4  -3.475   0.552  -4.104
   35    H    SER   5           HN       SER   5  -4.458  -3.890   0.520
   36    HA   SER   5           HA       SER   5  -6.461  -3.008   2.491
   37    HB2  SER   5          2HB       SER   5  -5.764  -5.423   2.653
   38    HB3  SER   5          1HB       SER   5  -4.103  -4.890   2.886
   39    HG   SER   5           HG       SER   5  -5.948  -5.234   4.707
   40    H    GLN   6           HN       GLN   6  -5.857  -1.273   3.722
   41    HA   GLN   6           HA       GLN   6  -3.712   0.300   2.853
   42    HB2  GLN   6          2HB       GLN   6  -4.248   1.784   4.736
   43    HB3  GLN   6          1HB       GLN   6  -5.672   1.305   3.828
   44    HG2  GLN   6          2HG       GLN   6  -6.213  -0.340   5.569
   45    HG3  GLN   6          1HG       GLN   6  -4.794   0.171   6.477
   46   HE21  GLN   6          1HE2      GLN   6  -6.891   2.358   4.716
   47   HE22  GLN   6          2HE2      GLN   6  -7.536   3.142   6.100
   48    H    SER   7           HN       SER   7  -1.629   0.522   3.458
   49    HA   SER   7           HA       SER   7  -0.361  -1.404   5.038
   50    HB2  SER   7          2HB       SER   7   0.659   1.356   4.422
   51    HB3  SER   7          1HB       SER   7   1.572  -0.154   4.530
   52    HG   SER   7           HG       SER   7   0.792  -0.786   2.593
   53    H    HIS   8           HN       HIS   8   0.244  -1.276   7.213
   54    HA   HIS   8           HA       HIS   8  -1.166   0.831   8.669
   55    HB2  HIS   8          2HB       HIS   8  -1.744  -1.547   9.173
   56    HB3  HIS   8          1HB       HIS   8  -0.098  -1.784   9.750
   57    HD1  HIS   8          1HD       HIS   8   0.176  -1.439  12.246
   58    HD2  HIS   8          2HD       HIS   8  -3.117   0.559  10.685
   59    HE1  HIS   8          1HE       HIS   8  -0.979  -0.373  14.204
   60    H    ARG   9           HN       ARG   9   1.999  -0.537   8.151
   61    HA   ARG   9           HA       ARG   9   3.032   1.235  10.262
   62    HB2  ARG   9          2HB       ARG   9   5.063  -0.104  10.252
   63    HB3  ARG   9          1HB       ARG   9   3.651  -1.116  10.496
   64    HG2  ARG   9          2HG       ARG   9   3.762  -1.603   8.009
   65    HG3  ARG   9          1HG       ARG   9   5.360  -0.851   8.057
   66    HD2  ARG   9          2HD       ARG   9   5.475  -3.264   8.265
   67    HD3  ARG   9          1HD       ARG   9   6.077  -2.485   9.749
   68    HE   ARG   9           HE       ARG   9   3.407  -3.700   9.401
   69   HH11  ARG   9          1HH1      ARG   9   6.047  -2.810  11.559
   70   HH12  ARG   9          2HH1      ARG   9   5.552  -3.842  12.811
   71   HH21  ARG   9          1HH2      ARG   9   2.704  -5.075  11.130
   72   HH22  ARG   9          2HH2      ARG   9   3.605  -5.150  12.571
   73    H    PHE  10           HN       PHE  10   2.365   1.568   7.278
   74    HA   PHE  10           HA       PHE  10   4.793   2.632   6.175
   75    HB2  PHE  10          2HB       PHE  10   2.970   1.645   4.792
   76    HB3  PHE  10          1HB       PHE  10   1.932   2.981   5.266
   77    HD1  PHE  10          1HD       PHE  10   2.065   5.070   4.165
   78    HD2  PHE  10          2HD       PHE  10   4.975   2.068   3.422
   79    HE1  PHE  10          1HE       PHE  10   2.912   6.362   2.274
   80    HE2  PHE  10          2HE       PHE  10   5.832   3.353   1.533
   81    HZ   PHE  10           HZ       PHE  10   4.798   5.509   0.943
   82    H    ARG  11           HN       ARG  11   5.453   4.702   6.203
   83    HA   ARG  11           HA       ARG  11   3.738   6.666   7.547
   84    HB2  ARG  11          2HB       ARG  11   5.781   7.786   8.302
   85    HB3  ARG  11          1HB       ARG  11   5.697   6.134   8.892
   86    HG2  ARG  11          2HG       ARG  11   7.252   5.441   7.144
   87    HG3  ARG  11          1HG       ARG  11   7.353   7.107   6.575
   88    HD2  ARG  11          2HD       ARG  11   8.219   7.777   8.738
   89    HD3  ARG  11          1HD       ARG  11   8.102   6.107   9.299
   90    HE   ARG  11           HE       ARG  11   9.732   6.716   6.949
   91   HH11  ARG  11          1HH1      ARG  11   9.608   5.617  10.346
   92   HH12  ARG  11          2HH1      ARG  11  11.207   5.049  10.341
   93   HH21  ARG  11          1HH2      ARG  11  11.946   5.923   7.006
   94   HH22  ARG  11          2HH2      ARG  11  12.550   5.243   8.437
   95    H    GLY  12           HN       GLY  12   3.298   8.482   6.449
   96    HA2  GLY  12          2HA       GLY  12   3.783  10.276   5.027
   97    HA3  GLY  12          1HA       GLY  12   5.073   9.327   4.299
   98    HA   PRO  13           HA       PRO  13   1.470   9.020   1.496
   99    HB2  PRO  13          2HB       PRO  13   2.353  10.397  -0.584
  100    HB3  PRO  13          1HB       PRO  13   1.726  11.231   0.839
  101    HG2  PRO  13          2HG       PRO  13   4.565  10.820   0.001
  102    HG3  PRO  13          1HG       PRO  13   3.817  12.237   0.756
  103    HD2  PRO  13          2HD       PRO  13   5.272  10.252   2.089
  104    HD3  PRO  13          1HD       PRO  13   4.181  11.424   2.853
  105    H    CYS  14           HN       CYS  14   1.326   7.822  -0.466
  106    HA   CYS  14           HA       CYS  14   3.305   5.743  -0.694
  107    HB2  CYS  14          2HB       CYS  14   1.736   4.765  -2.336
  108    HB3  CYS  14          1HB       CYS  14   0.979   5.161  -0.795
  109    H    LEU  15           HN       LEU  15   3.586   8.653  -1.805
  110    HA   LEU  15           HA       LEU  15   3.872   8.532  -4.604
  111    HB2  LEU  15          2HB       LEU  15   5.302  10.315  -2.640
  112    HB3  LEU  15          1HB       LEU  15   5.173  10.589  -4.366
  113    HG   LEU  15           HG       LEU  15   2.862  10.567  -2.434
  114   HD11  LEU  15          1HD1      LEU  15   4.266  12.855  -3.781
  115   HD12  LEU  15          2HD1      LEU  15   4.277  12.478  -2.058
  116   HD13  LEU  15          3HD1      LEU  15   2.779  12.978  -2.844
  117   HD21  LEU  15          1HD2      LEU  15   2.177   9.860  -4.659
  118   HD22  LEU  15          2HD2      LEU  15   2.974  11.266  -5.364
  119   HD23  LEU  15          3HD2      LEU  15   1.574  11.482  -4.317
  120    H    ARG  16           HN       ARG  16   5.900   7.491  -2.045
  121    HA   ARG  16           HA       ARG  16   8.127   6.952  -3.861
  122    HB2  ARG  16          2HB       ARG  16   7.878   6.444  -0.876
  123    HB3  ARG  16          1HB       ARG  16   9.341   6.247  -1.824
  124    HG2  ARG  16          2HG       ARG  16   7.911   8.854  -1.317
  125    HG3  ARG  16          1HG       ARG  16   9.370   8.303  -0.499
  126    HD2  ARG  16          2HD       ARG  16   9.120   8.827  -3.466
  127    HD3  ARG  16          1HD       ARG  16   9.832   9.933  -2.299
  128    HE   ARG  16           HE       ARG  16  11.221   7.627  -1.956
  129   HH11  ARG  16          1HH1      ARG  16  10.557   9.633  -4.783
  130   HH12  ARG  16          2HH1      ARG  16  12.051   9.343  -5.544
  131   HH21  ARG  16          1HH2      ARG  16  13.259   7.204  -2.986
  132   HH22  ARG  16          2HH2      ARG  16  13.647   7.917  -4.480
  133    H    ARG  17           HN       ARG  17   7.577   5.284  -5.094
  134    HA   ARG  17           HA       ARG  17   5.690   3.327  -4.383
  135    HB2  ARG  17          2HB       ARG  17   7.639   3.369  -6.671
  136    HB3  ARG  17          1HB       ARG  17   6.369   2.170  -6.483
  137    HG2  ARG  17          2HG       ARG  17   4.704   3.971  -6.538
  138    HG3  ARG  17          1HG       ARG  17   5.996   5.138  -6.837
  139    HD2  ARG  17          2HD       ARG  17   6.579   3.950  -8.895
  140    HD3  ARG  17          1HD       ARG  17   5.303   2.776  -8.577
  141    HE   ARG  17           HE       ARG  17   4.308   5.432  -8.642
  142   HH11  ARG  17          1HH1      ARG  17   5.293   2.756 -10.737
  143   HH12  ARG  17          2HH1      ARG  17   4.350   3.246 -12.073
  144   HH21  ARG  17          1HH2      ARG  17   3.002   6.103 -10.472
  145   HH22  ARG  17          2HH2      ARG  17   3.007   5.187 -11.914
  146    H    SER  18           HN       SER  18   9.229   3.188  -4.405
  147    HA   SER  18           HA       SER  18   9.329   0.413  -3.949
  148    HB2  SER  18          2HB       SER  18  11.372   2.542  -3.278
  149    HB3  SER  18          1HB       SER  18  11.669   0.803  -3.354
  150    HG   SER  18           HG       SER  18  11.777   0.905  -5.424
  151    H    ASN  19           HN       ASN  19   9.130   3.193  -1.835
  152    HA   ASN  19           HA       ASN  19   9.517   1.850   0.633
  153    HB2  ASN  19          2HB       ASN  19   7.965   4.376  -0.004
  154    HB3  ASN  19          1HB       ASN  19   8.199   3.775   1.627
  155   HD21  ASN  19          1HD2      ASN  19   9.234   5.711   2.167
  156   HD22  ASN  19          2HD2      ASN  19  10.849   6.049   1.649
  157    H    CYS  20           HN       CYS  20   6.647   2.742  -1.185
  158    HA   CYS  20           HA       CYS  20   4.665   1.711   0.463
  159    HB2  CYS  20          2HB       CYS  20   4.320   3.216  -1.491
  160    HB3  CYS  20          1HB       CYS  20   4.738   1.900  -2.568
  161    H    ALA  21           HN       ALA  21   6.305   0.150  -2.297
  162    HA   ALA  21           HA       ALA  21   4.985  -2.320  -2.070
  163    HB1  ALA  21          1HB       ALA  21   7.665  -1.720  -3.304
  164    HB2  ALA  21          2HB       ALA  21   6.104  -1.578  -4.113
  165    HB3  ALA  21          3HB       ALA  21   6.687  -3.158  -3.585
  166    H    ASN  22           HN       ASN  22   8.158  -1.277  -0.820
  167    HA   ASN  22           HA       ASN  22   8.731  -3.872   0.177
  168    HB2  ASN  22          2HB       ASN  22  10.116  -1.236   0.673
  169    HB3  ASN  22          1HB       ASN  22  10.663  -2.750   1.389
  170   HD21  ASN  22          1HD2      ASN  22  12.002  -1.011  -0.558
  171   HD22  ASN  22          2HD2      ASN  22  12.320  -1.992  -1.941
  172    H    VAL  23           HN       VAL  23   7.291  -1.049   1.687
  173    HA   VAL  23           HA       VAL  23   7.331  -2.169   4.294
  174    HB   VAL  23           HB       VAL  23   5.515  -0.040   3.096
  175   HG11  VAL  23          1HG1      VAL  23   5.785  -0.894   5.983
  176   HG12  VAL  23          2HG1      VAL  23   4.364  -1.144   4.969
  177   HG13  VAL  23          3HG1      VAL  23   4.858   0.491   5.411
  178   HG21  VAL  23          1HG2      VAL  23   6.855   1.490   4.419
  179   HG22  VAL  23          2HG2      VAL  23   7.870   0.574   3.303
  180   HG23  VAL  23          3HG2      VAL  23   7.830   0.149   5.015
  181    H    CYS  24           HN       CYS  24   4.957  -2.203   1.677
  182    HA   CYS  24           HA       CYS  24   3.122  -3.812   3.012
  183    HB2  CYS  24          2HB       CYS  24   3.688  -3.320   0.123
  184    HB3  CYS  24          1HB       CYS  24   2.404  -4.418   0.611
  185    H    ARG  25           HN       ARG  25   5.986  -4.645   1.183
  186    HA   ARG  25           HA       ARG  25   5.671  -7.426   1.093
  187    HB2  ARG  25          2HB       ARG  25   7.467  -6.072  -0.044
  188    HB3  ARG  25          1HB       ARG  25   8.259  -5.922   1.515
  189    HG2  ARG  25          2HG       ARG  25   8.314  -8.453   1.568
  190    HG3  ARG  25          1HG       ARG  25   7.867  -8.394  -0.141
  191    HD2  ARG  25          2HD       ARG  25  10.252  -8.545  -0.001
  192    HD3  ARG  25          1HD       ARG  25   9.841  -6.905  -0.513
  193    HE   ARG  25           HE       ARG  25  10.202  -7.353   2.331
  194   HH11  ARG  25          1HH1      ARG  25  11.656  -6.094  -0.651
  195   HH12  ARG  25          2HH1      ARG  25  12.870  -5.240   0.183
  196   HH21  ARG  25          1HH2      ARG  25  11.892  -6.111   3.429
  197   HH22  ARG  25          2HH2      ARG  25  12.988  -5.241   2.471
  198    H    THR  26           HN       THR  26   7.062  -5.276   3.607
  199    HA   THR  26           HA       THR  26   7.867  -7.196   5.397
  200    HB   THR  26           HB       THR  26   6.936  -4.358   5.846
  201    HG1  THR  26          1HG       THR  26   8.624  -4.579   4.162
  202   HG21  THR  26          1HG2      THR  26   7.264  -5.691   7.813
  203   HG22  THR  26          2HG2      THR  26   8.499  -4.416   7.662
  204   HG23  THR  26          3HG2      THR  26   8.890  -6.109   7.248
  205    H    GLU  27           HN       GLU  27   4.770  -5.519   4.878
  206    HA   GLU  27           HA       GLU  27   3.607  -6.688   7.214
  207    HB2  GLU  27          2HB       GLU  27   2.387  -4.962   5.049
  208    HB3  GLU  27          1HB       GLU  27   1.468  -5.573   6.433
  209    HG2  GLU  27          2HG       GLU  27   3.176  -4.447   7.879
  210    HG3  GLU  27          1HG       GLU  27   3.792  -3.680   6.424
  211    H    GLY  28           HN       GLY  28   4.373  -8.107   4.434
  212    HA2  GLY  28          2HA       GLY  28   3.951 -10.436   4.176
  213    HA3  GLY  28          1HA       GLY  28   2.396 -10.212   4.952
  214    H    PHE  29           HN       PHE  29   3.148  -7.928   2.529
  215    HA   PHE  29           HA       PHE  29   1.311  -9.325   0.727
  216    HB2  PHE  29          2HB       PHE  29   1.770  -6.374   1.156
  217    HB3  PHE  29          1HB       PHE  29   0.682  -7.043  -0.058
  218    HD1  PHE  29          1HD       PHE  29  -1.170  -8.544   0.751
  219    HD2  PHE  29          2HD       PHE  29   1.014  -5.987   3.338
  220    HE1  PHE  29          1HE       PHE  29  -2.964  -8.688   2.368
  221    HE2  PHE  29          2HE       PHE  29  -0.789  -6.109   4.998
  222    HZ   PHE  29           HZ       PHE  29  -2.796  -7.462   4.532
  223    HA   PRO  30           HA       PRO  30   4.461  -9.329  -2.402
  224    HB2  PRO  30          2HB       PRO  30   3.015  -8.835  -4.674
  225    HB3  PRO  30          1HB       PRO  30   3.022 -10.394  -3.843
  226    HG2  PRO  30          2HG       PRO  30   1.014  -8.176  -3.690
  227    HG3  PRO  30          1HG       PRO  30   0.742  -9.923  -3.814
  228    HD2  PRO  30          2HD       PRO  30   0.519  -8.633  -1.461
  229    HD3  PRO  30          1HD       PRO  30   1.164 -10.274  -1.561
  230    H    GLY  31           HN       GLY  31   2.356  -6.520  -2.218
  231    HA2  GLY  31          2HA       GLY  31   4.451  -4.697  -2.455
  232    HA3  GLY  31          1HA       GLY  31   3.692  -4.881  -4.034
  233    H    GLY  32           HN       GLY  32   3.293  -2.542  -3.553
  234    HA2  GLY  32          2HA       GLY  32   0.646  -2.325  -2.386
  235    HA3  GLY  32          1HA       GLY  32   1.913  -1.251  -1.787
  236    H    ARG  33           HN       ARG  33  -0.398  -0.386  -2.970
  237    HA   ARG  33           HA       ARG  33   0.640   1.079  -5.269
  238    HB2  ARG  33          2HB       ARG  33  -0.592  -0.791  -6.266
  239    HB3  ARG  33          1HB       ARG  33  -1.953  -0.487  -5.189
  240    HG2  ARG  33          2HG       ARG  33  -2.246   1.712  -6.326
  241    HG3  ARG  33          1HG       ARG  33  -1.006   1.212  -7.473
  242    HD2  ARG  33          2HD       ARG  33  -2.358  -0.563  -8.288
  243    HD3  ARG  33          1HD       ARG  33  -3.517  -0.369  -6.968
  244    HE   ARG  33           HE       ARG  33  -3.308   2.042  -8.347
  245   HH11  ARG  33          1HH1      ARG  33  -4.595  -1.198  -8.928
  246   HH12  ARG  33          2HH1      ARG  33  -5.829  -0.673  -9.966
  247   HH21  ARG  33          1HH2      ARG  33  -5.017   2.776  -9.741
  248   HH22  ARG  33          2HH2      ARG  33  -6.088   1.653 -10.431
  249    H    CYS  34           HN       CYS  34  -0.682   3.020  -5.587
  250    HA   CYS  34           HA       CYS  34  -1.576   4.123  -3.099
  251    HB2  CYS  34          2HB       CYS  34  -1.516   5.265  -5.893
  252    HB3  CYS  34          1HB       CYS  34  -2.082   6.157  -4.488
  253    H    ARG  35           HN       ARG  35  -3.518   3.983  -2.324
  254    HA   ARG  35           HA       ARG  35  -5.769   3.924  -4.205
  255    HB2  ARG  35          2HB       ARG  35  -5.479   1.643  -3.339
  256    HB3  ARG  35          1HB       ARG  35  -5.560   2.245  -1.695
  257    HG2  ARG  35          2HG       ARG  35  -7.650   1.182  -2.321
  258    HG3  ARG  35          1HG       ARG  35  -7.895   2.905  -2.050
  259    HD2  ARG  35          2HD       ARG  35  -9.117   2.167  -4.019
  260    HD3  ARG  35          1HD       ARG  35  -7.838   3.286  -4.479
  261    HE   ARG  35           HE       ARG  35  -6.760   0.750  -4.714
  262   HH11  ARG  35          1HH1      ARG  35  -9.442   2.502  -6.232
  263   HH12  ARG  35          2HH1      ARG  35  -9.376   1.580  -7.658
  264   HH21  ARG  35          1HH2      ARG  35  -6.691  -0.452  -6.662
  265   HH22  ARG  35          2HH2      ARG  35  -7.803  -0.094  -7.923
  266    H    GLY  36           HN       GLY  36  -4.411   5.082  -1.245
  267    HA2  GLY  36          2HA       GLY  36  -6.797   6.286  -0.272
  268    HA3  GLY  36          1HA       GLY  36  -5.150   6.662   0.231
  269    H    PHE  37           HN       PHE  37  -7.497   8.360  -0.512
  270    HA   PHE  37           HA       PHE  37  -6.834   9.630  -2.973
  271    HB2  PHE  37          2HB       PHE  37  -9.143   9.623  -2.094
  272    HB3  PHE  37          1HB       PHE  37  -8.625  10.594  -0.722
  273    HD1  PHE  37          1HD       PHE  37  -8.878  12.888  -0.836
  274    HD2  PHE  37          2HD       PHE  37  -8.628  10.658  -4.452
  275    HE1  PHE  37          1HE       PHE  37  -9.297  14.937  -2.128
  276    HE2  PHE  37          2HE       PHE  37  -9.047  12.705  -5.746
  277    HZ   PHE  37           HZ       PHE  37  -9.380  14.846  -4.579
  278    H    ARG  38           HN       ARG  38  -5.885  10.020   0.323
  279    HA   ARG  38           HA       ARG  38  -4.536  12.545  -0.232
  280    HB2  ARG  38          2HB       ARG  38  -4.644  10.884   2.306
  281    HB3  ARG  38          1HB       ARG  38  -3.880  12.450   2.153
  282    HG2  ARG  38          2HG       ARG  38  -5.993  13.511   1.728
  283    HG3  ARG  38          1HG       ARG  38  -6.808  11.946   1.700
  284    HD2  ARG  38          2HD       ARG  38  -5.339  13.089   4.069
  285    HD3  ARG  38          1HD       ARG  38  -7.086  13.155   3.837
  286    HE   ARG  38           HE       ARG  38  -6.778  10.582   3.682
  287   HH11  ARG  38          1HH1      ARG  38  -4.978  12.696   5.897
  288   HH12  ARG  38          2HH1      ARG  38  -4.931  11.562   7.162
  289   HH21  ARG  38          1HH2      ARG  38  -6.708   9.035   5.399
  290   HH22  ARG  38          2HH2      ARG  38  -5.950   9.417   6.876
  291    H    ARG  39           HN       ARG  39  -4.043   9.703  -1.151
  292    HA   ARG  39           HA       ARG  39  -2.426   8.477  -1.977
  293    HB2  ARG  39          2HB       ARG  39  -0.540  10.738  -1.272
  294    HB3  ARG  39          1HB       ARG  39  -0.118   9.348  -2.264
  295    HG2  ARG  39          2HG       ARG  39  -2.193  11.439  -2.909
  296    HG3  ARG  39          1HG       ARG  39  -0.613  11.257  -3.674
  297    HD2  ARG  39          2HD       ARG  39  -1.251   9.114  -4.587
  298    HD3  ARG  39          1HD       ARG  39  -2.773   9.148  -3.707
  299    HE   ARG  39           HE       ARG  39  -2.162  11.168  -5.727
  300   HH11  ARG  39          1HH1      ARG  39  -4.299   8.618  -4.442
  301   HH12  ARG  39          2HH1      ARG  39  -5.454   8.765  -5.658
  302   HH21  ARG  39          1HH2      ARG  39  -3.831  11.444  -7.367
  303   HH22  ARG  39          2HH2      ARG  39  -5.211  10.454  -7.336
  304    H    ARG  40           HN       ARG  40  -3.198   7.307  -0.191
  305    HA   ARG  40           HA       ARG  40  -1.099   6.706   1.747
  306    HB2  ARG  40          2HB       ARG  40  -3.407   7.025   2.594
  307    HB3  ARG  40          1HB       ARG  40  -3.946   5.723   1.551
  308    HG2  ARG  40          2HG       ARG  40  -3.750   4.912   3.813
  309    HG3  ARG  40          1HG       ARG  40  -2.517   4.152   2.808
  310    HD2  ARG  40          2HD       ARG  40  -0.877   5.800   3.624
  311    HD3  ARG  40          1HD       ARG  40  -2.125   6.487   4.666
  312    HE   ARG  40           HE       ARG  40  -1.891   3.743   5.168
  313   HH11  ARG  40          1HH1      ARG  40  -0.180   6.792   5.697
  314   HH12  ARG  40          2HH1      ARG  40   0.668   6.261   7.071
  315   HH21  ARG  40          1HH2      ARG  40  -0.703   2.985   7.042
  316   HH22  ARG  40          2HH2      ARG  40   0.370   4.049   7.858
  317    H    CYS  41           HN       CYS  41  -0.056   4.779   1.685
  318    HA   CYS  41           HA       CYS  41  -0.164   3.231  -0.696
  319    HB2  CYS  41          2HB       CYS  41   1.950   3.594   0.561
  320    HB3  CYS  41          1HB       CYS  41   1.278   2.716   1.925
  321    H    PHE  42           HN       PHE  42  -1.372   1.535  -1.068
  322    HA   PHE  42           HA       PHE  42  -2.522   0.101   1.185
  323    HB2  PHE  42          2HB       PHE  42  -3.777   0.832  -1.457
  324    HB3  PHE  42          1HB       PHE  42  -4.214  -0.594  -0.522
  325    HD1  PHE  42          1HD       PHE  42  -6.248  -0.371   0.403
  326    HD2  PHE  42          2HD       PHE  42  -3.638   2.983   0.431
  327    HE1  PHE  42          1HE       PHE  42  -7.919   0.910   1.668
  328    HE2  PHE  42          2HE       PHE  42  -5.326   4.267   1.709
  329    HZ   PHE  42           HZ       PHE  42  -7.453   3.227   2.315
  330    H    CYS  43           HN       CYS  43  -1.850  -1.815   1.255
  331    HA   CYS  43           HA       CYS  43  -0.009  -2.880  -0.559
  332    HB2  CYS  43          2HB       CYS  43  -1.490  -4.133   1.731
  333    HB3  CYS  43          1HB       CYS  43  -0.044  -4.772   0.951
  334    H    THR  44           HN       THR  44  -0.360  -4.055  -2.255
  335    HA   THR  44           HA       THR  44  -2.914  -4.769  -3.195
  336    HB   THR  44           HB       THR  44  -0.169  -5.673  -4.092
  337    HG1  THR  44          1HG       THR  44  -0.006  -3.785  -5.158
  338   HG21  THR  44          1HG2      THR  44  -2.060  -6.864  -5.138
  339   HG22  THR  44          2HG2      THR  44  -1.240  -5.826  -6.306
  340   HG23  THR  44          3HG2      THR  44  -2.773  -5.320  -5.600
  341    H    THR  45           HN       THR  45  -3.956  -6.609  -2.720
  342    HA   THR  45           HA       THR  45  -2.471  -8.919  -1.835
  343    HB   THR  45           HB       THR  45  -3.086  -7.746   0.234
  344    HG1  THR  45          1HG       THR  45  -4.718  -9.429   0.991
  345   HG21  THR  45          1HG2      THR  45  -5.413  -7.356   0.872
  346   HG22  THR  45          2HG2      THR  45  -5.945  -7.962  -0.691
  347   HG23  THR  45          3HG2      THR  45  -5.013  -6.466  -0.600
  348    H    HIS  46           HN       HIS  46  -3.968 -10.793  -1.824
  349    HA   HIS  46           HA       HIS  46  -5.871 -10.505  -4.029
  350    HB2  HIS  46          2HB       HIS  46  -3.921 -11.946  -4.509
  351    HB3  HIS  46          1HB       HIS  46  -4.325 -12.944  -3.119
  352    HD1  HIS  46          1HD       HIS  46  -6.251 -14.618  -3.394
  353    HD2  HIS  46          2HD       HIS  46  -5.561 -12.259  -6.727
  354    HE1  HIS  46          1HE       HIS  46  -7.683 -15.569  -5.188
  355    H    CYS  47           HN       CYS  47  -7.934 -11.209  -3.757
  356    HA   CYS  47           HA       CYS  47  -8.650 -12.242  -1.126
  357    HB2  CYS  47          2HB       CYS  47 -10.349 -10.826  -3.184
  358    HB3  CYS  47          1HB       CYS  47 -10.976 -11.517  -1.692
  Start of MODEL    5
    1    H1   ARG   1          1HT       ARG   1  -9.691 -13.282  -6.871
    2    H2   ARG   1          2HT       ARG   1  -8.949 -12.847  -5.421
    3    H3   ARG   1          3HT       ARG   1  -8.053 -12.947  -6.820
    4    HA   ARG   1           HA       ARG   1  -9.211 -11.092  -7.843
    5    HB2  ARG   1          2HB       ARG   1 -10.495 -10.752  -5.122
    6    HB3  ARG   1          1HB       ARG   1 -10.715  -9.716  -6.515
    7    HG2  ARG   1          2HG       ARG   1 -11.838 -11.585  -7.679
    8    HG3  ARG   1          1HG       ARG   1 -11.631 -12.544  -6.208
    9    HD2  ARG   1          2HD       ARG   1 -13.848 -11.656  -6.191
   10    HD3  ARG   1          1HD       ARG   1 -12.895 -10.845  -4.960
   11    HE   ARG   1           HE       ARG   1 -12.790  -9.361  -7.334
   12   HH11  ARG   1          1HH1      ARG   1 -15.068 -10.175  -4.744
   13   HH12  ARG   1          2HH1      ARG   1 -16.009  -8.779  -4.907
   14   HH21  ARG   1          1HH2      ARG   1 -14.090  -7.434  -7.588
   15   HH22  ARG   1          2HH2      ARG   1 -15.446  -7.169  -6.592
   16    H    THR   2           HN       THR   2  -8.001  -9.126  -7.709
   17    HA   THR   2           HA       THR   2  -6.117  -8.980  -5.563
   18    HB   THR   2           HB       THR   2  -5.479  -6.810  -6.811
   19    HG1  THR   2          1HG       THR   2  -6.273  -6.579  -8.840
   20   HG21  THR   2          1HG2      THR   2  -5.269  -9.499  -8.173
   21   HG22  THR   2          2HG2      THR   2  -4.159  -8.847  -6.967
   22   HG23  THR   2          3HG2      THR   2  -4.274  -8.095  -8.557
   23    H    CYS   3           HN       CYS   3  -6.464  -7.969  -3.723
   24    HA   CYS   3           HA       CYS   3  -8.630  -6.010  -3.579
   25    HB2  CYS   3          2HB       CYS   3  -7.651  -7.993  -1.501
   26    HB3  CYS   3          1HB       CYS   3  -8.933  -6.797  -1.246
   27    H    GLN   4           HN       GLN   4  -8.165  -4.121  -2.610
   28    HA   GLN   4           HA       GLN   4  -5.370  -3.692  -1.829
   29    HB2  GLN   4          2HB       GLN   4  -7.435  -1.746  -2.855
   30    HB3  GLN   4          1HB       GLN   4  -5.925  -1.215  -2.164
   31    HG2  GLN   4          2HG       GLN   4  -5.605  -1.102  -4.473
   32    HG3  GLN   4          1HG       GLN   4  -4.802  -2.594  -4.004
   33   HE21  GLN   4          1HE2      GLN   4  -5.640  -4.529  -4.738
   34   HE22  GLN   4          2HE2      GLN   4  -6.883  -4.623  -5.936
   35    H    SER   5           HN       SER   5  -4.931  -3.515   0.168
   36    HA   SER   5           HA       SER   5  -6.953  -2.499   2.040
   37    HB2  SER   5          2HB       SER   5  -4.782  -4.554   2.557
   38    HB3  SER   5          1HB       SER   5  -6.080  -4.073   3.651
   39    HG   SER   5           HG       SER   5  -6.638  -5.994   2.655
   40    H    GLN   6           HN       GLN   6  -6.188  -0.716   3.191
   41    HA   GLN   6           HA       GLN   6  -3.759   0.464   2.413
   42    HB2  GLN   6          2HB       GLN   6  -4.121   2.186   4.072
   43    HB3  GLN   6          1HB       GLN   6  -5.623   1.830   3.246
   44    HG2  GLN   6          2HG       GLN   6  -6.405   0.572   5.172
   45    HG3  GLN   6          1HG       GLN   6  -4.864   0.842   5.988
   46   HE21  GLN   6          1HE2      GLN   6  -4.375   2.924   6.748
   47   HE22  GLN   6          2HE2      GLN   6  -5.608   4.115   6.942
   48    H    SER   7           HN       SER   7  -1.776   0.556   3.204
   49    HA   SER   7           HA       SER   7  -0.735  -1.492   4.758
   50    HB2  SER   7          2HB       SER   7   0.389   1.256   4.363
   51    HB3  SER   7          1HB       SER   7   1.291  -0.261   4.542
   52    HG   SER   7           HG       SER   7   0.659  -0.857   2.503
   53    H    HIS   8           HN       HIS   8   0.117  -1.396   6.945
   54    HA   HIS   8           HA       HIS   8  -1.493   0.397   8.603
   55    HB2  HIS   8          2HB       HIS   8  -0.064  -2.156   9.357
   56    HB3  HIS   8          1HB       HIS   8  -1.124  -1.216  10.399
   57    HD1  HIS   8          1HD       HIS   8  -1.136  -3.713   7.671
   58    HD2  HIS   8          2HD       HIS   8  -3.866  -1.446   9.807
   59    HE1  HIS   8          1HE       HIS   8  -3.418  -4.699   7.150
   60    H    ARG   9           HN       ARG   9   1.755  -0.914   8.217
   61    HA   ARG   9           HA       ARG   9   2.730   1.084  10.128
   62    HB2  ARG   9          2HB       ARG   9   4.844  -0.184  10.144
   63    HB3  ARG   9          1HB       ARG   9   3.476  -1.191  10.555
   64    HG2  ARG   9          2HG       ARG   9   3.499  -2.103   8.257
   65    HG3  ARG   9          1HG       ARG   9   4.914  -1.103   7.922
   66    HD2  ARG   9          2HD       ARG   9   4.766  -3.232  10.054
   67    HD3  ARG   9          1HD       ARG   9   5.496  -3.443   8.468
   68    HE   ARG   9           HE       ARG   9   6.606  -1.203   9.793
   69   HH11  ARG   9          1HH1      ARG   9   6.738  -4.753   9.876
   70   HH12  ARG   9          2HH1      ARG   9   8.335  -4.814  10.463
   71   HH21  ARG   9          1HH2      ARG   9   8.802  -1.311  10.629
   72   HH22  ARG   9          2HH2      ARG   9   9.535  -2.808  10.921
   73    H    PHE  10           HN       PHE  10   1.874   1.755   7.436
   74    HA   PHE  10           HA       PHE  10   4.237   2.385   5.940
   75    HB2  PHE  10          2HB       PHE  10   2.170   1.964   4.740
   76    HB3  PHE  10          1HB       PHE  10   1.371   3.312   5.545
   77    HD1  PHE  10          1HD       PHE  10   4.050   2.388   3.133
   78    HD2  PHE  10          2HD       PHE  10   1.609   5.509   4.714
   79    HE1  PHE  10          1HE       PHE  10   4.818   3.859   1.399
   80    HE2  PHE  10          2HE       PHE  10   2.394   6.989   2.951
   81    HZ   PHE  10           HZ       PHE  10   4.004   6.174   1.290
   82    H    ARG  11           HN       ARG  11   5.359   4.192   5.853
   83    HA   ARG  11           HA       ARG  11   4.538   6.429   7.522
   84    HB2  ARG  11          2HB       ARG  11   6.946   6.604   8.263
   85    HB3  ARG  11          1HB       ARG  11   6.023   5.273   8.944
   86    HG2  ARG  11          2HG       ARG  11   7.049   3.739   7.348
   87    HG3  ARG  11          1HG       ARG  11   7.968   5.076   6.655
   88    HD2  ARG  11          2HD       ARG  11   9.126   5.415   8.714
   89    HD3  ARG  11          1HD       ARG  11   8.113   4.218   9.524
   90    HE   ARG  11           HE       ARG  11   9.095   2.655   7.739
   91   HH11  ARG  11          1HH1      ARG  11  10.925   5.241   9.305
   92   HH12  ARG  11          2HH1      ARG  11  12.418   4.442   9.189
   93   HH21  ARG  11          1HH2      ARG  11  11.145   1.558   7.601
   94   HH22  ARG  11          2HH2      ARG  11  12.552   2.298   8.218
   95    H    GLY  12           HN       GLY  12   4.532   8.221   6.392
   96    HA2  GLY  12          2HA       GLY  12   5.830   9.881   5.265
   97    HA3  GLY  12          1HA       GLY  12   6.630   8.586   4.385
   98    HA   PRO  13           HA       PRO  13   3.274   9.900   1.621
   99    HB2  PRO  13          2HB       PRO  13   4.766  10.678  -0.463
  100    HB3  PRO  13          1HB       PRO  13   4.514  11.726   0.936
  101    HG2  PRO  13          2HG       PRO  13   6.934  10.227   0.124
  102    HG3  PRO  13          1HG       PRO  13   6.798  11.694   1.102
  103    HD2  PRO  13          2HD       PRO  13   7.137   8.995   2.026
  104    HD3  PRO  13          1HD       PRO  13   6.932  10.461   3.002
  105    H    CYS  14           HN       CYS  14   2.286   8.629   0.130
  106    HA   CYS  14           HA       CYS  14   3.395   6.068  -0.536
  107    HB2  CYS  14          2HB       CYS  14   0.974   6.414  -0.183
  108    HB3  CYS  14          1HB       CYS  14   0.917   7.445  -1.601
  109    H    LEU  15           HN       LEU  15   3.723   9.123  -1.821
  110    HA   LEU  15           HA       LEU  15   3.844   8.703  -4.598
  111    HB2  LEU  15          2HB       LEU  15   5.241  10.762  -2.900
  112    HB3  LEU  15          1HB       LEU  15   5.081  10.828  -4.643
  113    HG   LEU  15           HG       LEU  15   2.775  10.918  -2.691
  114   HD11  LEU  15          1HD1      LEU  15   4.145  12.925  -2.573
  115   HD12  LEU  15          2HD1      LEU  15   2.582  13.251  -3.316
  116   HD13  LEU  15          3HD1      LEU  15   4.024  13.118  -4.324
  117   HD21  LEU  15          1HD2      LEU  15   2.126   9.940  -4.829
  118   HD22  LEU  15          2HD2      LEU  15   2.861  11.293  -5.686
  119   HD23  LEU  15          3HD2      LEU  15   1.452  11.561  -4.664
  120    H    ARG  16           HN       ARG  16   5.873   7.581  -2.198
  121    HA   ARG  16           HA       ARG  16   7.957   7.047  -4.178
  122    HB2  ARG  16          2HB       ARG  16   8.153   6.799  -1.156
  123    HB3  ARG  16          1HB       ARG  16   9.462   6.584  -2.308
  124    HG2  ARG  16          2HG       ARG  16   8.043   9.153  -1.635
  125    HG3  ARG  16          1HG       ARG  16   9.705   8.714  -1.236
  126    HD2  ARG  16          2HD       ARG  16   8.594   9.105  -4.019
  127    HD3  ARG  16          1HD       ARG  16   9.602  10.250  -3.144
  128    HE   ARG  16           HE       ARG  16  11.087   8.017  -3.137
  129   HH11  ARG  16          1HH1      ARG  16   9.440   9.676  -5.824
  130   HH12  ARG  16          2HH1      ARG  16  10.705   9.382  -6.922
  131   HH21  ARG  16          1HH2      ARG  16  12.788   7.636  -4.677
  132   HH22  ARG  16          2HH2      ARG  16  12.614   8.218  -6.277
  133    H    ARG  17           HN       ARG  17   7.066   5.305  -5.137
  134    HA   ARG  17           HA       ARG  17   5.488   3.470  -3.692
  135    HB2  ARG  17          2HB       ARG  17   5.364   2.101  -5.711
  136    HB3  ARG  17          1HB       ARG  17   5.014   3.787  -6.031
  137    HG2  ARG  17          2HG       ARG  17   7.291   4.056  -6.920
  138    HG3  ARG  17          1HG       ARG  17   7.579   2.339  -6.639
  139    HD2  ARG  17          2HD       ARG  17   6.954   2.670  -8.946
  140    HD3  ARG  17          1HD       ARG  17   5.668   1.820  -8.099
  141    HE   ARG  17           HE       ARG  17   5.138   4.547  -7.980
  142   HH11  ARG  17          1HH1      ARG  17   5.195   1.941 -10.395
  143   HH12  ARG  17          2HH1      ARG  17   4.083   2.688 -11.437
  144   HH21  ARG  17          1HH2      ARG  17   3.562   5.552  -9.406
  145   HH22  ARG  17          2HH2      ARG  17   3.119   4.773 -10.855
  146    H    SER  18           HN       SER  18   8.851   3.643  -4.068
  147    HA   SER  18           HA       SER  18   9.541   0.960  -3.704
  148    HB2  SER  18          2HB       SER  18  11.638   2.100  -2.733
  149    HB3  SER  18          1HB       SER  18  11.209   2.508  -4.395
  150    HG   SER  18           HG       SER  18  11.557   4.178  -2.432
  151    H    ASN  19           HN       ASN  19   8.750   3.602  -1.563
  152    HA   ASN  19           HA       ASN  19   9.152   2.328   0.948
  153    HB2  ASN  19          2HB       ASN  19   9.100   4.801   0.623
  154    HB3  ASN  19          1HB       ASN  19   7.407   4.673   0.171
  155   HD21  ASN  19          1HD2      ASN  19   6.854   6.117   1.763
  156   HD22  ASN  19          2HD2      ASN  19   6.810   5.679   3.431
  157    H    CYS  20           HN       CYS  20   6.337   3.001  -1.060
  158    HA   CYS  20           HA       CYS  20   4.298   1.859   0.474
  159    HB2  CYS  20          2HB       CYS  20   3.901   3.273  -1.508
  160    HB3  CYS  20          1HB       CYS  20   4.607   2.040  -2.534
  161    H    ALA  21           HN       ALA  21   6.145   0.337  -2.195
  162    HA   ALA  21           HA       ALA  21   5.064  -2.226  -1.895
  163    HB1  ALA  21          1HB       ALA  21   6.904  -2.976  -3.292
  164    HB2  ALA  21          2HB       ALA  21   7.752  -1.454  -3.017
  165    HB3  ALA  21          3HB       ALA  21   6.234  -1.466  -3.913
  166    H    ASN  22           HN       ASN  22   7.874  -0.683  -0.413
  167    HA   ASN  22           HA       ASN  22   9.048  -2.954   0.763
  168    HB2  ASN  22          2HB       ASN  22  10.119  -0.696   0.666
  169    HB3  ASN  22          1HB       ASN  22   8.994  -0.164   1.904
  170   HD21  ASN  22          1HD2      ASN  22  10.482   0.228   3.464
  171   HD22  ASN  22          2HD2      ASN  22  11.399  -1.004   4.227
  172    H    VAL  23           HN       VAL  23   6.760  -0.597   2.100
  173    HA   VAL  23           HA       VAL  23   6.489  -1.772   4.608
  174    HB   VAL  23           HB       VAL  23   4.564  -0.004   3.072
  175   HG11  VAL  23          1HG1      VAL  23   4.529  -0.797   5.985
  176   HG12  VAL  23          2HG1      VAL  23   3.348  -1.288   4.775
  177   HG13  VAL  23          3HG1      VAL  23   3.477   0.408   5.246
  178   HG21  VAL  23          1HG2      VAL  23   5.458   1.757   4.523
  179   HG22  VAL  23          2HG2      VAL  23   6.747   0.980   3.609
  180   HG23  VAL  23          3HG2      VAL  23   6.507   0.578   5.306
  181    H    CYS  24           HN       CYS  24   4.518  -2.127   1.696
  182    HA   CYS  24           HA       CYS  24   2.761  -3.985   2.774
  183    HB2  CYS  24          2HB       CYS  24   3.642  -3.488  -0.057
  184    HB3  CYS  24          1HB       CYS  24   2.353  -4.616   0.347
  185    H    ARG  25           HN       ARG  25   5.847  -4.484   1.110
  186    HA   ARG  25           HA       ARG  25   5.813  -7.275   1.082
  187    HB2  ARG  25          2HB       ARG  25   7.411  -5.983  -0.222
  188    HB3  ARG  25          1HB       ARG  25   8.161  -5.385   1.246
  189    HG2  ARG  25          2HG       ARG  25   8.885  -7.659   1.803
  190    HG3  ARG  25          1HG       ARG  25   8.139  -8.253   0.317
  191    HD2  ARG  25          2HD       ARG  25  10.545  -7.924   0.037
  192    HD3  ARG  25          1HD       ARG  25   9.623  -6.840  -1.004
  193    HE   ARG  25           HE       ARG  25  10.273  -5.642   1.493
  194   HH11  ARG  25          1HH1      ARG  25  11.688  -6.442  -1.652
  195   HH12  ARG  25          2HH1      ARG  25  12.794  -5.149  -1.645
  196   HH21  ARG  25          1HH2      ARG  25  11.792  -3.847   1.499
  197   HH22  ARG  25          2HH2      ARG  25  12.874  -3.666   0.197
  198    H    THR  26           HN       THR  26   7.097  -5.038   3.566
  199    HA   THR  26           HA       THR  26   8.002  -7.182   5.181
  200    HB   THR  26           HB       THR  26   9.055  -4.927   5.355
  201    HG1  THR  26          1HG       THR  26   8.703  -6.543   7.301
  202   HG21  THR  26          1HG2      THR  26   7.061  -3.560   5.169
  203   HG22  THR  26          2HG2      THR  26   7.967  -3.139   6.629
  204   HG23  THR  26          3HG2      THR  26   6.504  -4.124   6.741
  205    H    GLU  27           HN       GLU  27   4.902  -5.590   4.898
  206    HA   GLU  27           HA       GLU  27   3.951  -6.949   7.242
  207    HB2  GLU  27          2HB       GLU  27   2.504  -5.320   5.157
  208    HB3  GLU  27          1HB       GLU  27   1.655  -6.174   6.443
  209    HG2  GLU  27          2HG       GLU  27   3.078  -4.865   8.064
  210    HG3  GLU  27          1HG       GLU  27   3.596  -3.898   6.685
  211    H    GLY  28           HN       GLY  28   4.703  -7.993   4.227
  212    HA2  GLY  28          2HA       GLY  28   4.648 -10.330   3.793
  213    HA3  GLY  28          1HA       GLY  28   3.176 -10.441   4.739
  214    H    PHE  29           HN       PHE  29   3.083  -7.826   2.626
  215    HA   PHE  29           HA       PHE  29   1.207  -9.275   0.948
  216    HB2  PHE  29          2HB       PHE  29   1.781  -6.338   1.267
  217    HB3  PHE  29          1HB       PHE  29   0.606  -6.985   0.123
  218    HD1  PHE  29          1HD       PHE  29  -1.260  -8.391   1.069
  219    HD2  PHE  29          2HD       PHE  29   1.179  -5.877   3.458
  220    HE1  PHE  29          1HE       PHE  29  -2.987  -8.382   2.792
  221    HE2  PHE  29          2HE       PHE  29  -0.540  -5.853   5.208
  222    HZ   PHE  29           HZ       PHE  29  -2.641  -7.106   4.883
  223    HA   PRO  30           HA       PRO  30   4.048  -9.582  -2.431
  224    HB2  PRO  30          2HB       PRO  30   2.260  -9.433  -4.531
  225    HB3  PRO  30          1HB       PRO  30   2.602 -10.895  -3.603
  226    HG2  PRO  30          2HG       PRO  30   0.325  -8.987  -3.374
  227    HG3  PRO  30          1HG       PRO  30   0.333 -10.749  -3.194
  228    HD2  PRO  30          2HD       PRO  30   0.232  -9.063  -1.078
  229    HD3  PRO  30          1HD       PRO  30   1.037 -10.640  -0.998
  230    H    GLY  31           HN       GLY  31   1.652  -6.946  -2.655
  231    HA2  GLY  31          2HA       GLY  31   3.757  -5.177  -3.552
  232    HA3  GLY  31          1HA       GLY  31   2.491  -5.481  -4.735
  233    H    GLY  32           HN       GLY  32   2.577  -2.975  -4.246
  234    HA2  GLY  32          2HA       GLY  32   0.239  -2.432  -2.680
  235    HA3  GLY  32          1HA       GLY  32   1.725  -1.678  -2.091
  236    H    ARG  33           HN       ARG  33  -0.507  -0.242  -3.058
  237    HA   ARG  33           HA       ARG  33   0.774   1.253  -5.190
  238    HB2  ARG  33          2HB       ARG  33  -0.654  -0.540  -6.248
  239    HB3  ARG  33          1HB       ARG  33  -2.051   0.235  -5.507
  240    HG2  ARG  33          2HG       ARG  33  -1.901   0.908  -7.803
  241    HG3  ARG  33          1HG       ARG  33  -1.485   2.289  -6.780
  242    HD2  ARG  33          2HD       ARG  33   0.886   1.860  -7.130
  243    HD3  ARG  33          1HD       ARG  33   0.480   0.438  -8.094
  244    HE   ARG  33           HE       ARG  33  -0.597   2.947  -9.001
  245   HH11  ARG  33          1HH1      ARG  33   1.995   0.548  -9.277
  246   HH12  ARG  33          2HH1      ARG  33   2.521   1.073 -10.805
  247   HH21  ARG  33          1HH2      ARG  33   0.145   3.698 -11.109
  248   HH22  ARG  33          2HH2      ARG  33   1.447   2.939 -11.869
  249    H    CYS  34           HN       CYS  34  -0.258   3.340  -5.397
  250    HA   CYS  34           HA       CYS  34  -1.375   4.299  -2.930
  251    HB2  CYS  34          2HB       CYS  34  -0.956   5.723  -5.566
  252    HB3  CYS  34          1HB       CYS  34  -1.419   6.488  -4.049
  253    H    ARG  35           HN       ARG  35  -3.425   4.380  -2.472
  254    HA   ARG  35           HA       ARG  35  -5.362   4.265  -4.703
  255    HB2  ARG  35          2HB       ARG  35  -5.093   2.041  -3.585
  256    HB3  ARG  35          1HB       ARG  35  -5.650   2.773  -2.093
  257    HG2  ARG  35          2HG       ARG  35  -7.528   1.675  -2.947
  258    HG3  ARG  35          1HG       ARG  35  -7.780   3.365  -3.378
  259    HD2  ARG  35          2HD       ARG  35  -6.672   1.232  -5.199
  260    HD3  ARG  35          1HD       ARG  35  -8.331   1.815  -5.212
  261    HE   ARG  35           HE       ARG  35  -7.124   4.078  -5.683
  262   HH11  ARG  35          1HH1      ARG  35  -6.349   0.904  -7.109
  263   HH12  ARG  35          2HH1      ARG  35  -5.613   1.571  -8.484
  264   HH21  ARG  35          1HH2      ARG  35  -6.116   4.958  -7.651
  265   HH22  ARG  35          2HH2      ARG  35  -5.489   3.860  -8.797
  266    H    GLY  36           HN       GLY  36  -4.831   4.946  -1.296
  267    HA2  GLY  36          2HA       GLY  36  -7.205   6.412  -0.896
  268    HA3  GLY  36          1HA       GLY  36  -5.762   6.461   0.116
  269    H    PHE  37           HN       PHE  37  -7.662   8.500  -1.151
  270    HA   PHE  37           HA       PHE  37  -6.359  10.057  -3.109
  271    HB2  PHE  37          2HB       PHE  37  -8.164  11.212  -1.004
  272    HB3  PHE  37          1HB       PHE  37  -7.985  11.689  -2.688
  273    HD1  PHE  37          1HD       PHE  37  -8.790  10.031  -4.467
  274    HD2  PHE  37          2HD       PHE  37  -9.795   9.773  -0.354
  275    HE1  PHE  37          1HE       PHE  37 -10.717   8.603  -5.030
  276    HE2  PHE  37          2HE       PHE  37 -11.678   8.376  -0.867
  277    HZ   PHE  37           HZ       PHE  37 -12.179   7.761  -3.232
  278    H    ARG  38           HN       ARG  38  -6.041   9.816   0.271
  279    HA   ARG  38           HA       ARG  38  -4.620  12.291   0.704
  280    HB2  ARG  38          2HB       ARG  38  -4.976   9.882   2.500
  281    HB3  ARG  38          1HB       ARG  38  -4.467  11.488   2.998
  282    HG2  ARG  38          2HG       ARG  38  -6.652  12.399   2.461
  283    HG3  ARG  38          1HG       ARG  38  -7.177  10.852   1.807
  284    HD2  ARG  38          2HD       ARG  38  -8.054  11.167   4.042
  285    HD3  ARG  38          1HD       ARG  38  -6.911   9.827   4.011
  286    HE   ARG  38           HE       ARG  38  -6.058  12.486   4.869
  287   HH11  ARG  38          1HH1      ARG  38  -6.525   9.064   5.644
  288   HH12  ARG  38          2HH1      ARG  38  -5.873   9.156   7.211
  289   HH21  ARG  38          1HH2      ARG  38  -5.173  12.647   7.023
  290   HH22  ARG  38          2HH2      ARG  38  -5.063  11.267   8.011
  291    H    ARG  39           HN       ARG  39  -3.734   9.990  -1.100
  292    HA   ARG  39           HA       ARG  39  -1.911   8.951  -1.854
  293    HB2  ARG  39          2HB       ARG  39  -0.326  10.887  -0.136
  294    HB3  ARG  39          1HB       ARG  39   0.291   9.955  -1.490
  295    HG2  ARG  39          2HG       ARG  39  -1.711  12.199  -1.603
  296    HG3  ARG  39          1HG       ARG  39  -0.042  12.237  -2.169
  297    HD2  ARG  39          2HD       ARG  39  -0.579  10.536  -3.854
  298    HD3  ARG  39          1HD       ARG  39  -2.240  10.490  -3.258
  299    HE   ARG  39           HE       ARG  39  -1.290  13.071  -4.084
  300   HH11  ARG  39          1HH1      ARG  39  -3.059  10.160  -5.033
  301   HH12  ARG  39          2HH1      ARG  39  -3.859  10.895  -6.341
  302   HH21  ARG  39          1HH2      ARG  39  -2.369  14.061  -5.895
  303   HH22  ARG  39          2HH2      ARG  39  -3.450  13.158  -6.849
  304    H    ARG  40           HN       ARG  40  -2.984   7.400  -0.443
  305    HA   ARG  40           HA       ARG  40  -0.986   6.451   1.444
  306    HB2  ARG  40          2HB       ARG  40  -3.979   6.243   1.703
  307    HB3  ARG  40          1HB       ARG  40  -2.876   5.277   2.673
  308    HG2  ARG  40          2HG       ARG  40  -3.012   8.292   2.616
  309    HG3  ARG  40          1HG       ARG  40  -3.610   7.246   3.909
  310    HD2  ARG  40          2HD       ARG  40  -1.364   6.474   4.383
  311    HD3  ARG  40          1HD       ARG  40  -0.711   7.349   3.014
  312    HE   ARG  40           HE       ARG  40  -1.792   8.560   5.436
  313   HH11  ARG  40          1HH1      ARG  40   0.176   8.827   2.487
  314   HH12  ARG  40          2HH1      ARG  40   1.129  10.106   3.082
  315   HH21  ARG  40          1HH2      ARG  40  -0.473  10.379   6.202
  316   HH22  ARG  40          2HH2      ARG  40   0.724  11.016   5.186
  317    H    CYS  41           HN       CYS  41  -0.372   4.490   1.531
  318    HA   CYS  41           HA       CYS  41  -0.470   3.104  -0.960
  319    HB2  CYS  41          2HB       CYS  41   1.650   3.413   0.222
  320    HB3  CYS  41          1HB       CYS  41   1.010   2.577   1.627
  321    H    PHE  42           HN       PHE  42  -1.652   1.446  -1.374
  322    HA   PHE  42           HA       PHE  42  -2.898  -0.022   0.807
  323    HB2  PHE  42          2HB       PHE  42  -3.984   0.662  -1.921
  324    HB3  PHE  42          1HB       PHE  42  -4.573  -0.683  -0.957
  325    HD1  PHE  42          1HD       PHE  42  -6.715  -0.166  -0.304
  326    HD2  PHE  42          2HD       PHE  42  -3.706   2.820   0.048
  327    HE1  PHE  42          1HE       PHE  42  -8.317   1.304   0.812
  328    HE2  PHE  42          2HE       PHE  42  -5.313   4.300   1.179
  329    HZ   PHE  42           HZ       PHE  42  -7.614   3.549   1.565
  330    H    CYS  43           HN       CYS  43  -2.138  -1.839   1.014
  331    HA   CYS  43           HA       CYS  43  -0.342  -3.048  -0.772
  332    HB2  CYS  43          2HB       CYS  43  -1.742  -4.083   1.683
  333    HB3  CYS  43          1HB       CYS  43  -0.399  -4.880   0.865
  334    H    THR  44           HN       THR  44  -0.722  -4.444  -2.280
  335    HA   THR  44           HA       THR  44  -3.469  -5.090  -2.900
  336    HB   THR  44           HB       THR  44  -0.953  -5.594  -4.505
  337    HG1  THR  44          1HG       THR  44  -2.057  -3.312  -3.776
  338   HG21  THR  44          1HG2      THR  44  -2.972  -6.856  -5.216
  339   HG22  THR  44          2HG2      THR  44  -2.526  -5.631  -6.404
  340   HG23  THR  44          3HG2      THR  44  -3.873  -5.343  -5.304
  341    H    THR  45           HN       THR  45  -4.156  -6.838  -1.943
  342    HA   THR  45           HA       THR  45  -2.335  -9.089  -1.606
  343    HB   THR  45           HB       THR  45  -3.220  -8.175   0.520
  344    HG1  THR  45          1HG       THR  45  -4.408 -10.254   1.120
  345   HG21  THR  45          1HG2      THR  45  -5.372  -7.291  -0.274
  346   HG22  THR  45          2HG2      THR  45  -5.603  -8.385   1.091
  347   HG23  THR  45          3HG2      THR  45  -5.943  -8.938  -0.548
  348    H    HIS  46           HN       HIS  46  -3.402 -11.172  -1.833
  349    HA   HIS  46           HA       HIS  46  -5.271 -11.083  -4.082
  350    HB2  HIS  46          2HB       HIS  46  -3.505 -13.356  -3.145
  351    HB3  HIS  46          1HB       HIS  46  -4.580 -13.402  -4.535
  352    HD1  HIS  46          1HD       HIS  46  -1.163 -13.114  -3.846
  353    HD2  HIS  46          2HD       HIS  46  -3.759 -11.080  -6.369
  354    HE1  HIS  46          1HE       HIS  46   0.287 -12.082  -5.652
  355    H    CYS  47           HN       CYS  47  -7.277 -11.329  -3.507
  356    HA   CYS  47           HA       CYS  47  -7.978 -12.679  -1.103
  357    HB2  CYS  47          2HB       CYS  47  -9.625 -11.349  -3.244
  358    HB3  CYS  47          1HB       CYS  47 -10.348 -12.193  -1.881
  Start of MODEL    6
    1    H1   ARG   1          1HT       ARG   1 -11.671  -9.763  -5.698
    2    H2   ARG   1          2HT       ARG   1 -12.403 -10.383  -7.055
    3    H3   ARG   1          3HT       ARG   1 -11.540  -8.933  -7.146
    4    HA   ARG   1           HA       ARG   1 -10.434 -11.601  -6.498
    5    HB2  ARG   1          2HB       ARG   1 -10.110  -9.917  -9.006
    6    HB3  ARG   1          1HB       ARG   1  -9.211 -11.385  -8.661
    7    HG2  ARG   1          2HG       ARG   1 -11.212 -12.699  -8.704
    8    HG3  ARG   1          1HG       ARG   1 -12.210 -11.262  -8.874
    9    HD2  ARG   1          2HD       ARG   1 -11.953 -12.422 -10.991
   10    HD3  ARG   1          1HD       ARG   1 -11.202 -10.828 -11.052
   11    HE   ARG   1           HE       ARG   1  -9.202 -12.539 -10.339
   12   HH11  ARG   1          1HH1      ARG   1 -11.468 -12.464 -13.082
   13   HH12  ARG   1          2HH1      ARG   1 -10.300 -12.990 -14.202
   14   HH21  ARG   1          1HH2      ARG   1  -7.658 -13.282 -11.881
   15   HH22  ARG   1          2HH2      ARG   1  -8.114 -13.474 -13.519
   16    H    THR   2           HN       THR   2  -9.298  -8.345  -7.597
   17    HA   THR   2           HA       THR   2  -6.981  -8.680  -5.906
   18    HB   THR   2           HB       THR   2  -6.401  -6.379  -6.848
   19    HG1  THR   2          1HG       THR   2  -8.712  -6.012  -7.423
   20   HG21  THR   2          1HG2      THR   2  -6.895  -8.601  -8.831
   21   HG22  THR   2          2HG2      THR   2  -5.472  -8.439  -7.802
   22   HG23  THR   2          3HG2      THR   2  -5.789  -7.249  -9.066
   23    H    CYS   3           HN       CYS   3  -6.659  -7.531  -4.016
   24    HA   CYS   3           HA       CYS   3  -8.882  -5.846  -3.160
   25    HB2  CYS   3          2HB       CYS   3  -7.464  -7.966  -1.522
   26    HB3  CYS   3          1HB       CYS   3  -8.761  -6.911  -0.963
   27    H    GLN   4           HN       GLN   4  -8.241  -4.126  -1.858
   28    HA   GLN   4           HA       GLN   4  -5.329  -3.716  -1.709
   29    HB2  GLN   4          2HB       GLN   4  -7.504  -1.618  -1.817
   30    HB3  GLN   4          1HB       GLN   4  -5.776  -1.325  -1.809
   31    HG2  GLN   4          2HG       GLN   4  -7.315  -2.699  -3.990
   32    HG3  GLN   4          1HG       GLN   4  -6.758  -1.033  -4.019
   33   HE21  GLN   4          1HE2      GLN   4  -4.120  -1.685  -2.830
   34   HE22  GLN   4          2HE2      GLN   4  -3.269  -2.503  -4.085
   35    H    SER   5           HN       SER   5  -4.551  -3.823   0.188
   36    HA   SER   5           HA       SER   5  -6.268  -3.171   2.474
   37    HB2  SER   5          2HB       SER   5  -3.828  -4.956   2.339
   38    HB3  SER   5          1HB       SER   5  -4.868  -4.677   3.740
   39    HG   SER   5           HG       SER   5  -5.753  -6.435   2.961
   40    H    GLN   6           HN       GLN   6  -5.645  -1.376   3.567
   41    HA   GLN   6           HA       GLN   6  -3.510   0.122   2.523
   42    HB2  GLN   6          2HB       GLN   6  -3.972   1.787   4.321
   43    HB3  GLN   6          1HB       GLN   6  -5.346   1.375   3.317
   44    HG2  GLN   6          2HG       GLN   6  -6.195  -0.068   5.104
   45    HG3  GLN   6          1HG       GLN   6  -4.813   0.384   6.110
   46   HE21  GLN   6          1HE2      GLN   6  -6.139   1.297   7.672
   47   HE22  GLN   6          2HE2      GLN   6  -6.954   2.798   7.416
   48    H    SER   7           HN       SER   7  -1.486   0.353   2.975
   49    HA   SER   7           HA       SER   7  -0.095  -1.379   4.645
   50    HB2  SER   7          2HB       SER   7   0.815   1.329   3.684
   51    HB3  SER   7          1HB       SER   7   1.768  -0.152   3.848
   52    HG   SER   7           HG       SER   7   0.862  -0.958   2.030
   53    H    HIS   8           HN       HIS   8   0.019  -1.219   6.889
   54    HA   HIS   8           HA       HIS   8  -1.079   1.238   8.001
   55    HB2  HIS   8          2HB       HIS   8  -2.027  -1.018   8.657
   56    HB3  HIS   8          1HB       HIS   8  -0.513  -1.321   9.507
   57    HD1  HIS   8          1HD       HIS   8  -0.477  -0.539  11.927
   58    HD2  HIS   8          2HD       HIS   8  -3.394   1.347   9.648
   59    HE1  HIS   8          1HE       HIS   8  -1.755   0.911  13.527
   60    H    ARG   9           HN       ARG   9   1.793  -0.609   7.790
   61    HA   ARG   9           HA       ARG   9   3.133   0.954   9.842
   62    HB2  ARG   9          2HB       ARG   9   4.108  -1.213   8.006
   63    HB3  ARG   9          1HB       ARG   9   5.118  -0.410   9.201
   64    HG2  ARG   9          2HG       ARG   9   3.626  -1.205  10.941
   65    HG3  ARG   9          1HG       ARG   9   2.680  -2.096   9.733
   66    HD2  ARG   9          2HD       ARG   9   4.321  -3.544  10.840
   67    HD3  ARG   9          1HD       ARG   9   4.670  -3.350   9.119
   68    HE   ARG   9           HE       ARG   9   6.024  -1.658  11.099
   69   HH11  ARG   9          1HH1      ARG   9   6.254  -4.178   8.645
   70   HH12  ARG   9          2HH1      ARG   9   7.917  -3.968   8.375
   71   HH21  ARG   9          1HH2      ARG   9   8.282  -1.372  10.761
   72   HH22  ARG   9          2HH2      ARG   9   9.130  -2.336   9.640
   73    H    PHE  10           HN       PHE  10   2.166   1.888   7.065
   74    HA   PHE  10           HA       PHE  10   4.648   2.745   5.833
   75    HB2  PHE  10          2HB       PHE  10   2.760   1.856   4.484
   76    HB3  PHE  10          1HB       PHE  10   1.792   3.236   4.984
   77    HD1  PHE  10          1HD       PHE  10   2.100   5.369   3.976
   78    HD2  PHE  10          2HD       PHE  10   4.689   2.148   3.018
   79    HE1  PHE  10          1HE       PHE  10   2.987   6.649   2.092
   80    HE2  PHE  10          2HE       PHE  10   5.578   3.418   1.142
   81    HZ   PHE  10           HZ       PHE  10   4.733   5.679   0.665
   82    H    ARG  11           HN       ARG  11   5.251   4.825   5.571
   83    HA   ARG  11           HA       ARG  11   3.710   6.944   6.788
   84    HB2  ARG  11          2HB       ARG  11   5.731   7.861   7.881
   85    HB3  ARG  11          1HB       ARG  11   5.259   6.312   8.556
   86    HG2  ARG  11          2HG       ARG  11   6.993   5.215   7.258
   87    HG3  ARG  11          1HG       ARG  11   7.469   6.763   6.567
   88    HD2  ARG  11          2HD       ARG  11   8.019   7.590   8.747
   89    HD3  ARG  11          1HD       ARG  11   7.482   6.078   9.487
   90    HE   ARG  11           HE       ARG  11   9.413   5.461   7.577
   91   HH11  ARG  11          1HH1      ARG  11   9.281   7.192  10.647
   92   HH12  ARG  11          2HH1      ARG  11  10.874   6.815  11.097
   93   HH21  ARG  11          1HH2      ARG  11  11.596   4.981   8.153
   94   HH22  ARG  11          2HH2      ARG  11  12.242   5.541   9.634
   95    H    GLY  12           HN       GLY  12   3.912   8.828   5.653
   96    HA2  GLY  12          2HA       GLY  12   5.090  10.305   4.179
   97    HA3  GLY  12          1HA       GLY  12   5.927   8.908   3.516
   98    HA   PRO  13           HA       PRO  13   2.308   9.678   0.762
   99    HB2  PRO  13          2HB       PRO  13   3.577  10.465  -1.459
  100    HB3  PRO  13          1HB       PRO  13   3.236  11.602  -0.147
  101    HG2  PRO  13          2HG       PRO  13   5.796  10.294  -0.909
  102    HG3  PRO  13          1HG       PRO  13   5.512  11.899  -0.221
  103    HD2  PRO  13          2HD       PRO  13   6.330   9.607   1.196
  104    HD3  PRO  13          1HD       PRO  13   5.719  11.116   1.900
  105    H    CYS  14           HN       CYS  14   1.563   8.272  -0.873
  106    HA   CYS  14           HA       CYS  14   2.797   5.723  -1.032
  107    HB2  CYS  14          2HB       CYS  14   0.929   5.234  -2.584
  108    HB3  CYS  14          1HB       CYS  14   0.408   5.960  -1.064
  109    H    LEU  15           HN       LEU  15   3.489   8.511  -2.661
  110    HA   LEU  15           HA       LEU  15   4.083   7.594  -5.276
  111    HB2  LEU  15          2HB       LEU  15   5.104   9.959  -3.690
  112    HB3  LEU  15          1HB       LEU  15   5.609   9.647  -5.330
  113    HG   LEU  15           HG       LEU  15   3.244   9.956  -6.082
  114   HD11  LEU  15          1HD1      LEU  15   1.608  10.978  -4.623
  115   HD12  LEU  15          2HD1      LEU  15   2.723  10.892  -3.268
  116   HD13  LEU  15          3HD1      LEU  15   2.089   9.405  -3.981
  117   HD21  LEU  15          1HD2      LEU  15   4.843  11.784  -6.187
  118   HD22  LEU  15          2HD2      LEU  15   4.419  12.260  -4.543
  119   HD23  LEU  15          3HD2      LEU  15   3.223  12.378  -5.831
  120    H    ARG  16           HN       ARG  16   5.535   7.174  -2.266
  121    HA   ARG  16           HA       ARG  16   8.175   6.568  -3.245
  122    HB2  ARG  16          2HB       ARG  16   6.881   6.267  -0.532
  123    HB3  ARG  16          1HB       ARG  16   8.570   5.923  -0.879
  124    HG2  ARG  16          2HG       ARG  16   7.298   8.616  -1.276
  125    HG3  ARG  16          1HG       ARG  16   8.138   8.128   0.196
  126    HD2  ARG  16          2HD       ARG  16   9.371   8.151  -2.561
  127    HD3  ARG  16          1HD       ARG  16   9.559   9.434  -1.371
  128    HE   ARG  16           HE       ARG  16  10.302   6.804  -0.441
  129   HH11  ARG  16          1HH1      ARG  16  11.428   9.736  -2.023
  130   HH12  ARG  16          2HH1      ARG  16  13.055   9.557  -1.539
  131   HH21  ARG  16          1HH2      ARG  16  12.531   6.507   0.174
  132   HH22  ARG  16          2HH2      ARG  16  13.691   7.680  -0.259
  133    H    ARG  17           HN       ARG  17   7.905   4.907  -4.625
  134    HA   ARG  17           HA       ARG  17   6.216   2.666  -4.262
  135    HB2  ARG  17          2HB       ARG  17   8.656   2.877  -6.032
  136    HB3  ARG  17          1HB       ARG  17   7.369   1.692  -6.176
  137    HG2  ARG  17          2HG       ARG  17   5.789   3.550  -6.639
  138    HG3  ARG  17          1HG       ARG  17   7.159   4.657  -6.627
  139    HD2  ARG  17          2HD       ARG  17   6.768   2.320  -8.491
  140    HD3  ARG  17          1HD       ARG  17   6.564   4.018  -8.898
  141    HE   ARG  17           HE       ARG  17   9.172   3.633  -7.932
  142   HH11  ARG  17          1HH1      ARG  17   7.185   2.830 -10.743
  143   HH12  ARG  17          2HH1      ARG  17   8.514   2.720 -11.816
  144   HH21  ARG  17          1HH2      ARG  17  11.009   3.427  -9.429
  145   HH22  ARG  17          2HH2      ARG  17  10.683   3.061 -11.056
  146    H    SER  18           HN       SER  18   9.685   3.159  -3.782
  147    HA   SER  18           HA       SER  18  10.386   0.570  -3.047
  148    HB2  SER  18          2HB       SER  18  11.581   3.169  -2.067
  149    HB3  SER  18          1HB       SER  18  12.390   1.601  -2.167
  150    HG   SER  18           HG       SER  18  12.128   1.654  -4.380
  151    H    ASN  19           HN       ASN  19   9.143   3.266  -1.174
  152    HA   ASN  19           HA       ASN  19   9.372   2.057   1.385
  153    HB2  ASN  19          2HB       ASN  19   7.723   4.364   0.360
  154    HB3  ASN  19          1HB       ASN  19   7.697   3.857   2.038
  155   HD21  ASN  19          1HD2      ASN  19   9.355   4.453   3.351
  156   HD22  ASN  19          2HD2      ASN  19  10.685   5.424   2.848
  157    H    CYS  20           HN       CYS  20   6.683   2.478  -0.895
  158    HA   CYS  20           HA       CYS  20   4.716   1.154   0.535
  159    HB2  CYS  20          2HB       CYS  20   5.155   1.600  -2.389
  160    HB3  CYS  20          1HB       CYS  20   3.845   0.561  -1.855
  161    H    ALA  21           HN       ALA  21   6.945  -0.199  -1.869
  162    HA   ALA  21           HA       ALA  21   5.973  -2.807  -1.640
  163    HB1  ALA  21          1HB       ALA  21   8.710  -1.886  -2.497
  164    HB2  ALA  21          2HB       ALA  21   7.304  -2.057  -3.548
  165    HB3  ALA  21          3HB       ALA  21   8.021  -3.481  -2.793
  166    H    ASN  22           HN       ASN  22   8.662  -1.151   0.005
  167    HA   ASN  22           HA       ASN  22   9.601  -3.377   1.426
  168    HB2  ASN  22          2HB       ASN  22  10.956  -1.361   1.328
  169    HB3  ASN  22          1HB       ASN  22   9.721  -0.442   2.179
  170   HD21  ASN  22          1HD2      ASN  22   9.683  -0.480   4.381
  171   HD22  ASN  22          2HD2      ASN  22  10.769  -1.381   5.364
  172    H    VAL  23           HN       VAL  23   7.237  -0.931   2.453
  173    HA   VAL  23           HA       VAL  23   6.742  -2.123   4.948
  174    HB   VAL  23           HB       VAL  23   5.056  -0.222   3.292
  175   HG11  VAL  23          1HG1      VAL  23   4.565  -1.222   6.097
  176   HG12  VAL  23          2HG1      VAL  23   3.532  -1.524   4.701
  177   HG13  VAL  23          3HG1      VAL  23   3.699   0.113   5.342
  178   HG21  VAL  23          1HG2      VAL  23   6.608   0.145   5.842
  179   HG22  VAL  23          2HG2      VAL  23   5.755   1.399   4.935
  180   HG23  VAL  23          3HG2      VAL  23   7.165   0.604   4.233
  181    H    CYS  24           HN       CYS  24   4.952  -2.370   1.892
  182    HA   CYS  24           HA       CYS  24   3.027  -4.117   2.871
  183    HB2  CYS  24          2HB       CYS  24   4.074  -3.621   0.108
  184    HB3  CYS  24          1HB       CYS  24   2.742  -4.725   0.387
  185    H    ARG  25           HN       ARG  25   6.184  -4.805   1.439
  186    HA   ARG  25           HA       ARG  25   5.755  -7.589   1.330
  187    HB2  ARG  25          2HB       ARG  25   7.364  -6.294  -0.048
  188    HB3  ARG  25          1HB       ARG  25   8.354  -6.085   1.379
  189    HG2  ARG  25          2HG       ARG  25   8.966  -8.339   1.418
  190    HG3  ARG  25          1HG       ARG  25   7.641  -8.802   0.335
  191    HD2  ARG  25          2HD       ARG  25   9.991  -7.062  -0.388
  192    HD3  ARG  25          1HD       ARG  25   9.740  -8.739  -0.901
  193    HE   ARG  25           HE       ARG  25   7.515  -7.701  -1.774
  194   HH11  ARG  25          1HH1      ARG  25  10.782  -6.440  -2.194
  195   HH12  ARG  25          2HH1      ARG  25  10.402  -5.458  -3.520
  196   HH21  ARG  25          1HH2      ARG  25   6.952  -6.326  -3.513
  197   HH22  ARG  25          2HH2      ARG  25   8.140  -5.384  -4.309
  198    H    THR  26           HN       THR  26   7.100  -5.440   3.780
  199    HA   THR  26           HA       THR  26   7.862  -7.664   5.390
  200    HB   THR  26           HB       THR  26   8.223  -5.931   7.209
  201    HG1  THR  26          1HG       THR  26   7.848  -4.029   5.147
  202   HG21  THR  26          1HG2      THR  26  10.049  -6.637   5.730
  203   HG22  THR  26          2HG2      THR  26  10.177  -4.918   6.133
  204   HG23  THR  26          3HG2      THR  26   9.557  -5.406   4.560
  205    H    GLU  27           HN       GLU  27   4.939  -5.891   4.905
  206    HA   GLU  27           HA       GLU  27   3.776  -6.974   7.299
  207    HB2  GLU  27          2HB       GLU  27   2.500  -5.354   5.081
  208    HB3  GLU  27          1HB       GLU  27   1.612  -5.970   6.465
  209    HG2  GLU  27          2HG       GLU  27   3.528  -4.636   7.766
  210    HG3  GLU  27          1HG       GLU  27   3.519  -3.715   6.265
  211    H    GLY  28           HN       GLY  28   4.429  -8.246   4.320
  212    HA2  GLY  28          2HA       GLY  28   4.060 -10.618   4.038
  213    HA3  GLY  28          1HA       GLY  28   2.517 -10.437   4.854
  214    H    PHE  29           HN       PHE  29   3.234  -8.033   2.571
  215    HA   PHE  29           HA       PHE  29   1.338  -9.226   0.690
  216    HB2  PHE  29          2HB       PHE  29   2.024  -6.358   1.304
  217    HB3  PHE  29          1HB       PHE  29   0.941  -6.853   0.004
  218    HD1  PHE  29          1HD       PHE  29  -1.064  -8.216   0.660
  219    HD2  PHE  29          2HD       PHE  29   1.229  -5.999   3.442
  220    HE1  PHE  29          1HE       PHE  29  -2.949  -8.218   2.177
  221    HE2  PHE  29          2HE       PHE  29  -0.658  -5.993   5.016
  222    HZ   PHE  29           HZ       PHE  29  -2.770  -7.105   4.395
  223    HA   PRO  30           HA       PRO  30   4.477  -9.013  -2.509
  224    HB2  PRO  30          2HB       PRO  30   2.600  -7.840  -4.436
  225    HB3  PRO  30          1HB       PRO  30   3.360  -9.430  -4.457
  226    HG2  PRO  30          2HG       PRO  30   0.739  -9.115  -3.961
  227    HG3  PRO  30          1HG       PRO  30   1.690 -10.387  -3.171
  228    HD2  PRO  30          2HD       PRO  30   0.815  -7.726  -2.102
  229    HD3  PRO  30          1HD       PRO  30   0.802  -9.306  -1.302
  230    H    GLY  31           HN       GLY  31   2.333  -6.161  -2.976
  231    HA2  GLY  31          2HA       GLY  31   4.529  -4.362  -2.537
  232    HA3  GLY  31          1HA       GLY  31   3.966  -4.430  -4.205
  233    H    GLY  32           HN       GLY  32   3.698  -2.046  -3.167
  234    HA2  GLY  32          2HA       GLY  32   0.852  -1.859  -2.571
  235    HA3  GLY  32          1HA       GLY  32   2.019  -1.032  -1.529
  236    H    ARG  33           HN       ARG  33  -0.025   0.240  -2.993
  237    HA   ARG  33           HA       ARG  33   1.575   2.061  -4.550
  238    HB2  ARG  33          2HB       ARG  33   0.921   0.149  -6.093
  239    HB3  ARG  33          1HB       ARG  33  -0.747   0.640  -5.876
  240    HG2  ARG  33          2HG       ARG  33   0.181   1.451  -7.973
  241    HG3  ARG  33          1HG       ARG  33  -0.266   2.788  -6.909
  242    HD2  ARG  33          2HD       ARG  33   2.056   3.063  -6.238
  243    HD3  ARG  33          1HD       ARG  33   2.526   1.674  -7.220
  244    HE   ARG  33           HE       ARG  33   1.480   3.141  -9.063
  245   HH11  ARG  33          1HH1      ARG  33   3.450   4.380  -6.352
  246   HH12  ARG  33          2HH1      ARG  33   4.182   5.586  -7.309
  247   HH21  ARG  33          1HH2      ARG  33   2.523   4.811 -10.318
  248   HH22  ARG  33          2HH2      ARG  33   3.652   5.842  -9.593
  249    H    CYS  34           HN       CYS  34   0.139   3.943  -5.321
  250    HA   CYS  34           HA       CYS  34  -1.389   5.038  -3.276
  251    HB2  CYS  34          2HB       CYS  34  -1.264   5.726  -6.210
  252    HB3  CYS  34          1HB       CYS  34  -2.071   6.709  -4.992
  253    H    ARG  35           HN       ARG  35  -3.345   4.716  -2.690
  254    HA   ARG  35           HA       ARG  35  -5.411   4.104  -4.624
  255    HB2  ARG  35          2HB       ARG  35  -4.677   1.859  -4.013
  256    HB3  ARG  35          1HB       ARG  35  -4.823   2.268  -2.308
  257    HG2  ARG  35          2HG       ARG  35  -6.684   0.885  -3.024
  258    HG3  ARG  35          1HG       ARG  35  -7.231   2.488  -2.545
  259    HD2  ARG  35          2HD       ARG  35  -8.411   1.940  -4.499
  260    HD3  ARG  35          1HD       ARG  35  -7.198   3.115  -4.979
  261    HE   ARG  35           HE       ARG  35  -6.986   0.212  -5.430
  262   HH11  ARG  35          1HH1      ARG  35  -6.258   3.525  -6.524
  263   HH12  ARG  35          2HH1      ARG  35  -5.659   3.040  -8.037
  264   HH21  ARG  35          1HH2      ARG  35  -6.174  -0.432  -7.540
  265   HH22  ARG  35          2HH2      ARG  35  -5.630   0.749  -8.636
  266    H    GLY  36           HN       GLY  36  -4.462   4.880  -1.337
  267    HA2  GLY  36          2HA       GLY  36  -7.009   5.377  -0.312
  268    HA3  GLY  36          1HA       GLY  36  -5.490   6.020   0.298
  269    H    PHE  37           HN       PHE  37  -8.168   7.176  -0.081
  270    HA   PHE  37           HA       PHE  37  -8.217   9.073  -2.171
  271    HB2  PHE  37          2HB       PHE  37  -9.475   9.477   0.537
  272    HB3  PHE  37          1HB       PHE  37 -10.062  10.021  -1.030
  273    HD1  PHE  37          1HD       PHE  37 -10.068   7.418   1.415
  274    HD2  PHE  37          2HD       PHE  37 -10.955   8.303  -2.647
  275    HE1  PHE  37          1HE       PHE  37 -11.409   5.422   1.304
  276    HE2  PHE  37          2HE       PHE  37 -12.332   6.274  -2.785
  277    HZ   PHE  37           HZ       PHE  37 -12.570   4.817  -0.808
  278    H    ARG  38           HN       ARG  38  -6.759   8.910   0.918
  279    HA   ARG  38           HA       ARG  38  -6.033  11.738   1.050
  280    HB2  ARG  38          2HB       ARG  38  -5.368   9.456   2.927
  281    HB3  ARG  38          1HB       ARG  38  -5.208  11.171   3.267
  282    HG2  ARG  38          2HG       ARG  38  -7.815   9.740   2.760
  283    HG3  ARG  38          1HG       ARG  38  -7.168  10.118   4.351
  284    HD2  ARG  38          2HD       ARG  38  -7.295  12.482   3.885
  285    HD3  ARG  38          1HD       ARG  38  -7.798  12.164   2.224
  286    HE   ARG  38           HE       ARG  38  -9.660  10.885   3.599
  287   HH11  ARG  38          1HH1      ARG  38  -8.376  14.127   4.134
  288   HH12  ARG  38          2HH1      ARG  38  -9.862  14.806   4.602
  289   HH21  ARG  38          1HH2      ARG  38 -11.713  11.794   4.246
  290   HH22  ARG  38          2HH2      ARG  38 -11.826  13.426   4.683
  291    H    ARG  39           HN       ARG  39  -4.990   9.635  -0.949
  292    HA   ARG  39           HA       ARG  39  -3.133   8.989  -1.993
  293    HB2  ARG  39          2HB       ARG  39  -1.998  11.416  -0.591
  294    HB3  ARG  39          1HB       ARG  39  -1.104  10.497  -1.797
  295    HG2  ARG  39          2HG       ARG  39  -2.763  11.007  -3.477
  296    HG3  ARG  39          1HG       ARG  39  -3.756  11.829  -2.273
  297    HD2  ARG  39          2HD       ARG  39  -0.984  12.661  -3.108
  298    HD3  ARG  39          1HD       ARG  39  -2.487  13.384  -3.682
  299    HE   ARG  39           HE       ARG  39  -1.936  13.329  -0.821
  300   HH11  ARG  39          1HH1      ARG  39  -2.307  15.224  -3.770
  301   HH12  ARG  39          2HH1      ARG  39  -2.390  16.719  -2.980
  302   HH21  ARG  39          1HH2      ARG  39  -2.054  15.353   0.280
  303   HH22  ARG  39          2HH2      ARG  39  -2.235  16.804  -0.581
  304    H    ARG  40           HN       ARG  40  -3.769   7.572   0.055
  305    HA   ARG  40           HA       ARG  40  -1.345   7.043   1.571
  306    HB2  ARG  40          2HB       ARG  40  -4.166   6.046   1.934
  307    HB3  ARG  40          1HB       ARG  40  -2.803   5.383   2.817
  308    HG2  ARG  40          2HG       ARG  40  -2.361   7.647   3.724
  309    HG3  ARG  40          1HG       ARG  40  -3.827   8.206   2.920
  310    HD2  ARG  40          2HD       ARG  40  -4.244   7.670   5.281
  311    HD3  ARG  40          1HD       ARG  40  -5.153   6.608   4.208
  312    HE   ARG  40           HE       ARG  40  -2.729   5.361   4.802
  313   HH11  ARG  40          1HH1      ARG  40  -5.700   6.284   6.503
  314   HH12  ARG  40          2HH1      ARG  40  -5.600   5.044   7.637
  315   HH21  ARG  40          1HH2      ARG  40  -2.570   3.685   6.404
  316   HH22  ARG  40          2HH2      ARG  40  -3.773   3.576   7.626
  317    H    CYS  41           HN       CYS  41  -0.541   4.935   1.700
  318    HA   CYS  41           HA       CYS  41  -0.639   3.673  -0.895
  319    HB2  CYS  41          2HB       CYS  41   1.528   4.221   0.237
  320    HB3  CYS  41          1HB       CYS  41   1.130   3.027   1.467
  321    H    PHE  42           HN       PHE  42  -1.486   1.732  -1.299
  322    HA   PHE  42           HA       PHE  42  -2.434   0.115   0.946
  323    HB2  PHE  42          2HB       PHE  42  -3.804   0.694  -1.680
  324    HB3  PHE  42          1HB       PHE  42  -4.156  -0.734  -0.733
  325    HD1  PHE  42          1HD       PHE  42  -3.749   2.873   0.207
  326    HD2  PHE  42          2HD       PHE  42  -6.244  -0.571   0.189
  327    HE1  PHE  42          1HE       PHE  42  -5.486   4.110   1.433
  328    HE2  PHE  42          2HE       PHE  42  -7.967   0.655   1.396
  329    HZ   PHE  42           HZ       PHE  42  -7.599   2.999   2.037
  330    H    CYS  43           HN       CYS  43  -1.988  -1.955   0.821
  331    HA   CYS  43           HA       CYS  43  -0.048  -2.821  -1.096
  332    HB2  CYS  43          2HB       CYS  43  -1.421  -4.280   1.159
  333    HB3  CYS  43          1HB       CYS  43   0.006  -4.822   0.280
  334    H    THR  44           HN       THR  44  -0.499  -4.015  -2.821
  335    HA   THR  44           HA       THR  44  -3.257  -4.587  -3.437
  336    HB   THR  44           HB       THR  44  -0.789  -5.159  -5.101
  337    HG1  THR  44          1HG       THR  44  -0.595  -3.065  -5.229
  338   HG21  THR  44          1HG2      THR  44  -3.672  -4.597  -5.836
  339   HG22  THR  44          2HG2      THR  44  -2.917  -6.188  -5.836
  340   HG23  THR  44          3HG2      THR  44  -2.363  -4.945  -6.965
  341    H    THR  45           HN       THR  45  -4.076  -6.468  -2.741
  342    HA   THR  45           HA       THR  45  -2.290  -8.762  -2.632
  343    HB   THR  45           HB       THR  45  -2.714  -7.837  -0.352
  344    HG1  THR  45          1HG       THR  45  -3.653  -9.903   0.506
  345   HG21  THR  45          1HG2      THR  45  -5.586  -8.619  -0.856
  346   HG22  THR  45          2HG2      THR  45  -4.988  -6.967  -0.732
  347   HG23  THR  45          3HG2      THR  45  -4.935  -8.029   0.674
  348    H    HIS  46           HN       HIS  46  -3.686 -10.820  -2.464
  349    HA   HIS  46           HA       HIS  46  -5.941 -10.546  -4.312
  350    HB2  HIS  46          2HB       HIS  46  -5.506 -12.867  -5.042
  351    HB3  HIS  46          1HB       HIS  46  -4.090 -11.862  -5.298
  352    HD1  HIS  46          1HD       HIS  46  -5.275 -14.896  -3.468
  353    HD2  HIS  46          2HD       HIS  46  -1.881 -12.511  -3.647
  354    HE1  HIS  46          1HE       HIS  46  -3.461 -16.167  -2.265
  355    H    CYS  47           HN       CYS  47  -7.855 -11.598  -3.784
  356    HA   CYS  47           HA       CYS  47  -7.905 -12.586  -1.066
  357    HB2  CYS  47          2HB       CYS  47 -10.085 -11.446  -2.809
  358    HB3  CYS  47          1HB       CYS  47 -10.424 -12.257  -1.280
  Start of MODEL    7
    1    H1   ARG   1          1HT       ARG   1  -8.081 -12.858  -6.754
    2    H2   ARG   1          2HT       ARG   1  -9.683 -13.102  -7.179
    3    H3   ARG   1          3HT       ARG   1  -9.296 -12.578  -5.630
    4    HA   ARG   1           HA       ARG   1  -8.825 -11.107  -8.184
    5    HB2  ARG   1          2HB       ARG   1 -10.500  -9.511  -7.393
    6    HB3  ARG   1          1HB       ARG   1 -11.209 -11.115  -7.484
    7    HG2  ARG   1          2HG       ARG   1 -11.046 -11.370  -5.105
    8    HG3  ARG   1          1HG       ARG   1 -10.151  -9.863  -4.966
    9    HD2  ARG   1          2HD       ARG   1 -12.453  -9.523  -4.320
   10    HD3  ARG   1          1HD       ARG   1 -12.082  -8.634  -5.792
   11    HE   ARG   1           HE       ARG   1 -13.211 -11.198  -6.317
   12   HH11  ARG   1          1HH1      ARG   1 -14.035  -7.892  -5.374
   13   HH12  ARG   1          2HH1      ARG   1 -15.602  -7.932  -6.040
   14   HH21  ARG   1          1HH2      ARG   1 -15.414 -11.245  -7.222
   15   HH22  ARG   1          2HH2      ARG   1 -16.385  -9.841  -7.120
   16    H    THR   2           HN       THR   2  -8.223  -8.781  -7.698
   17    HA   THR   2           HA       THR   2  -6.208  -8.750  -5.675
   18    HB   THR   2           HB       THR   2  -5.899  -6.405  -6.733
   19    HG1  THR   2          1HG       THR   2  -6.857  -6.180  -8.744
   20   HG21  THR   2          1HG2      THR   2  -4.391  -8.308  -7.118
   21   HG22  THR   2          2HG2      THR   2  -4.641  -7.392  -8.604
   22   HG23  THR   2          3HG2      THR   2  -5.484  -8.923  -8.357
   23    H    CYS   3           HN       CYS   3  -6.468  -7.881  -3.768
   24    HA   CYS   3           HA       CYS   3  -8.691  -6.031  -3.314
   25    HB2  CYS   3          2HB       CYS   3  -7.537  -8.146  -1.484
   26    HB3  CYS   3          1HB       CYS   3  -8.755  -6.964  -0.993
   27    H    GLN   4           HN       GLN   4  -8.104  -4.178  -2.391
   28    HA   GLN   4           HA       GLN   4  -5.294  -3.966  -1.662
   29    HB2  GLN   4          2HB       GLN   4  -7.171  -1.836  -2.699
   30    HB3  GLN   4          1HB       GLN   4  -5.537  -1.510  -2.130
   31    HG2  GLN   4          2HG       GLN   4  -4.659  -3.001  -3.820
   32    HG3  GLN   4          1HG       GLN   4  -6.290  -3.306  -4.424
   33   HE21  GLN   4          1HE2      GLN   4  -5.919  -2.516  -6.450
   34   HE22  GLN   4          2HE2      GLN   4  -5.597  -0.863  -6.804
   35    H    SER   5           HN       SER   5  -4.770  -3.510   0.289
   36    HA   SER   5           HA       SER   5  -6.788  -2.498   2.153
   37    HB2  SER   5          2HB       SER   5  -6.281  -5.041   2.277
   38    HB3  SER   5          1HB       SER   5  -4.662  -4.579   2.778
   39    HG   SER   5           HG       SER   5  -7.016  -4.587   4.139
   40    H    GLN   6           HN       GLN   6  -5.800  -0.928   3.563
   41    HA   GLN   6           HA       GLN   6  -3.522   0.351   2.440
   42    HB2  GLN   6          2HB       GLN   6  -3.597   1.923   4.245
   43    HB3  GLN   6          1HB       GLN   6  -5.254   1.565   3.775
   44    HG2  GLN   6          2HG       GLN   6  -5.663   0.329   5.694
   45    HG3  GLN   6          1HG       GLN   6  -3.948   0.081   6.010
   46   HE21  GLN   6          1HE2      GLN   6  -2.737   1.810   6.873
   47   HE22  GLN   6          2HE2      GLN   6  -3.515   3.087   7.721
   48    H    SER   7           HN       SER   7  -1.452   0.674   3.360
   49    HA   SER   7           HA       SER   7  -0.436  -1.537   4.860
   50    HB2  SER   7          2HB       SER   7   0.911  -0.388   3.101
   51    HB3  SER   7          1HB       SER   7   0.883   1.083   4.073
   52    HG   SER   7           HG       SER   7   1.863  -1.407   4.964
   53    H    HIS   8           HN       HIS   8   0.076  -1.477   7.079
   54    HA   HIS   8           HA       HIS   8  -1.286   0.725   8.432
   55    HB2  HIS   8          2HB       HIS   8  -2.072  -1.557   8.966
   56    HB3  HIS   8          1HB       HIS   8  -0.466  -1.965   9.557
   57    HD1  HIS   8          1HD       HIS   8  -0.182  -1.676  12.041
   58    HD2  HIS   8          2HD       HIS   8  -3.213   0.696  10.502
   59    HE1  HIS   8          1HE       HIS   8  -1.240  -0.567  14.022
   60    H    ARG   9           HN       ARG   9   1.775  -0.972   8.353
   61    HA   ARG   9           HA       ARG   9   2.833   0.861  10.369
   62    HB2  ARG   9          2HB       ARG   9   4.817  -0.502  10.414
   63    HB3  ARG   9          1HB       ARG   9   3.416  -1.558  10.460
   64    HG2  ARG   9          2HG       ARG   9   3.705  -1.930   8.027
   65    HG3  ARG   9          1HG       ARG   9   5.196  -0.992   8.121
   66    HD2  ARG   9          2HD       ARG   9   5.699  -3.345   8.225
   67    HD3  ARG   9          1HD       ARG   9   6.059  -2.595   9.789
   68    HE   ARG   9           HE       ARG   9   3.456  -3.546   9.850
   69   HH11  ARG   9          1HH1      ARG   9   6.744  -4.850   9.705
   70   HH12  ARG   9          2HH1      ARG   9   6.299  -6.357  10.360
   71   HH21  ARG   9          1HH2      ARG   9   2.866  -5.631  10.706
   72   HH22  ARG   9          2HH2      ARG   9   4.059  -6.824  10.920
   73    H    PHE  10           HN       PHE  10   2.108   1.523   7.490
   74    HA   PHE  10           HA       PHE  10   4.615   2.322   6.339
   75    HB2  PHE  10          2HB       PHE  10   2.691   1.608   4.933
   76    HB3  PHE  10          1HB       PHE  10   1.815   3.047   5.448
   77    HD1  PHE  10          1HD       PHE  10   2.106   5.071   4.281
   78    HD2  PHE  10          2HD       PHE  10   4.878   1.913   3.728
   79    HE1  PHE  10          1HE       PHE  10   3.176   6.324   2.463
   80    HE2  PHE  10          2HE       PHE  10   5.955   3.158   1.911
   81    HZ   PHE  10           HZ       PHE  10   5.097   5.374   1.272
   82    H    ARG  11           HN       ARG  11   5.232   4.379   5.924
   83    HA   ARG  11           HA       ARG  11   4.024   6.495   7.430
   84    HB2  ARG  11          2HB       ARG  11   6.376   7.123   8.198
   85    HB3  ARG  11          1HB       ARG  11   5.579   5.789   9.022
   86    HG2  ARG  11          2HG       ARG  11   6.840   4.255   7.454
   87    HG3  ARG  11          1HG       ARG  11   7.786   5.673   6.995
   88    HD2  ARG  11          2HD       ARG  11   7.378   4.766   9.792
   89    HD3  ARG  11          1HD       ARG  11   8.764   4.243   8.821
   90    HE   ARG  11           HE       ARG  11   8.974   6.866   8.647
   91   HH11  ARG  11          1HH1      ARG  11   8.322   4.902  11.535
   92   HH12  ARG  11          2HH1      ARG  11   9.097   5.979  12.594
   93   HH21  ARG  11          1HH2      ARG  11  10.061   8.307  10.103
   94   HH22  ARG  11          2HH2      ARG  11  10.122   7.938  11.766
   95    H    GLY  12           HN       GLY  12   4.004   8.290   6.234
   96    HA2  GLY  12          2HA       GLY  12   5.039   9.883   4.811
   97    HA3  GLY  12          1HA       GLY  12   5.911   8.569   4.033
   98    HA   PRO  13           HA       PRO  13   2.193   9.228   1.426
   99    HB2  PRO  13          2HB       PRO  13   3.363  10.226  -0.771
  100    HB3  PRO  13          1HB       PRO  13   2.951  11.259   0.602
  101    HG2  PRO  13          2HG       PRO  13   5.600  10.254  -0.282
  102    HG3  PRO  13          1HG       PRO  13   5.194  11.747   0.576
  103    HD2  PRO  13          2HD       PRO  13   6.202   9.340   1.710
  104    HD3  PRO  13          1HD       PRO  13   5.607  10.762   2.583
  105    H    CYS  14           HN       CYS  14   1.497   7.790  -0.196
  106    HA   CYS  14           HA       CYS  14   2.945   5.387  -0.518
  107    HB2  CYS  14          2HB       CYS  14   1.132   4.748  -2.029
  108    HB3  CYS  14          1HB       CYS  14   0.507   5.491  -0.557
  109    H    LEU  15           HN       LEU  15   3.079   8.319  -2.144
  110    HA   LEU  15           HA       LEU  15   3.633   7.607  -4.789
  111    HB2  LEU  15          2HB       LEU  15   4.528  10.024  -3.220
  112    HB3  LEU  15          1HB       LEU  15   4.878   9.817  -4.918
  113    HG   LEU  15           HG       LEU  15   3.053  11.319  -4.727
  114   HD11  LEU  15          1HD1      LEU  15   1.296  10.228  -5.981
  115   HD12  LEU  15          2HD1      LEU  15   1.979   8.655  -5.589
  116   HD13  LEU  15          3HD1      LEU  15   2.898   9.794  -6.576
  117   HD21  LEU  15          1HD2      LEU  15   2.256  10.786  -2.494
  118   HD22  LEU  15          2HD2      LEU  15   1.623   9.243  -3.066
  119   HD23  LEU  15          3HD2      LEU  15   0.920  10.753  -3.644
  120    H    ARG  16           HN       ARG  16   5.558   7.359  -1.989
  121    HA   ARG  16           HA       ARG  16   7.989   6.928  -3.472
  122    HB2  ARG  16          2HB       ARG  16   7.711   7.812  -1.017
  123    HB3  ARG  16          1HB       ARG  16   7.470   6.120  -0.608
  124    HG2  ARG  16          2HG       ARG  16   9.742   6.668  -0.190
  125    HG3  ARG  16          1HG       ARG  16   9.691   5.639  -1.623
  126    HD2  ARG  16          2HD       ARG  16  11.227   7.498  -1.947
  127    HD3  ARG  16          1HD       ARG  16   9.860   7.638  -3.051
  128    HE   ARG  16           HE       ARG  16   9.556   9.033  -0.557
  129   HH11  ARG  16          1HH1      ARG  16  10.646   9.316  -3.898
  130   HH12  ARG  16          2HH1      ARG  16  10.604  11.017  -3.922
  131   HH21  ARG  16          1HH2      ARG  16   9.467  11.358  -0.576
  132   HH22  ARG  16          2HH2      ARG  16   9.962  12.210  -1.969
  133    H    ARG  17           HN       ARG  17   7.012   5.387  -4.862
  134    HA   ARG  17           HA       ARG  17   5.375   3.265  -4.176
  135    HB2  ARG  17          2HB       ARG  17   7.111   3.596  -6.597
  136    HB3  ARG  17          1HB       ARG  17   5.928   2.313  -6.406
  137    HG2  ARG  17          2HG       ARG  17   4.129   3.890  -6.304
  138    HG3  ARG  17          1HG       ARG  17   5.262   5.244  -6.288
  139    HD2  ARG  17          2HD       ARG  17   4.316   4.950  -8.517
  140    HD3  ARG  17          1HD       ARG  17   6.042   4.623  -8.499
  141    HE   ARG  17           HE       ARG  17   4.491   2.251  -8.178
  142   HH11  ARG  17          1HH1      ARG  17   5.811   4.490 -10.606
  143   HH12  ARG  17          2HH1      ARG  17   5.756   3.356 -11.868
  144   HH21  ARG  17          1HH2      ARG  17   4.459   0.713  -9.897
  145   HH22  ARG  17          2HH2      ARG  17   4.971   1.114 -11.465
  146    H    SER  18           HN       SER  18   8.906   3.085  -4.696
  147    HA   SER  18           HA       SER  18   8.996   0.307  -4.335
  148    HB2  SER  18          2HB       SER  18  10.869   1.638  -5.345
  149    HB3  SER  18          1HB       SER  18  11.215   2.288  -3.744
  150    HG   SER  18           HG       SER  18  11.071  -0.454  -3.885
  151    H    ASN  19           HN       ASN  19   9.018   2.967  -2.064
  152    HA   ASN  19           HA       ASN  19   9.651   1.289   0.162
  153    HB2  ASN  19          2HB       ASN  19   8.751   4.158  -0.010
  154    HB3  ASN  19          1HB       ASN  19   8.960   3.330   1.532
  155   HD21  ASN  19          1HD2      ASN  19  10.987   2.892   2.260
  156   HD22  ASN  19          2HD2      ASN  19  12.423   3.486   1.524
  157    H    CYS  20           HN       CYS  20   6.741   2.600  -1.246
  158    HA   CYS  20           HA       CYS  20   4.884   1.735   0.673
  159    HB2  CYS  20          2HB       CYS  20   4.343   3.285  -1.195
  160    HB3  CYS  20          1HB       CYS  20   4.594   1.989  -2.346
  161    H    ALA  21           HN       ALA  21   6.211   0.107  -2.198
  162    HA   ALA  21           HA       ALA  21   4.871  -2.354  -1.826
  163    HB1  ALA  21          1HB       ALA  21   7.497  -1.827  -3.220
  164    HB2  ALA  21          2HB       ALA  21   5.904  -1.672  -3.955
  165    HB3  ALA  21          3HB       ALA  21   6.477  -3.254  -3.421
  166    H    ASN  22           HN       ASN  22   8.045  -1.170  -0.852
  167    HA   ASN  22           HA       ASN  22   9.082  -3.438   0.355
  168    HB2  ASN  22          2HB       ASN  22  10.499  -1.512   0.001
  169    HB3  ASN  22          1HB       ASN  22   9.465  -0.527   1.021
  170   HD21  ASN  22          1HD2      ASN  22  11.827  -3.101   1.015
  171   HD22  ASN  22          2HD2      ASN  22  12.280  -2.926   2.672
  172    H    VAL  23           HN       VAL  23   7.181  -0.845   1.877
  173    HA   VAL  23           HA       VAL  23   7.224  -2.078   4.397
  174    HB   VAL  23           HB       VAL  23   5.316   0.011   3.324
  175   HG11  VAL  23          1HG1      VAL  23   4.333  -1.200   5.221
  176   HG12  VAL  23          2HG1      VAL  23   4.777   0.440   5.695
  177   HG13  VAL  23          3HG1      VAL  23   5.802  -0.923   6.153
  178   HG21  VAL  23          1HG2      VAL  23   6.706   1.555   4.674
  179   HG22  VAL  23          2HG2      VAL  23   7.619   0.757   3.396
  180   HG23  VAL  23          3HG2      VAL  23   7.776   0.207   5.063
  181    H    CYS  24           HN       CYS  24   4.723  -2.083   1.855
  182    HA   CYS  24           HA       CYS  24   2.953  -3.766   3.169
  183    HB2  CYS  24          2HB       CYS  24   3.556  -3.415   0.239
  184    HB3  CYS  24          1HB       CYS  24   2.266  -4.465   0.797
  185    H    ARG  25           HN       ARG  25   5.844  -4.548   1.317
  186    HA   ARG  25           HA       ARG  25   5.434  -7.337   1.402
  187    HB2  ARG  25          2HB       ARG  25   6.840  -6.185  -0.275
  188    HB3  ARG  25          1HB       ARG  25   7.996  -5.800   0.987
  189    HG2  ARG  25          2HG       ARG  25   8.576  -8.094   1.256
  190    HG3  ARG  25          1HG       ARG  25   7.244  -8.606   0.215
  191    HD2  ARG  25          2HD       ARG  25   9.584  -6.916  -0.642
  192    HD3  ARG  25          1HD       ARG  25   9.392  -8.642  -0.964
  193    HE   ARG  25           HE       ARG  25   7.224  -7.878  -2.086
  194   HH11  ARG  25          1HH1      ARG  25  10.214  -5.988  -2.146
  195   HH12  ARG  25          2HH1      ARG  25   9.892  -5.275  -3.650
  196   HH21  ARG  25          1HH2      ARG  25   6.756  -6.859  -4.086
  197   HH22  ARG  25          2HH2      ARG  25   7.871  -5.775  -4.794
  198    H    THR  26           HN       THR  26   7.067  -5.071   3.548
  199    HA   THR  26           HA       THR  26   8.089  -7.140   5.188
  200    HB   THR  26           HB       THR  26   8.476  -5.376   6.936
  201    HG1  THR  26          1HG       THR  26   6.726  -3.946   5.404
  202   HG21  THR  26          1HG2      THR  26   9.430  -4.652   4.167
  203   HG22  THR  26          2HG2      THR  26  10.165  -5.850   5.226
  204   HG23  THR  26          3HG2      THR  26  10.181  -4.145   5.680
  205    H    GLU  27           HN       GLU  27   4.985  -5.558   5.046
  206    HA   GLU  27           HA       GLU  27   4.114  -6.620   7.573
  207    HB2  GLU  27          2HB       GLU  27   2.436  -5.554   5.286
  208    HB3  GLU  27          1HB       GLU  27   1.876  -5.859   6.928
  209    HG2  GLU  27          2HG       GLU  27   3.502  -4.166   7.711
  210    HG3  GLU  27          1HG       GLU  27   3.849  -3.795   6.026
  211    H    GLY  28           HN       GLY  28   4.378  -7.759   4.396
  212    HA2  GLY  28          2HA       GLY  28   4.428 -10.199   4.157
  213    HA3  GLY  28          1HA       GLY  28   3.032 -10.255   5.222
  214    H    PHE  29           HN       PHE  29   3.361  -7.923   2.639
  215    HA   PHE  29           HA       PHE  29   1.337  -9.378   1.121
  216    HB2  PHE  29          2HB       PHE  29   1.694  -6.401   1.517
  217    HB3  PHE  29          1HB       PHE  29   0.589  -7.099   0.335
  218    HD1  PHE  29          1HD       PHE  29  -1.170  -8.705   1.206
  219    HD2  PHE  29          2HD       PHE  29   0.999  -6.046   3.706
  220    HE1  PHE  29          1HE       PHE  29  -2.905  -8.912   2.913
  221    HE2  PHE  29          2HE       PHE  29  -0.729  -6.253   5.428
  222    HZ   PHE  29           HZ       PHE  29  -2.690  -7.687   5.036
  223    HA   PRO  30           HA       PRO  30   4.041  -9.305  -2.372
  224    HB2  PRO  30          2HB       PRO  30   1.955  -8.152  -4.115
  225    HB3  PRO  30          1HB       PRO  30   2.774  -9.711  -4.233
  226    HG2  PRO  30          2HG       PRO  30   0.220  -9.518  -3.456
  227    HG3  PRO  30          1HG       PRO  30   1.311 -10.739  -2.766
  228    HD2  PRO  30          2HD       PRO  30   0.380  -8.139  -1.622
  229    HD3  PRO  30          1HD       PRO  30   0.605  -9.707  -0.818
  230    H    GLY  31           HN       GLY  31   1.969  -6.364  -2.668
  231    HA2  GLY  31          2HA       GLY  31   4.270  -4.670  -2.500
  232    HA3  GLY  31          1HA       GLY  31   3.587  -4.772  -4.119
  233    H    GLY  32           HN       GLY  32   3.459  -2.351  -3.330
  234    HA2  GLY  32          2HA       GLY  32   0.722  -1.978  -2.391
  235    HA3  GLY  32          1HA       GLY  32   2.038  -1.070  -1.649
  236    H    ARG  33           HN       ARG  33  -0.089   0.166  -2.900
  237    HA   ARG  33           HA       ARG  33   1.302   1.726  -4.868
  238    HB2  ARG  33          2HB       ARG  33  -0.462   1.473  -6.597
  239    HB3  ARG  33          1HB       ARG  33   0.454   0.002  -6.322
  240    HG2  ARG  33          2HG       ARG  33  -1.387  -0.876  -4.957
  241    HG3  ARG  33          1HG       ARG  33  -2.307   0.598  -5.272
  242    HD2  ARG  33          2HD       ARG  33  -3.002  -1.182  -6.779
  243    HD3  ARG  33          1HD       ARG  33  -2.224   0.132  -7.660
  244    HE   ARG  33           HE       ARG  33  -0.722  -2.272  -6.906
  245   HH11  ARG  33          1HH1      ARG  33  -1.887  -0.063  -9.444
  246   HH12  ARG  33          2HH1      ARG  33  -1.011  -0.793 -10.692
  247   HH21  ARG  33          1HH2      ARG  33   0.473  -3.283  -8.628
  248   HH22  ARG  33          2HH2      ARG  33   0.368  -2.703 -10.218
  249    H    CYS  34           HN       CYS  34  -0.388   3.437  -5.765
  250    HA   CYS  34           HA       CYS  34  -1.593   4.674  -3.412
  251    HB2  CYS  34          2HB       CYS  34  -0.813   5.690  -6.131
  252    HB3  CYS  34          1HB       CYS  34  -1.666   6.673  -4.961
  253    H    ARG  35           HN       ARG  35  -3.768   4.982  -3.230
  254    HA   ARG  35           HA       ARG  35  -5.381   5.295  -5.631
  255    HB2  ARG  35          2HB       ARG  35  -6.962   3.549  -5.301
  256    HB3  ARG  35          1HB       ARG  35  -5.383   2.802  -5.073
  257    HG2  ARG  35          2HG       ARG  35  -5.632   2.739  -2.733
  258    HG3  ARG  35          1HG       ARG  35  -7.069   3.758  -2.794
  259    HD2  ARG  35          2HD       ARG  35  -6.823   0.976  -3.924
  260    HD3  ARG  35          1HD       ARG  35  -7.627   1.409  -2.417
  261    HE   ARG  35           HE       ARG  35  -8.744   2.908  -4.510
  262   HH11  ARG  35          1HH1      ARG  35  -8.696  -0.380  -3.250
  263   HH12  ARG  35          2HH1      ARG  35 -10.126  -0.871  -4.029
  264   HH21  ARG  35          1HH2      ARG  35 -10.753   2.303  -5.492
  265   HH22  ARG  35          2HH2      ARG  35 -11.367   0.718  -5.304
  266    H    GLY  36           HN       GLY  36  -4.601   6.474  -2.765
  267    HA2  GLY  36          2HA       GLY  36  -7.371   6.934  -1.908
  268    HA3  GLY  36          1HA       GLY  36  -6.015   6.820  -0.795
  269    H    PHE  37           HN       PHE  37  -8.011   8.929  -1.388
  270    HA   PHE  37           HA       PHE  37  -6.901  11.160  -2.624
  271    HB2  PHE  37          2HB       PHE  37  -9.252  11.009  -1.876
  272    HB3  PHE  37          1HB       PHE  37  -8.725  11.036  -0.203
  273    HD1  PHE  37          1HD       PHE  37  -8.908  13.033  -3.305
  274    HD2  PHE  37          2HD       PHE  37  -8.351  13.093   0.912
  275    HE1  PHE  37          1HE       PHE  37  -9.116  15.472  -3.318
  276    HE2  PHE  37          2HE       PHE  37  -8.556  15.546   0.907
  277    HZ   PHE  37           HZ       PHE  37  -8.942  16.741  -1.207
  278    H    ARG  38           HN       ARG  38  -6.457   9.862   0.567
  279    HA   ARG  38           HA       ARG  38  -4.812  12.040   1.512
  280    HB2  ARG  38          2HB       ARG  38  -5.582   9.393   2.728
  281    HB3  ARG  38          1HB       ARG  38  -4.533  10.554   3.525
  282    HG2  ARG  38          2HG       ARG  38  -7.379  11.080   2.682
  283    HG3  ARG  38          1HG       ARG  38  -6.860  10.651   4.314
  284    HD2  ARG  38          2HD       ARG  38  -6.048  13.104   2.759
  285    HD3  ARG  38          1HD       ARG  38  -7.152  13.048   4.124
  286    HE   ARG  38           HE       ARG  38  -5.091  12.053   5.313
  287   HH11  ARG  38          1HH1      ARG  38  -5.054  14.702   2.967
  288   HH12  ARG  38          2HH1      ARG  38  -3.643  15.405   3.575
  289   HH21  ARG  38          1HH2      ARG  38  -3.145  13.043   6.164
  290   HH22  ARG  38          2HH2      ARG  38  -2.525  14.436   5.419
  291    H    ARG  39           HN       ARG  39  -4.035   9.971  -0.772
  292    HA   ARG  39           HA       ARG  39  -2.113   9.081  -1.616
  293    HB2  ARG  39          2HB       ARG  39  -0.835  10.849   0.493
  294    HB3  ARG  39          1HB       ARG  39   0.048  10.049  -0.798
  295    HG2  ARG  39          2HG       ARG  39  -1.120  11.355  -2.457
  296    HG3  ARG  39          1HG       ARG  39  -2.130  12.091  -1.208
  297    HD2  ARG  39          2HD       ARG  39   0.873  12.334  -1.372
  298    HD3  ARG  39          1HD       ARG  39  -0.268  13.547  -1.947
  299    HE   ARG  39           HE       ARG  39  -1.087  13.394   0.486
  300   HH11  ARG  39          1HH1      ARG  39   2.315  13.386  -0.588
  301   HH12  ARG  39          2HH1      ARG  39   2.880  14.121   0.840
  302   HH21  ARG  39          1HH2      ARG  39  -0.227  14.444   2.432
  303   HH22  ARG  39          2HH2      ARG  39   1.446  14.727   2.554
  304    H    ARG  40           HN       ARG  40  -3.372   7.410  -0.102
  305    HA   ARG  40           HA       ARG  40  -1.762   6.431   2.111
  306    HB2  ARG  40          2HB       ARG  40  -4.439   5.556   1.054
  307    HB3  ARG  40          1HB       ARG  40  -3.673   4.912   2.502
  308    HG2  ARG  40          2HG       ARG  40  -3.857   7.019   3.610
  309    HG3  ARG  40          1HG       ARG  40  -4.374   7.806   2.119
  310    HD2  ARG  40          2HD       ARG  40  -6.294   7.444   3.532
  311    HD3  ARG  40          1HD       ARG  40  -6.399   6.405   2.117
  312    HE   ARG  40           HE       ARG  40  -5.280   5.239   4.524
  313   HH11  ARG  40          1HH1      ARG  40  -8.094   5.590   2.408
  314   HH12  ARG  40          2HH1      ARG  40  -8.989   4.363   3.160
  315   HH21  ARG  40          1HH2      ARG  40  -6.537   3.472   5.518
  316   HH22  ARG  40          2HH2      ARG  40  -8.073   3.114   4.884
  317    H    CYS  41           HN       CYS  41  -0.498   4.704   1.983
  318    HA   CYS  41           HA       CYS  41  -0.033   3.348  -0.488
  319    HB2  CYS  41          2HB       CYS  41   1.781   3.771   1.122
  320    HB3  CYS  41          1HB       CYS  41   0.960   2.792   2.322
  321    H    PHE  42           HN       PHE  42  -1.253   1.787  -1.253
  322    HA   PHE  42           HA       PHE  42  -2.727   0.110   0.624
  323    HB2  PHE  42          2HB       PHE  42  -3.388   1.078  -2.103
  324    HB3  PHE  42          1HB       PHE  42  -4.074  -0.428  -1.511
  325    HD1  PHE  42          1HD       PHE  42  -4.029   3.202  -1.111
  326    HD2  PHE  42          2HD       PHE  42  -5.625  -0.466   0.254
  327    HE1  PHE  42          1HE       PHE  42  -5.788   4.432   0.128
  328    HE2  PHE  42          2HE       PHE  42  -7.369   0.738   1.510
  329    HZ   PHE  42           HZ       PHE  42  -7.452   3.195   1.436
  330    H    CYS  43           HN       CYS  43  -2.091  -1.753   0.863
  331    HA   CYS  43           HA       CYS  43  -0.144  -3.016  -0.806
  332    HB2  CYS  43          2HB       CYS  43  -1.721  -4.103   1.531
  333    HB3  CYS  43          1HB       CYS  43  -0.231  -4.764   0.864
  334    H    THR  44           HN       THR  44  -0.662  -4.218  -2.490
  335    HA   THR  44           HA       THR  44  -3.452  -4.867  -2.935
  336    HB   THR  44           HB       THR  44  -1.094  -5.308  -4.777
  337    HG1  THR  44          1HG       THR  44  -1.970  -3.031  -3.893
  338   HG21  THR  44          1HG2      THR  44  -3.156  -6.539  -5.361
  339   HG22  THR  44          2HG2      THR  44  -2.827  -5.263  -6.535
  340   HG23  THR  44          3HG2      THR  44  -4.069  -5.030  -5.306
  341    H    THR  45           HN       THR  45  -4.079  -6.671  -1.992
  342    HA   THR  45           HA       THR  45  -2.248  -8.939  -1.927
  343    HB   THR  45           HB       THR  45  -2.897  -8.094   0.321
  344    HG1  THR  45          1HG       THR  45  -4.288 -10.340   0.606
  345   HG21  THR  45          1HG2      THR  45  -5.210  -8.326   1.131
  346   HG22  THR  45          2HG2      THR  45  -5.720  -8.816  -0.485
  347   HG23  THR  45          3HG2      THR  45  -5.115  -7.184  -0.212
  348    H    HIS  46           HN       HIS  46  -3.591 -11.051  -1.928
  349    HA   HIS  46           HA       HIS  46  -5.486 -10.767  -4.138
  350    HB2  HIS  46          2HB       HIS  46  -3.666 -13.095  -3.471
  351    HB3  HIS  46          1HB       HIS  46  -4.826 -13.062  -4.791
  352    HD1  HIS  46          1HD       HIS  46  -4.102 -11.844  -6.950
  353    HD2  HIS  46          2HD       HIS  46  -1.379 -11.497  -3.830
  354    HE1  HIS  46          1HE       HIS  46  -2.012 -10.854  -7.963
  355    H    CYS  47           HN       CYS  47  -7.499 -11.166  -3.599
  356    HA   CYS  47           HA       CYS  47  -8.029 -12.867  -1.343
  357    HB2  CYS  47          2HB       CYS  47  -9.955 -11.289  -3.073
  358    HB3  CYS  47          1HB       CYS  47 -10.420 -12.237  -1.669
  Start of MODEL    8
    1    H1   ARG   1          1HT       ARG   1  -8.634 -12.921  -7.480
    2    H2   ARG   1          2HT       ARG   1 -10.297 -12.831  -7.770
    3    H3   ARG   1          3HT       ARG   1  -9.678 -12.578  -6.218
    4    HA   ARG   1           HA       ARG   1  -8.994 -10.915  -8.577
    5    HB2  ARG   1          2HB       ARG   1 -10.446  -9.165  -7.642
    6    HB3  ARG   1          1HB       ARG   1 -11.382 -10.605  -8.009
    7    HG2  ARG   1          2HG       ARG   1 -11.427 -11.203  -5.652
    8    HG3  ARG   1          1HG       ARG   1 -10.378  -9.840  -5.281
    9    HD2  ARG   1          2HD       ARG   1 -12.074  -8.282  -6.000
   10    HD3  ARG   1          1HD       ARG   1 -13.116  -9.614  -6.502
   11    HE   ARG   1           HE       ARG   1 -13.286 -10.266  -4.208
   12   HH11  ARG   1          1HH1      ARG   1 -12.114  -6.923  -4.742
   13   HH12  ARG   1          2HH1      ARG   1 -12.512  -6.414  -3.187
   14   HH21  ARG   1          1HH2      ARG   1 -13.858  -9.505  -2.107
   15   HH22  ARG   1          2HH2      ARG   1 -13.546  -7.886  -1.651
   16    H    THR   2           HN       THR   2  -8.152  -8.709  -7.690
   17    HA   THR   2           HA       THR   2  -6.429  -9.306  -5.438
   18    HB   THR   2           HB       THR   2  -5.334  -7.098  -6.149
   19    HG1  THR   2          1HG       THR   2  -6.975  -6.264  -7.442
   20   HG21  THR   2          1HG2      THR   2  -4.111  -8.162  -8.004
   21   HG22  THR   2          2HG2      THR   2  -5.356  -9.407  -8.104
   22   HG23  THR   2          3HG2      THR   2  -4.348  -9.281  -6.663
   23    H    CYS   3           HN       CYS   3  -6.335  -7.918  -3.625
   24    HA   CYS   3           HA       CYS   3  -8.607  -6.102  -3.333
   25    HB2  CYS   3          2HB       CYS   3  -7.564  -8.214  -1.444
   26    HB3  CYS   3          1HB       CYS   3  -8.628  -6.898  -0.892
   27    H    GLN   4           HN       GLN   4  -8.164  -4.329  -1.999
   28    HA   GLN   4           HA       GLN   4  -5.320  -3.957  -1.469
   29    HB2  GLN   4          2HB       GLN   4  -7.401  -1.983  -2.318
   30    HB3  GLN   4          1HB       GLN   4  -5.892  -1.462  -1.605
   31    HG2  GLN   4          2HG       GLN   4  -4.701  -2.692  -3.403
   32    HG3  GLN   4          1HG       GLN   4  -6.267  -3.027  -4.142
   33   HE21  GLN   4          1HE2      GLN   4  -4.003  -1.535  -5.158
   34   HE22  GLN   4          2HE2      GLN   4  -4.604   0.037  -5.531
   35    H    SER   5           HN       SER   5  -4.740  -3.909   0.455
   36    HA   SER   5           HA       SER   5  -6.613  -3.059   2.512
   37    HB2  SER   5          2HB       SER   5  -4.477  -5.205   2.654
   38    HB3  SER   5          1HB       SER   5  -5.510  -4.702   3.994
   39    HG   SER   5           HG       SER   5  -7.263  -5.174   2.420
   40    H    GLN   6           HN       GLN   6  -5.906  -1.415   3.690
   41    HA   GLN   6           HA       GLN   6  -3.712   0.115   2.880
   42    HB2  GLN   6          2HB       GLN   6  -5.733   1.012   3.910
   43    HB3  GLN   6          1HB       GLN   6  -5.291   0.263   5.434
   44    HG2  GLN   6          2HG       GLN   6  -3.332   1.677   5.587
   45    HG3  GLN   6          1HG       GLN   6  -3.703   2.387   4.015
   46   HE21  GLN   6          1HE2      GLN   6  -4.615   2.201   7.346
   47   HE22  GLN   6          2HE2      GLN   6  -5.677   3.557   7.326
   48    H    SER   7           HN       SER   7  -1.672   0.343   3.579
   49    HA   SER   7           HA       SER   7  -0.529  -1.694   5.153
   50    HB2  SER   7          2HB       SER   7   0.687  -0.505   3.326
   51    HB3  SER   7          1HB       SER   7   0.680   0.955   4.318
   52    HG   SER   7           HG       SER   7   1.708  -1.526   5.152
   53    H    HIS   8           HN       HIS   8  -0.054  -1.709   7.249
   54    HA   HIS   8           HA       HIS   8  -1.501   0.231   8.857
   55    HB2  HIS   8          2HB       HIS   8  -1.685  -2.266   9.190
   56    HB3  HIS   8          1HB       HIS   8  -0.022  -2.247   9.740
   57    HD1  HIS   8          1HD       HIS   8   0.349  -1.745  12.227
   58    HD2  HIS   8          2HD       HIS   8  -3.485  -0.819  10.902
   59    HE1  HIS   8          1HE       HIS   8  -0.997  -1.215  14.289
   60    H    ARG   9           HN       ARG   9   1.739  -0.800   8.203
   61    HA   ARG   9           HA       ARG   9   2.744   1.012  10.295
   62    HB2  ARG   9          2HB       ARG   9   4.715  -0.358  10.415
   63    HB3  ARG   9          1HB       ARG   9   3.289  -1.374  10.543
   64    HG2  ARG   9          2HG       ARG   9   3.614  -1.783   8.031
   65    HG3  ARG   9          1HG       ARG   9   5.234  -1.131   8.291
   66    HD2  ARG   9          2HD       ARG   9   5.350  -3.510   8.492
   67    HD3  ARG   9          1HD       ARG   9   5.523  -2.826  10.118
   68    HE   ARG   9           HE       ARG   9   2.838  -3.501   9.339
   69   HH11  ARG   9          1HH1      ARG   9   5.784  -4.700  10.910
   70   HH12  ARG   9          2HH1      ARG   9   5.007  -5.975  11.729
   71   HH21  ARG   9          1HH2      ARG   9   1.769  -5.301  10.457
   72   HH22  ARG   9          2HH2      ARG   9   2.674  -6.323  11.463
   73    H    PHE  10           HN       PHE  10   2.051   1.538   7.353
   74    HA   PHE  10           HA       PHE  10   4.548   2.223   6.118
   75    HB2  PHE  10          2HB       PHE  10   2.583   1.709   4.754
   76    HB3  PHE  10          1HB       PHE  10   1.728   3.093   5.431
   77    HD1  PHE  10          1HD       PHE  10   1.974   5.214   4.481
   78    HD2  PHE  10          2HD       PHE  10   4.665   2.118   3.383
   79    HE1  PHE  10          1HE       PHE  10   2.900   6.641   2.718
   80    HE2  PHE  10          2HE       PHE  10   5.589   3.530   1.637
   81    HZ   PHE  10           HZ       PHE  10   4.714   5.802   1.290
   82    H    ARG  11           HN       ARG  11   5.470   4.215   5.795
   83    HA   ARG  11           HA       ARG  11   4.455   6.419   7.393
   84    HB2  ARG  11          2HB       ARG  11   6.683   6.906   8.233
   85    HB3  ARG  11          1HB       ARG  11   6.181   5.301   8.748
   86    HG2  ARG  11          2HG       ARG  11   7.588   4.261   7.145
   87    HG3  ARG  11          1HG       ARG  11   7.930   5.802   6.362
   88    HD2  ARG  11          2HD       ARG  11   8.979   6.569   8.434
   89    HD3  ARG  11          1HD       ARG  11   8.731   4.964   9.131
   90    HE   ARG  11           HE       ARG  11  10.014   4.382   6.881
   91   HH11  ARG  11          1HH1      ARG  11  10.780   6.742   9.392
   92   HH12  ARG  11          2HH1      ARG  11  12.460   6.643   9.164
   93   HH21  ARG  11          1HH2      ARG  11  12.330   4.266   6.536
   94   HH22  ARG  11          2HH2      ARG  11  13.368   5.219   7.490
   95    H    GLY  12           HN       GLY  12   5.040   8.435   6.512
   96    HA2  GLY  12          2HA       GLY  12   6.120   9.874   5.059
   97    HA3  GLY  12          1HA       GLY  12   6.782   8.483   4.209
   98    HA   PRO  13           HA       PRO  13   3.278   9.881   1.669
   99    HB2  PRO  13          2HB       PRO  13   4.672  10.530  -0.555
  100    HB3  PRO  13          1HB       PRO  13   4.423  11.661   0.775
  101    HG2  PRO  13          2HG       PRO  13   6.870  10.252  -0.040
  102    HG3  PRO  13          1HG       PRO  13   6.686  11.706   0.948
  103    HD2  PRO  13          2HD       PRO  13   7.152   8.998   1.843
  104    HD3  PRO  13          1HD       PRO  13   6.988  10.466   2.821
  105    H    CYS  14           HN       CYS  14   2.120   8.462   0.465
  106    HA   CYS  14           HA       CYS  14   3.132   5.924  -0.152
  107    HB2  CYS  14          2HB       CYS  14   0.779   6.255   0.266
  108    HB3  CYS  14          1HB       CYS  14   0.650   7.365  -1.086
  109    H    LEU  15           HN       LEU  15   3.309   8.862  -1.788
  110    HA   LEU  15           HA       LEU  15   3.409   8.250  -4.497
  111    HB2  LEU  15          2HB       LEU  15   5.127  10.213  -3.005
  112    HB3  LEU  15          1HB       LEU  15   4.966  10.151  -4.744
  113    HG   LEU  15           HG       LEU  15   2.817  10.871  -2.759
  114   HD11  LEU  15          1HD1      LEU  15   4.491  12.595  -3.073
  115   HD12  LEU  15          2HD1      LEU  15   2.979  13.078  -3.841
  116   HD13  LEU  15          3HD1      LEU  15   4.314  12.480  -4.820
  117   HD21  LEU  15          1HD2      LEU  15   1.445  11.374  -4.742
  118   HD22  LEU  15          2HD2      LEU  15   1.847   9.665  -4.646
  119   HD23  LEU  15          3HD2      LEU  15   2.712  10.712  -5.774
  120    H    ARG  16           HN       ARG  16   5.808   7.674  -2.027
  121    HA   ARG  16           HA       ARG  16   7.767   6.873  -3.969
  122    HB2  ARG  16          2HB       ARG  16   7.768   6.397  -0.982
  123    HB3  ARG  16          1HB       ARG  16   9.138   6.210  -2.064
  124    HG2  ARG  16          2HG       ARG  16   9.005   8.653  -2.532
  125    HG3  ARG  16          1HG       ARG  16   7.761   8.766  -1.283
  126    HD2  ARG  16          2HD       ARG  16   9.858   9.337  -0.282
  127    HD3  ARG  16          1HD       ARG  16   9.384   7.740   0.301
  128    HE   ARG  16           HE       ARG  16  11.064   7.740  -2.024
  129   HH11  ARG  16          1HH1      ARG  16  11.077   7.652   1.520
  130   HH12  ARG  16          2HH1      ARG  16  12.600   6.874   1.609
  131   HH21  ARG  16          1HH2      ARG  16  13.160   6.717  -1.856
  132   HH22  ARG  16          2HH2      ARG  16  13.793   6.369  -0.309
  133    H    ARG  17           HN       ARG  17   6.783   5.316  -5.110
  134    HA   ARG  17           HA       ARG  17   5.253   3.232  -4.042
  135    HB2  ARG  17          2HB       ARG  17   5.424   2.139  -6.248
  136    HB3  ARG  17          1HB       ARG  17   4.962   3.826  -6.356
  137    HG2  ARG  17          2HG       ARG  17   7.242   4.404  -7.022
  138    HG3  ARG  17          1HG       ARG  17   7.707   2.705  -6.891
  139    HD2  ARG  17          2HD       ARG  17   6.054   2.131  -8.614
  140    HD3  ARG  17          1HD       ARG  17   5.604   3.830  -8.736
  141    HE   ARG  17           HE       ARG  17   8.370   3.494  -9.138
  142   HH11  ARG  17          1HH1      ARG  17   5.261   3.115 -10.808
  143   HH12  ARG  17          2HH1      ARG  17   5.920   3.182 -12.372
  144   HH21  ARG  17          1HH2      ARG  17   9.285   3.599 -11.293
  145   HH22  ARG  17          2HH2      ARG  17   8.293   3.471 -12.657
  146    H    SER  18           HN       SER  18   8.694   3.511  -4.449
  147    HA   SER  18           HA       SER  18   9.332   0.799  -4.098
  148    HB2  SER  18          2HB       SER  18  10.904   3.251  -3.241
  149    HB3  SER  18          1HB       SER  18  11.557   1.627  -3.465
  150    HG   SER  18           HG       SER  18  11.028   1.758  -5.643
  151    H    ASN  19           HN       ASN  19   8.810   3.448  -1.853
  152    HA   ASN  19           HA       ASN  19   9.451   2.057   0.535
  153    HB2  ASN  19          2HB       ASN  19   9.443   4.564   0.270
  154    HB3  ASN  19          1HB       ASN  19   7.689   4.485   0.165
  155   HD21  ASN  19          1HD2      ASN  19   7.475   5.837   1.933
  156   HD22  ASN  19          2HD2      ASN  19   7.728   5.309   3.535
  157    H    CYS  20           HN       CYS  20   6.384   2.957  -1.008
  158    HA   CYS  20           HA       CYS  20   4.612   1.796   0.803
  159    HB2  CYS  20          2HB       CYS  20   3.865   3.349  -0.931
  160    HB3  CYS  20          1HB       CYS  20   4.316   2.210  -2.186
  161    H    ALA  21           HN       ALA  21   5.939   0.329  -2.187
  162    HA   ALA  21           HA       ALA  21   4.637  -2.129  -1.822
  163    HB1  ALA  21          1HB       ALA  21   7.167  -1.580  -3.362
  164    HB2  ALA  21          2HB       ALA  21   5.528  -1.409  -3.991
  165    HB3  ALA  21          3HB       ALA  21   6.136  -3.000  -3.528
  166    H    ASN  22           HN       ASN  22   7.836  -0.990  -0.784
  167    HA   ASN  22           HA       ASN  22   8.594  -3.551   0.155
  168    HB2  ASN  22          2HB       ASN  22   9.778  -0.842   0.630
  169    HB3  ASN  22          1HB       ASN  22  10.384  -2.265   1.468
  170   HD21  ASN  22          1HD2      ASN  22  11.628  -0.520  -0.470
  171   HD22  ASN  22          2HD2      ASN  22  12.163  -1.505  -1.772
  172    H    VAL  23           HN       VAL  23   6.999  -0.843   1.749
  173    HA   VAL  23           HA       VAL  23   7.205  -2.027   4.309
  174    HB   VAL  23           HB       VAL  23   5.131  -0.038   3.300
  175   HG11  VAL  23          1HG1      VAL  23   4.331  -1.341   5.243
  176   HG12  VAL  23          2HG1      VAL  23   4.589   0.348   5.645
  177   HG13  VAL  23          3HG1      VAL  23   5.775  -0.867   6.136
  178   HG21  VAL  23          1HG2      VAL  23   7.416   0.832   3.303
  179   HG22  VAL  23          2HG2      VAL  23   7.614   0.332   4.981
  180   HG23  VAL  23          3HG2      VAL  23   6.461   1.600   4.572
  181    H    CYS  24           HN       CYS  24   4.669  -2.134   1.832
  182    HA   CYS  24           HA       CYS  24   2.962  -3.908   3.124
  183    HB2  CYS  24          2HB       CYS  24   3.552  -3.485   0.202
  184    HB3  CYS  24          1HB       CYS  24   2.260  -4.539   0.755
  185    H    ARG  25           HN       ARG  25   5.764  -4.518   1.122
  186    HA   ARG  25           HA       ARG  25   5.847  -7.284   0.988
  187    HB2  ARG  25          2HB       ARG  25   7.315  -5.848  -0.251
  188    HB3  ARG  25          1HB       ARG  25   7.958  -5.174   1.227
  189    HG2  ARG  25          2HG       ARG  25   9.053  -7.303   1.705
  190    HG3  ARG  25          1HG       ARG  25   8.442  -7.952   0.175
  191    HD2  ARG  25          2HD       ARG  25   9.582  -6.211  -1.059
  192    HD3  ARG  25          1HD       ARG  25  10.117  -5.465   0.440
  193    HE   ARG  25           HE       ARG  25  10.951  -8.179   0.108
  194   HH11  ARG  25          1HH1      ARG  25  11.736  -4.805  -0.634
  195   HH12  ARG  25          2HH1      ARG  25  13.416  -5.061  -0.738
  196   HH21  ARG  25          1HH2      ARG  25  13.259  -8.549  -0.069
  197   HH22  ARG  25          2HH2      ARG  25  14.303  -7.262  -0.432
  198    H    THR  26           HN       THR  26   7.116  -5.094   3.542
  199    HA   THR  26           HA       THR  26   8.174  -7.026   5.184
  200    HB   THR  26           HB       THR  26   7.198  -4.218   5.719
  201    HG1  THR  26          1HG       THR  26   8.693  -4.016   4.128
  202   HG21  THR  26          1HG2      THR  26   8.932  -4.240   7.413
  203   HG22  THR  26          2HG2      THR  26   9.236  -5.954   7.016
  204   HG23  THR  26          3HG2      THR  26   7.663  -5.450   7.680
  205    H    GLU  27           HN       GLU  27   4.921  -5.641   4.831
  206    HA   GLU  27           HA       GLU  27   3.990  -6.872   7.274
  207    HB2  GLU  27          2HB       GLU  27   2.322  -5.596   5.097
  208    HB3  GLU  27          1HB       GLU  27   1.785  -6.010   6.722
  209    HG2  GLU  27          2HG       GLU  27   3.583  -4.404   7.517
  210    HG3  GLU  27          1HG       GLU  27   3.641  -3.840   5.849
  211    H    GLY  28           HN       GLY  28   4.747  -8.141   4.375
  212    HA2  GLY  28          2HA       GLY  28   4.536 -10.455   3.949
  213    HA3  GLY  28          1HA       GLY  28   3.074 -10.476   4.919
  214    H    PHE  29           HN       PHE  29   3.360  -7.974   2.589
  215    HA   PHE  29           HA       PHE  29   1.437  -9.391   0.903
  216    HB2  PHE  29          2HB       PHE  29   1.860  -6.437   1.370
  217    HB3  PHE  29          1HB       PHE  29   0.762  -7.078   0.150
  218    HD1  PHE  29          1HD       PHE  29  -1.061  -8.665   0.989
  219    HD2  PHE  29          2HD       PHE  29   1.111  -6.041   3.518
  220    HE1  PHE  29          1HE       PHE  29  -2.837  -8.818   2.641
  221    HE2  PHE  29          2HE       PHE  29  -0.667  -6.182   5.204
  222    HZ   PHE  29           HZ       PHE  29  -2.660  -7.570   4.776
  223    HA   PRO  30           HA       PRO  30   4.288  -9.197  -2.547
  224    HB2  PRO  30          2HB       PRO  30   2.149  -8.134  -4.286
  225    HB3  PRO  30          1HB       PRO  30   3.055  -9.643  -4.421
  226    HG2  PRO  30          2HG       PRO  30   0.488  -9.626  -3.671
  227    HG3  PRO  30          1HG       PRO  30   1.653 -10.769  -2.984
  228    HD2  PRO  30          2HD       PRO  30   0.544  -8.253  -1.800
  229    HD3  PRO  30          1HD       PRO  30   0.854  -9.814  -1.024
  230    H    GLY  31           HN       GLY  31   2.077  -6.384  -2.450
  231    HA2  GLY  31          2HA       GLY  31   4.170  -4.508  -2.359
  232    HA3  GLY  31          1HA       GLY  31   3.557  -4.636  -4.005
  233    H    GLY  32           HN       GLY  32   2.998  -2.290  -3.466
  234    HA2  GLY  32          2HA       GLY  32   0.277  -2.242  -2.516
  235    HA3  GLY  32          1HA       GLY  32   1.443  -1.257  -1.633
  236    H    ARG  33           HN       ARG  33  -0.687  -0.125  -2.834
  237    HA   ARG  33           HA       ARG  33   0.600   1.575  -4.788
  238    HB2  ARG  33          2HB       ARG  33  -0.604  -0.232  -6.073
  239    HB3  ARG  33          1HB       ARG  33  -2.100   0.305  -5.313
  240    HG2  ARG  33          2HG       ARG  33  -1.932   1.180  -7.569
  241    HG3  ARG  33          1HG       ARG  33  -1.839   2.495  -6.391
  242    HD2  ARG  33          2HD       ARG  33   0.627   2.420  -6.573
  243    HD3  ARG  33          1HD       ARG  33   0.461   1.196  -7.831
  244    HE   ARG  33           HE       ARG  33  -1.029   3.364  -8.642
  245   HH11  ARG  33          1HH1      ARG  33   2.371   2.711  -7.839
  246   HH12  ARG  33          2HH1      ARG  33   2.971   3.893  -8.909
  247   HH21  ARG  33          1HH2      ARG  33  -0.169   4.991 -10.086
  248   HH22  ARG  33          2HH2      ARG  33   1.513   5.217 -10.208
  249    H    CYS  34           HN       CYS  34  -0.606   3.584  -5.003
  250    HA   CYS  34           HA       CYS  34  -1.851   4.406  -2.533
  251    HB2  CYS  34          2HB       CYS  34  -1.375   5.957  -5.077
  252    HB3  CYS  34          1HB       CYS  34  -1.772   6.627  -3.497
  253    H    ARG  35           HN       ARG  35  -3.967   4.309  -2.241
  254    HA   ARG  35           HA       ARG  35  -5.689   3.877  -4.539
  255    HB2  ARG  35          2HB       ARG  35  -5.972   2.481  -2.528
  256    HB3  ARG  35          1HB       ARG  35  -6.376   3.910  -1.597
  257    HG2  ARG  35          2HG       ARG  35  -8.378   2.692  -2.156
  258    HG3  ARG  35          1HG       ARG  35  -8.363   4.240  -3.003
  259    HD2  ARG  35          2HD       ARG  35  -7.633   3.158  -5.039
  260    HD3  ARG  35          1HD       ARG  35  -7.509   1.613  -4.200
  261    HE   ARG  35           HE       ARG  35 -10.044   3.054  -4.560
  262   HH11  ARG  35          1HH1      ARG  35  -8.162   0.046  -4.652
  263   HH12  ARG  35          2HH1      ARG  35  -9.475  -0.933  -5.094
  264   HH21  ARG  35          1HH2      ARG  35 -11.853   1.704  -5.178
  265   HH22  ARG  35          2HH2      ARG  35 -11.631   0.033  -5.421
  266    H    GLY  36           HN       GLY  36  -6.208   5.901  -1.642
  267    HA2  GLY  36          2HA       GLY  36  -7.839   7.706  -3.138
  268    HA3  GLY  36          1HA       GLY  36  -7.415   7.833  -1.442
  269    H    PHE  37           HN       PHE  37  -7.594  10.005  -2.975
  270    HA   PHE  37           HA       PHE  37  -5.225  10.904  -4.243
  271    HB2  PHE  37          2HB       PHE  37  -7.528  11.783  -4.632
  272    HB3  PHE  37          1HB       PHE  37  -7.483  12.526  -3.042
  273    HD1  PHE  37          1HD       PHE  37  -6.067  12.561  -6.433
  274    HD2  PHE  37          2HD       PHE  37  -6.380  14.612  -2.718
  275    HE1  PHE  37          1HE       PHE  37  -5.133  14.576  -7.470
  276    HE2  PHE  37          2HE       PHE  37  -5.444  16.625  -3.748
  277    HZ   PHE  37           HZ       PHE  37  -4.818  16.611  -6.133
  278    H    ARG  38           HN       ARG  38  -6.191  10.699  -0.969
  279    HA   ARG  38           HA       ARG  38  -4.305  12.620   0.045
  280    HB2  ARG  38          2HB       ARG  38  -6.066  10.585   1.405
  281    HB3  ARG  38          1HB       ARG  38  -4.919  11.582   2.290
  282    HG2  ARG  38          2HG       ARG  38  -6.021  13.592   1.549
  283    HG3  ARG  38          1HG       ARG  38  -7.115  12.651   0.542
  284    HD2  ARG  38          2HD       ARG  38  -6.929  12.374   3.530
  285    HD3  ARG  38          1HD       ARG  38  -8.049  13.460   2.729
  286    HE   ARG  38           HE       ARG  38  -8.392  10.966   1.609
  287   HH11  ARG  38          1HH1      ARG  38  -8.770  12.440   4.812
  288   HH12  ARG  38          2HH1      ARG  38 -10.121  11.514   5.258
  289   HH21  ARG  38          1HH2      ARG  38 -10.331   9.680   2.218
  290   HH22  ARG  38          2HH2      ARG  38 -11.047   9.967   3.722
  291    H    ARG  39           HN       ARG  39  -3.856   9.866  -1.393
  292    HA   ARG  39           HA       ARG  39  -2.165   8.450  -1.732
  293    HB2  ARG  39          2HB       ARG  39  -0.421  10.375  -0.232
  294    HB3  ARG  39          1HB       ARG  39   0.068   9.250  -1.484
  295    HG2  ARG  39          2HG       ARG  39  -1.619  11.709  -1.827
  296    HG3  ARG  39          1HG       ARG  39   0.060  11.484  -2.313
  297    HD2  ARG  39          2HD       ARG  39  -0.612   9.820  -3.945
  298    HD3  ARG  39          1HD       ARG  39  -2.293   9.947  -3.409
  299    HE   ARG  39           HE       ARG  39  -1.221  12.452  -4.098
  300   HH11  ARG  39          1HH1      ARG  39  -2.511   9.502  -5.650
  301   HH12  ARG  39          2HH1      ARG  39  -3.126  10.355  -6.988
  302   HH21  ARG  39          1HH2      ARG  39  -2.108  13.562  -5.951
  303   HH22  ARG  39          2HH2      ARG  39  -2.903  12.660  -7.160
  304    H    ARG  40           HN       ARG  40  -3.156   6.976  -0.300
  305    HA   ARG  40           HA       ARG  40  -1.449   6.511   2.003
  306    HB2  ARG  40          2HB       ARG  40  -4.332   5.611   1.740
  307    HB3  ARG  40          1HB       ARG  40  -3.291   5.307   3.124
  308    HG2  ARG  40          2HG       ARG  40  -3.143   7.858   3.320
  309    HG3  ARG  40          1HG       ARG  40  -4.509   7.892   2.210
  310    HD2  ARG  40          2HD       ARG  40  -4.385   6.616   4.934
  311    HD3  ARG  40          1HD       ARG  40  -5.326   8.024   4.488
  312    HE   ARG  40           HE       ARG  40  -5.851   5.237   3.926
  313   HH11  ARG  40          1HH1      ARG  40  -6.979   8.588   3.479
  314   HH12  ARG  40          2HH1      ARG  40  -8.607   8.118   3.232
  315   HH21  ARG  40          1HH2      ARG  40  -8.102   4.672   3.642
  316   HH22  ARG  40          2HH2      ARG  40  -9.246   5.883   3.310
  317    H    CYS  41           HN       CYS  41  -0.604   4.532   2.198
  318    HA   CYS  41           HA       CYS  41  -0.313   3.122  -0.269
  319    HB2  CYS  41          2HB       CYS  41   1.617   3.573   1.162
  320    HB3  CYS  41          1HB       CYS  41   0.886   2.645   2.462
  321    H    PHE  42           HN       PHE  42  -1.699   1.664  -0.887
  322    HA   PHE  42           HA       PHE  42  -2.903  -0.076   1.119
  323    HB2  PHE  42          2HB       PHE  42  -3.899   0.837  -1.552
  324    HB3  PHE  42          1HB       PHE  42  -4.490  -0.618  -0.763
  325    HD1  PHE  42          1HD       PHE  42  -6.301  -0.494   0.629
  326    HD2  PHE  42          2HD       PHE  42  -4.037   3.027  -0.096
  327    HE1  PHE  42          1HE       PHE  42  -7.945   0.821   1.900
  328    HE2  PHE  42          2HE       PHE  42  -5.703   4.346   1.173
  329    HZ   PHE  42           HZ       PHE  42  -7.642   3.235   2.164
  330    H    CYS  43           HN       CYS  43  -2.091  -1.901   1.222
  331    HA   CYS  43           HA       CYS  43  -0.268  -2.983  -0.653
  332    HB2  CYS  43          2HB       CYS  43  -1.625  -4.257   1.717
  333    HB3  CYS  43          1HB       CYS  43  -0.159  -4.819   0.916
  334    H    THR  44           HN       THR  44  -0.689  -4.385  -2.227
  335    HA   THR  44           HA       THR  44  -3.468  -5.067  -2.695
  336    HB   THR  44           HB       THR  44  -1.052  -5.464  -4.486
  337    HG1  THR  44          1HG       THR  44  -2.054  -3.256  -3.712
  338   HG21  THR  44          1HG2      THR  44  -2.740  -5.665  -6.270
  339   HG22  THR  44          2HG2      THR  44  -4.026  -5.455  -5.085
  340   HG23  THR  44          3HG2      THR  44  -3.008  -6.894  -5.033
  341    H    THR  45           HN       THR  45  -4.151  -6.893  -1.931
  342    HA   THR  45           HA       THR  45  -2.273  -9.091  -1.550
  343    HB   THR  45           HB       THR  45  -3.222  -8.220   0.553
  344    HG1  THR  45          1HG       THR  45  -2.809 -10.405   0.492
  345   HG21  THR  45          1HG2      THR  45  -5.356  -7.354  -0.288
  346   HG22  THR  45          2HG2      THR  45  -5.599  -8.440   1.081
  347   HG23  THR  45          3HG2      THR  45  -5.908  -9.010  -0.560
  348    H    HIS  46           HN       HIS  46  -3.314 -11.222  -1.800
  349    HA   HIS  46           HA       HIS  46  -4.876 -11.203  -4.269
  350    HB2  HIS  46          2HB       HIS  46  -3.464 -13.510  -2.903
  351    HB3  HIS  46          1HB       HIS  46  -4.291 -13.591  -4.447
  352    HD1  HIS  46          1HD       HIS  46  -0.993 -13.523  -3.239
  353    HD2  HIS  46          2HD       HIS  46  -2.993 -11.460  -6.246
  354    HE1  HIS  46          1HE       HIS  46   0.785 -12.715  -4.798
  355    H    CYS  47           HN       CYS  47  -7.000 -11.484  -4.159
  356    HA   CYS  47           HA       CYS  47  -8.014 -12.932  -1.895
  357    HB2  CYS  47          2HB       CYS  47  -9.293 -10.887  -3.675
  358    HB3  CYS  47          1HB       CYS  47 -10.250 -11.916  -2.622
  Start of MODEL    9
    1    H1   ARG   1          1HT       ARG   1 -11.534 -10.694  -8.221
    2    H2   ARG   1          2HT       ARG   1 -10.869  -9.167  -8.007
    3    H3   ARG   1          3HT       ARG   1 -10.806 -10.298  -6.758
    4    HA   ARG   1           HA       ARG   1  -9.402 -11.725  -7.980
    5    HB2  ARG   1          2HB       ARG   1 -10.225 -11.121 -10.221
    6    HB3  ARG   1          1HB       ARG   1  -9.466  -9.546 -10.077
    7    HG2  ARG   1          2HG       ARG   1  -7.272 -10.577 -10.051
    8    HG3  ARG   1          1HG       ARG   1  -8.006 -12.181 -10.102
    9    HD2  ARG   1          2HD       ARG   1  -7.232 -11.496 -12.311
   10    HD3  ARG   1          1HD       ARG   1  -8.986 -11.671 -12.279
   11    HE   ARG   1           HE       ARG   1  -8.240  -8.999 -11.740
   12   HH11  ARG   1          1HH1      ARG   1  -8.538 -11.276 -14.443
   13   HH12  ARG   1          2HH1      ARG   1  -8.724 -10.037 -15.613
   14   HH21  ARG   1          1HH2      ARG   1  -8.498  -7.346 -13.345
   15   HH22  ARG   1          2HH2      ARG   1  -8.703  -7.781 -14.978
   16    H    THR   2           HN       THR   2  -9.303  -8.180  -7.616
   17    HA   THR   2           HA       THR   2  -6.629  -8.495  -6.481
   18    HB   THR   2           HB       THR   2  -7.754  -5.983  -7.607
   19    HG1  THR   2          1HG       THR   2  -6.034  -7.773  -9.012
   20   HG21  THR   2          1HG2      THR   2  -4.925  -6.978  -7.234
   21   HG22  THR   2          2HG2      THR   2  -5.760  -5.788  -6.239
   22   HG23  THR   2          3HG2      THR   2  -5.360  -5.411  -7.915
   23    H    CYS   3           HN       CYS   3  -6.361  -7.393  -4.580
   24    HA   CYS   3           HA       CYS   3  -8.619  -5.954  -3.429
   25    HB2  CYS   3          2HB       CYS   3  -7.043  -8.121  -2.014
   26    HB3  CYS   3          1HB       CYS   3  -8.296  -7.126  -1.284
   27    H    GLN   4           HN       GLN   4  -7.929  -4.316  -2.019
   28    HA   GLN   4           HA       GLN   4  -5.080  -4.106  -1.576
   29    HB2  GLN   4          2HB       GLN   4  -6.788  -1.981  -2.867
   30    HB3  GLN   4          1HB       GLN   4  -5.254  -1.631  -2.087
   31    HG2  GLN   4          2HG       GLN   4  -4.107  -3.117  -3.623
   32    HG3  GLN   4          1HG       GLN   4  -5.636  -3.513  -4.402
   33   HE21  GLN   4          1HE2      GLN   4  -3.180  -2.349  -5.436
   34   HE22  GLN   4          2HE2      GLN   4  -3.675  -0.881  -6.199
   35    H    SER   5           HN       SER   5  -4.559  -3.479   0.338
   36    HA   SER   5           HA       SER   5  -6.582  -2.270   2.094
   37    HB2  SER   5          2HB       SER   5  -6.226  -4.751   2.513
   38    HB3  SER   5          1HB       SER   5  -4.543  -4.390   2.856
   39    HG   SER   5           HG       SER   5  -5.119  -3.918   4.792
   40    H    GLN   6           HN       GLN   6  -5.652  -0.592   3.347
   41    HA   GLN   6           HA       GLN   6  -3.103   0.253   2.351
   42    HB2  GLN   6          2HB       GLN   6  -3.343   2.253   3.662
   43    HB3  GLN   6          1HB       GLN   6  -4.824   1.935   2.782
   44    HG2  GLN   6          2HG       GLN   6  -5.902   1.176   4.787
   45    HG3  GLN   6          1HG       GLN   6  -4.388   1.317   5.690
   46   HE21  GLN   6          1HE2      GLN   6  -7.019   3.050   4.234
   47   HE22  GLN   6          2HE2      GLN   6  -6.614   4.573   4.919
   48    H    SER   7           HN       SER   7  -1.266   0.525   3.388
   49    HA   SER   7           HA       SER   7  -0.571  -1.386   5.323
   50    HB2  SER   7          2HB       SER   7   1.026  -0.562   3.681
   51    HB3  SER   7          1HB       SER   7   0.853   1.078   4.301
   52    HG   SER   7           HG       SER   7   1.735  -1.103   5.880
   53    H    HIS   8           HN       HIS   8  -0.017  -1.057   7.475
   54    HA   HIS   8           HA       HIS   8  -1.574   1.097   8.738
   55    HB2  HIS   8          2HB       HIS   8  -2.088  -1.215   9.410
   56    HB3  HIS   8          1HB       HIS   8  -0.422  -1.450   9.906
   57    HD1  HIS   8          1HD       HIS   8  -3.604   0.334  10.973
   58    HD2  HIS   8          2HD       HIS   8   0.189  -0.559  12.433
   59    HE1  HIS   8          1HE       HIS   8  -3.649   0.899  13.410
   60    H    ARG   9           HN       ARG   9   1.610   0.106   8.163
   61    HA   ARG   9           HA       ARG   9   2.598   1.983  10.197
   62    HB2  ARG   9          2HB       ARG   9   4.429   0.403  10.661
   63    HB3  ARG   9          1HB       ARG   9   2.852  -0.287  11.008
   64    HG2  ARG   9          2HG       ARG   9   3.057  -1.277   8.610
   65    HG3  ARG   9          1HG       ARG   9   4.780  -0.970   8.836
   66    HD2  ARG   9          2HD       ARG   9   4.337  -3.204   9.510
   67    HD3  ARG   9          1HD       ARG   9   4.624  -2.272  10.995
   68    HE   ARG   9           HE       ARG   9   1.967  -3.027   9.946
   69   HH11  ARG   9          1HH1      ARG   9   4.073  -2.472  12.762
   70   HH12  ARG   9          2HH1      ARG   9   2.958  -3.105  13.874
   71   HH21  ARG   9          1HH2      ARG   9   0.454  -3.903  11.517
   72   HH22  ARG   9          2HH2      ARG   9   0.877  -3.943  13.164
   73    H    PHE  10           HN       PHE  10   2.089   2.428   7.450
   74    HA   PHE  10           HA       PHE  10   4.563   2.280   6.019
   75    HB2  PHE  10          2HB       PHE  10   2.472   2.026   4.836
   76    HB3  PHE  10          1HB       PHE  10   1.964   3.650   5.308
   77    HD1  PHE  10          1HD       PHE  10   4.841   1.959   3.707
   78    HD2  PHE  10          2HD       PHE  10   2.244   5.272   3.757
   79    HE1  PHE  10          1HE       PHE  10   5.985   2.849   1.767
   80    HE2  PHE  10          2HE       PHE  10   3.367   6.187   1.779
   81    HZ   PHE  10           HZ       PHE  10   5.252   4.977   0.772
   82    H    ARG  11           HN       ARG  11   5.752   3.976   5.216
   83    HA   ARG  11           HA       ARG  11   5.947   6.250   7.053
   84    HB2  ARG  11          2HB       ARG  11   7.978   4.883   5.288
   85    HB3  ARG  11          1HB       ARG  11   8.293   6.324   6.242
   86    HG2  ARG  11          2HG       ARG  11   8.000   5.123   8.284
   87    HG3  ARG  11          1HG       ARG  11   7.394   3.713   7.406
   88    HD2  ARG  11          2HD       ARG  11  10.145   4.807   6.910
   89    HD3  ARG  11          1HD       ARG  11   9.843   3.661   8.209
   90    HE   ARG  11           HE       ARG  11   9.160   2.056   6.593
   91   HH11  ARG  11          1HH1      ARG  11  10.759   4.881   5.137
   92   HH12  ARG  11          2HH1      ARG  11  11.301   4.057   3.768
   93   HH21  ARG  11          1HH2      ARG  11   9.943   0.895   4.698
   94   HH22  ARG  11          2HH2      ARG  11  10.836   1.723   3.524
   95    H    GLY  12           HN       GLY  12   5.057   8.046   6.135
   96    HA2  GLY  12          2HA       GLY  12   5.060   9.857   4.698
   97    HA3  GLY  12          1HA       GLY  12   6.085   8.952   3.599
   98    HA   PRO  13           HA       PRO  13   1.938   8.791   1.668
   99    HB2  PRO  13          2HB       PRO  13   2.454  10.134  -0.577
  100    HB3  PRO  13          1HB       PRO  13   2.098  10.985   0.928
  101    HG2  PRO  13          2HG       PRO  13   4.708  10.584  -0.447
  102    HG3  PRO  13          1HG       PRO  13   4.152  11.953   0.526
  103    HD2  PRO  13          2HD       PRO  13   5.823   9.850   1.393
  104    HD3  PRO  13          1HD       PRO  13   5.021  11.048   2.424
  105    H    CYS  14           HN       CYS  14   1.320   7.619  -0.269
  106    HA   CYS  14           HA       CYS  14   2.866   5.311  -0.769
  107    HB2  CYS  14          2HB       CYS  14   1.126   4.748  -2.392
  108    HB3  CYS  14          1HB       CYS  14   0.446   5.337  -0.873
  109    H    LEU  15           HN       LEU  15   3.235   8.331  -2.120
  110    HA   LEU  15           HA       LEU  15   3.680   7.727  -4.835
  111    HB2  LEU  15          2HB       LEU  15   4.544  10.091  -3.189
  112    HB3  LEU  15          1HB       LEU  15   4.908   9.948  -4.893
  113    HG   LEU  15           HG       LEU  15   3.037  11.386  -4.646
  114   HD11  LEU  15          1HD1      LEU  15   1.351  10.295  -5.990
  115   HD12  LEU  15          2HD1      LEU  15   2.049   8.725  -5.623
  116   HD13  LEU  15          3HD1      LEU  15   2.975   9.904  -6.556
  117   HD21  LEU  15          1HD2      LEU  15   2.222  10.781  -2.474
  118   HD22  LEU  15          2HD2      LEU  15   1.742   9.185  -3.045
  119   HD23  LEU  15          3HD2      LEU  15   0.890  10.615  -3.618
  120    H    ARG  16           HN       ARG  16   5.626   7.140  -2.146
  121    HA   ARG  16           HA       ARG  16   7.912   6.767  -3.909
  122    HB2  ARG  16          2HB       ARG  16   7.751   6.488  -0.901
  123    HB3  ARG  16          1HB       ARG  16   9.216   6.349  -1.853
  124    HG2  ARG  16          2HG       ARG  16   7.554   8.855  -1.555
  125    HG3  ARG  16          1HG       ARG  16   9.049   8.514  -0.698
  126    HD2  ARG  16          2HD       ARG  16   9.541  10.012  -2.499
  127    HD3  ARG  16          1HD       ARG  16  10.219   8.444  -2.923
  128    HE   ARG  16           HE       ARG  16   7.766   8.452  -4.119
  129   HH11  ARG  16          1HH1      ARG  16  10.420  10.768  -4.261
  130   HH12  ARG  16          2HH1      ARG  16  10.135  11.168  -5.894
  131   HH21  ARG  16          1HH2      ARG  16   7.359   9.040  -6.328
  132   HH22  ARG  16          2HH2      ARG  16   8.393  10.188  -7.066
  133    H    ARG  17           HN       ARG  17   7.496   5.076  -5.037
  134    HA   ARG  17           HA       ARG  17   5.760   3.037  -4.205
  135    HB2  ARG  17          2HB       ARG  17   6.264   1.901  -6.297
  136    HB3  ARG  17          1HB       ARG  17   5.913   3.600  -6.529
  137    HG2  ARG  17          2HG       ARG  17   8.313   4.055  -6.774
  138    HG3  ARG  17          1HG       ARG  17   8.649   2.334  -6.567
  139    HD2  ARG  17          2HD       ARG  17   8.607   2.933  -8.932
  140    HD3  ARG  17          1HD       ARG  17   7.281   1.839  -8.526
  141    HE   ARG  17           HE       ARG  17   6.739   4.684  -8.482
  142   HH11  ARG  17          1HH1      ARG  17   6.359   1.616 -10.228
  143   HH12  ARG  17          2HH1      ARG  17   5.105   2.191 -11.221
  144   HH21  ARG  17          1HH2      ARG  17   4.995   5.449  -9.839
  145   HH22  ARG  17          2HH2      ARG  17   4.322   4.410 -10.999
  146    H    SER  18           HN       SER  18   9.280   3.135  -4.172
  147    HA   SER  18           HA       SER  18   9.419   0.351  -3.624
  148    HB2  SER  18          2HB       SER  18  11.535   2.494  -3.340
  149    HB3  SER  18          1HB       SER  18  11.809   0.750  -3.298
  150    HG   SER  18           HG       SER  18  10.518   0.959  -5.415
  151    H    ASN  19           HN       ASN  19   9.102   3.247  -1.739
  152    HA   ASN  19           HA       ASN  19   9.613   1.984   0.791
  153    HB2  ASN  19          2HB       ASN  19   8.156   4.536   0.057
  154    HB3  ASN  19          1HB       ASN  19   8.182   3.940   1.707
  155   HD21  ASN  19          1HD2      ASN  19   9.255   5.831   2.387
  156   HD22  ASN  19          2HD2      ASN  19  10.918   6.079   2.045
  157    H    CYS  20           HN       CYS  20   6.820   2.682  -1.174
  158    HA   CYS  20           HA       CYS  20   4.812   1.718   0.528
  159    HB2  CYS  20          2HB       CYS  20   4.543   3.140  -1.566
  160    HB3  CYS  20          1HB       CYS  20   4.806   1.684  -2.506
  161    H    ALA  21           HN       ALA  21   6.561   0.088  -2.126
  162    HA   ALA  21           HA       ALA  21   5.414  -2.428  -1.749
  163    HB1  ALA  21          1HB       ALA  21   8.148  -1.767  -2.841
  164    HB2  ALA  21          2HB       ALA  21   6.652  -1.788  -3.773
  165    HB3  ALA  21          3HB       ALA  21   7.276  -3.282  -3.072
  166    H    ASN  22           HN       ASN  22   8.335  -0.965  -0.362
  167    HA   ASN  22           HA       ASN  22   9.332  -3.197   0.973
  168    HB2  ASN  22          2HB       ASN  22  10.692  -1.244   0.672
  169    HB3  ASN  22          1HB       ASN  22   9.586  -0.265   1.619
  170   HD21  ASN  22          1HD2      ASN  22  12.030  -2.758   1.741
  171   HD22  ASN  22          2HD2      ASN  22  12.424  -2.523   3.405
  172    H    VAL  23           HN       VAL  23   7.075  -0.736   2.222
  173    HA   VAL  23           HA       VAL  23   7.032  -2.061   4.747
  174    HB   VAL  23           HB       VAL  23   5.061   0.008   3.758
  175   HG11  VAL  23          1HG1      VAL  23   4.272  -1.305   5.678
  176   HG12  VAL  23          2HG1      VAL  23   4.598   0.353   6.160
  177   HG13  VAL  23          3HG1      VAL  23   5.750  -0.922   6.554
  178   HG21  VAL  23          1HG2      VAL  23   7.602   0.333   5.355
  179   HG22  VAL  23          2HG2      VAL  23   6.442   1.619   5.052
  180   HG23  VAL  23          3HG2      VAL  23   7.329   0.897   3.709
  181    H    CYS  24           HN       CYS  24   4.864  -2.026   1.938
  182    HA   CYS  24           HA       CYS  24   2.965  -3.741   3.021
  183    HB2  CYS  24          2HB       CYS  24   3.906  -3.369   0.176
  184    HB3  CYS  24          1HB       CYS  24   2.563  -4.428   0.579
  185    H    ARG  25           HN       ARG  25   6.047  -4.422   1.466
  186    HA   ARG  25           HA       ARG  25   5.967  -7.199   1.479
  187    HB2  ARG  25          2HB       ARG  25   7.695  -5.915   0.305
  188    HB3  ARG  25          1HB       ARG  25   8.303  -5.315   1.829
  189    HG2  ARG  25          2HG       ARG  25   9.753  -7.032   0.944
  190    HG3  ARG  25          1HG       ARG  25   9.004  -7.558   2.451
  191    HD2  ARG  25          2HD       ARG  25   7.381  -8.869   1.169
  192    HD3  ARG  25          1HD       ARG  25   8.152  -8.340  -0.329
  193    HE   ARG  25           HE       ARG  25  10.203  -9.375   0.972
  194   HH11  ARG  25          1HH1      ARG  25   6.959 -10.698   0.352
  195   HH12  ARG  25          2HH1      ARG  25   7.445 -12.316   0.414
  196   HH21  ARG  25          1HH2      ARG  25  10.870 -11.611   1.045
  197   HH22  ARG  25          2HH2      ARG  25   9.729 -12.853   0.793
  198    H    THR  26           HN       THR  26   7.068  -4.931   4.011
  199    HA   THR  26           HA       THR  26   7.742  -6.997   5.800
  200    HB   THR  26           HB       THR  26   7.752  -5.215   7.577
  201    HG1  THR  26          1HG       THR  26   6.281  -3.853   5.840
  202   HG21  THR  26          1HG2      THR  26   9.781  -5.729   6.356
  203   HG22  THR  26          2HG2      THR  26   9.686  -3.990   6.630
  204   HG23  THR  26          3HG2      THR  26   9.294  -4.656   5.045
  205    H    GLU  27           HN       GLU  27   4.655  -5.493   5.120
  206    HA   GLU  27           HA       GLU  27   3.582  -6.808   7.456
  207    HB2  GLU  27          2HB       GLU  27   2.127  -5.058   5.446
  208    HB3  GLU  27          1HB       GLU  27   1.384  -5.791   6.866
  209    HG2  GLU  27          2HG       GLU  27   3.143  -4.556   8.211
  210    HG3  GLU  27          1HG       GLU  27   3.450  -3.635   6.744
  211    H    GLY  28           HN       GLY  28   4.388  -7.862   4.524
  212    HA2  GLY  28          2HA       GLY  28   4.143 -10.183   4.027
  213    HA3  GLY  28          1HA       GLY  28   2.608 -10.166   4.871
  214    H    PHE  29           HN       PHE  29   3.315  -7.702   2.520
  215    HA   PHE  29           HA       PHE  29   1.373  -8.991   0.762
  216    HB2  PHE  29          2HB       PHE  29   1.839  -6.080   1.324
  217    HB3  PHE  29          1HB       PHE  29   0.768  -6.666   0.049
  218    HD1  PHE  29          1HD       PHE  29   0.969  -5.629   3.417
  219    HD2  PHE  29          2HD       PHE  29  -1.025  -8.351   0.851
  220    HE1  PHE  29          1HE       PHE  29  -0.872  -5.793   5.039
  221    HE2  PHE  29          2HE       PHE  29  -2.878  -8.519   2.426
  222    HZ   PHE  29           HZ       PHE  29  -2.811  -7.238   4.553
  223    HA   PRO  30           HA       PRO  30   4.394  -9.159  -2.416
  224    HB2  PRO  30          2HB       PRO  30   2.806  -9.291  -4.600
  225    HB3  PRO  30          1HB       PRO  30   2.977 -10.625  -3.455
  226    HG2  PRO  30          2HG       PRO  30   0.820  -8.556  -3.637
  227    HG3  PRO  30          1HG       PRO  30   0.660 -10.306  -3.410
  228    HD2  PRO  30          2HD       PRO  30   0.478  -8.575  -1.357
  229    HD3  PRO  30          1HD       PRO  30   1.194 -10.187  -1.162
  230    H    GLY  31           HN       GLY  31   2.245  -6.415  -2.309
  231    HA2  GLY  31          2HA       GLY  31   4.230  -4.718  -3.402
  232    HA3  GLY  31          1HA       GLY  31   3.008  -5.063  -4.618
  233    H    GLY  32           HN       GLY  32   3.369  -2.482  -3.848
  234    HA2  GLY  32          2HA       GLY  32   0.855  -1.942  -2.485
  235    HA3  GLY  32          1HA       GLY  32   2.326  -1.160  -1.899
  236    H    ARG  33           HN       ARG  33  -0.140  -0.087  -3.182
  237    HA   ARG  33           HA       ARG  33   1.171   1.518  -5.271
  238    HB2  ARG  33          2HB       ARG  33  -1.600   0.333  -5.560
  239    HB3  ARG  33          1HB       ARG  33  -0.764   1.327  -6.733
  240    HG2  ARG  33          2HG       ARG  33   0.870  -0.472  -7.071
  241    HG3  ARG  33          1HG       ARG  33  -0.004  -1.464  -5.901
  242    HD2  ARG  33          2HD       ARG  33  -2.033  -1.206  -7.336
  243    HD3  ARG  33          1HD       ARG  33  -1.001  -0.427  -8.536
  244    HE   ARG  33           HE       ARG  33  -0.211  -3.045  -7.603
  245   HH11  ARG  33          1HH1      ARG  33  -1.674  -1.135 -10.202
  246   HH12  ARG  33          2HH1      ARG  33  -1.632  -2.404 -11.346
  247   HH21  ARG  33          1HH2      ARG  33  -0.179  -4.770  -9.150
  248   HH22  ARG  33          2HH2      ARG  33  -0.694  -4.509 -10.749
  249    H    CYS  34           HN       CYS  34  -0.474   3.368  -5.844
  250    HA   CYS  34           HA       CYS  34  -1.525   4.469  -3.379
  251    HB2  CYS  34          2HB       CYS  34  -1.280   5.603  -6.178
  252    HB3  CYS  34          1HB       CYS  34  -2.034   6.465  -4.844
  253    H    ARG  35           HN       ARG  35  -3.644   4.640  -2.916
  254    HA   ARG  35           HA       ARG  35  -5.633   4.135  -4.969
  255    HB2  ARG  35          2HB       ARG  35  -5.077   1.860  -4.265
  256    HB3  ARG  35          1HB       ARG  35  -5.341   2.293  -2.587
  257    HG2  ARG  35          2HG       ARG  35  -7.200   0.992  -3.462
  258    HG3  ARG  35          1HG       ARG  35  -7.723   2.622  -3.041
  259    HD2  ARG  35          2HD       ARG  35  -8.685   1.895  -5.161
  260    HD3  ARG  35          1HD       ARG  35  -7.606   3.276  -5.373
  261    HE   ARG  35           HE       ARG  35  -6.442   0.665  -5.765
  262   HH11  ARG  35          1HH1      ARG  35  -7.953   3.480  -7.325
  263   HH12  ARG  35          2HH1      ARG  35  -7.318   3.142  -8.874
  264   HH21  ARG  35          1HH2      ARG  35  -5.582   0.217  -7.960
  265   HH22  ARG  35          2HH2      ARG  35  -5.980   1.265  -9.235
  266    H    GLY  36           HN       GLY  36  -4.972   4.616  -1.547
  267    HA2  GLY  36          2HA       GLY  36  -7.566   5.579  -0.948
  268    HA3  GLY  36          1HA       GLY  36  -6.132   5.712   0.063
  269    H    PHE  37           HN       PHE  37  -8.290   7.579  -0.613
  270    HA   PHE  37           HA       PHE  37  -7.535   9.675  -2.288
  271    HB2  PHE  37          2HB       PHE  37  -9.790   9.453  -1.445
  272    HB3  PHE  37          1HB       PHE  37  -9.220   9.590   0.208
  273    HD1  PHE  37          1HD       PHE  37  -9.419  11.510  -2.962
  274    HD2  PHE  37          2HD       PHE  37  -9.310  11.640   1.285
  275    HE1  PHE  37          1HE       PHE  37  -9.890  13.927  -3.025
  276    HE2  PHE  37          2HE       PHE  37  -9.771  14.051   1.228
  277    HZ   PHE  37           HZ       PHE  37 -10.062  15.195  -0.931
  278    H    ARG  38           HN       ARG  38  -6.581   8.862   0.942
  279    HA   ARG  38           HA       ARG  38  -5.380  11.425   1.543
  280    HB2  ARG  38          2HB       ARG  38  -5.294   8.801   3.048
  281    HB3  ARG  38          1HB       ARG  38  -4.710  10.344   3.651
  282    HG2  ARG  38          2HG       ARG  38  -7.562   9.717   2.926
  283    HG3  ARG  38          1HG       ARG  38  -6.896   9.704   4.560
  284    HD2  ARG  38          2HD       ARG  38  -6.360  12.036   4.385
  285    HD3  ARG  38          1HD       ARG  38  -6.945  12.086   2.719
  286    HE   ARG  38           HE       ARG  38  -9.047  11.164   4.138
  287   HH11  ARG  38          1HH1      ARG  38  -6.991  14.002   4.480
  288   HH12  ARG  38          2HH1      ARG  38  -8.225  15.018   5.058
  289   HH21  ARG  38          1HH2      ARG  38 -10.724  12.491   4.914
  290   HH22  ARG  38          2HH2      ARG  38 -10.430  14.128   5.321
  291    H    ARG  39           HN       ARG  39  -4.455   9.352  -0.642
  292    HA   ARG  39           HA       ARG  39  -2.521   8.811  -1.702
  293    HB2  ARG  39          2HB       ARG  39  -1.228  10.767   0.243
  294    HB3  ARG  39          1HB       ARG  39  -0.501  10.175  -1.245
  295    HG2  ARG  39          2HG       ARG  39  -2.098  11.341  -2.583
  296    HG3  ARG  39          1HG       ARG  39  -3.070  11.743  -1.168
  297    HD2  ARG  39          2HD       ARG  39  -1.872  13.696  -1.778
  298    HD3  ARG  39          1HD       ARG  39  -1.125  13.058  -0.317
  299    HE   ARG  39           HE       ARG  39  -0.000  12.481  -2.953
  300   HH11  ARG  39          1HH1      ARG  39   0.428  13.835   0.308
  301   HH12  ARG  39          2HH1      ARG  39   2.019  14.374   0.052
  302   HH21  ARG  39          1HH2      ARG  39   2.201  13.273  -3.317
  303   HH22  ARG  39          2HH2      ARG  39   3.035  14.081  -2.077
  304    H    ARG  40           HN       ARG  40  -3.450   7.148   0.165
  305    HA   ARG  40           HA       ARG  40  -1.337   6.368   2.009
  306    HB2  ARG  40          2HB       ARG  40  -4.115   5.311   1.576
  307    HB3  ARG  40          1HB       ARG  40  -2.995   4.646   2.757
  308    HG2  ARG  40          2HG       ARG  40  -3.943   7.480   2.715
  309    HG3  ARG  40          1HG       ARG  40  -4.708   6.207   3.678
  310    HD2  ARG  40          2HD       ARG  40  -1.836   7.132   3.904
  311    HD3  ARG  40          1HD       ARG  40  -3.160   7.584   4.977
  312    HE   ARG  40           HE       ARG  40  -3.216   4.914   5.126
  313   HH11  ARG  40          1HH1      ARG  40  -0.544   7.207   5.548
  314   HH12  ARG  40          2HH1      ARG  40   0.242   6.244   6.725
  315   HH21  ARG  40          1HH2      ARG  40  -2.058   3.597   6.689
  316   HH22  ARG  40          2HH2      ARG  40  -0.641   4.209   7.382
  317    H    CYS  41           HN       CYS  41  -0.202   4.558   1.892
  318    HA   CYS  41           HA       CYS  41   0.114   3.238  -0.615
  319    HB2  CYS  41          2HB       CYS  41   2.009   3.585   0.913
  320    HB3  CYS  41          1HB       CYS  41   1.224   2.591   2.127
  321    H    PHE  42           HN       PHE  42  -1.266   1.851  -1.333
  322    HA   PHE  42           HA       PHE  42  -2.679   0.144   0.539
  323    HB2  PHE  42          2HB       PHE  42  -3.374   1.304  -2.064
  324    HB3  PHE  42          1HB       PHE  42  -4.008  -0.290  -1.712
  325    HD1  PHE  42          1HD       PHE  42  -3.703   3.046  -0.022
  326    HD2  PHE  42          2HD       PHE  42  -6.101  -0.395  -0.738
  327    HE1  PHE  42          1HE       PHE  42  -5.574   4.044   1.274
  328    HE2  PHE  42          2HE       PHE  42  -7.929   0.598   0.535
  329    HZ   PHE  42           HZ       PHE  42  -7.667   2.817   1.546
  330    H    CYS  43           HN       CYS  43  -2.002  -1.647   0.775
  331    HA   CYS  43           HA       CYS  43  -0.045  -2.860  -0.884
  332    HB2  CYS  43          2HB       CYS  43  -1.536  -3.874   1.531
  333    HB3  CYS  43          1HB       CYS  43  -0.115  -4.621   0.808
  334    H    THR  44           HN       THR  44  -0.447  -4.122  -2.472
  335    HA   THR  44           HA       THR  44  -3.172  -4.829  -3.114
  336    HB   THR  44           HB       THR  44  -0.605  -5.202  -4.677
  337    HG1  THR  44          1HG       THR  44  -1.556  -2.994  -3.946
  338   HG21  THR  44          1HG2      THR  44  -2.120  -5.313  -6.620
  339   HG22  THR  44          2HG2      THR  44  -3.509  -5.141  -5.549
  340   HG23  THR  44          3HG2      THR  44  -2.503  -6.588  -5.462
  341    H    THR  45           HN       THR  45  -3.958  -6.786  -2.791
  342    HA   THR  45           HA       THR  45  -2.196  -9.047  -2.399
  343    HB   THR  45           HB       THR  45  -2.553  -7.972  -0.194
  344    HG1  THR  45          1HG       THR  45  -3.845 -10.009   0.623
  345   HG21  THR  45          1HG2      THR  45  -4.769  -6.999  -0.571
  346   HG22  THR  45          2HG2      THR  45  -4.762  -8.012   0.869
  347   HG23  THR  45          3HG2      THR  45  -5.474  -8.618  -0.627
  348    H    HIS  46           HN       HIS  46  -3.693 -11.008  -2.169
  349    HA   HIS  46           HA       HIS  46  -6.057 -10.608  -3.853
  350    HB2  HIS  46          2HB       HIS  46  -4.345 -13.092  -3.586
  351    HB3  HIS  46          1HB       HIS  46  -5.844 -12.995  -4.504
  352    HD1  HIS  46          1HD       HIS  46  -5.757 -11.568  -6.743
  353    HD2  HIS  46          2HD       HIS  46  -2.126 -12.048  -4.784
  354    HE1  HIS  46          1HE       HIS  46  -4.002 -10.953  -8.400
  355    H    CYS  47           HN       CYS  47  -7.979 -11.517  -3.235
  356    HA   CYS  47           HA       CYS  47  -8.100 -12.368  -0.466
  357    HB2  CYS  47          2HB       CYS  47 -10.282 -11.557  -2.402
  358    HB3  CYS  47          1HB       CYS  47 -10.549 -11.995  -0.719
  Start of MODEL   10
    1    H1   ARG   1          1HT       ARG   1 -10.582 -11.957  -5.904
    2    H2   ARG   1          2HT       ARG   1 -11.463 -11.608  -7.311
    3    H3   ARG   1          3HT       ARG   1 -11.057 -10.366  -6.230
    4    HA   ARG   1           HA       ARG   1  -9.199 -12.013  -7.838
    5    HB2  ARG   1          2HB       ARG   1 -10.414 -10.211  -9.084
    6    HB3  ARG   1          1HB       ARG   1  -9.799  -9.044  -7.940
    7    HG2  ARG   1          2HG       ARG   1  -7.479  -9.698  -8.640
    8    HG3  ARG   1          1HG       ARG   1  -8.210 -10.649  -9.934
    9    HD2  ARG   1          2HD       ARG   1  -8.440  -7.683  -9.482
   10    HD3  ARG   1          1HD       ARG   1  -7.608  -8.497 -10.807
   11    HE   ARG   1           HE       ARG   1 -10.039  -9.415 -11.157
   12   HH11  ARG   1          1HH1      ARG   1  -9.041  -6.068 -10.397
   13   HH12  ARG   1          2HH1      ARG   1 -10.320  -5.355 -11.238
   14   HH21  ARG   1          1HH2      ARG   1 -11.847  -8.385 -12.252
   15   HH22  ARG   1          2HH2      ARG   1 -11.944  -6.683 -12.302
   16    H    THR   2           HN       THR   2  -9.041  -8.779  -6.358
   17    HA   THR   2           HA       THR   2  -6.925  -9.678  -4.616
   18    HB   THR   2           HB       THR   2  -5.881  -7.399  -5.238
   19    HG1  THR   2          1HG       THR   2  -6.404  -7.051  -7.591
   20   HG21  THR   2          1HG2      THR   2  -4.651  -8.367  -7.156
   21   HG22  THR   2          2HG2      THR   2  -5.852  -9.657  -7.263
   22   HG23  THR   2          3HG2      THR   2  -4.821  -9.529  -5.840
   23    H    CYS   3           HN       CYS   3  -6.510  -7.868  -3.061
   24    HA   CYS   3           HA       CYS   3  -8.809  -6.180  -2.564
   25    HB2  CYS   3          2HB       CYS   3  -7.701  -8.318  -0.803
   26    HB3  CYS   3          1HB       CYS   3  -8.506  -6.910  -0.047
   27    H    GLN   4           HN       GLN   4  -8.247  -4.322  -1.468
   28    HA   GLN   4           HA       GLN   4  -5.361  -3.892  -1.267
   29    HB2  GLN   4          2HB       GLN   4  -7.623  -1.986  -1.799
   30    HB3  GLN   4          1HB       GLN   4  -6.051  -1.400  -1.298
   31    HG2  GLN   4          2HG       GLN   4  -5.060  -2.533  -3.267
   32    HG3  GLN   4          1HG       GLN   4  -6.686  -2.986  -3.778
   33   HE21  GLN   4          1HE2      GLN   4  -8.037  -1.411  -4.549
   34   HE22  GLN   4          2HE2      GLN   4  -7.498   0.144  -5.050
   35    H    SER   5           HN       SER   5  -4.539  -3.838   0.610
   36    HA   SER   5           HA       SER   5  -6.272  -3.338   2.905
   37    HB2  SER   5          2HB       SER   5  -3.668  -4.859   2.746
   38    HB3  SER   5          1HB       SER   5  -4.739  -4.740   4.146
   39    HG   SER   5           HG       SER   5  -6.367  -5.584   2.558
   40    H    GLN   6           HN       GLN   6  -5.675  -1.774   4.327
   41    HA   GLN   6           HA       GLN   6  -3.937   0.272   3.501
   42    HB2  GLN   6          2HB       GLN   6  -5.777   0.773   4.955
   43    HB3  GLN   6          1HB       GLN   6  -5.173  -0.339   6.179
   44    HG2  GLN   6          2HG       GLN   6  -4.724   1.913   6.886
   45    HG3  GLN   6          1HG       GLN   6  -3.205   1.122   6.480
   46   HE21  GLN   6          1HE2      GLN   6  -2.095   2.992   6.096
   47   HE22  GLN   6          2HE2      GLN   6  -2.426   4.023   4.768
   48    H    SER   7           HN       SER   7  -1.812   0.472   3.692
   49    HA   SER   7           HA       SER   7  -0.228  -1.369   5.161
   50    HB2  SER   7          2HB       SER   7   0.545   1.309   3.985
   51    HB3  SER   7          1HB       SER   7   1.590  -0.095   4.247
   52    HG   SER   7           HG       SER   7   0.832  -0.994   2.434
   53    H    HIS   8           HN       HIS   8  -0.509  -1.233   7.344
   54    HA   HIS   8           HA       HIS   8  -1.421   1.175   8.586
   55    HB2  HIS   8          2HB       HIS   8  -0.636  -1.450   9.830
   56    HB3  HIS   8          1HB       HIS   8  -1.441  -0.132  10.671
   57    HD1  HIS   8          1HD       HIS   8  -2.167  -3.193   8.852
   58    HD2  HIS   8          2HD       HIS   8  -4.059   0.463   9.457
   59    HE1  HIS   8          1HE       HIS   8  -4.589  -3.567   8.292
   60    H    ARG   9           HN       ARG   9   1.638  -0.358   8.301
   61    HA   ARG   9           HA       ARG   9   2.787   1.429  10.332
   62    HB2  ARG   9          2HB       ARG   9   4.748   0.024  10.227
   63    HB3  ARG   9          1HB       ARG   9   3.325  -0.992  10.383
   64    HG2  ARG   9          2HG       ARG   9   3.403  -1.341   7.909
   65    HG3  ARG   9          1HG       ARG   9   4.934  -0.484   7.895
   66    HD2  ARG   9          2HD       ARG   9   4.292  -3.046   9.332
   67    HD3  ARG   9          1HD       ARG   9   5.354  -2.851   7.952
   68    HE   ARG   9           HE       ARG   9   6.384  -1.207   9.865
   69   HH11  ARG   9          1HH1      ARG   9   5.741  -4.701   9.587
   70   HH12  ARG   9          2HH1      ARG   9   6.871  -5.119  10.781
   71   HH21  ARG   9          1HH2      ARG   9   7.941  -1.812  11.464
   72   HH22  ARG   9          2HH2      ARG   9   8.158  -3.464  11.871
   73    H    PHE  10           HN       PHE  10   1.894   2.122   7.496
   74    HA   PHE  10           HA       PHE  10   4.355   2.724   6.131
   75    HB2  PHE  10          2HB       PHE  10   2.409   1.953   4.866
   76    HB3  PHE  10          1HB       PHE  10   1.485   3.347   5.410
   77    HD1  PHE  10          1HD       PHE  10   4.409   2.305   3.429
   78    HD2  PHE  10          2HD       PHE  10   1.615   5.406   4.234
   79    HE1  PHE  10          1HE       PHE  10   5.235   3.539   1.524
   80    HE2  PHE  10          2HE       PHE  10   2.451   6.653   2.317
   81    HZ   PHE  10           HZ       PHE  10   4.276   5.729   0.950
   82    H    ARG  11           HN       ARG  11   5.438   4.539   6.374
   83    HA   ARG  11           HA       ARG  11   4.018   6.841   7.467
   84    HB2  ARG  11          2HB       ARG  11   6.198   7.686   8.231
   85    HB3  ARG  11          1HB       ARG  11   5.712   6.181   8.988
   86    HG2  ARG  11          2HG       ARG  11   7.262   4.949   7.697
   87    HG3  ARG  11          1HG       ARG  11   7.641   6.364   6.699
   88    HD2  ARG  11          2HD       ARG  11   7.915   6.325   9.626
   89    HD3  ARG  11          1HD       ARG  11   9.264   5.781   8.595
   90    HE   ARG  11           HE       ARG  11   8.425   8.297   7.737
   91   HH11  ARG  11          1HH1      ARG  11   9.853   6.960  10.680
   92   HH12  ARG  11          2HH1      ARG  11  10.723   8.378  11.071
   93   HH21  ARG  11          1HH2      ARG  11   9.660  10.246   8.268
   94   HH22  ARG  11          2HH2      ARG  11  10.598  10.274   9.684
   95    H    GLY  12           HN       GLY  12   4.181   8.772   6.486
   96    HA2  GLY  12          2HA       GLY  12   4.978  10.335   4.953
   97    HA3  GLY  12          1HA       GLY  12   5.883   9.056   4.149
   98    HA   PRO  13           HA       PRO  13   1.999   9.538   1.740
   99    HB2  PRO  13          2HB       PRO  13   2.912  10.803  -0.425
  100    HB3  PRO  13          1HB       PRO  13   2.485  11.703   1.029
  101    HG2  PRO  13          2HG       PRO  13   5.163  11.020  -0.050
  102    HG3  PRO  13          1HG       PRO  13   4.659  12.430   0.892
  103    HD2  PRO  13          2HD       PRO  13   5.979  10.121   1.871
  104    HD3  PRO  13          1HD       PRO  13   5.245  11.414   2.839
  105    H    CYS  14           HN       CYS  14   1.468   8.340  -0.188
  106    HA   CYS  14           HA       CYS  14   3.099   6.096  -0.645
  107    HB2  CYS  14          2HB       CYS  14   0.626   6.077  -0.851
  108    HB3  CYS  14          1HB       CYS  14   0.756   7.057  -2.304
  109    H    LEU  15           HN       LEU  15   3.438   9.195  -1.813
  110    HA   LEU  15           HA       LEU  15   4.197   9.015  -4.489
  111    HB2  LEU  15          2HB       LEU  15   5.494  10.683  -2.331
  112    HB3  LEU  15          1HB       LEU  15   5.648  10.953  -4.052
  113    HG   LEU  15           HG       LEU  15   3.113  11.237  -2.440
  114   HD11  LEU  15          1HD1      LEU  15   4.734  12.993  -1.990
  115   HD12  LEU  15          2HD1      LEU  15   3.359  13.612  -2.903
  116   HD13  LEU  15          3HD1      LEU  15   4.890  13.300  -3.720
  117   HD21  LEU  15          1HD2      LEU  15   2.179  12.188  -4.508
  118   HD22  LEU  15          2HD2      LEU  15   2.624  10.496  -4.701
  119   HD23  LEU  15          3HD2      LEU  15   3.661  11.760  -5.361
  120    H    ARG  16           HN       ARG  16   5.924   8.238  -1.562
  121    HA   ARG  16           HA       ARG  16   8.274   7.379  -3.027
  122    HB2  ARG  16          2HB       ARG  16   7.654   7.102  -0.069
  123    HB3  ARG  16          1HB       ARG  16   9.216   6.867  -0.833
  124    HG2  ARG  16          2HG       ARG  16   9.287   9.243  -1.410
  125    HG3  ARG  16          1HG       ARG  16   7.719   9.472  -0.641
  126    HD2  ARG  16          2HD       ARG  16   8.708   8.685   1.498
  127    HD3  ARG  16          1HD       ARG  16  10.277   8.598   0.699
  128    HE   ARG  16           HE       ARG  16   9.066  11.151   0.411
  129   HH11  ARG  16          1HH1      ARG  16  10.977   9.198   2.686
  130   HH12  ARG  16          2HH1      ARG  16  11.555  10.528   3.563
  131   HH21  ARG  16          1HH2      ARG  16   9.882  12.987   1.639
  132   HH22  ARG  16          2HH2      ARG  16  10.920  12.715   2.971
  133    H    ARG  17           HN       ARG  17   7.192   5.769  -4.273
  134    HA   ARG  17           HA       ARG  17   5.677   3.753  -3.013
  135    HB2  ARG  17          2HB       ARG  17   6.757   3.925  -5.807
  136    HB3  ARG  17          1HB       ARG  17   5.880   2.520  -5.224
  137    HG2  ARG  17          2HG       ARG  17   3.939   3.886  -4.745
  138    HG3  ARG  17          1HG       ARG  17   4.812   5.332  -5.257
  139    HD2  ARG  17          2HD       ARG  17   4.261   2.951  -7.015
  140    HD3  ARG  17          1HD       ARG  17   3.283   4.416  -6.978
  141    HE   ARG  17           HE       ARG  17   5.224   5.636  -7.697
  142   HH11  ARG  17          1HH1      ARG  17   5.402   2.109  -8.179
  143   HH12  ARG  17          2HH1      ARG  17   6.393   2.225  -9.557
  144   HH21  ARG  17          1HH2      ARG  17   6.628   5.744  -9.556
  145   HH22  ARG  17          2HH2      ARG  17   7.130   4.313 -10.337
  146    H    SER  18           HN       SER  18   9.018   4.128  -3.293
  147    HA   SER  18           HA       SER  18   9.770   1.434  -3.126
  148    HB2  SER  18          2HB       SER  18  11.825   2.452  -1.990
  149    HB3  SER  18          1HB       SER  18  11.461   3.039  -3.612
  150    HG   SER  18           HG       SER  18  11.831   4.498  -1.563
  151    H    ASN  19           HN       ASN  19   8.748   3.829  -0.769
  152    HA   ASN  19           HA       ASN  19   9.090   2.292   1.599
  153    HB2  ASN  19          2HB       ASN  19   7.150   4.545   0.989
  154    HB3  ASN  19          1HB       ASN  19   7.358   3.835   2.578
  155   HD21  ASN  19          1HD2      ASN  19   7.887   5.835   3.411
  156   HD22  ASN  19          2HD2      ASN  19   9.412   6.572   3.140
  157    H    CYS  20           HN       CYS  20   6.380   2.970  -0.504
  158    HA   CYS  20           HA       CYS  20   4.360   1.554   0.754
  159    HB2  CYS  20          2HB       CYS  20   4.028   3.148  -1.115
  160    HB3  CYS  20          1HB       CYS  20   4.773   1.999  -2.215
  161    H    ALA  21           HN       ALA  21   6.447   0.432  -1.914
  162    HA   ALA  21           HA       ALA  21   5.503  -2.214  -1.917
  163    HB1  ALA  21          1HB       ALA  21   8.147  -1.104  -2.856
  164    HB2  ALA  21          2HB       ALA  21   6.672  -1.239  -3.821
  165    HB3  ALA  21          3HB       ALA  21   7.500  -2.692  -3.256
  166    H    ASN  22           HN       ASN  22   8.202  -0.656  -0.208
  167    HA   ASN  22           HA       ASN  22   9.425  -2.968   0.809
  168    HB2  ASN  22          2HB       ASN  22  10.466  -0.736   0.921
  169    HB3  ASN  22          1HB       ASN  22   9.240  -0.219   2.066
  170   HD21  ASN  22          1HD2      ASN  22   9.415  -0.851   4.221
  171   HD22  ASN  22          2HD2      ASN  22  10.824  -1.624   4.826
  172    H    VAL  23           HN       VAL  23   6.971  -0.876   2.250
  173    HA   VAL  23           HA       VAL  23   6.634  -2.274   4.641
  174    HB   VAL  23           HB       VAL  23   4.713  -0.493   3.106
  175   HG11  VAL  23          1HG1      VAL  23   4.441  -1.580   5.911
  176   HG12  VAL  23          2HG1      VAL  23   3.383  -1.945   4.544
  177   HG13  VAL  23          3HG1      VAL  23   3.444  -0.309   5.208
  178   HG21  VAL  23          1HG2      VAL  23   5.299   1.129   4.858
  179   HG22  VAL  23          2HG2      VAL  23   6.694   0.623   3.903
  180   HG23  VAL  23          3HG2      VAL  23   6.448  -0.032   5.521
  181    H    CYS  24           HN       CYS  24   4.709  -2.416   1.674
  182    HA   CYS  24           HA       CYS  24   3.031  -4.445   2.526
  183    HB2  CYS  24          2HB       CYS  24   3.875  -3.537  -0.197
  184    HB3  CYS  24          1HB       CYS  24   2.599  -4.720   0.020
  185    H    ARG  25           HN       ARG  25   6.126  -4.671   0.837
  186    HA   ARG  25           HA       ARG  25   6.045  -7.432   0.324
  187    HB2  ARG  25          2HB       ARG  25   7.530  -5.748  -0.743
  188    HB3  ARG  25          1HB       ARG  25   8.436  -5.661   0.753
  189    HG2  ARG  25          2HG       ARG  25   9.117  -7.970   0.503
  190    HG3  ARG  25          1HG       ARG  25   8.137  -8.110  -0.964
  191    HD2  ARG  25          2HD       ARG  25  10.504  -6.286  -0.541
  192    HD3  ARG  25          1HD       ARG  25  10.421  -7.706  -1.591
  193    HE   ARG  25           HE       ARG  25   8.425  -6.227  -2.531
  194   HH11  ARG  25          1HH1      ARG  25  11.833  -5.385  -1.937
  195   HH12  ARG  25          2HH1      ARG  25  11.864  -4.131  -3.077
  196   HH21  ARG  25          1HH2      ARG  25   8.490  -4.494  -4.124
  197   HH22  ARG  25          2HH2      ARG  25   9.930  -3.606  -4.327
  198    H    THR  26           HN       THR  26   7.377  -5.555   3.056
  199    HA   THR  26           HA       THR  26   8.426  -7.910   4.248
  200    HB   THR  26           HB       THR  26   9.434  -5.627   4.631
  201    HG1  THR  26          1HG       THR  26   8.679  -7.135   6.930
  202   HG21  THR  26          1HG2      THR  26   7.084  -5.257   6.505
  203   HG22  THR  26          2HG2      THR  26   7.367  -4.353   5.022
  204   HG23  THR  26          3HG2      THR  26   8.476  -4.179   6.381
  205    H    GLU  27           HN       GLU  27   5.378  -6.241   4.424
  206    HA   GLU  27           HA       GLU  27   4.505  -7.635   6.763
  207    HB2  GLU  27          2HB       GLU  27   2.984  -5.997   4.731
  208    HB3  GLU  27          1HB       GLU  27   2.255  -6.691   6.176
  209    HG2  GLU  27          2HG       GLU  27   4.519  -4.718   6.159
  210    HG3  GLU  27          1HG       GLU  27   2.823  -4.306   6.378
  211    H    GLY  28           HN       GLY  28   4.934  -8.588   3.593
  212    HA2  GLY  28          2HA       GLY  28   4.755 -10.936   3.117
  213    HA3  GLY  28          1HA       GLY  28   3.353 -11.003   4.167
  214    H    PHE  29           HN       PHE  29   3.418  -8.343   2.044
  215    HA   PHE  29           HA       PHE  29   1.351  -9.632   0.457
  216    HB2  PHE  29          2HB       PHE  29   1.985  -6.709   0.899
  217    HB3  PHE  29          1HB       PHE  29   0.694  -7.302  -0.142
  218    HD1  PHE  29          1HD       PHE  29  -0.981  -8.907   0.977
  219    HD2  PHE  29          2HD       PHE  29   1.508  -6.223   3.113
  220    HE1  PHE  29          1HE       PHE  29  -2.518  -9.017   2.863
  221    HE2  PHE  29          2HE       PHE  29  -0.025  -6.318   5.039
  222    HZ   PHE  29           HZ       PHE  29  -2.051  -7.716   4.923
  223    HA   PRO  30           HA       PRO  30   3.949  -9.803  -3.059
  224    HB2  PRO  30          2HB       PRO  30   2.145  -9.478  -5.089
  225    HB3  PRO  30          1HB       PRO  30   2.331 -10.968  -4.163
  226    HG2  PRO  30          2HG       PRO  30   0.290  -8.815  -3.890
  227    HG3  PRO  30          1HG       PRO  30   0.095 -10.569  -3.746
  228    HD2  PRO  30          2HD       PRO  30   0.238  -8.912  -1.588
  229    HD3  PRO  30          1HD       PRO  30   0.797 -10.585  -1.548
  230    H    GLY  31           HN       GLY  31   1.931  -6.959  -2.716
  231    HA2  GLY  31          2HA       GLY  31   4.019  -5.249  -3.499
  232    HA3  GLY  31          1HA       GLY  31   2.866  -5.419  -4.817
  233    H    GLY  32           HN       GLY  32   3.095  -2.975  -3.932
  234    HA2  GLY  32          2HA       GLY  32   0.609  -2.555  -2.479
  235    HA3  GLY  32          1HA       GLY  32   2.075  -1.718  -1.948
  236    H    ARG  33           HN       ARG  33  -0.426  -0.655  -3.080
  237    HA   ARG  33           HA       ARG  33   0.748   0.801  -5.354
  238    HB2  ARG  33          2HB       ARG  33  -2.107  -0.191  -5.199
  239    HB3  ARG  33          1HB       ARG  33  -1.414   0.766  -6.493
  240    HG2  ARG  33          2HG       ARG  33   0.034  -1.102  -7.103
  241    HG3  ARG  33          1HG       ARG  33  -0.634  -2.054  -5.776
  242    HD2  ARG  33          2HD       ARG  33  -2.885  -1.799  -6.805
  243    HD3  ARG  33          1HD       ARG  33  -2.124  -0.993  -8.175
  244    HE   ARG  33           HE       ARG  33  -1.038  -3.572  -7.548
  245   HH11  ARG  33          1HH1      ARG  33  -3.491  -1.853  -9.431
  246   HH12  ARG  33          2HH1      ARG  33  -3.727  -3.100 -10.555
  247   HH21  ARG  33          1HH2      ARG  33  -1.377  -5.314  -9.065
  248   HH22  ARG  33          2HH2      ARG  33  -2.513  -5.148 -10.327
  249    H    CYS  34           HN       CYS  34  -0.224   2.917  -5.626
  250    HA   CYS  34           HA       CYS  34  -1.162   4.111  -3.172
  251    HB2  CYS  34          2HB       CYS  34  -0.833   5.275  -5.956
  252    HB3  CYS  34          1HB       CYS  34  -1.124   6.197  -4.484
  253    H    ARG  35           HN       ARG  35  -3.289   5.092  -2.990
  254    HA   ARG  35           HA       ARG  35  -5.112   4.028  -5.014
  255    HB2  ARG  35          2HB       ARG  35  -5.094   2.548  -3.093
  256    HB3  ARG  35          1HB       ARG  35  -5.548   3.882  -2.051
  257    HG2  ARG  35          2HG       ARG  35  -7.684   4.064  -3.211
  258    HG3  ARG  35          1HG       ARG  35  -7.207   2.730  -4.268
  259    HD2  ARG  35          2HD       ARG  35  -7.027   1.245  -2.367
  260    HD3  ARG  35          1HD       ARG  35  -7.425   2.568  -1.274
  261    HE   ARG  35           HE       ARG  35  -9.390   2.038  -3.304
  262   HH11  ARG  35          1HH1      ARG  35  -8.299   1.171  -0.060
  263   HH12  ARG  35          2HH1      ARG  35  -9.861   0.739   0.478
  264   HH21  ARG  35          1HH2      ARG  35 -11.462   1.473  -2.574
  265   HH22  ARG  35          2HH2      ARG  35 -11.710   0.922  -0.958
  266    H    GLY  36           HN       GLY  36  -5.721   5.986  -2.058
  267    HA2  GLY  36          2HA       GLY  36  -7.608   7.490  -3.642
  268    HA3  GLY  36          1HA       GLY  36  -7.425   7.550  -1.904
  269    H    PHE  37           HN       PHE  37  -7.852   9.794  -2.777
  270    HA   PHE  37           HA       PHE  37  -5.911  11.389  -4.014
  271    HB2  PHE  37          2HB       PHE  37  -8.340  11.926  -3.788
  272    HB3  PHE  37          1HB       PHE  37  -8.087  12.224  -2.078
  273    HD1  PHE  37          1HD       PHE  37  -7.636  13.495  -5.459
  274    HD2  PHE  37          2HD       PHE  37  -6.906  14.252  -1.333
  275    HE1  PHE  37          1HE       PHE  37  -7.135  15.848  -5.980
  276    HE2  PHE  37          2HE       PHE  37  -6.401  16.598  -1.852
  277    HZ   PHE  37           HZ       PHE  37  -6.513  17.401  -4.172
  278    H    ARG  38           HN       ARG  38  -6.366  10.452  -0.646
  279    HA   ARG  38           HA       ARG  38  -4.506  12.401   0.321
  280    HB2  ARG  38          2HB       ARG  38  -5.782  10.044   1.683
  281    HB3  ARG  38          1HB       ARG  38  -4.594  11.057   2.482
  282    HG2  ARG  38          2HG       ARG  38  -6.025  13.015   2.122
  283    HG3  ARG  38          1HG       ARG  38  -7.231  11.982   1.360
  284    HD2  ARG  38          2HD       ARG  38  -7.612  10.809   3.409
  285    HD3  ARG  38          1HD       ARG  38  -6.254  11.611   4.195
  286    HE   ARG  38           HE       ARG  38  -8.063  13.510   3.222
  287   HH11  ARG  38          1HH1      ARG  38  -7.786  11.171   5.890
  288   HH12  ARG  38          2HH1      ARG  38  -8.825  12.038   6.917
  289   HH21  ARG  38          1HH2      ARG  38  -9.442  14.706   4.708
  290   HH22  ARG  38          2HH2      ARG  38  -9.760  14.057   6.258
  291    H    ARG  39           HN       ARG  39  -4.040   9.759  -1.440
  292    HA   ARG  39           HA       ARG  39  -2.192   8.720  -2.208
  293    HB2  ARG  39          2HB       ARG  39  -0.655  10.735  -0.569
  294    HB3  ARG  39          1HB       ARG  39  -0.008   9.751  -1.869
  295    HG2  ARG  39          2HG       ARG  39  -1.391  10.904  -3.475
  296    HG3  ARG  39          1HG       ARG  39  -2.158  11.834  -2.186
  297    HD2  ARG  39          2HD       ARG  39   0.747  11.910  -2.982
  298    HD3  ARG  39          1HD       ARG  39  -0.451  13.173  -3.274
  299    HE   ARG  39           HE       ARG  39  -0.220  12.520  -0.509
  300   HH11  ARG  39          1HH1      ARG  39   1.229  14.483  -3.081
  301   HH12  ARG  39          2HH1      ARG  39   1.996  15.548  -2.022
  302   HH21  ARG  39          1HH2      ARG  39   0.837  14.006   0.956
  303   HH22  ARG  39          2HH2      ARG  39   1.804  15.249   0.323
  304    H    ARG  40           HN       ARG  40  -3.379   7.414  -0.186
  305    HA   ARG  40           HA       ARG  40  -1.304   6.574   1.658
  306    HB2  ARG  40          2HB       ARG  40  -4.140   5.668   1.215
  307    HB3  ARG  40          1HB       ARG  40  -3.041   4.834   2.290
  308    HG2  ARG  40          2HG       ARG  40  -2.872   6.863   3.658
  309    HG3  ARG  40          1HG       ARG  40  -4.023   7.667   2.580
  310    HD2  ARG  40          2HD       ARG  40  -5.747   6.140   3.125
  311    HD3  ARG  40          1HD       ARG  40  -4.621   5.048   3.921
  312    HE   ARG  40           HE       ARG  40  -4.883   7.677   5.081
  313   HH11  ARG  40          1HH1      ARG  40  -5.888   4.261   5.156
  314   HH12  ARG  40          2HH1      ARG  40  -6.512   4.336   6.737
  315   HH21  ARG  40          1HH2      ARG  40  -5.731   7.741   7.305
  316   HH22  ARG  40          2HH2      ARG  40  -6.400   6.323   7.975
  317    H    CYS  41           HN       CYS  41  -0.596   4.407   1.741
  318    HA   CYS  41           HA       CYS  41  -0.412   3.125  -0.856
  319    HB2  CYS  41          2HB       CYS  41   1.715   3.474   0.257
  320    HB3  CYS  41          1HB       CYS  41   1.104   2.767   1.745
  321    H    PHE  42           HN       PHE  42  -1.388   1.267  -1.233
  322    HA   PHE  42           HA       PHE  42  -2.563  -0.147   1.013
  323    HB2  PHE  42          2HB       PHE  42  -3.832   0.492  -1.633
  324    HB3  PHE  42          1HB       PHE  42  -4.336  -0.871  -0.643
  325    HD1  PHE  42          1HD       PHE  42  -4.040   2.808  -0.689
  326    HD2  PHE  42          2HD       PHE  42  -5.771  -0.579   1.178
  327    HE1  PHE  42          1HE       PHE  42  -5.561   4.284   0.566
  328    HE2  PHE  42          2HE       PHE  42  -7.285   0.883   2.451
  329    HZ   PHE  42           HZ       PHE  42  -7.183   3.320   2.143
  330    H    CYS  43           HN       CYS  43  -1.807  -1.979   1.197
  331    HA   CYS  43           HA       CYS  43  -0.130  -3.255  -0.678
  332    HB2  CYS  43          2HB       CYS  43  -1.455  -4.280   1.830
  333    HB3  CYS  43          1HB       CYS  43  -0.185  -5.117   0.941
  334    H    THR  44           HN       THR  44  -0.730  -4.400  -2.333
  335    HA   THR  44           HA       THR  44  -3.524  -5.015  -2.690
  336    HB   THR  44           HB       THR  44  -1.204  -5.458  -4.585
  337    HG1  THR  44          1HG       THR  44  -2.154  -3.183  -3.588
  338   HG21  THR  44          1HG2      THR  44  -3.342  -6.579  -5.173
  339   HG22  THR  44          2HG2      THR  44  -2.964  -5.280  -6.304
  340   HG23  THR  44          3HG2      THR  44  -4.175  -5.030  -5.048
  341    H    THR  45           HN       THR  45  -4.118  -6.812  -1.734
  342    HA   THR  45           HA       THR  45  -2.310  -9.099  -1.789
  343    HB   THR  45           HB       THR  45  -2.861  -8.267   0.499
  344    HG1  THR  45          1HG       THR  45  -3.975 -10.504   1.058
  345   HG21  THR  45          1HG2      THR  45  -5.128  -8.613   1.408
  346   HG22  THR  45          2HG2      THR  45  -5.687  -9.089  -0.198
  347   HG23  THR  45          3HG2      THR  45  -5.132  -7.442   0.088
  348    H    HIS  46           HN       HIS  46  -3.794 -11.151  -1.505
  349    HA   HIS  46           HA       HIS  46  -5.355 -11.180  -3.962
  350    HB2  HIS  46          2HB       HIS  46  -5.079 -13.662  -3.805
  351    HB3  HIS  46          1HB       HIS  46  -3.561 -12.780  -3.878
  352    HD1  HIS  46          1HD       HIS  46  -1.868 -13.298  -2.009
  353    HD2  HIS  46          2HD       HIS  46  -5.707 -14.622  -1.172
  354    HE1  HIS  46          1HE       HIS  46  -1.683 -14.608   0.106
  355    H    CYS  47           HN       CYS  47  -7.466 -11.844  -4.079
  356    HA   CYS  47           HA       CYS  47  -8.690 -12.855  -1.701
  357    HB2  CYS  47          2HB       CYS  47  -9.632 -10.435  -3.175
  358    HB3  CYS  47          1HB       CYS  47 -10.793 -11.459  -2.336
  Start of MODEL   11
    1    H1   ARG   1          1HT       ARG   1  -9.139 -12.018  -7.005
    2    H2   ARG   1          2HT       ARG   1  -7.931 -12.104  -8.131
    3    H3   ARG   1          3HT       ARG   1  -9.521 -12.228  -8.645
    4    HA   ARG   1           HA       ARG   1  -8.454 -10.104  -9.164
    5    HB2  ARG   1          2HB       ARG   1 -10.228  -8.586  -8.370
    6    HB3  ARG   1          1HB       ARG   1 -10.923 -10.097  -8.904
    7    HG2  ARG   1          2HG       ARG   1 -10.411  -9.480  -5.997
    8    HG3  ARG   1          1HG       ARG   1 -11.902  -9.032  -6.817
    9    HD2  ARG   1          2HD       ARG   1 -12.348 -11.374  -7.308
   10    HD3  ARG   1          1HD       ARG   1 -10.824 -11.842  -6.561
   11    HE   ARG   1           HE       ARG   1 -12.480 -10.363  -4.789
   12   HH11  ARG   1          1HH1      ARG   1 -11.897 -13.624  -6.059
   13   HH12  ARG   1          2HH1      ARG   1 -12.732 -14.409  -4.812
   14   HH21  ARG   1          1HH2      ARG   1 -13.531 -11.437  -3.050
   15   HH22  ARG   1          2HH2      ARG   1 -13.673 -13.141  -3.026
   16    H    THR   2           HN       THR   2  -7.924  -7.888  -8.162
   17    HA   THR   2           HA       THR   2  -6.187  -8.535  -5.951
   18    HB   THR   2           HB       THR   2  -5.182  -7.384  -7.835
   19    HG1  THR   2          1HG       THR   2  -4.969  -5.375  -5.947
   20   HG21  THR   2          1HG2      THR   2  -7.049  -5.995  -8.596
   21   HG22  THR   2          2HG2      THR   2  -5.628  -4.998  -8.286
   22   HG23  THR   2          3HG2      THR   2  -6.944  -5.045  -7.115
   23    H    CYS   3           HN       CYS   3  -6.006  -7.224  -4.258
   24    HA   CYS   3           HA       CYS   3  -8.353  -5.684  -3.415
   25    HB2  CYS   3          2HB       CYS   3  -7.279  -8.109  -1.951
   26    HB3  CYS   3          1HB       CYS   3  -8.385  -6.948  -1.208
   27    H    GLN   4           HN       GLN   4  -7.858  -4.055  -2.039
   28    HA   GLN   4           HA       GLN   4  -5.037  -3.802  -1.293
   29    HB2  GLN   4          2HB       GLN   4  -6.916  -1.746  -2.418
   30    HB3  GLN   4          1HB       GLN   4  -5.438  -1.292  -1.606
   31    HG2  GLN   4          2HG       GLN   4  -5.010  -1.219  -3.902
   32    HG3  GLN   4          1HG       GLN   4  -4.192  -2.656  -3.307
   33   HE21  GLN   4          1HE2      GLN   4  -7.655  -2.433  -3.993
   34   HE22  GLN   4          2HE2      GLN   4  -7.617  -3.486  -5.349
   35    H    SER   5           HN       SER   5  -4.679  -3.538   0.776
   36    HA   SER   5           HA       SER   5  -6.855  -2.520   2.479
   37    HB2  SER   5          2HB       SER   5  -6.423  -4.963   2.788
   38    HB3  SER   5          1HB       SER   5  -4.751  -4.598   3.189
   39    HG   SER   5           HG       SER   5  -6.809  -3.360   4.645
   40    H    GLN   6           HN       GLN   6  -6.337  -0.853   3.794
   41    HA   GLN   6           HA       GLN   6  -4.251   0.890   3.331
   42    HB2  GLN   6          2HB       GLN   6  -6.270   1.574   4.405
   43    HB3  GLN   6          1HB       GLN   6  -5.986   0.489   5.755
   44    HG2  GLN   6          2HG       GLN   6  -5.602   2.772   6.443
   45    HG3  GLN   6          1HG       GLN   6  -4.073   1.903   6.435
   46   HE21  GLN   6          1HE2      GLN   6  -2.493   2.557   5.060
   47   HE22  GLN   6          2HE2      GLN   6  -2.577   3.979   4.104
   48    H    SER   7           HN       SER   7  -2.183   0.845   3.781
   49    HA   SER   7           HA       SER   7  -1.069  -1.085   5.606
   50    HB2  SER   7          2HB       SER   7   0.028  -0.383   3.425
   51    HB3  SER   7          1HB       SER   7   0.323   1.193   4.154
   52    HG   SER   7           HG       SER   7   1.818  -0.899   4.265
   53    H    HIS   8           HN       HIS   8  -0.870  -0.705   7.709
   54    HA   HIS   8           HA       HIS   8  -1.697   1.816   8.805
   55    HB2  HIS   8          2HB       HIS   8  -0.592  -0.599  10.234
   56    HB3  HIS   8          1HB       HIS   8  -1.426   0.751  10.979
   57    HD1  HIS   8          1HD       HIS   8  -4.110   0.934  10.204
   58    HD2  HIS   8          2HD       HIS   8  -2.130  -2.665   9.564
   59    HE1  HIS   8          1HE       HIS   8  -5.901  -0.791   9.928
   60    H    ARG   9           HN       ARG   9   1.260  -0.054   8.672
   61    HA   ARG   9           HA       ARG   9   2.618   1.947  10.264
   62    HB2  ARG   9          2HB       ARG   9   4.539   0.403  10.266
   63    HB3  ARG   9          1HB       ARG   9   3.062  -0.316  10.872
   64    HG2  ARG   9          2HG       ARG   9   2.755  -1.493   8.765
   65    HG3  ARG   9          1HG       ARG   9   4.224  -0.745   8.133
   66    HD2  ARG   9          2HD       ARG   9   4.637  -3.021   8.945
   67    HD3  ARG   9          1HD       ARG   9   5.546  -1.822   9.869
   68    HE   ARG   9           HE       ARG   9   2.979  -2.586  10.958
   69   HH11  ARG   9          1HH1      ARG   9   6.472  -3.247  10.996
   70   HH12  ARG   9          2HH1      ARG   9   6.446  -3.979  12.529
   71   HH21  ARG   9          1HH2      ARG   9   2.984  -3.579  13.089
   72   HH22  ARG   9          2HH2      ARG   9   4.448  -4.178  13.722
   73    H    PHE  10           HN       PHE  10   1.822   2.357   7.355
   74    HA   PHE  10           HA       PHE  10   4.455   2.916   6.258
   75    HB2  PHE  10          2HB       PHE  10   2.789   1.931   4.721
   76    HB3  PHE  10          1HB       PHE  10   1.725   3.307   5.001
   77    HD1  PHE  10          1HD       PHE  10   4.968   2.287   3.576
   78    HD2  PHE  10          2HD       PHE  10   2.035   5.354   3.830
   79    HE1  PHE  10          1HE       PHE  10   6.095   3.511   1.783
   80    HE2  PHE  10          2HE       PHE  10   3.153   6.579   2.034
   81    HZ   PHE  10           HZ       PHE  10   5.188   5.669   1.001
   82    H    ARG  11           HN       ARG  11   5.214   4.929   5.918
   83    HA   ARG  11           HA       ARG  11   3.698   7.145   7.056
   84    HB2  ARG  11          2HB       ARG  11   5.903   7.996   7.914
   85    HB3  ARG  11          1HB       ARG  11   5.273   6.571   8.727
   86    HG2  ARG  11          2HG       ARG  11   6.805   5.158   7.456
   87    HG3  ARG  11          1HG       ARG  11   7.422   6.581   6.614
   88    HD2  ARG  11          2HD       ARG  11   8.206   7.504   8.693
   89    HD3  ARG  11          1HD       ARG  11   7.493   6.148   9.572
   90    HE   ARG  11           HE       ARG  11   9.081   4.763   8.119
   91   HH11  ARG  11          1HH1      ARG  11   9.899   8.011   9.347
   92   HH12  ARG  11          2HH1      ARG  11  11.550   7.676   9.462
   93   HH21  ARG  11          1HH2      ARG  11  11.383   4.345   8.311
   94   HH22  ARG  11          2HH2      ARG  11  12.405   5.591   8.877
   95    H    GLY  12           HN       GLY  12   3.434   8.721   5.615
   96    HA2  GLY  12          2HA       GLY  12   4.499  10.423   4.287
   97    HA3  GLY  12          1HA       GLY  12   5.589   9.184   3.676
   98    HA   PRO  13           HA       PRO  13   2.163   9.471   0.661
   99    HB2  PRO  13          2HB       PRO  13   3.575  10.255  -1.496
  100    HB3  PRO  13          1HB       PRO  13   2.978  11.403  -0.295
  101    HG2  PRO  13          2HG       PRO  13   5.732  10.422  -0.758
  102    HG3  PRO  13          1HG       PRO  13   5.188  11.957  -0.068
  103    HD2  PRO  13          2HD       PRO  13   6.115   9.666   1.341
  104    HD3  PRO  13          1HD       PRO  13   5.406  11.135   2.036
  105    H    CYS  14           HN       CYS  14   1.546   7.757  -0.461
  106    HA   CYS  14           HA       CYS  14   3.088   5.397  -0.710
  107    HB2  CYS  14          2HB       CYS  14   1.184   4.528  -1.976
  108    HB3  CYS  14          1HB       CYS  14   0.666   5.365  -0.514
  109    H    LEU  15           HN       LEU  15   3.160   8.156  -2.554
  110    HA   LEU  15           HA       LEU  15   3.359   7.212  -5.185
  111    HB2  LEU  15          2HB       LEU  15   4.508   9.666  -3.895
  112    HB3  LEU  15          1HB       LEU  15   4.561   9.359  -5.621
  113    HG   LEU  15           HG       LEU  15   2.045   9.675  -3.984
  114   HD11  LEU  15          1HD1      LEU  15   3.273  11.767  -4.180
  115   HD12  LEU  15          2HD1      LEU  15   1.806  11.803  -5.158
  116   HD13  LEU  15          3HD1      LEU  15   3.372  11.559  -5.928
  117   HD21  LEU  15          1HD2      LEU  15   2.472   9.376  -6.958
  118   HD22  LEU  15          2HD2      LEU  15   0.942   9.775  -6.187
  119   HD23  LEU  15          3HD2      LEU  15   1.688   8.208  -5.890
  120    H    ARG  16           HN       ARG  16   5.608   7.173  -2.574
  121    HA   ARG  16           HA       ARG  16   7.751   6.423  -4.357
  122    HB2  ARG  16          2HB       ARG  16   7.663   6.225  -1.328
  123    HB3  ARG  16          1HB       ARG  16   9.088   6.028  -2.334
  124    HG2  ARG  16          2HG       ARG  16   7.566   8.547  -1.720
  125    HG3  ARG  16          1HG       ARG  16   9.255   8.174  -1.383
  126    HD2  ARG  16          2HD       ARG  16   7.990   8.690  -4.071
  127    HD3  ARG  16          1HD       ARG  16   9.150   9.713  -3.234
  128    HE   ARG  16           HE       ARG  16  10.640   7.618  -3.498
  129   HH11  ARG  16          1HH1      ARG  16   8.367   8.938  -5.886
  130   HH12  ARG  16          2HH1      ARG  16   9.159   8.292  -7.231
  131   HH21  ARG  16          1HH2      ARG  16  11.763   6.734  -5.384
  132   HH22  ARG  16          2HH2      ARG  16  11.151   7.030  -6.943
  133    H    ARG  17           HN       ARG  17   7.075   4.737  -5.404
  134    HA   ARG  17           HA       ARG  17   5.325   2.781  -4.547
  135    HB2  ARG  17          2HB       ARG  17   5.838   3.384  -6.904
  136    HB3  ARG  17          1HB       ARG  17   7.356   2.517  -6.757
  137    HG2  ARG  17          2HG       ARG  17   5.621   1.200  -7.903
  138    HG3  ARG  17          1HG       ARG  17   6.170   0.431  -6.412
  139    HD2  ARG  17          2HD       ARG  17   3.678   0.406  -6.754
  140    HD3  ARG  17          1HD       ARG  17   4.212   1.114  -5.234
  141    HE   ARG  17           HE       ARG  17   3.673   2.859  -7.518
  142   HH11  ARG  17          1HH1      ARG  17   2.634   1.657  -4.346
  143   HH12  ARG  17          2HH1      ARG  17   1.711   3.041  -3.973
  144   HH21  ARG  17          1HH2      ARG  17   2.387   4.707  -7.020
  145   HH22  ARG  17          2HH2      ARG  17   1.516   4.835  -5.564
  146    H    SER  18           HN       SER  18   8.824   2.742  -4.638
  147    HA   SER  18           HA       SER  18   9.109   0.040  -3.933
  148    HB2  SER  18          2HB       SER  18  11.068   2.300  -3.529
  149    HB3  SER  18          1HB       SER  18  11.445   0.575  -3.626
  150    HG   SER  18           HG       SER  18  10.738   2.378  -5.624
  151    H    ASN  19           HN       ASN  19   8.862   2.999  -2.018
  152    HA   ASN  19           HA       ASN  19   9.529   1.759   0.472
  153    HB2  ASN  19          2HB       ASN  19   8.107   4.358  -0.140
  154    HB3  ASN  19          1HB       ASN  19   8.487   3.827   1.492
  155   HD21  ASN  19          1HD2      ASN  19  10.584   3.892   2.193
  156   HD22  ASN  19          2HD2      ASN  19  11.842   4.715   1.364
  157    H    CYS  20           HN       CYS  20   6.543   2.640  -1.113
  158    HA   CYS  20           HA       CYS  20   4.701   1.796   0.827
  159    HB2  CYS  20          2HB       CYS  20   4.141   3.222  -1.103
  160    HB3  CYS  20          1HB       CYS  20   4.505   1.913  -2.202
  161    H    ALA  21           HN       ALA  21   6.063   0.088  -1.994
  162    HA   ALA  21           HA       ALA  21   4.793  -2.369  -1.480
  163    HB1  ALA  21          1HB       ALA  21   7.324  -1.853  -3.039
  164    HB2  ALA  21          2HB       ALA  21   5.688  -1.762  -3.689
  165    HB3  ALA  21          3HB       ALA  21   6.326  -3.305  -3.119
  166    H    ASN  22           HN       ASN  22   7.964  -1.072  -0.546
  167    HA   ASN  22           HA       ASN  22   9.021  -3.413   0.521
  168    HB2  ASN  22          2HB       ASN  22  10.475  -1.530   0.190
  169    HB3  ASN  22          1HB       ASN  22   9.541  -0.544   1.303
  170   HD21  ASN  22          1HD2      ASN  22  10.024  -0.601   3.445
  171   HD22  ASN  22          2HD2      ASN  22  11.237  -1.615   4.131
  172    H    VAL  23           HN       VAL  23   7.130  -0.917   2.174
  173    HA   VAL  23           HA       VAL  23   7.205  -2.179   4.694
  174    HB   VAL  23           HB       VAL  23   5.139  -0.244   3.569
  175   HG11  VAL  23          1HG1      VAL  23   4.192  -1.496   5.456
  176   HG12  VAL  23          2HG1      VAL  23   4.491   0.179   5.909
  177   HG13  VAL  23          3HG1      VAL  23   5.599  -1.088   6.435
  178   HG21  VAL  23          1HG2      VAL  23   7.367   0.714   3.677
  179   HG22  VAL  23          2HG2      VAL  23   7.534   0.190   5.350
  180   HG23  VAL  23          3HG2      VAL  23   6.353   1.428   4.935
  181    H    CYS  24           HN       CYS  24   4.759  -2.228   2.104
  182    HA   CYS  24           HA       CYS  24   3.115  -4.037   3.454
  183    HB2  CYS  24          2HB       CYS  24   3.335  -3.291   0.560
  184    HB3  CYS  24          1HB       CYS  24   2.117  -4.424   1.132
  185    H    ARG  25           HN       ARG  25   5.825  -4.611   1.301
  186    HA   ARG  25           HA       ARG  25   5.346  -7.378   1.056
  187    HB2  ARG  25          2HB       ARG  25   6.673  -6.106  -0.568
  188    HB3  ARG  25          1HB       ARG  25   7.912  -5.850   0.647
  189    HG2  ARG  25          2HG       ARG  25   8.472  -8.165   0.668
  190    HG3  ARG  25          1HG       ARG  25   7.067  -8.556  -0.330
  191    HD2  ARG  25          2HD       ARG  25   9.368  -6.814  -1.189
  192    HD3  ARG  25          1HD       ARG  25   9.161  -8.511  -1.632
  193    HE   ARG  25           HE       ARG  25   6.926  -7.654  -2.572
  194   HH11  ARG  25          1HH1      ARG  25   9.893  -5.729  -2.605
  195   HH12  ARG  25          2HH1      ARG  25   9.537  -4.947  -4.065
  196   HH21  ARG  25          1HH2      ARG  25   6.443  -6.607  -4.527
  197   HH22  ARG  25          2HH2      ARG  25   7.501  -5.454  -5.219
  198    H    THR  26           HN       THR  26   7.348  -5.492   3.327
  199    HA   THR  26           HA       THR  26   8.373  -7.853   4.532
  200    HB   THR  26           HB       THR  26   9.471  -5.531   4.783
  201    HG1  THR  26          1HG       THR  26   8.957  -6.950   7.196
  202   HG21  THR  26          1HG2      THR  26   8.705  -4.100   6.628
  203   HG22  THR  26          2HG2      THR  26   7.328  -5.172   6.882
  204   HG23  THR  26          3HG2      THR  26   7.462  -4.253   5.385
  205    H    GLU  27           HN       GLU  27   5.436  -6.047   4.820
  206    HA   GLU  27           HA       GLU  27   4.529  -7.492   7.114
  207    HB2  GLU  27          2HB       GLU  27   3.203  -5.578   5.226
  208    HB3  GLU  27          1HB       GLU  27   2.299  -6.428   6.475
  209    HG2  GLU  27          2HG       GLU  27   4.661  -4.628   6.948
  210    HG3  GLU  27          1HG       GLU  27   2.967  -4.188   7.182
  211    H    GLY  28           HN       GLY  28   5.069  -8.638   4.118
  212    HA2  GLY  28          2HA       GLY  28   4.605 -10.907   3.660
  213    HA3  GLY  28          1HA       GLY  28   3.144 -10.786   4.624
  214    H    PHE  29           HN       PHE  29   3.415  -8.192   2.519
  215    HA   PHE  29           HA       PHE  29   1.412  -9.424   0.808
  216    HB2  PHE  29          2HB       PHE  29   2.179  -6.555   1.278
  217    HB3  PHE  29          1HB       PHE  29   1.036  -7.045   0.029
  218    HD1  PHE  29          1HD       PHE  29   1.634  -6.811   3.636
  219    HD2  PHE  29          2HD       PHE  29  -1.113  -7.794   0.573
  220    HE1  PHE  29          1HE       PHE  29  -0.170  -6.845   5.291
  221    HE2  PHE  29          2HE       PHE  29  -2.941  -7.839   2.209
  222    HZ   PHE  29           HZ       PHE  29  -2.481  -7.359   4.580
  223    HA   PRO  30           HA       PRO  30   4.088  -9.576  -2.824
  224    HB2  PRO  30          2HB       PRO  30   1.826  -8.243  -4.240
  225    HB3  PRO  30          1HB       PRO  30   2.694  -9.720  -4.670
  226    HG2  PRO  30          2HG       PRO  30   0.242  -9.828  -3.642
  227    HG3  PRO  30          1HG       PRO  30   1.476 -11.023  -3.195
  228    HD2  PRO  30          2HD       PRO  30   0.428  -8.704  -1.641
  229    HD3  PRO  30          1HD       PRO  30   0.955 -10.303  -1.078
  230    H    GLY  31           HN       GLY  31   2.071  -6.635  -2.451
  231    HA2  GLY  31          2HA       GLY  31   4.343  -4.924  -2.440
  232    HA3  GLY  31          1HA       GLY  31   3.492  -4.866  -3.979
  233    H    GLY  32           HN       GLY  32   3.185  -2.600  -3.334
  234    HA2  GLY  32          2HA       GLY  32   0.656  -2.313  -1.932
  235    HA3  GLY  32          1HA       GLY  32   2.029  -1.397  -1.312
  236    H    ARG  33           HN       ARG  33  -0.535  -0.613  -2.664
  237    HA   ARG  33           HA       ARG  33   0.686   1.083  -4.713
  238    HB2  ARG  33          2HB       ARG  33  -1.198   0.810  -6.210
  239    HB3  ARG  33          1HB       ARG  33  -0.537  -0.771  -5.843
  240    HG2  ARG  33          2HG       ARG  33  -2.356  -1.183  -4.285
  241    HG3  ARG  33          1HG       ARG  33  -2.999   0.430  -4.597
  242    HD2  ARG  33          2HD       ARG  33  -4.242  -1.173  -5.910
  243    HD3  ARG  33          1HD       ARG  33  -3.258  -0.183  -6.984
  244    HE   ARG  33           HE       ARG  33  -1.832  -2.471  -6.283
  245   HH11  ARG  33          1HH1      ARG  33  -4.695  -1.593  -8.223
  246   HH12  ARG  33          2HH1      ARG  33  -4.512  -2.882  -9.311
  247   HH21  ARG  33          1HH2      ARG  33  -1.597  -4.229  -7.833
  248   HH22  ARG  33          2HH2      ARG  33  -2.715  -4.393  -9.091
  249    H    CYS  34           HN       CYS  34  -1.132   2.807  -5.328
  250    HA   CYS  34           HA       CYS  34  -1.860   4.019  -2.794
  251    HB2  CYS  34          2HB       CYS  34  -1.895   5.085  -5.620
  252    HB3  CYS  34          1HB       CYS  34  -2.349   6.011  -4.193
  253    H    ARG  35           HN       ARG  35  -3.932   4.585  -2.267
  254    HA   ARG  35           HA       ARG  35  -6.098   4.057  -4.095
  255    HB2  ARG  35          2HB       ARG  35  -5.748   1.847  -2.963
  256    HB3  ARG  35          1HB       ARG  35  -6.017   2.633  -1.416
  257    HG2  ARG  35          2HG       ARG  35  -8.298   3.193  -2.087
  258    HG3  ARG  35          1HG       ARG  35  -8.034   2.422  -3.648
  259    HD2  ARG  35          2HD       ARG  35  -7.579   0.293  -2.470
  260    HD3  ARG  35          1HD       ARG  35  -7.974   1.085  -0.946
  261    HE   ARG  35           HE       ARG  35 -10.003   1.217  -2.998
  262   HH11  ARG  35          1HH1      ARG  35  -8.869  -0.563  -0.140
  263   HH12  ARG  35          2HH1      ARG  35 -10.372  -1.285   0.163
  264   HH21  ARG  35          1HH2      ARG  35 -12.035   0.189  -2.585
  265   HH22  ARG  35          2HH2      ARG  35 -12.228  -0.866  -1.256
  266    H    GLY  36           HN       GLY  36  -5.112   4.843  -0.804
  267    HA2  GLY  36          2HA       GLY  36  -7.273   6.533  -0.216
  268    HA3  GLY  36          1HA       GLY  36  -5.698   6.546   0.574
  269    H    PHE  37           HN       PHE  37  -7.690   8.532  -0.780
  270    HA   PHE  37           HA       PHE  37  -6.412   9.730  -2.963
  271    HB2  PHE  37          2HB       PHE  37  -8.784  10.042  -2.464
  272    HB3  PHE  37          1HB       PHE  37  -8.375  10.932  -1.004
  273    HD1  PHE  37          1HD       PHE  37  -8.059  13.243  -1.085
  274    HD2  PHE  37          2HD       PHE  37  -8.019  10.987  -4.689
  275    HE1  PHE  37          1HE       PHE  37  -7.995  15.321  -2.380
  276    HE2  PHE  37          2HE       PHE  37  -7.962  13.060  -5.988
  277    HZ   PHE  37           HZ       PHE  37  -7.948  15.239  -4.831
  278    H    ARG  38           HN       ARG  38  -5.815  10.027   0.412
  279    HA   ARG  38           HA       ARG  38  -4.346  12.507   0.188
  280    HB2  ARG  38          2HB       ARG  38  -4.504  10.563   2.503
  281    HB3  ARG  38          1HB       ARG  38  -3.831  12.182   2.562
  282    HG2  ARG  38          2HG       ARG  38  -6.016  13.133   2.077
  283    HG3  ARG  38          1HG       ARG  38  -6.713  11.517   1.980
  284    HD2  ARG  38          2HD       ARG  38  -7.214  12.428   4.132
  285    HD3  ARG  38          1HD       ARG  38  -6.017  11.157   4.345
  286    HE   ARG  38           HE       ARG  38  -4.565  13.450   4.105
  287   HH11  ARG  38          1HH1      ARG  38  -7.115  12.373   6.315
  288   HH12  ARG  38          2HH1      ARG  38  -6.607  13.353   7.607
  289   HH21  ARG  38          1HH2      ARG  38  -3.859  14.795   5.902
  290   HH22  ARG  38          2HH2      ARG  38  -4.715  14.749   7.365
  291    H    ARG  39           HN       ARG  39  -3.657   9.853  -1.188
  292    HA   ARG  39           HA       ARG  39  -1.848   8.818  -2.004
  293    HB2  ARG  39          2HB       ARG  39  -0.264  11.000  -0.616
  294    HB3  ARG  39          1HB       ARG  39   0.421   9.823  -1.718
  295    HG2  ARG  39          2HG       ARG  39  -1.628  11.923  -2.421
  296    HG3  ARG  39          1HG       ARG  39   0.096  11.987  -2.778
  297    HD2  ARG  39          2HD       ARG  39  -0.198   9.885  -4.119
  298    HD3  ARG  39          1HD       ARG  39  -1.937  10.061  -3.874
  299    HE   ARG  39           HE       ARG  39  -0.949  12.470  -4.854
  300   HH11  ARG  39          1HH1      ARG  39  -1.550   9.194  -6.086
  301   HH12  ARG  39          2HH1      ARG  39  -1.616   9.723  -7.713
  302   HH21  ARG  39          1HH2      ARG  39  -1.080  13.116  -7.048
  303   HH22  ARG  39          2HH2      ARG  39  -1.366  11.950  -8.263
  304    H    ARG  40           HN       ARG  40  -2.954   7.658   0.043
  305    HA   ARG  40           HA       ARG  40  -0.757   6.930   1.817
  306    HB2  ARG  40          2HB       ARG  40  -3.732   6.626   2.180
  307    HB3  ARG  40          1HB       ARG  40  -2.563   5.849   3.244
  308    HG2  ARG  40          2HG       ARG  40  -1.627   8.042   3.814
  309    HG3  ARG  40          1HG       ARG  40  -2.811   8.815   2.763
  310    HD2  ARG  40          2HD       ARG  40  -4.612   7.999   4.150
  311    HD3  ARG  40          1HD       ARG  40  -3.469   7.117   5.166
  312    HE   ARG  40           HE       ARG  40  -2.594   9.668   5.271
  313   HH11  ARG  40          1HH1      ARG  40  -5.760   8.201   5.843
  314   HH12  ARG  40          2HH1      ARG  40  -6.216   9.273   7.079
  315   HH21  ARG  40          1HH2      ARG  40  -3.219  11.169   7.030
  316   HH22  ARG  40          2HH2      ARG  40  -4.731  10.979   7.787
  317    H    CYS  41           HN       CYS  41  -0.266   4.783   2.249
  318    HA   CYS  41           HA       CYS  41  -0.259   3.283  -0.215
  319    HB2  CYS  41          2HB       CYS  41   1.821   3.656   1.014
  320    HB3  CYS  41          1HB       CYS  41   1.160   2.828   2.410
  321    H    PHE  42           HN       PHE  42  -1.368   1.546  -0.634
  322    HA   PHE  42           HA       PHE  42  -2.684   0.141   1.556
  323    HB2  PHE  42          2HB       PHE  42  -3.709   0.795  -1.202
  324    HB3  PHE  42          1HB       PHE  42  -4.314  -0.561  -0.260
  325    HD1  PHE  42          1HD       PHE  42  -3.573   3.042   0.488
  326    HD2  PHE  42          2HD       PHE  42  -6.349  -0.173   0.647
  327    HE1  PHE  42          1HE       PHE  42  -5.213   4.503   1.590
  328    HE2  PHE  42          2HE       PHE  42  -7.983   1.287   1.744
  329    HZ   PHE  42           HZ       PHE  42  -7.416   3.622   2.222
  330    H    CYS  43           HN       CYS  43  -2.043  -1.794   1.757
  331    HA   CYS  43           HA       CYS  43  -0.093  -2.954   0.093
  332    HB2  CYS  43          2HB       CYS  43  -1.757  -4.145   2.310
  333    HB3  CYS  43          1HB       CYS  43  -0.323  -4.882   1.600
  334    H    THR  44           HN       THR  44  -0.306  -4.293  -1.537
  335    HA   THR  44           HA       THR  44  -2.960  -4.795  -2.555
  336    HB   THR  44           HB       THR  44  -0.226  -5.237  -3.769
  337    HG1  THR  44          1HG       THR  44  -1.502  -3.025  -3.182
  338   HG21  THR  44          1HG2      THR  44  -1.456  -5.216  -5.895
  339   HG22  THR  44          2HG2      THR  44  -2.973  -5.048  -5.013
  340   HG23  THR  44          3HG2      THR  44  -2.016  -6.520  -4.850
  341    H    THR  45           HN       THR  45  -3.856  -6.738  -2.276
  342    HA   THR  45           HA       THR  45  -2.146  -9.066  -2.023
  343    HB   THR  45           HB       THR  45  -2.971  -8.446   0.240
  344    HG1  THR  45          1HG       THR  45  -2.870 -10.743  -0.593
  345   HG21  THR  45          1HG2      THR  45  -5.348  -8.592   0.814
  346   HG22  THR  45          2HG2      THR  45  -5.732  -8.897  -0.876
  347   HG23  THR  45          3HG2      THR  45  -5.072  -7.331  -0.394
  348    H    HIS  46           HN       HIS  46  -3.462 -11.014  -2.557
  349    HA   HIS  46           HA       HIS  46  -5.237 -10.291  -4.769
  350    HB2  HIS  46          2HB       HIS  46  -3.392 -12.666  -4.501
  351    HB3  HIS  46          1HB       HIS  46  -4.534 -12.449  -5.818
  352    HD1  HIS  46          1HD       HIS  46  -1.071 -11.949  -5.097
  353    HD2  HIS  46          2HD       HIS  46  -3.970  -9.842  -7.199
  354    HE1  HIS  46          1HE       HIS  46   0.180 -10.375  -6.591
  355    H    CYS  47           HN       CYS  47  -7.233 -10.870  -4.618
  356    HA   CYS  47           HA       CYS  47  -7.979 -12.736  -2.580
  357    HB2  CYS  47          2HB       CYS  47  -9.605 -10.770  -4.176
  358    HB3  CYS  47          1HB       CYS  47 -10.308 -11.912  -3.037
  Start of MODEL   12
    1    H1   ARG   1          1HT       ARG   1 -11.768 -10.399  -8.142
    2    H2   ARG   1          2HT       ARG   1 -10.899 -10.697  -6.718
    3    H3   ARG   1          3HT       ARG   1 -10.114 -10.718  -8.190
    4    HA   ARG   1           HA       ARG   1 -10.523  -8.358  -8.492
    5    HB2  ARG   1          2HB       ARG   1 -11.437  -8.513  -5.604
    6    HB3  ARG   1          1HB       ARG   1 -11.329  -7.066  -6.589
    7    HG2  ARG   1          2HG       ARG   1 -13.157  -7.913  -7.997
    8    HG3  ARG   1          1HG       ARG   1 -13.263  -9.344  -6.969
    9    HD2  ARG   1          2HD       ARG   1 -13.682  -7.830  -5.027
   10    HD3  ARG   1          1HD       ARG   1 -13.758  -6.483  -6.159
   11    HE   ARG   1           HE       ARG   1 -15.509  -8.516  -6.971
   12   HH11  ARG   1          1HH1      ARG   1 -15.251  -5.927  -4.589
   13   HH12  ARG   1          2HH1      ARG   1 -16.914  -5.901  -4.224
   14   HH21  ARG   1          1HH2      ARG   1 -17.770  -8.460  -6.513
   15   HH22  ARG   1          2HH2      ARG   1 -18.396  -7.351  -5.386
   16    H    THR   2           HN       THR   2  -8.923  -6.844  -7.381
   17    HA   THR   2           HA       THR   2  -7.007  -8.435  -5.896
   18    HB   THR   2           HB       THR   2  -5.491  -6.476  -6.361
   19    HG1  THR   2          1HG       THR   2  -6.175  -5.262  -8.265
   20   HG21  THR   2          1HG2      THR   2  -4.997  -7.224  -8.668
   21   HG22  THR   2          2HG2      THR   2  -6.564  -8.033  -8.718
   22   HG23  THR   2          3HG2      THR   2  -5.332  -8.578  -7.587
   23    H    CYS   3           HN       CYS   3  -7.221  -8.275  -3.846
   24    HA   CYS   3           HA       CYS   3  -8.748  -6.228  -2.588
   25    HB2  CYS   3          2HB       CYS   3  -7.055  -8.367  -1.340
   26    HB3  CYS   3          1HB       CYS   3  -8.350  -7.471  -0.558
   27    H    GLN   4           HN       GLN   4  -7.977  -4.411  -2.011
   28    HA   GLN   4           HA       GLN   4  -5.107  -4.154  -1.443
   29    HB2  GLN   4          2HB       GLN   4  -6.961  -2.100  -2.655
   30    HB3  GLN   4          1HB       GLN   4  -5.261  -1.850  -2.296
   31    HG2  GLN   4          2HG       GLN   4  -4.647  -3.574  -3.836
   32    HG3  GLN   4          1HG       GLN   4  -6.350  -3.868  -4.211
   33   HE21  GLN   4          1HE2      GLN   4  -6.151  -3.384  -6.348
   34   HE22  GLN   4          2HE2      GLN   4  -5.861  -1.790  -6.940
   35    H    SER   5           HN       SER   5  -4.658  -3.733   0.513
   36    HA   SER   5           HA       SER   5  -6.627  -2.389   2.224
   37    HB2  SER   5          2HB       SER   5  -4.544  -4.441   3.006
   38    HB3  SER   5          1HB       SER   5  -5.825  -3.774   4.020
   39    HG   SER   5           HG       SER   5  -6.019  -5.935   2.820
   40    H    GLN   6           HN       GLN   6  -5.841  -0.589   3.232
   41    HA   GLN   6           HA       GLN   6  -3.338   0.445   2.374
   42    HB2  GLN   6          2HB       GLN   6  -3.859   2.395   3.741
   43    HB3  GLN   6          1HB       GLN   6  -5.217   1.929   2.733
   44    HG2  GLN   6          2HG       GLN   6  -6.218   0.813   4.710
   45    HG3  GLN   6          1HG       GLN   6  -4.900   1.463   5.685
   46   HE21  GLN   6          1HE2      GLN   6  -7.759   2.162   3.922
   47   HE22  GLN   6          2HE2      GLN   6  -7.978   3.778   4.494
   48    H    SER   7           HN       SER   7  -1.437   0.533   3.292
   49    HA   SER   7           HA       SER   7  -0.964  -1.088   5.573
   50    HB2  SER   7          2HB       SER   7   0.713  -1.012   3.806
   51    HB3  SER   7          1HB       SER   7   0.896   0.729   4.020
   52    HG   SER   7           HG       SER   7   1.615  -1.370   5.787
   53    H    HIS   8           HN       HIS   8  -1.220  -0.487   7.500
   54    HA   HIS   8           HA       HIS   8  -1.772   2.172   8.359
   55    HB2  HIS   8          2HB       HIS   8  -2.761   0.110   9.339
   56    HB3  HIS   8          1HB       HIS   8  -1.148  -0.316   9.898
   57    HD1  HIS   8          1HD       HIS   8  -4.157   1.603  10.921
   58    HD2  HIS   8          2HD       HIS   8  -0.153   1.340  12.021
   59    HE1  HIS   8          1HE       HIS   8  -3.980   2.695  13.178
   60    H    ARG   9           HN       ARG   9   1.013   0.081   8.289
   61    HA   ARG   9           HA       ARG   9   2.453   1.798  10.141
   62    HB2  ARG   9          2HB       ARG   9   4.198   0.098  10.152
   63    HB3  ARG   9          1HB       ARG   9   2.628  -0.605  10.501
   64    HG2  ARG   9          2HG       ARG   9   2.488  -1.425   8.208
   65    HG3  ARG   9          1HG       ARG   9   4.064  -0.710   7.865
   66    HD2  ARG   9          2HD       ARG   9   4.404  -3.023   8.300
   67    HD3  ARG   9          1HD       ARG   9   5.009  -2.119   9.686
   68    HE   ARG   9           HE       ARG   9   2.293  -3.139   9.872
   69   HH11  ARG   9          1HH1      ARG   9   5.694  -3.563  10.780
   70   HH12  ARG   9          2HH1      ARG   9   5.346  -4.713  11.988
   71   HH21  ARG   9          1HH2      ARG   9   1.860  -4.718  11.502
   72   HH22  ARG   9          2HH2      ARG   9   3.132  -5.385  12.411
   73    H    PHE  10           HN       PHE  10   1.872   1.914   6.967
   74    HA   PHE  10           HA       PHE  10   4.426   2.495   5.896
   75    HB2  PHE  10          2HB       PHE  10   2.543   1.905   4.453
   76    HB3  PHE  10          1HB       PHE  10   1.667   3.330   4.985
   77    HD1  PHE  10          1HD       PHE  10   1.619   5.074   3.502
   78    HD2  PHE  10          2HD       PHE  10   5.029   2.547   3.586
   79    HE1  PHE  10          1HE       PHE  10   2.633   6.379   1.703
   80    HE2  PHE  10          2HE       PHE  10   6.043   3.831   1.809
   81    HZ   PHE  10           HZ       PHE  10   4.852   5.760   0.834
   82    H    ARG  11           HN       ARG  11   5.461   4.453   5.632
   83    HA   ARG  11           HA       ARG  11   4.524   6.571   7.453
   84    HB2  ARG  11          2HB       ARG  11   7.317   6.125   6.446
   85    HB3  ARG  11          1HB       ARG  11   6.802   7.124   7.794
   86    HG2  ARG  11          2HG       ARG  11   6.143   5.110   9.022
   87    HG3  ARG  11          1HG       ARG  11   6.675   4.147   7.637
   88    HD2  ARG  11          2HD       ARG  11   8.944   5.019   7.895
   89    HD3  ARG  11          1HD       ARG  11   8.420   5.960   9.292
   90    HE   ARG  11           HE       ARG  11   7.715   3.369   9.793
   91   HH11  ARG  11          1HH1      ARG  11  10.738   5.103   9.217
   92   HH12  ARG  11          2HH1      ARG  11  11.677   4.062  10.188
   93   HH21  ARG  11          1HH2      ARG  11   8.970   1.966  11.118
   94   HH22  ARG  11          2HH2      ARG  11  10.642   2.227  11.321
   95    H    GLY  12           HN       GLY  12   3.909   8.419   6.446
   96    HA2  GLY  12          2HA       GLY  12   4.240  10.266   5.116
   97    HA3  GLY  12          1HA       GLY  12   5.519   9.410   4.270
   98    HA   PRO  13           HA       PRO  13   1.903   9.376   1.499
   99    HB2  PRO  13          2HB       PRO  13   2.872  10.773  -0.515
  100    HB3  PRO  13          1HB       PRO  13   2.306  11.569   0.960
  101    HG2  PRO  13          2HG       PRO  13   5.096  11.062   0.040
  102    HG3  PRO  13          1HG       PRO  13   4.449  12.439   0.945
  103    HD2  PRO  13          2HD       PRO  13   5.802  10.212   2.023
  104    HD3  PRO  13          1HD       PRO  13   4.888  11.428   2.934
  105    H    CYS  14           HN       CYS  14   1.570   8.282  -0.422
  106    HA   CYS  14           HA       CYS  14   3.235   6.049  -0.916
  107    HB2  CYS  14          2HB       CYS  14   0.762   6.016  -1.013
  108    HB3  CYS  14          1HB       CYS  14   0.810   7.042  -2.432
  109    H    LEU  15           HN       LEU  15   3.914   9.066  -1.883
  110    HA   LEU  15           HA       LEU  15   4.500   8.675  -4.657
  111    HB2  LEU  15          2HB       LEU  15   5.416  10.779  -2.696
  112    HB3  LEU  15          1HB       LEU  15   6.011  10.730  -4.338
  113    HG   LEU  15           HG       LEU  15   3.630  11.023  -5.120
  114   HD11  LEU  15          1HD1      LEU  15   2.488  10.267  -3.084
  115   HD12  LEU  15          2HD1      LEU  15   1.971  11.869  -3.604
  116   HD13  LEU  15          3HD1      LEU  15   3.083  11.707  -2.248
  117   HD21  LEU  15          1HD2      LEU  15   4.805  13.192  -3.394
  118   HD22  LEU  15          2HD2      LEU  15   3.578  13.421  -4.640
  119   HD23  LEU  15          3HD2      LEU  15   5.193  12.870  -5.085
  120    H    ARG  16           HN       ARG  16   5.935   7.724  -1.815
  121    HA   ARG  16           HA       ARG  16   8.475   7.082  -3.071
  122    HB2  ARG  16          2HB       ARG  16   7.418   6.796  -0.263
  123    HB3  ARG  16          1HB       ARG  16   8.955   6.115  -0.769
  124    HG2  ARG  16          2HG       ARG  16   8.307   9.046  -0.994
  125    HG3  ARG  16          1HG       ARG  16   9.084   8.324   0.418
  126    HD2  ARG  16          2HD       ARG  16  10.142   8.219  -2.413
  127    HD3  ARG  16          1HD       ARG  16  10.739   9.271  -1.128
  128    HE   ARG  16           HE       ARG  16  10.796   6.674  -0.162
  129   HH11  ARG  16          1HH1      ARG  16  12.421   8.426  -2.754
  130   HH12  ARG  16          2HH1      ARG  16  13.877   7.554  -2.631
  131   HH21  ARG  16          1HH2      ARG  16  12.728   5.465   0.002
  132   HH22  ARG  16          2HH2      ARG  16  14.065   5.814  -0.993
  133    H    ARG  17           HN       ARG  17   7.933   5.566  -4.520
  134    HA   ARG  17           HA       ARG  17   5.989   3.543  -4.138
  135    HB2  ARG  17          2HB       ARG  17   6.731   4.399  -6.367
  136    HB3  ARG  17          1HB       ARG  17   8.261   3.571  -6.130
  137    HG2  ARG  17          2HG       ARG  17   7.085   1.429  -6.017
  138    HG3  ARG  17          1HG       ARG  17   5.558   2.266  -6.283
  139    HD2  ARG  17          2HD       ARG  17   6.281   1.330  -8.341
  140    HD3  ARG  17          1HD       ARG  17   6.448   3.082  -8.450
  141    HE   ARG  17           HE       ARG  17   8.895   2.552  -7.837
  142   HH11  ARG  17          1HH1      ARG  17   6.804   0.531  -9.890
  143   HH12  ARG  17          2HH1      ARG  17   8.082  -0.153 -10.767
  144   HH21  ARG  17          1HH2      ARG  17  10.674   1.606  -9.093
  145   HH22  ARG  17          2HH2      ARG  17  10.315   0.517 -10.355
  146    H    SER  18           HN       SER  18   9.456   3.685  -3.716
  147    HA   SER  18           HA       SER  18  10.005   0.978  -3.427
  148    HB2  SER  18          2HB       SER  18  11.975   1.943  -2.148
  149    HB3  SER  18          1HB       SER  18  11.760   2.507  -3.810
  150    HG   SER  18           HG       SER  18  12.120   4.250  -2.472
  151    H    ASN  19           HN       ASN  19   9.276   3.485  -1.087
  152    HA   ASN  19           HA       ASN  19   9.363   1.848   1.200
  153    HB2  ASN  19          2HB       ASN  19   7.964   4.493   0.758
  154    HB3  ASN  19          1HB       ASN  19   8.080   3.690   2.321
  155   HD21  ASN  19          1HD2      ASN  19  10.032   3.657   3.379
  156   HD22  ASN  19          2HD2      ASN  19  11.361   4.649   2.915
  157    H    CYS  20           HN       CYS  20   6.735   2.765  -0.930
  158    HA   CYS  20           HA       CYS  20   4.624   1.631   0.535
  159    HB2  CYS  20          2HB       CYS  20   4.248   3.207  -1.290
  160    HB3  CYS  20          1HB       CYS  20   4.947   2.087  -2.442
  161    H    ALA  21           HN       ALA  21   6.419   0.239  -2.247
  162    HA   ALA  21           HA       ALA  21   5.153  -2.274  -2.089
  163    HB1  ALA  21          1HB       ALA  21   6.294  -1.446  -4.106
  164    HB2  ALA  21          2HB       ALA  21   6.869  -3.040  -3.618
  165    HB3  ALA  21          3HB       ALA  21   7.842  -1.609  -3.278
  166    H    ASN  22           HN       ASN  22   8.057  -0.990  -0.560
  167    HA   ASN  22           HA       ASN  22   8.841  -3.559   0.365
  168    HB2  ASN  22          2HB       ASN  22  10.504  -1.757   0.016
  169    HB3  ASN  22          1HB       ASN  22   9.808  -0.884   1.375
  170   HD21  ASN  22          1HD2      ASN  22  10.342  -1.525   3.484
  171   HD22  ASN  22          2HD2      ASN  22  11.501  -2.771   3.775
  172    H    VAL  23           HN       VAL  23   6.913  -0.922   1.813
  173    HA   VAL  23           HA       VAL  23   6.919  -2.188   4.342
  174    HB   VAL  23           HB       VAL  23   6.243   0.246   4.032
  175   HG11  VAL  23          1HG1      VAL  23   3.918   0.788   3.517
  176   HG12  VAL  23          2HG1      VAL  23   3.627  -0.898   3.105
  177   HG13  VAL  23          3HG1      VAL  23   4.755   0.059   2.143
  178   HG21  VAL  23          1HG2      VAL  23   4.316  -1.494   5.564
  179   HG22  VAL  23          2HG2      VAL  23   4.506   0.234   5.787
  180   HG23  VAL  23          3HG2      VAL  23   5.849  -0.850   6.151
  181    H    CYS  24           HN       CYS  24   4.753  -2.356   1.573
  182    HA   CYS  24           HA       CYS  24   2.975  -4.203   2.653
  183    HB2  CYS  24          2HB       CYS  24   3.885  -3.721  -0.175
  184    HB3  CYS  24          1HB       CYS  24   2.538  -4.776   0.205
  185    H    ARG  25           HN       ARG  25   6.055  -4.647   1.003
  186    HA   ARG  25           HA       ARG  25   6.090  -7.439   0.917
  187    HB2  ARG  25          2HB       ARG  25   7.630  -5.914  -0.303
  188    HB3  ARG  25          1HB       ARG  25   8.418  -5.549   1.220
  189    HG2  ARG  25          2HG       ARG  25   9.129  -7.876   1.412
  190    HG3  ARG  25          1HG       ARG  25   8.337  -8.247  -0.121
  191    HD2  ARG  25          2HD       ARG  25  10.608  -6.307   0.308
  192    HD3  ARG  25          1HD       ARG  25  10.705  -7.879  -0.487
  193    HE   ARG  25           HE       ARG  25   9.081  -6.880  -2.121
  194   HH11  ARG  25          1HH1      ARG  25  11.600  -4.947  -0.484
  195   HH12  ARG  25          2HH1      ARG  25  11.576  -3.723  -1.676
  196   HH21  ARG  25          1HH2      ARG  25   9.148  -5.181  -3.749
  197   HH22  ARG  25          2HH2      ARG  25  10.199  -3.858  -3.540
  198    H    THR  26           HN       THR  26   7.256  -5.168   3.425
  199    HA   THR  26           HA       THR  26   8.218  -7.224   5.105
  200    HB   THR  26           HB       THR  26   8.304  -5.505   6.914
  201    HG1  THR  26          1HG       THR  26   6.561  -4.163   5.285
  202   HG21  THR  26          1HG2      THR  26   9.979  -4.067   5.853
  203   HG22  THR  26          2HG2      THR  26   9.412  -4.580   4.265
  204   HG23  THR  26          3HG2      THR  26  10.174  -5.745   5.344
  205    H    GLU  27           HN       GLU  27   5.032  -5.849   4.692
  206    HA   GLU  27           HA       GLU  27   4.117  -7.069   7.099
  207    HB2  GLU  27          2HB       GLU  27   2.614  -5.712   4.882
  208    HB3  GLU  27          1HB       GLU  27   1.809  -6.453   6.256
  209    HG2  GLU  27          2HG       GLU  27   3.361  -4.947   7.668
  210    HG3  GLU  27          1HG       GLU  27   3.571  -4.044   6.167
  211    H    GLY  28           HN       GLY  28   4.608  -8.145   3.942
  212    HA2  GLY  28          2HA       GLY  28   4.633 -10.542   3.632
  213    HA3  GLY  28          1HA       GLY  28   3.237 -10.641   4.693
  214    H    PHE  29           HN       PHE  29   3.253  -8.106   2.394
  215    HA   PHE  29           HA       PHE  29   1.208  -9.524   0.892
  216    HB2  PHE  29          2HB       PHE  29   1.748  -6.565   1.175
  217    HB3  PHE  29          1HB       PHE  29   0.485  -7.260   0.162
  218    HD1  PHE  29          1HD       PHE  29  -1.036  -8.990   1.464
  219    HD2  PHE  29          2HD       PHE  29   1.119  -5.807   3.255
  220    HE1  PHE  29          1HE       PHE  29  -2.588  -9.023   3.339
  221    HE2  PHE  29          2HE       PHE  29  -0.429  -5.824   5.162
  222    HZ   PHE  29           HZ       PHE  29  -2.294  -7.430   5.216
  223    HA   PRO  30           HA       PRO  30   3.907  -9.826  -2.537
  224    HB2  PRO  30          2HB       PRO  30   2.042  -9.880  -4.555
  225    HB3  PRO  30          1HB       PRO  30   2.458 -11.263  -3.539
  226    HG2  PRO  30          2HG       PRO  30   0.140  -9.392  -3.337
  227    HG3  PRO  30          1HG       PRO  30   0.195 -11.142  -3.070
  228    HD2  PRO  30          2HD       PRO  30   0.145  -9.361  -1.033
  229    HD3  PRO  30          1HD       PRO  30   0.989 -10.912  -0.921
  230    H    GLY  31           HN       GLY  31   1.494  -7.195  -2.612
  231    HA2  GLY  31          2HA       GLY  31   3.496  -5.546  -3.933
  232    HA3  GLY  31          1HA       GLY  31   2.008  -5.801  -4.833
  233    H    GLY  32           HN       GLY  32   2.648  -3.247  -4.301
  234    HA2  GLY  32          2HA       GLY  32   0.507  -2.471  -2.538
  235    HA3  GLY  32          1HA       GLY  32   2.118  -1.908  -2.088
  236    H    ARG  33           HN       ARG  33  -0.448  -0.655  -3.258
  237    HA   ARG  33           HA       ARG  33   0.955   1.009  -5.187
  238    HB2  ARG  33          2HB       ARG  33  -0.981   0.913  -6.752
  239    HB3  ARG  33          1HB       ARG  33  -0.072  -0.585  -6.635
  240    HG2  ARG  33          2HG       ARG  33  -1.786  -1.522  -5.171
  241    HG3  ARG  33          1HG       ARG  33  -2.693  -0.010  -5.263
  242    HD2  ARG  33          2HD       ARG  33  -1.983  -1.730  -7.632
  243    HD3  ARG  33          1HD       ARG  33  -3.529  -1.780  -6.792
  244    HE   ARG  33           HE       ARG  33  -3.799   0.578  -7.416
  245   HH11  ARG  33          1HH1      ARG  33  -1.612  -1.425  -9.354
  246   HH12  ARG  33          2HH1      ARG  33  -1.818  -0.544 -10.778
  247   HH21  ARG  33          1HH2      ARG  33  -4.112   1.781  -9.372
  248   HH22  ARG  33          2HH2      ARG  33  -3.293   1.352 -10.801
  249    H    CYS  34           HN       CYS  34  -0.225   2.995  -5.666
  250    HA   CYS  34           HA       CYS  34  -1.337   4.100  -3.271
  251    HB2  CYS  34          2HB       CYS  34  -1.109   5.329  -6.020
  252    HB3  CYS  34          1HB       CYS  34  -1.333   6.185  -4.500
  253    H    ARG  35           HN       ARG  35  -3.450   4.604  -2.892
  254    HA   ARG  35           HA       ARG  35  -5.376   4.419  -5.067
  255    HB2  ARG  35          2HB       ARG  35  -5.548   2.165  -4.321
  256    HB3  ARG  35          1HB       ARG  35  -5.490   2.641  -2.628
  257    HG2  ARG  35          2HG       ARG  35  -7.693   3.706  -2.863
  258    HG3  ARG  35          1HG       ARG  35  -7.751   3.190  -4.543
  259    HD2  ARG  35          2HD       ARG  35  -7.413   1.241  -2.291
  260    HD3  ARG  35          1HD       ARG  35  -9.000   1.798  -2.799
  261    HE   ARG  35           HE       ARG  35  -7.476   0.835  -4.993
  262   HH11  ARG  35          1HH1      ARG  35  -9.212  -0.339  -2.155
  263   HH12  ARG  35          2HH1      ARG  35  -9.839  -1.703  -2.946
  264   HH21  ARG  35          1HH2      ARG  35  -8.348  -1.015  -6.068
  265   HH22  ARG  35          2HH2      ARG  35  -9.349  -2.105  -5.245
  266    H    GLY  36           HN       GLY  36  -5.314   4.680  -1.541
  267    HA2  GLY  36          2HA       GLY  36  -7.605   6.188  -1.240
  268    HA3  GLY  36          1HA       GLY  36  -6.292   6.127  -0.081
  269    H    PHE  37           HN       PHE  37  -8.106   8.248  -1.109
  270    HA   PHE  37           HA       PHE  37  -6.863  10.158  -2.675
  271    HB2  PHE  37          2HB       PHE  37  -9.232  10.244  -2.020
  272    HB3  PHE  37          1HB       PHE  37  -8.765  10.615  -0.366
  273    HD1  PHE  37          1HD       PHE  37  -8.529  11.890  -3.844
  274    HD2  PHE  37          2HD       PHE  37  -8.510  12.840   0.306
  275    HE1  PHE  37          1HE       PHE  37  -8.580  14.284  -4.392
  276    HE2  PHE  37          2HE       PHE  37  -8.559  15.236  -0.247
  277    HZ   PHE  37           HZ       PHE  37  -8.593  15.955  -2.592
  278    H    ARG  38           HN       ARG  38  -6.433   9.487   0.722
  279    HA   ARG  38           HA       ARG  38  -4.871  11.812   1.350
  280    HB2  ARG  38          2HB       ARG  38  -5.254   9.187   2.790
  281    HB3  ARG  38          1HB       ARG  38  -4.274  10.496   3.424
  282    HG2  ARG  38          2HG       ARG  38  -6.220  11.944   3.518
  283    HG3  ARG  38          1HG       ARG  38  -7.219  10.676   2.803
  284    HD2  ARG  38          2HD       ARG  38  -6.863   9.250   4.712
  285    HD3  ARG  38          1HD       ARG  38  -5.704  10.392   5.386
  286    HE   ARG  38           HE       ARG  38  -7.845  11.914   5.251
  287   HH11  ARG  38          1HH1      ARG  38  -7.581   8.573   6.460
  288   HH12  ARG  38          2HH1      ARG  38  -8.800   8.776   7.631
  289   HH21  ARG  38          1HH2      ARG  38  -9.467  12.162   6.912
  290   HH22  ARG  38          2HH2      ARG  38  -9.876  10.839   7.910
  291    H    ARG  39           HN       ARG  39  -4.127   9.629  -0.758
  292    HA   ARG  39           HA       ARG  39  -2.293   8.976  -1.862
  293    HB2  ARG  39          2HB       ARG  39  -0.831  10.929  -0.059
  294    HB3  ARG  39          1HB       ARG  39  -0.139  10.165  -1.474
  295    HG2  ARG  39          2HG       ARG  39  -2.452  12.119  -1.465
  296    HG3  ARG  39          1HG       ARG  39  -0.793  12.488  -1.918
  297    HD2  ARG  39          2HD       ARG  39  -1.996  12.216  -3.952
  298    HD3  ARG  39          1HD       ARG  39  -1.042  10.748  -3.753
  299    HE   ARG  39           HE       ARG  39  -3.783  10.728  -2.801
  300   HH11  ARG  39          1HH1      ARG  39  -1.612   9.816  -5.483
  301   HH12  ARG  39          2HH1      ARG  39  -2.641   8.588  -6.062
  302   HH21  ARG  39          1HH2      ARG  39  -5.163   8.971  -3.668
  303   HH22  ARG  39          2HH2      ARG  39  -4.644   8.118  -5.031
  304    H    ARG  40           HN       ARG  40  -3.187   7.337  -0.018
  305    HA   ARG  40           HA       ARG  40  -0.915   6.455   1.558
  306    HB2  ARG  40          2HB       ARG  40  -3.828   5.813   1.699
  307    HB3  ARG  40          1HB       ARG  40  -2.647   4.787   2.496
  308    HG2  ARG  40          2HG       ARG  40  -1.811   6.822   3.675
  309    HG3  ARG  40          1HG       ARG  40  -3.177   7.703   2.990
  310    HD2  ARG  40          2HD       ARG  40  -4.735   6.325   4.145
  311    HD3  ARG  40          1HD       ARG  40  -3.464   5.207   4.646
  312    HE   ARG  40           HE       ARG  40  -3.187   7.953   5.499
  313   HH11  ARG  40          1HH1      ARG  40  -4.417   4.747   6.393
  314   HH12  ARG  40          2HH1      ARG  40  -4.198   4.991   8.060
  315   HH21  ARG  40          1HH2      ARG  40  -2.910   8.277   7.775
  316   HH22  ARG  40          2HH2      ARG  40  -3.305   7.048   8.879
  317    H    CYS  41           HN       CYS  41  -0.405   4.219   1.720
  318    HA   CYS  41           HA       CYS  41  -0.201   3.057  -0.934
  319    HB2  CYS  41          2HB       CYS  41   1.894   3.381   0.252
  320    HB3  CYS  41          1HB       CYS  41   1.273   2.529   1.657
  321    H    PHE  42           HN       PHE  42  -1.400   1.403  -1.470
  322    HA   PHE  42           HA       PHE  42  -2.738  -0.086   0.636
  323    HB2  PHE  42          2HB       PHE  42  -3.593   0.604  -2.151
  324    HB3  PHE  42          1HB       PHE  42  -4.272  -0.741  -1.238
  325    HD1  PHE  42          1HD       PHE  42  -3.479   2.836  -0.481
  326    HD2  PHE  42          2HD       PHE  42  -6.288  -0.340  -0.366
  327    HE1  PHE  42          1HE       PHE  42  -5.104   4.325   0.633
  328    HE2  PHE  42          2HE       PHE  42  -7.919   1.142   0.752
  329    HZ   PHE  42           HZ       PHE  42  -7.325   3.470   1.249
  330    H    CYS  43           HN       CYS  43  -1.986  -1.871   0.980
  331    HA   CYS  43           HA       CYS  43  -0.195  -3.213  -0.764
  332    HB2  CYS  43          2HB       CYS  43  -1.428  -4.004   1.869
  333    HB3  CYS  43          1HB       CYS  43  -0.148  -4.890   1.043
  334    H    THR  44           HN       THR  44  -0.744  -4.520  -2.248
  335    HA   THR  44           HA       THR  44  -3.486  -5.380  -2.537
  336    HB   THR  44           HB       THR  44  -1.128  -5.867  -4.365
  337    HG1  THR  44          1HG       THR  44  -2.311  -3.560  -3.661
  338   HG21  THR  44          1HG2      THR  44  -4.112  -5.699  -4.857
  339   HG22  THR  44          2HG2      THR  44  -3.170  -7.189  -4.816
  340   HG23  THR  44          3HG2      THR  44  -2.889  -6.001  -6.090
  341    H    THR  45           HN       THR  45  -4.019  -7.228  -1.669
  342    HA   THR  45           HA       THR  45  -1.958  -9.248  -1.202
  343    HB   THR  45           HB       THR  45  -2.930  -8.362   0.866
  344    HG1  THR  45          1HG       THR  45  -4.186 -10.581   1.314
  345   HG21  THR  45          1HG2      THR  45  -5.587  -9.310  -0.187
  346   HG22  THR  45          2HG2      THR  45  -5.094  -7.626   0.000
  347   HG23  THR  45          3HG2      THR  45  -5.293  -8.651   1.423
  348    H    HIS  46           HN       HIS  46  -2.842 -11.492  -1.292
  349    HA   HIS  46           HA       HIS  46  -4.298 -11.781  -3.765
  350    HB2  HIS  46          2HB       HIS  46  -2.316 -13.212  -3.276
  351    HB3  HIS  46          1HB       HIS  46  -3.192 -13.921  -1.925
  352    HD1  HIS  46          1HD       HIS  46  -4.425 -16.049  -2.478
  353    HD2  HIS  46          2HD       HIS  46  -3.687 -13.712  -5.830
  354    HE1  HIS  46          1HE       HIS  46  -5.219 -17.405  -4.448
  355    H    CYS  47           HN       CYS  47  -6.347 -12.361  -3.944
  356    HA   CYS  47           HA       CYS  47  -7.892 -12.533  -1.500
  357    HB2  CYS  47          2HB       CYS  47  -8.872 -12.318  -4.338
  358    HB3  CYS  47          1HB       CYS  47  -9.747 -11.937  -2.856
  Start of MODEL   13
    1    H1   ARG   1          1HT       ARG   1  -9.232 -11.042 -10.110
    2    H2   ARG   1          2HT       ARG   1  -7.592 -10.710  -9.903
    3    H3   ARG   1          3HT       ARG   1  -8.730  -9.491  -9.671
    4    HA   ARG   1           HA       ARG   1  -9.609 -10.594  -7.774
    5    HB2  ARG   1          2HB       ARG   1  -7.353 -12.551  -8.285
    6    HB3  ARG   1          1HB       ARG   1  -8.287 -12.473  -6.804
    7    HG2  ARG   1          2HG       ARG   1  -9.473 -13.035  -9.507
    8    HG3  ARG   1          1HG       ARG   1  -8.959 -14.276  -8.362
    9    HD2  ARG   1          2HD       ARG   1 -10.528 -13.450  -6.725
   10    HD3  ARG   1          1HD       ARG   1 -11.028 -12.151  -7.807
   11    HE   ARG   1           HE       ARG   1 -11.572 -14.171  -9.324
   12   HH11  ARG   1          1HH1      ARG   1 -12.120 -13.928  -5.829
   13   HH12  ARG   1          2HH1      ARG   1 -13.503 -14.902  -5.817
   14   HH21  ARG   1          1HH2      ARG   1 -13.510 -15.533  -9.319
   15   HH22  ARG   1          2HH2      ARG   1 -14.276 -15.862  -7.830
   16    H    THR   2           HN       THR   2  -9.033  -8.595  -7.070
   17    HA   THR   2           HA       THR   2  -6.395  -8.465  -5.853
   18    HB   THR   2           HB       THR   2  -7.753  -6.157  -7.168
   19    HG1  THR   2          1HG       THR   2  -5.668  -7.891  -8.110
   20   HG21  THR   2          1HG2      THR   2  -6.136  -5.567  -5.449
   21   HG22  THR   2          2HG2      THR   2  -5.523  -5.099  -7.035
   22   HG23  THR   2          3HG2      THR   2  -4.904  -6.549  -6.244
   23    H    CYS   3           HN       CYS   3  -6.387  -7.342  -4.009
   24    HA   CYS   3           HA       CYS   3  -8.832  -6.226  -2.874
   25    HB2  CYS   3          2HB       CYS   3  -7.053  -8.308  -1.558
   26    HB3  CYS   3          1HB       CYS   3  -8.380  -7.482  -0.742
   27    H    GLN   4           HN       GLN   4  -8.269  -4.407  -1.615
   28    HA   GLN   4           HA       GLN   4  -5.391  -4.020  -1.215
   29    HB2  GLN   4          2HB       GLN   4  -7.329  -1.942  -2.265
   30    HB3  GLN   4          1HB       GLN   4  -5.671  -1.613  -1.789
   31    HG2  GLN   4          2HG       GLN   4  -4.846  -3.068  -3.550
   32    HG3  GLN   4          1HG       GLN   4  -6.495  -3.488  -3.998
   33   HE21  GLN   4          1HE2      GLN   4  -4.030  -1.072  -4.109
   34   HE22  GLN   4          2HE2      GLN   4  -4.810  -0.053  -5.276
   35    H    SER   5           HN       SER   5  -4.934  -3.791   0.785
   36    HA   SER   5           HA       SER   5  -6.917  -2.646   2.592
   37    HB2  SER   5          2HB       SER   5  -5.625  -4.021   4.302
   38    HB3  SER   5          1HB       SER   5  -6.503  -4.971   3.103
   39    HG   SER   5           HG       SER   5  -3.826  -4.706   3.561
   40    H    GLN   6           HN       GLN   6  -6.203  -0.882   3.779
   41    HA   GLN   6           HA       GLN   6  -3.928   0.452   2.747
   42    HB2  GLN   6          2HB       GLN   6  -4.349   2.195   4.461
   43    HB3  GLN   6          1HB       GLN   6  -5.780   1.789   3.530
   44    HG2  GLN   6          2HG       GLN   6  -6.519   0.358   5.397
   45    HG3  GLN   6          1HG       GLN   6  -5.130   0.906   6.322
   46   HE21  GLN   6          1HE2      GLN   6  -5.369   3.659   5.229
   47   HE22  GLN   6          2HE2      GLN   6  -6.729   4.358   6.010
   48    H    SER   7           HN       SER   7  -1.882   0.701   3.449
   49    HA   SER   7           HA       SER   7  -0.730  -1.291   5.026
   50    HB2  SER   7          2HB       SER   7   0.586  -0.112   3.355
   51    HB3  SER   7          1HB       SER   7   0.331   1.423   4.183
   52    HG   SER   7           HG       SER   7   1.799  -0.832   5.108
   53    H    HIS   8           HN       HIS   8   0.085  -1.252   7.127
   54    HA   HIS   8           HA       HIS   8  -1.286   0.694   8.814
   55    HB2  HIS   8          2HB       HIS   8  -0.309  -2.087   9.356
   56    HB3  HIS   8          1HB       HIS   8  -0.648  -0.970  10.671
   57    HD1  HIS   8          1HD       HIS   8  -3.074  -0.785  11.390
   58    HD2  HIS   8          2HD       HIS   8  -2.604  -2.701   7.735
   59    HE1  HIS   8          1HE       HIS   8  -5.345  -1.635  10.773
   60    H    ARG   9           HN       ARG   9   1.816   0.026   7.660
   61    HA   ARG   9           HA       ARG   9   2.839   1.667   9.856
   62    HB2  ARG   9          2HB       ARG   9   4.748   0.254  10.234
   63    HB3  ARG   9          1HB       ARG   9   3.279  -0.691  10.391
   64    HG2  ARG   9          2HG       ARG   9   3.754  -1.305   7.900
   65    HG3  ARG   9          1HG       ARG   9   5.398  -0.810   8.301
   66    HD2  ARG   9          2HD       ARG   9   5.249  -3.156   8.680
   67    HD3  ARG   9          1HD       ARG   9   5.253  -2.394  10.286
   68    HE   ARG   9           HE       ARG   9   2.670  -2.875   9.093
   69   HH11  ARG   9          1HH1      ARG   9   5.119  -4.237  11.283
   70   HH12  ARG   9          2HH1      ARG   9   4.015  -5.356  11.960
   71   HH21  ARG   9          1HH2      ARG   9   1.261  -4.411  10.011
   72   HH22  ARG   9          2HH2      ARG   9   1.820  -5.459  11.249
   73    H    PHE  10           HN       PHE  10   2.401   1.756   6.711
   74    HA   PHE  10           HA       PHE  10   4.968   2.418   5.732
   75    HB2  PHE  10          2HB       PHE  10   3.129   1.849   4.203
   76    HB3  PHE  10          1HB       PHE  10   2.259   3.296   4.705
   77    HD1  PHE  10          1HD       PHE  10   5.422   2.181   3.139
   78    HD2  PHE  10          2HD       PHE  10   2.591   5.292   3.592
   79    HE1  PHE  10          1HE       PHE  10   6.578   3.477   1.416
   80    HE2  PHE  10          2HE       PHE  10   3.740   6.593   1.858
   81    HZ   PHE  10           HZ       PHE  10   5.737   5.686   0.768
   82    H    ARG  11           HN       ARG  11   6.024   4.294   5.574
   83    HA   ARG  11           HA       ARG  11   5.166   6.358   7.439
   84    HB2  ARG  11          2HB       ARG  11   7.526   7.054   7.421
   85    HB3  ARG  11          1HB       ARG  11   7.306   5.384   7.922
   86    HG2  ARG  11          2HG       ARG  11   7.969   4.655   5.666
   87    HG3  ARG  11          1HG       ARG  11   8.240   6.344   5.230
   88    HD2  ARG  11          2HD       ARG  11   9.891   6.518   7.023
   89    HD3  ARG  11          1HD       ARG  11   9.605   4.821   7.408
   90    HE   ARG  11           HE       ARG  11  10.358   5.303   4.684
   91   HH11  ARG  11          1HH1      ARG  11  11.579   4.689   7.943
   92   HH12  ARG  11          2HH1      ARG  11  13.035   3.976   7.420
   93   HH21  ARG  11          1HH2      ARG  11  12.371   4.378   3.947
   94   HH22  ARG  11          2HH2      ARG  11  13.494   3.811   5.093
   95    H    GLY  12           HN       GLY  12   4.507   8.264   6.767
   96    HA2  GLY  12          2HA       GLY  12   4.367  10.200   5.527
   97    HA3  GLY  12          1HA       GLY  12   5.648   9.580   4.501
   98    HA   PRO  13           HA       PRO  13   1.717   9.373   2.070
   99    HB2  PRO  13          2HB       PRO  13   2.506  10.917  -0.002
  100    HB3  PRO  13          1HB       PRO  13   1.798  11.607   1.461
  101    HG2  PRO  13          2HG       PRO  13   4.667  11.429   0.650
  102    HG3  PRO  13          1HG       PRO  13   3.804  12.769   1.426
  103    HD2  PRO  13          2HD       PRO  13   5.399  11.010   2.786
  104    HD3  PRO  13          1HD       PRO  13   4.029  11.857   3.520
  105    H    CYS  14           HN       CYS  14   1.438   8.313   0.080
  106    HA   CYS  14           HA       CYS  14   3.247   6.221  -0.478
  107    HB2  CYS  14          2HB       CYS  14   0.794   6.044  -0.642
  108    HB3  CYS  14          1HB       CYS  14   0.802   7.149  -2.000
  109    H    LEU  15           HN       LEU  15   3.913   9.218  -1.241
  110    HA   LEU  15           HA       LEU  15   4.362   9.384  -3.995
  111    HB2  LEU  15          2HB       LEU  15   5.833  10.654  -1.699
  112    HB3  LEU  15          1HB       LEU  15   6.145  11.047  -3.378
  113    HG   LEU  15           HG       LEU  15   3.489  11.436  -1.994
  114   HD11  LEU  15          1HD1      LEU  15   4.022  13.813  -2.093
  115   HD12  LEU  15          2HD1      LEU  15   5.615  13.431  -2.748
  116   HD13  LEU  15          3HD1      LEU  15   5.192  12.938  -1.108
  117   HD21  LEU  15          1HD2      LEU  15   2.968  12.758  -4.002
  118   HD22  LEU  15          2HD2      LEU  15   3.241  11.062  -4.371
  119   HD23  LEU  15          3HD2      LEU  15   4.500  12.253  -4.710
  120    H    ARG  16           HN       ARG  16   6.116   7.736  -1.531
  121    HA   ARG  16           HA       ARG  16   8.194   7.000  -3.446
  122    HB2  ARG  16          2HB       ARG  16   8.035   6.497  -0.463
  123    HB3  ARG  16          1HB       ARG  16   9.418   6.135  -1.484
  124    HG2  ARG  16          2HG       ARG  16   9.644   8.536  -1.987
  125    HG3  ARG  16          1HG       ARG  16   8.301   8.869  -0.903
  126    HD2  ARG  16          2HD       ARG  16   9.591   7.873   0.946
  127    HD3  ARG  16          1HD       ARG  16  10.946   7.630  -0.155
  128    HE   ARG  16           HE       ARG  16   9.861  10.207   0.724
  129   HH11  ARG  16          1HH1      ARG  16  12.527   8.347  -0.698
  130   HH12  ARG  16          2HH1      ARG  16  13.631   9.624  -0.645
  131   HH21  ARG  16          1HH2      ARG  16  11.406  11.969   0.796
  132   HH22  ARG  16          2HH2      ARG  16  12.994  11.723   0.219
  133    H    ARG  17           HN       ARG  17   6.949   5.627  -4.694
  134    HA   ARG  17           HA       ARG  17   5.127   3.746  -3.629
  135    HB2  ARG  17          2HB       ARG  17   6.329   3.766  -6.395
  136    HB3  ARG  17          1HB       ARG  17   4.880   2.909  -5.898
  137    HG2  ARG  17          2HG       ARG  17   3.818   5.096  -5.393
  138    HG3  ARG  17          1HG       ARG  17   5.251   5.899  -6.033
  139    HD2  ARG  17          2HD       ARG  17   3.308   4.132  -7.527
  140    HD3  ARG  17          1HD       ARG  17   3.599   5.847  -7.755
  141    HE   ARG  17           HE       ARG  17   5.997   4.451  -8.164
  142   HH11  ARG  17          1HH1      ARG  17   2.899   4.963  -9.754
  143   HH12  ARG  17          2HH1      ARG  17   3.473   4.644 -11.329
  144   HH21  ARG  17          1HH2      ARG  17   6.788   4.015 -10.245
  145   HH22  ARG  17          2HH2      ARG  17   5.789   4.126 -11.636
  146    H    SER  18           HN       SER  18   8.499   3.472  -4.614
  147    HA   SER  18           HA       SER  18   8.672   0.673  -4.627
  148    HB2  SER  18          2HB       SER  18  10.869   2.568  -3.762
  149    HB3  SER  18          1HB       SER  18  11.039   0.988  -4.525
  150    HG   SER  18           HG       SER  18  10.330   1.794  -6.425
  151    H    ASN  19           HN       ASN  19   9.041   3.086  -2.062
  152    HA   ASN  19           HA       ASN  19   9.713   1.230  -0.028
  153    HB2  ASN  19          2HB       ASN  19  10.173   3.680   0.170
  154    HB3  ASN  19          1HB       ASN  19   8.443   3.965   0.320
  155   HD21  ASN  19          1HD2      ASN  19  10.383   1.363   1.748
  156   HD22  ASN  19          2HD2      ASN  19  10.051   1.768   3.392
  157    H    CYS  20           HN       CYS  20   6.687   2.624  -1.187
  158    HA   CYS  20           HA       CYS  20   4.914   1.678   0.741
  159    HB2  CYS  20          2HB       CYS  20   4.198   3.262  -0.966
  160    HB3  CYS  20          1HB       CYS  20   4.518   2.094  -2.237
  161    H    ALA  21           HN       ALA  21   5.897   0.121  -2.291
  162    HA   ALA  21           HA       ALA  21   4.540  -2.305  -1.843
  163    HB1  ALA  21          1HB       ALA  21   5.399  -1.625  -4.052
  164    HB2  ALA  21          2HB       ALA  21   5.982  -3.225  -3.588
  165    HB3  ALA  21          3HB       ALA  21   7.049  -1.825  -3.461
  166    H    ASN  22           HN       ASN  22   7.846  -1.297  -1.071
  167    HA   ASN  22           HA       ASN  22   8.744  -3.726  -0.028
  168    HB2  ASN  22          2HB       ASN  22  10.355  -2.024  -0.509
  169    HB3  ASN  22          1HB       ASN  22   9.582  -0.898   0.598
  170   HD21  ASN  22          1HD2      ASN  22  10.066  -0.994   2.773
  171   HD22  ASN  22          2HD2      ASN  22  11.266  -2.043   3.415
  172    H    VAL  23           HN       VAL  23   7.118  -1.048   1.637
  173    HA   VAL  23           HA       VAL  23   7.291  -2.211   4.199
  174    HB   VAL  23           HB       VAL  23   5.351  -0.119   3.143
  175   HG11  VAL  23          1HG1      VAL  23   5.800  -1.010   5.999
  176   HG12  VAL  23          2HG1      VAL  23   4.350  -1.320   5.046
  177   HG13  VAL  23          3HG1      VAL  23   4.776   0.332   5.487
  178   HG21  VAL  23          1HG2      VAL  23   7.669   0.609   3.229
  179   HG22  VAL  23          2HG2      VAL  23   7.797   0.052   4.895
  180   HG23  VAL  23          3HG2      VAL  23   6.748   1.410   4.507
  181    H    CYS  24           HN       CYS  24   4.644  -2.185   1.834
  182    HA   CYS  24           HA       CYS  24   2.983  -3.894   3.261
  183    HB2  CYS  24          2HB       CYS  24   3.245  -3.314   0.327
  184    HB3  CYS  24          1HB       CYS  24   2.017  -4.414   0.912
  185    H    ARG  25           HN       ARG  25   5.574  -4.617   1.028
  186    HA   ARG  25           HA       ARG  25   5.326  -7.383   0.981
  187    HB2  ARG  25          2HB       ARG  25   6.688  -6.331  -0.653
  188    HB3  ARG  25          1HB       ARG  25   7.616  -5.480   0.552
  189    HG2  ARG  25          2HG       ARG  25   7.794  -8.449   0.401
  190    HG3  ARG  25          1HG       ARG  25   8.641  -7.466  -0.798
  191    HD2  ARG  25          2HD       ARG  25   9.723  -6.230   1.062
  192    HD3  ARG  25          1HD       ARG  25   8.943  -7.323   2.197
  193    HE   ARG  25           HE       ARG  25  10.207  -9.056   0.701
  194   HH11  ARG  25          1HH1      ARG  25  11.398  -5.927   1.886
  195   HH12  ARG  25          2HH1      ARG  25  12.985  -6.459   2.157
  196   HH21  ARG  25          1HH2      ARG  25  12.424  -9.784   1.011
  197   HH22  ARG  25          2HH2      ARG  25  13.601  -8.698   1.601
  198    H    THR  26           HN       THR  26   7.036  -5.301   3.308
  199    HA   THR  26           HA       THR  26   7.907  -7.562   4.797
  200    HB   THR  26           HB       THR  26   8.472  -5.825   6.609
  201    HG1  THR  26          1HG       THR  26   6.925  -4.245   5.272
  202   HG21  THR  26          1HG2      THR  26  10.122  -6.708   5.022
  203   HG22  THR  26          2HG2      THR  26  10.417  -5.009   5.377
  204   HG23  THR  26          3HG2      THR  26   9.659  -5.470   3.853
  205    H    GLU  27           HN       GLU  27   4.983  -5.733   4.752
  206    HA   GLU  27           HA       GLU  27   4.092  -6.764   7.279
  207    HB2  GLU  27          2HB       GLU  27   2.460  -5.432   5.079
  208    HB3  GLU  27          1HB       GLU  27   1.896  -5.786   6.712
  209    HG2  GLU  27          2HG       GLU  27   3.683  -4.293   7.575
  210    HG3  GLU  27          1HG       GLU  27   4.032  -3.837   5.911
  211    H    GLY  28           HN       GLY  28   4.419  -7.961   4.191
  212    HA2  GLY  28          2HA       GLY  28   4.339 -10.316   3.890
  213    HA3  GLY  28          1HA       GLY  28   2.955 -10.380   4.966
  214    H    PHE  29           HN       PHE  29   2.889  -7.848   2.683
  215    HA   PHE  29           HA       PHE  29   0.905  -9.365   1.202
  216    HB2  PHE  29          2HB       PHE  29   1.278  -6.404   1.576
  217    HB3  PHE  29          1HB       PHE  29   0.124  -7.099   0.440
  218    HD1  PHE  29          1HD       PHE  29   0.543  -5.903   3.718
  219    HD2  PHE  29          2HD       PHE  29  -1.451  -8.894   1.464
  220    HE1  PHE  29          1HE       PHE  29  -1.144  -6.130   5.501
  221    HE2  PHE  29          2HE       PHE  29  -3.137  -9.112   3.204
  222    HZ   PHE  29           HZ       PHE  29  -2.991  -7.732   5.250
  223    HA   PRO  30           HA       PRO  30   3.450  -9.682  -2.319
  224    HB2  PRO  30          2HB       PRO  30   1.503  -9.495  -4.280
  225    HB3  PRO  30          1HB       PRO  30   1.939 -10.968  -3.415
  226    HG2  PRO  30          2HG       PRO  30  -0.325  -9.091  -2.950
  227    HG3  PRO  30          1HG       PRO  30  -0.291 -10.856  -2.814
  228    HD2  PRO  30          2HD       PRO  30  -0.230  -9.256  -0.654
  229    HD3  PRO  30          1HD       PRO  30   0.654 -10.794  -0.700
  230    H    GLY  31           HN       GLY  31   0.967  -7.100  -2.607
  231    HA2  GLY  31          2HA       GLY  31   3.055  -5.535  -3.967
  232    HA3  GLY  31          1HA       GLY  31   1.395  -5.555  -4.544
  233    H    GLY  32           HN       GLY  32   2.401  -3.175  -4.070
  234    HA2  GLY  32          2HA       GLY  32   0.763  -2.191  -1.948
  235    HA3  GLY  32          1HA       GLY  32   2.491  -1.969  -1.664
  236    H    ARG  33           HN       ARG  33  -0.072  -0.384  -2.733
  237    HA   ARG  33           HA       ARG  33   1.502   1.313  -4.452
  238    HB2  ARG  33          2HB       ARG  33  -0.071   1.242  -6.317
  239    HB3  ARG  33          1HB       ARG  33   0.646  -0.337  -6.036
  240    HG2  ARG  33          2HG       ARG  33  -1.401  -1.043  -4.888
  241    HG3  ARG  33          1HG       ARG  33  -2.110   0.540  -5.206
  242    HD2  ARG  33          2HD       ARG  33  -1.218  -1.483  -7.249
  243    HD3  ARG  33          1HD       ARG  33  -2.883  -1.052  -6.854
  244    HE   ARG  33           HE       ARG  33  -1.029   0.967  -7.878
  245   HH11  ARG  33          1HH1      ARG  33  -4.015  -0.918  -8.321
  246   HH12  ARG  33          2HH1      ARG  33  -4.544  -0.028  -9.651
  247   HH21  ARG  33          1HH2      ARG  33  -1.776   2.195  -9.727
  248   HH22  ARG  33          2HH2      ARG  33  -3.237   1.788 -10.485
  249    H    CYS  34           HN       CYS  34  -0.056   3.145  -5.277
  250    HA   CYS  34           HA       CYS  34  -1.186   4.255  -2.884
  251    HB2  CYS  34          2HB       CYS  34  -1.021   5.429  -5.666
  252    HB3  CYS  34          1HB       CYS  34  -1.297   6.297  -4.158
  253    H    ARG  35           HN       ARG  35  -3.240   4.024  -2.391
  254    HA   ARG  35           HA       ARG  35  -5.221   3.660  -4.566
  255    HB2  ARG  35          2HB       ARG  35  -4.922   1.524  -3.440
  256    HB3  ARG  35          1HB       ARG  35  -5.157   2.284  -1.881
  257    HG2  ARG  35          2HG       ARG  35  -7.121   1.010  -2.492
  258    HG3  ARG  35          1HG       ARG  35  -7.509   2.729  -2.470
  259    HD2  ARG  35          2HD       ARG  35  -7.350   2.832  -4.855
  260    HD3  ARG  35          1HD       ARG  35  -6.823   1.147  -4.929
  261    HE   ARG  35           HE       ARG  35  -9.320   1.348  -3.635
  262   HH11  ARG  35          1HH1      ARG  35  -7.898   1.567  -6.863
  263   HH12  ARG  35          2HH1      ARG  35  -9.271   0.983  -7.680
  264   HH21  ARG  35          1HH2      ARG  35 -11.217   0.572  -4.728
  265   HH22  ARG  35          2HH2      ARG  35 -11.219   0.405  -6.431
  266    H    GLY  36           HN       GLY  36  -4.554   4.885  -1.365
  267    HA2  GLY  36          2HA       GLY  36  -7.101   6.092  -1.003
  268    HA3  GLY  36          1HA       GLY  36  -5.645   6.454  -0.084
  269    H    PHE  37           HN       PHE  37  -7.727   8.155  -1.336
  270    HA   PHE  37           HA       PHE  37  -6.846   9.496  -3.627
  271    HB2  PHE  37          2HB       PHE  37  -8.276  10.898  -1.387
  272    HB3  PHE  37          1HB       PHE  37  -8.454  11.121  -3.120
  273    HD1  PHE  37          1HD       PHE  37  -9.409   9.035  -4.418
  274    HD2  PHE  37          2HD       PHE  37  -9.822   9.720  -0.244
  275    HE1  PHE  37          1HE       PHE  37 -11.357   7.524  -4.360
  276    HE2  PHE  37          2HE       PHE  37 -11.725   8.247  -0.157
  277    HZ   PHE  37           HZ       PHE  37 -12.530   7.116  -2.227
  278    H    ARG  38           HN       ARG  38  -6.122   9.878  -0.255
  279    HA   ARG  38           HA       ARG  38  -4.644  12.350  -0.557
  280    HB2  ARG  38          2HB       ARG  38  -5.037  10.536   1.817
  281    HB3  ARG  38          1HB       ARG  38  -4.323  12.137   1.845
  282    HG2  ARG  38          2HG       ARG  38  -6.429  13.138   1.201
  283    HG3  ARG  38          1HG       ARG  38  -7.156  11.537   1.029
  284    HD2  ARG  38          2HD       ARG  38  -5.982  12.582   3.589
  285    HD3  ARG  38          1HD       ARG  38  -7.691  12.683   3.170
  286    HE   ARG  38           HE       ARG  38  -6.710  10.043   2.915
  287   HH11  ARG  38          1HH1      ARG  38  -7.639  12.369   5.378
  288   HH12  ARG  38          2HH1      ARG  38  -8.284  11.219   6.458
  289   HH21  ARG  38          1HH2      ARG  38  -7.551   8.428   4.411
  290   HH22  ARG  38          2HH2      ARG  38  -8.197   8.926   5.903
  291    H    ARG  39           HN       ARG  39  -3.808   9.755  -1.820
  292    HA   ARG  39           HA       ARG  39  -1.915   8.642  -2.356
  293    HB2  ARG  39          2HB       ARG  39  -0.578  10.837  -0.770
  294    HB3  ARG  39          1HB       ARG  39   0.281   9.647  -1.732
  295    HG2  ARG  39          2HG       ARG  39  -0.697  10.496  -3.742
  296    HG3  ARG  39          1HG       ARG  39  -1.722  11.607  -2.819
  297    HD2  ARG  39          2HD       ARG  39   0.238  12.740  -1.985
  298    HD3  ARG  39          1HD       ARG  39   1.280  11.597  -2.823
  299    HE   ARG  39           HE       ARG  39  -0.004  12.533  -4.870
  300   HH11  ARG  39          1HH1      ARG  39   1.002  14.455  -2.041
  301   HH12  ARG  39          2HH1      ARG  39   1.420  15.813  -2.973
  302   HH21  ARG  39          1HH2      ARG  39   0.542  14.397  -6.095
  303   HH22  ARG  39          2HH2      ARG  39   1.132  15.799  -5.332
  304    H    ARG  40           HN       ARG  40  -3.298   7.492  -0.443
  305    HA   ARG  40           HA       ARG  40  -1.429   6.846   1.693
  306    HB2  ARG  40          2HB       ARG  40  -3.733   7.241   2.397
  307    HB3  ARG  40          1HB       ARG  40  -4.301   6.000   1.297
  308    HG2  ARG  40          2HG       ARG  40  -4.314   5.126   3.550
  309    HG3  ARG  40          1HG       ARG  40  -3.073   4.301   2.615
  310    HD2  ARG  40          2HD       ARG  40  -1.364   5.734   3.624
  311    HD3  ARG  40          1HD       ARG  40  -2.608   6.565   4.562
  312    HE   ARG  40           HE       ARG  40  -2.206   3.672   4.851
  313   HH11  ARG  40          1HH1      ARG  40  -2.005   6.904   6.302
  314   HH12  ARG  40          2HH1      ARG  40  -1.888   6.329   7.898
  315   HH21  ARG  40          1HH2      ARG  40  -2.031   2.906   7.103
  316   HH22  ARG  40          2HH2      ARG  40  -1.925   4.052   8.351
  317    H    CYS  41           HN       CYS  41  -0.238   5.138   1.674
  318    HA   CYS  41           HA       CYS  41  -0.093   3.354  -0.500
  319    HB2  CYS  41          2HB       CYS  41   1.852   3.917   0.863
  320    HB3  CYS  41          1HB       CYS  41   1.094   3.208   2.279
  321    H    PHE  42           HN       PHE  42  -1.208   1.597  -0.896
  322    HA   PHE  42           HA       PHE  42  -2.597   0.238   1.286
  323    HB2  PHE  42          2HB       PHE  42  -3.529   0.891  -1.479
  324    HB3  PHE  42          1HB       PHE  42  -4.099  -0.567  -0.692
  325    HD1  PHE  42          1HD       PHE  42  -6.200  -0.391   0.152
  326    HD2  PHE  42          2HD       PHE  42  -3.675   3.031   0.306
  327    HE1  PHE  42          1HE       PHE  42  -8.007   0.880   1.192
  328    HE2  PHE  42          2HE       PHE  42  -5.509   4.312   1.366
  329    HZ   PHE  42           HZ       PHE  42  -7.665   3.235   1.806
  330    H    CYS  43           HN       CYS  43  -2.293  -1.810   1.438
  331    HA   CYS  43           HA       CYS  43  -0.242  -3.000  -0.129
  332    HB2  CYS  43          2HB       CYS  43  -1.900  -4.003   2.182
  333    HB3  CYS  43          1HB       CYS  43  -0.501  -4.825   1.492
  334    H    THR  44           HN       THR  44  -0.623  -4.183  -1.772
  335    HA   THR  44           HA       THR  44  -3.361  -4.732  -2.516
  336    HB   THR  44           HB       THR  44  -0.785  -4.943  -4.085
  337    HG1  THR  44          1HG       THR  44  -1.807  -2.842  -3.136
  338   HG21  THR  44          1HG2      THR  44  -3.676  -4.809  -4.971
  339   HG22  THR  44          2HG2      THR  44  -2.655  -6.246  -5.030
  340   HG23  THR  44          3HG2      THR  44  -2.276  -4.849  -6.040
  341    H    THR  45           HN       THR  45  -4.040  -6.593  -1.745
  342    HA   THR  45           HA       THR  45  -2.187  -8.834  -1.637
  343    HB   THR  45           HB       THR  45  -2.963  -8.153   0.565
  344    HG1  THR  45          1HG       THR  45  -3.853 -10.188   1.230
  345   HG21  THR  45          1HG2      THR  45  -5.173  -7.197  -0.089
  346   HG22  THR  45          2HG2      THR  45  -5.250  -8.291   1.290
  347   HG23  THR  45          3HG2      THR  45  -5.758  -8.858  -0.295
  348    H    HIS  46           HN       HIS  46  -3.088 -10.857  -2.167
  349    HA   HIS  46           HA       HIS  46  -5.265 -10.604  -4.113
  350    HB2  HIS  46          2HB       HIS  46  -2.924 -12.537  -4.144
  351    HB3  HIS  46          1HB       HIS  46  -4.283 -12.614  -5.262
  352    HD1  HIS  46          1HD       HIS  46  -0.933 -11.520  -5.338
  353    HD2  HIS  46          2HD       HIS  46  -4.545  -9.806  -6.490
  354    HE1  HIS  46          1HE       HIS  46  -0.351  -9.695  -6.968
  355    H    CYS  47           HN       CYS  47  -7.074 -11.333  -3.326
  356    HA   CYS  47           HA       CYS  47  -7.053 -13.046  -1.107
  357    HB2  CYS  47          2HB       CYS  47  -9.356 -11.958  -2.719
  358    HB3  CYS  47          1HB       CYS  47  -9.521 -12.859  -1.212
  Start of MODEL   14
    1    H1   ARG   1          1HT       ARG   1 -11.457 -11.170  -7.223
    2    H2   ARG   1          2HT       ARG   1 -11.110  -9.533  -7.077
    3    H3   ARG   1          3HT       ARG   1 -10.938 -10.551  -5.763
    4    HA   ARG   1           HA       ARG   1  -9.183 -11.741  -6.777
    5    HB2  ARG   1          2HB       ARG   1  -9.854 -11.628  -9.081
    6    HB3  ARG   1          1HB       ARG   1  -9.656  -9.883  -9.109
    7    HG2  ARG   1          2HG       ARG   1  -7.252 -10.128  -8.831
    8    HG3  ARG   1          1HG       ARG   1  -7.426 -11.880  -8.744
    9    HD2  ARG   1          2HD       ARG   1  -6.697 -11.082 -10.965
   10    HD3  ARG   1          1HD       ARG   1  -8.223 -11.958 -11.018
   11    HE   ARG   1           HE       ARG   1  -8.336  -9.053 -10.843
   12   HH11  ARG   1          1HH1      ARG   1  -8.577 -11.911 -12.909
   13   HH12  ARG   1          2HH1      ARG   1  -9.459 -11.122 -14.131
   14   HH21  ARG   1          1HH2      ARG   1  -9.597  -7.994 -12.484
   15   HH22  ARG   1          2HH2      ARG   1 -10.093  -8.867 -13.864
   16    H    THR   2           HN       THR   2  -9.164  -8.204  -7.636
   17    HA   THR   2           HA       THR   2  -6.643  -8.047  -6.309
   18    HB   THR   2           HB       THR   2  -6.829  -5.636  -7.121
   19    HG1  THR   2          1HG       THR   2  -8.490  -5.110  -8.330
   20   HG21  THR   2          1HG2      THR   2  -5.428  -7.304  -8.208
   21   HG22  THR   2          2HG2      THR   2  -6.172  -6.252  -9.407
   22   HG23  THR   2          3HG2      THR   2  -6.805  -7.878  -9.145
   23    H    CYS   3           HN       CYS   3  -6.553  -7.679  -4.252
   24    HA   CYS   3           HA       CYS   3  -8.640  -6.015  -3.071
   25    HB2  CYS   3          2HB       CYS   3  -7.157  -8.361  -1.870
   26    HB3  CYS   3          1HB       CYS   3  -8.276  -7.336  -0.978
   27    H    GLN   4           HN       GLN   4  -7.959  -4.341  -1.924
   28    HA   GLN   4           HA       GLN   4  -5.084  -4.118  -1.475
   29    HB2  GLN   4          2HB       GLN   4  -6.957  -1.906  -2.331
   30    HB3  GLN   4          1HB       GLN   4  -5.292  -1.664  -1.841
   31    HG2  GLN   4          2HG       GLN   4  -4.588  -3.132  -3.689
   32    HG3  GLN   4          1HG       GLN   4  -6.270  -3.182  -4.232
   33   HE21  GLN   4          1HE2      GLN   4  -5.856  -2.175  -6.169
   34   HE22  GLN   4          2HE2      GLN   4  -5.413  -0.502  -6.273
   35    H    SER   5           HN       SER   5  -4.620  -3.982   0.512
   36    HA   SER   5           HA       SER   5  -6.637  -3.007   2.398
   37    HB2  SER   5          2HB       SER   5  -6.076  -5.411   2.631
   38    HB3  SER   5          1HB       SER   5  -4.380  -4.979   2.834
   39    HG   SER   5           HG       SER   5  -6.403  -4.984   4.624
   40    H    GLN   6           HN       GLN   6  -6.087  -1.269   3.522
   41    HA   GLN   6           HA       GLN   6  -3.975   0.394   2.838
   42    HB2  GLN   6          2HB       GLN   6  -6.026   1.147   3.922
   43    HB3  GLN   6          1HB       GLN   6  -5.573   0.296   5.389
   44    HG2  GLN   6          2HG       GLN   6  -3.605   1.768   5.591
   45    HG3  GLN   6          1HG       GLN   6  -4.163   2.655   4.172
   46   HE21  GLN   6          1HE2      GLN   6  -5.996   3.937   4.337
   47   HE22  GLN   6          2HE2      GLN   6  -6.635   4.402   5.866
   48    H    SER   7           HN       SER   7  -1.883   0.521   3.456
   49    HA   SER   7           HA       SER   7  -0.790  -1.370   5.274
   50    HB2  SER   7          2HB       SER   7   0.549  -0.503   3.384
   51    HB3  SER   7          1HB       SER   7   0.418   1.131   4.034
   52    HG   SER   7           HG       SER   7   1.499  -0.999   5.542
   53    H    HIS   8           HN       HIS   8  -0.206  -1.015   7.354
   54    HA   HIS   8           HA       HIS   8  -1.491   1.353   8.549
   55    HB2  HIS   8          2HB       HIS   8  -2.475  -0.856   9.099
   56    HB3  HIS   8          1HB       HIS   8  -0.940  -1.328   9.820
   57    HD1  HIS   8          1HD       HIS   8  -1.081  -1.198  12.303
   58    HD2  HIS   8          2HD       HIS   8  -3.405   1.697  10.444
   59    HE1  HIS   8          1HE       HIS   8  -2.146   0.135  14.163
   60    H    ARG   9           HN       ARG   9   1.486   0.086   7.895
   61    HA   ARG   9           HA       ARG   9   2.668   1.625  10.099
   62    HB2  ARG   9          2HB       ARG   9   4.600   0.015  10.033
   63    HB3  ARG   9          1HB       ARG   9   3.087  -0.657  10.618
   64    HG2  ARG   9          2HG       ARG   9   2.699  -1.667   8.423
   65    HG3  ARG   9          1HG       ARG   9   4.234  -1.010   7.865
   66    HD2  ARG   9          2HD       ARG   9   3.901  -2.947  10.156
   67    HD3  ARG   9          1HD       ARG   9   4.384  -3.386   8.519
   68    HE   ARG   9           HE       ARG   9   6.030  -1.377   9.678
   69   HH11  ARG   9          1HH1      ARG   9   5.504  -4.881   9.589
   70   HH12  ARG   9          2HH1      ARG   9   7.147  -5.240   9.907
   71   HH21  ARG   9          1HH2      ARG   9   8.211  -1.898  10.132
   72   HH22  ARG   9          2HH2      ARG   9   8.707  -3.531  10.235
   73    H    PHE  10           HN       PHE  10   2.008   2.172   7.230
   74    HA   PHE  10           HA       PHE  10   4.575   2.604   5.983
   75    HB2  PHE  10          2HB       PHE  10   2.659   1.921   4.617
   76    HB3  PHE  10          1HB       PHE  10   1.776   3.356   5.118
   77    HD1  PHE  10          1HD       PHE  10   4.826   2.248   3.342
   78    HD2  PHE  10          2HD       PHE  10   1.954   5.324   3.899
   79    HE1  PHE  10          1HE       PHE  10   5.785   3.473   1.457
   80    HE2  PHE  10          2HE       PHE  10   2.907   6.554   2.012
   81    HZ   PHE  10           HZ       PHE  10   4.824   5.636   0.780
   82    H    ARG  11           HN       ARG  11   5.514   4.571   5.573
   83    HA   ARG  11           HA       ARG  11   4.303   6.883   6.826
   84    HB2  ARG  11          2HB       ARG  11   6.576   7.588   7.626
   85    HB3  ARG  11          1HB       ARG  11   5.877   6.219   8.472
   86    HG2  ARG  11          2HG       ARG  11   7.276   4.721   7.127
   87    HG3  ARG  11          1HG       ARG  11   8.011   6.133   6.360
   88    HD2  ARG  11          2HD       ARG  11   8.831   6.910   8.464
   89    HD3  ARG  11          1HD       ARG  11   7.982   5.626   9.319
   90    HE   ARG  11           HE       ARG  11   9.741   4.579   7.388
   91   HH11  ARG  11          1HH1      ARG  11   9.794   6.185  10.535
   92   HH12  ARG  11          2HH1      ARG  11  11.115   5.309  11.154
   93   HH21  ARG  11          1HH2      ARG  11  11.660   3.400   8.202
   94   HH22  ARG  11          2HH2      ARG  11  12.222   3.719   9.769
   95    H    GLY  12           HN       GLY  12   4.299   8.602   5.610
   96    HA2  GLY  12          2HA       GLY  12   5.344  10.147   4.141
   97    HA3  GLY  12          1HA       GLY  12   6.172   8.795   3.373
   98    HA   PRO  13           HA       PRO  13   2.350   9.339   0.921
   99    HB2  PRO  13          2HB       PRO  13   3.383  10.282  -1.352
  100    HB3  PRO  13          1HB       PRO  13   3.098  11.348   0.027
  101    HG2  PRO  13          2HG       PRO  13   5.659  10.260  -1.015
  102    HG3  PRO  13          1HG       PRO  13   5.345  11.785  -0.176
  103    HD2  PRO  13          2HD       PRO  13   6.356   9.373   0.962
  104    HD3  PRO  13          1HD       PRO  13   5.880  10.843   1.826
  105    H    CYS  14           HN       CYS  14   1.597   7.882  -0.663
  106    HA   CYS  14           HA       CYS  14   3.031   5.461  -1.042
  107    HB2  CYS  14          2HB       CYS  14   1.150   4.807  -2.469
  108    HB3  CYS  14          1HB       CYS  14   0.580   5.560  -0.982
  109    H    LEU  15           HN       LEU  15   3.384   8.373  -2.530
  110    HA   LEU  15           HA       LEU  15   3.819   7.744  -5.234
  111    HB2  LEU  15          2HB       LEU  15   5.107   9.912  -3.580
  112    HB3  LEU  15          1HB       LEU  15   5.043   9.859  -5.330
  113    HG   LEU  15           HG       LEU  15   2.689  10.191  -3.471
  114   HD11  LEU  15          1HD1      LEU  15   4.055  12.100  -5.334
  115   HD12  LEU  15          2HD1      LEU  15   4.014  12.174  -3.570
  116   HD13  LEU  15          3HD1      LEU  15   2.534  12.407  -4.501
  117   HD21  LEU  15          1HD2      LEU  15   2.024   8.934  -5.453
  118   HD22  LEU  15          2HD2      LEU  15   2.777  10.145  -6.489
  119   HD23  LEU  15          3HD2      LEU  15   1.373  10.572  -5.511
  120    H    ARG  16           HN       ARG  16   5.757   7.423  -2.362
  121    HA   ARG  16           HA       ARG  16   8.072   6.546  -3.870
  122    HB2  ARG  16          2HB       ARG  16   7.515   6.329  -0.889
  123    HB3  ARG  16          1HB       ARG  16   9.049   5.996  -1.668
  124    HG2  ARG  16          2HG       ARG  16   9.218   8.370  -2.299
  125    HG3  ARG  16          1HG       ARG  16   7.697   8.682  -1.453
  126    HD2  ARG  16          2HD       ARG  16   8.727   7.801   0.619
  127    HD3  ARG  16          1HD       ARG  16  10.254   7.636  -0.238
  128    HE   ARG  16           HE       ARG  16   9.163  10.259  -0.389
  129   HH11  ARG  16          1HH1      ARG  16  11.209   8.114   1.557
  130   HH12  ARG  16          2HH1      ARG  16  11.942   9.356   2.444
  131   HH21  ARG  16          1HH2      ARG  16  10.153  12.004   0.879
  132   HH22  ARG  16          2HH2      ARG  16  11.318  11.629   2.062
  133    H    ARG  17           HN       ARG  17   7.087   4.964  -5.043
  134    HA   ARG  17           HA       ARG  17   5.341   3.011  -4.018
  135    HB2  ARG  17          2HB       ARG  17   5.435   3.759  -6.392
  136    HB3  ARG  17          1HB       ARG  17   6.953   2.897  -6.559
  137    HG2  ARG  17          2HG       ARG  17   5.848   0.782  -6.163
  138    HG3  ARG  17          1HG       ARG  17   4.321   1.611  -5.859
  139    HD2  ARG  17          2HD       ARG  17   5.857   1.604  -8.458
  140    HD3  ARG  17          1HD       ARG  17   4.364   0.721  -8.128
  141    HE   ARG  17           HE       ARG  17   3.937   3.426  -7.582
  142   HH11  ARG  17          1HH1      ARG  17   4.410   1.346 -10.427
  143   HH12  ARG  17          2HH1      ARG  17   3.670   2.415 -11.501
  144   HH21  ARG  17          1HH2      ARG  17   2.938   4.872  -9.045
  145   HH22  ARG  17          2HH2      ARG  17   2.773   4.491 -10.688
  146    H    SER  18           HN       SER  18   8.805   3.154  -4.398
  147    HA   SER  18           HA       SER  18   9.414   0.451  -4.046
  148    HB2  SER  18          2HB       SER  18  11.602   1.482  -3.194
  149    HB3  SER  18          1HB       SER  18  11.096   1.938  -4.824
  150    HG   SER  18           HG       SER  18  11.754   3.646  -3.198
  151    H    ASN  19           HN       ASN  19   9.179   3.116  -1.747
  152    HA   ASN  19           HA       ASN  19   9.579   1.584   0.606
  153    HB2  ASN  19          2HB       ASN  19   9.884   4.051   0.525
  154    HB3  ASN  19          1HB       ASN  19   8.151   4.245   0.312
  155   HD21  ASN  19          1HD2      ASN  19   8.000   5.493   2.193
  156   HD22  ASN  19          2HD2      ASN  19   8.096   4.810   3.760
  157    H    CYS  20           HN       CYS  20   6.715   2.645  -1.115
  158    HA   CYS  20           HA       CYS  20   4.702   1.756   0.613
  159    HB2  CYS  20          2HB       CYS  20   4.382   3.225  -1.382
  160    HB3  CYS  20          1HB       CYS  20   4.725   1.856  -2.416
  161    H    ALA  21           HN       ALA  21   6.265   0.041  -2.115
  162    HA   ALA  21           HA       ALA  21   4.901  -2.384  -1.738
  163    HB1  ALA  21          1HB       ALA  21   6.013  -1.791  -3.841
  164    HB2  ALA  21          2HB       ALA  21   6.580  -3.345  -3.226
  165    HB3  ALA  21          3HB       ALA  21   7.580  -1.905  -3.042
  166    H    ASN  22           HN       ASN  22   7.933  -1.137  -0.487
  167    HA   ASN  22           HA       ASN  22   8.771  -3.573   0.677
  168    HB2  ASN  22          2HB       ASN  22  10.394  -1.834   0.165
  169    HB3  ASN  22          1HB       ASN  22   9.637  -0.752   1.327
  170   HD21  ASN  22          1HD2      ASN  22  10.104  -0.982   3.497
  171   HD22  ASN  22          2HD2      ASN  22  11.293  -2.077   4.085
  172    H    VAL  23           HN       VAL  23   6.958  -0.833   2.027
  173    HA   VAL  23           HA       VAL  23   6.929  -1.953   4.635
  174    HB   VAL  23           HB       VAL  23   5.007   0.070   3.421
  175   HG11  VAL  23          1HG1      VAL  23   4.044  -1.105   5.369
  176   HG12  VAL  23          2HG1      VAL  23   4.383   0.581   5.736
  177   HG13  VAL  23          3HG1      VAL  23   5.479  -0.683   6.302
  178   HG21  VAL  23          1HG2      VAL  23   7.420   0.413   5.197
  179   HG22  VAL  23          2HG2      VAL  23   6.326   1.704   4.717
  180   HG23  VAL  23          3HG2      VAL  23   7.301   0.876   3.500
  181    H    CYS  24           HN       CYS  24   4.673  -2.093   1.917
  182    HA   CYS  24           HA       CYS  24   2.874  -3.783   3.197
  183    HB2  CYS  24          2HB       CYS  24   3.518  -3.358   0.294
  184    HB3  CYS  24          1HB       CYS  24   2.254  -4.469   0.819
  185    H    ARG  25           HN       ARG  25   5.885  -4.451   1.603
  186    HA   ARG  25           HA       ARG  25   5.779  -7.258   1.613
  187    HB2  ARG  25          2HB       ARG  25   7.479  -5.985   0.407
  188    HB3  ARG  25          1HB       ARG  25   8.121  -5.386   1.925
  189    HG2  ARG  25          2HG       ARG  25   8.769  -7.671   2.534
  190    HG3  ARG  25          1HG       ARG  25   8.159  -8.233   0.971
  191    HD2  ARG  25          2HD       ARG  25  10.371  -6.243   1.421
  192    HD3  ARG  25          1HD       ARG  25  10.548  -7.908   0.863
  193    HE   ARG  25           HE       ARG  25   8.944  -7.004  -0.988
  194   HH11  ARG  25          1HH1      ARG  25  11.783  -5.383   0.358
  195   HH12  ARG  25          2HH1      ARG  25  12.132  -4.516  -1.059
  196   HH21  ARG  25          1HH2      ARG  25   9.358  -5.775  -2.863
  197   HH22  ARG  25          2HH2      ARG  25  10.686  -4.720  -2.950
  198    H    THR  26           HN       THR  26   6.860  -4.911   4.070
  199    HA   THR  26           HA       THR  26   7.521  -6.946   5.920
  200    HB   THR  26           HB       THR  26   7.697  -5.114   7.622
  201    HG1  THR  26          1HG       THR  26   6.142  -3.755   5.862
  202   HG21  THR  26          1HG2      THR  26   9.008  -4.492   4.979
  203   HG22  THR  26          2HG2      THR  26   9.601  -5.644   6.168
  204   HG23  THR  26          3HG2      THR  26   9.549  -3.925   6.557
  205    H    GLU  27           HN       GLU  27   4.546  -5.494   5.042
  206    HA   GLU  27           HA       GLU  27   3.262  -6.742   7.314
  207    HB2  GLU  27          2HB       GLU  27   2.068  -5.108   5.065
  208    HB3  GLU  27          1HB       GLU  27   1.108  -5.873   6.326
  209    HG2  GLU  27          2HG       GLU  27   2.531  -4.583   7.984
  210    HG3  GLU  27          1HG       GLU  27   3.115  -3.660   6.605
  211    H    GLY  28           HN       GLY  28   4.503  -7.918   4.637
  212    HA2  GLY  28          2HA       GLY  28   4.446 -10.153   4.050
  213    HA3  GLY  28          1HA       GLY  28   2.923 -10.325   4.898
  214    H    PHE  29           HN       PHE  29   3.512  -7.919   2.396
  215    HA   PHE  29           HA       PHE  29   1.669  -9.424   0.684
  216    HB2  PHE  29          2HB       PHE  29   1.911  -6.450   1.087
  217    HB3  PHE  29          1HB       PHE  29   0.922  -7.180  -0.175
  218    HD1  PHE  29          1HD       PHE  29   1.039  -6.065   3.172
  219    HD2  PHE  29          2HD       PHE  29  -0.852  -8.848   0.596
  220    HE1  PHE  29          1HE       PHE  29  -0.806  -6.257   4.754
  221    HE2  PHE  29          2HE       PHE  29  -2.720  -9.054   2.169
  222    HZ   PHE  29           HZ       PHE  29  -2.701  -7.746   4.271
  223    HA   PRO  30           HA       PRO  30   4.648  -9.157  -2.614
  224    HB2  PRO  30          2HB       PRO  30   2.699  -8.329  -4.616
  225    HB3  PRO  30          1HB       PRO  30   3.522  -9.877  -4.445
  226    HG2  PRO  30          2HG       PRO  30   0.862  -9.503  -3.972
  227    HG3  PRO  30          1HG       PRO  30   1.830 -10.781  -3.208
  228    HD2  PRO  30          2HD       PRO  30   0.861  -8.195  -2.113
  229    HD3  PRO  30          1HD       PRO  30   1.082  -9.755  -1.298
  230    H    GLY  31           HN       GLY  31   2.473  -6.378  -2.308
  231    HA2  GLY  31          2HA       GLY  31   4.546  -4.529  -2.483
  232    HA3  GLY  31          1HA       GLY  31   3.823  -4.670  -4.077
  233    H    GLY  32           HN       GLY  32   3.592  -2.289  -3.269
  234    HA2  GLY  32          2HA       GLY  32   0.948  -2.032  -2.032
  235    HA3  GLY  32          1HA       GLY  32   2.272  -0.920  -1.691
  236    H    ARG  33           HN       ARG  33  -0.025   0.099  -2.593
  237    HA   ARG  33           HA       ARG  33   0.650   1.140  -5.234
  238    HB2  ARG  33          2HB       ARG  33  -0.770  -0.882  -5.545
  239    HB3  ARG  33          1HB       ARG  33  -1.994  -0.119  -4.535
  240    HG2  ARG  33          2HG       ARG  33  -2.651   0.063  -6.823
  241    HG3  ARG  33          1HG       ARG  33  -2.201   1.663  -6.240
  242    HD2  ARG  33          2HD       ARG  33  -0.022   1.456  -7.318
  243    HD3  ARG  33          1HD       ARG  33  -0.431  -0.166  -7.856
  244    HE   ARG  33           HE       ARG  33  -2.448   1.337  -8.816
  245   HH11  ARG  33          1HH1      ARG  33   1.061   1.530  -9.173
  246   HH12  ARG  33          2HH1      ARG  33   1.002   2.228 -10.734
  247   HH21  ARG  33          1HH2      ARG  33  -2.514   2.270 -10.948
  248   HH22  ARG  33          2HH2      ARG  33  -1.061   2.661 -11.742
  249    H    CYS  34           HN       CYS  34  -0.555   3.082  -5.630
  250    HA   CYS  34           HA       CYS  34  -1.413   4.516  -3.290
  251    HB2  CYS  34          2HB       CYS  34  -1.290   5.259  -6.211
  252    HB3  CYS  34          1HB       CYS  34  -2.029   6.310  -5.012
  253    H    ARG  35           HN       ARG  35  -3.374   4.680  -2.586
  254    HA   ARG  35           HA       ARG  35  -5.667   4.188  -4.297
  255    HB2  ARG  35          2HB       ARG  35  -5.142   1.933  -3.632
  256    HB3  ARG  35          1HB       ARG  35  -4.944   2.426  -1.964
  257    HG2  ARG  35          2HG       ARG  35  -7.004   1.172  -2.290
  258    HG3  ARG  35          1HG       ARG  35  -7.333   2.818  -1.767
  259    HD2  ARG  35          2HD       ARG  35  -7.954   3.446  -4.008
  260    HD3  ARG  35          1HD       ARG  35  -7.472   1.862  -4.624
  261    HE   ARG  35           HE       ARG  35  -9.232   1.004  -3.020
  262   HH11  ARG  35          1HH1      ARG  35  -9.599   4.189  -4.550
  263   HH12  ARG  35          2HH1      ARG  35 -11.288   4.068  -4.678
  264   HH21  ARG  35          1HH2      ARG  35 -11.552   0.867  -3.218
  265   HH22  ARG  35          2HH2      ARG  35 -12.417   2.179  -3.884
  266    H    GLY  36           HN       GLY  36  -4.349   4.822  -1.102
  267    HA2  GLY  36          2HA       GLY  36  -6.623   5.827   0.086
  268    HA3  GLY  36          1HA       GLY  36  -4.978   6.269   0.514
  269    H    PHE  37           HN       PHE  37  -7.656   7.692   0.009
  270    HA   PHE  37           HA       PHE  37  -7.437   9.474  -2.128
  271    HB2  PHE  37          2HB       PHE  37  -9.502   9.153  -0.837
  272    HB3  PHE  37          1HB       PHE  37  -8.746   9.873   0.576
  273    HD1  PHE  37          1HD       PHE  37  -9.849  10.600  -2.892
  274    HD2  PHE  37          2HD       PHE  37  -8.850  12.192   0.932
  275    HE1  PHE  37          1HE       PHE  37 -10.698  12.800  -3.587
  276    HE2  PHE  37          2HE       PHE  37  -9.690  14.389   0.246
  277    HZ   PHE  37           HZ       PHE  37 -10.622  14.700  -2.020
  278    H    ARG  38           HN       ARG  38  -6.005   9.496   1.021
  279    HA   ARG  38           HA       ARG  38  -4.882  12.175   0.735
  280    HB2  ARG  38          2HB       ARG  38  -4.613  10.144   2.955
  281    HB3  ARG  38          1HB       ARG  38  -4.068  11.809   3.004
  282    HG2  ARG  38          2HG       ARG  38  -6.325  12.613   2.926
  283    HG3  ARG  38          1HG       ARG  38  -6.941  10.972   2.707
  284    HD2  ARG  38          2HD       ARG  38  -7.181  11.651   5.039
  285    HD3  ARG  38          1HD       ARG  38  -6.014  10.343   4.877
  286    HE   ARG  38           HE       ARG  38  -4.990  13.053   4.921
  287   HH11  ARG  38          1HH1      ARG  38  -5.481  10.025   6.688
  288   HH12  ARG  38          2HH1      ARG  38  -4.354  10.424   7.911
  289   HH21  ARG  38          1HH2      ARG  38  -3.470  13.560   6.582
  290   HH22  ARG  38          2HH2      ARG  38  -3.202  12.464   7.869
  291    H    ARG  39           HN       ARG  39  -4.111   9.700  -0.896
  292    HA   ARG  39           HA       ARG  39  -2.296   8.844  -1.921
  293    HB2  ARG  39          2HB       ARG  39  -0.757  10.992  -0.432
  294    HB3  ARG  39          1HB       ARG  39  -0.072   9.972  -1.683
  295    HG2  ARG  39          2HG       ARG  39  -2.329  11.929  -2.052
  296    HG3  ARG  39          1HG       ARG  39  -0.647  12.202  -2.510
  297    HD2  ARG  39          2HD       ARG  39  -0.794  10.310  -4.078
  298    HD3  ARG  39          1HD       ARG  39  -2.480  10.071  -3.617
  299    HE   ARG  39           HE       ARG  39  -1.993  12.726  -4.456
  300   HH11  ARG  39          1HH1      ARG  39  -2.482   9.470  -5.798
  301   HH12  ARG  39          2HH1      ARG  39  -3.177  10.040  -7.242
  302   HH21  ARG  39          1HH2      ARG  39  -2.924  13.465  -6.443
  303   HH22  ARG  39          2HH2      ARG  39  -3.421  12.341  -7.624
  304    H    ARG  40           HN       ARG  40  -3.209   7.526   0.233
  305    HA   ARG  40           HA       ARG  40  -0.842   6.795   1.770
  306    HB2  ARG  40          2HB       ARG  40  -3.735   6.054   2.230
  307    HB3  ARG  40          1HB       ARG  40  -2.397   5.460   3.199
  308    HG2  ARG  40          2HG       ARG  40  -1.846   7.823   3.773
  309    HG3  ARG  40          1HG       ARG  40  -3.314   8.312   2.927
  310    HD2  ARG  40          2HD       ARG  40  -3.703   8.142   5.327
  311    HD3  ARG  40          1HD       ARG  40  -4.644   6.933   4.452
  312    HE   ARG  40           HE       ARG  40  -2.241   5.748   5.165
  313   HH11  ARG  40          1HH1      ARG  40  -5.071   7.076   6.850
  314   HH12  ARG  40          2HH1      ARG  40  -4.929   6.028   8.183
  315   HH21  ARG  40          1HH2      ARG  40  -2.067   4.295   6.998
  316   HH22  ARG  40          2HH2      ARG  40  -3.187   4.446   8.271
  317    H    CYS  41           HN       CYS  41  -0.198   4.652   2.025
  318    HA   CYS  41           HA       CYS  41  -0.215   3.274  -0.496
  319    HB2  CYS  41          2HB       CYS  41   1.879   3.623   0.720
  320    HB3  CYS  41          1HB       CYS  41   1.249   2.728   2.092
  321    H    PHE  42           HN       PHE  42  -1.365   1.571  -0.979
  322    HA   PHE  42           HA       PHE  42  -2.570   0.009   1.175
  323    HB2  PHE  42          2HB       PHE  42  -3.667   0.773  -1.516
  324    HB3  PHE  42          1HB       PHE  42  -4.187  -0.680  -0.674
  325    HD1  PHE  42          1HD       PHE  42  -3.548   2.822   0.448
  326    HD2  PHE  42          2HD       PHE  42  -6.259  -0.427   0.160
  327    HE1  PHE  42          1HE       PHE  42  -5.228   4.127   1.689
  328    HE2  PHE  42          2HE       PHE  42  -7.950   0.886   1.415
  329    HZ   PHE  42           HZ       PHE  42  -7.430   3.142   2.171
  330    H    CYS  43           HN       CYS  43  -2.196  -2.042   1.157
  331    HA   CYS  43           HA       CYS  43  -0.135  -3.019  -0.558
  332    HB2  CYS  43          2HB       CYS  43  -1.671  -4.311   1.677
  333    HB3  CYS  43          1HB       CYS  43  -0.161  -4.886   0.966
  334    H    THR  44           HN       THR  44  -0.490  -4.143  -2.328
  335    HA   THR  44           HA       THR  44  -3.197  -4.899  -3.011
  336    HB   THR  44           HB       THR  44  -0.653  -5.198  -4.630
  337    HG1  THR  44          1HG       THR  44  -1.731  -2.988  -3.835
  338   HG21  THR  44          1HG2      THR  44  -2.202  -5.242  -6.547
  339   HG22  THR  44          2HG2      THR  44  -3.572  -5.106  -5.442
  340   HG23  THR  44          3HG2      THR  44  -2.559  -6.547  -5.414
  341    H    THR  45           HN       THR  45  -3.915  -6.895  -2.698
  342    HA   THR  45           HA       THR  45  -2.000  -9.070  -2.666
  343    HB   THR  45           HB       THR  45  -2.596  -8.471  -0.308
  344    HG1  THR  45          1HG       THR  45  -3.699 -10.743   0.003
  345   HG21  THR  45          1HG2      THR  45  -4.857  -8.927   0.533
  346   HG22  THR  45          2HG2      THR  45  -5.390  -9.300  -1.104
  347   HG23  THR  45          3HG2      THR  45  -4.890  -7.658  -0.693
  348    H    HIS  46           HN       HIS  46  -3.284 -11.173  -2.874
  349    HA   HIS  46           HA       HIS  46  -5.328 -10.729  -4.916
  350    HB2  HIS  46          2HB       HIS  46  -3.117 -11.883  -5.524
  351    HB3  HIS  46          1HB       HIS  46  -3.657 -13.211  -4.513
  352    HD1  HIS  46          1HD       HIS  46  -3.748 -12.059  -7.935
  353    HD2  HIS  46          2HD       HIS  46  -6.236 -14.309  -5.482
  354    HE1  HIS  46          1HE       HIS  46  -5.278 -13.323  -9.476
  355    H    CYS  47           HN       CYS  47  -7.282 -11.333  -4.390
  356    HA   CYS  47           HA       CYS  47  -7.641 -13.034  -2.108
  357    HB2  CYS  47          2HB       CYS  47  -9.567 -11.323  -3.675
  358    HB3  CYS  47          1HB       CYS  47 -10.111 -12.431  -2.425
  Start of MODEL   15
    1    H1   ARG   1          1HT       ARG   1 -11.021  -9.411  -6.657
    2    H2   ARG   1          2HT       ARG   1 -10.858 -10.640  -5.540
    3    H3   ARG   1          3HT       ARG   1 -11.706 -10.938  -6.937
    4    HA   ARG   1           HA       ARG   1  -9.557 -11.955  -7.012
    5    HB2  ARG   1          2HB       ARG   1  -9.836  -9.551  -8.829
    6    HB3  ARG   1          1HB       ARG   1  -8.651 -10.816  -9.076
    7    HG2  ARG   1          2HG       ARG   1 -10.361 -12.438  -9.468
    8    HG3  ARG   1          1HG       ARG   1 -11.619 -11.300  -8.980
    9    HD2  ARG   1          2HD       ARG   1  -9.784 -10.959 -11.350
   10    HD3  ARG   1          1HD       ARG   1 -11.453 -11.528 -11.431
   11    HE   ARG   1           HE       ARG   1 -11.680  -9.206 -10.104
   12   HH11  ARG   1          1HH1      ARG   1 -10.186  -9.988 -13.211
   13   HH12  ARG   1          2HH1      ARG   1 -10.441  -8.447 -13.872
   14   HH21  ARG   1          1HH2      ARG   1 -12.024  -7.131 -10.987
   15   HH22  ARG   1          2HH2      ARG   1 -11.524  -6.765 -12.570
   16    H    THR   2           HN       THR   2  -8.837  -8.441  -7.291
   17    HA   THR   2           HA       THR   2  -6.542  -8.951  -5.569
   18    HB   THR   2           HB       THR   2  -5.765  -6.719  -6.569
   19    HG1  THR   2          1HG       THR   2  -7.965  -6.351  -7.460
   20   HG21  THR   2          1HG2      THR   2  -6.064  -9.117  -8.392
   21   HG22  THR   2          2HG2      THR   2  -4.787  -8.884  -7.200
   22   HG23  THR   2          3HG2      THR   2  -4.894  -7.813  -8.597
   23    H    CYS   3           HN       CYS   3  -6.732  -8.218  -3.568
   24    HA   CYS   3           HA       CYS   3  -8.689  -6.149  -3.003
   25    HB2  CYS   3          2HB       CYS   3  -7.439  -8.307  -1.298
   26    HB3  CYS   3          1HB       CYS   3  -8.336  -6.965  -0.607
   27    H    GLN   4           HN       GLN   4  -8.057  -4.375  -1.987
   28    HA   GLN   4           HA       GLN   4  -5.165  -3.971  -1.579
   29    HB2  GLN   4          2HB       GLN   4  -7.350  -1.965  -2.161
   30    HB3  GLN   4          1HB       GLN   4  -5.680  -1.555  -1.865
   31    HG2  GLN   4          2HG       GLN   4  -6.746  -3.111  -4.206
   32    HG3  GLN   4          1HG       GLN   4  -6.222  -1.428  -4.206
   33   HE21  GLN   4          1HE2      GLN   4  -5.272  -3.578  -5.822
   34   HE22  GLN   4          2HE2      GLN   4  -3.576  -3.733  -5.489
   35    H    SER   5           HN       SER   5  -4.620  -3.935   0.410
   36    HA   SER   5           HA       SER   5  -6.592  -3.107   2.419
   37    HB2  SER   5          2HB       SER   5  -4.199  -4.937   2.684
   38    HB3  SER   5          1HB       SER   5  -5.350  -4.528   3.954
   39    HG   SER   5           HG       SER   5  -6.953  -5.374   2.371
   40    H    GLN   6           HN       GLN   6  -6.039  -1.317   3.555
   41    HA   GLN   6           HA       GLN   6  -3.790   0.230   2.854
   42    HB2  GLN   6          2HB       GLN   6  -4.371   1.647   4.813
   43    HB3  GLN   6          1HB       GLN   6  -5.754   1.305   3.785
   44    HG2  GLN   6          2HG       GLN   6  -6.512  -0.393   5.351
   45    HG3  GLN   6          1HG       GLN   6  -5.110  -0.087   6.375
   46   HE21  GLN   6          1HE2      GLN   6  -8.135   1.091   5.254
   47   HE22  GLN   6          2HE2      GLN   6  -8.331   2.327   6.444
   48    H    SER   7           HN       SER   7  -1.742   0.323   3.609
   49    HA   SER   7           HA       SER   7  -0.586  -1.749   5.024
   50    HB2  SER   7          2HB       SER   7   0.426   1.066   4.862
   51    HB3  SER   7          1HB       SER   7   1.371  -0.429   4.879
   52    HG   SER   7           HG       SER   7   0.708  -0.868   2.812
   53    H    HIS   8           HN       HIS   8   0.360  -1.724   7.173
   54    HA   HIS   8           HA       HIS   8  -1.243  -0.114   9.041
   55    HB2  HIS   8          2HB       HIS   8   0.332  -2.642   9.567
   56    HB3  HIS   8          1HB       HIS   8  -0.672  -1.788  10.729
   57    HD1  HIS   8          1HD       HIS   8  -0.804  -4.123   7.883
   58    HD2  HIS   8          2HD       HIS   8  -3.428  -2.135  10.386
   59    HE1  HIS   8          1HE       HIS   8  -3.047  -5.289   7.589
   60    H    ARG   9           HN       ARG   9   1.967  -0.850   7.974
   61    HA   ARG   9           HA       ARG   9   2.974   0.977  10.047
   62    HB2  ARG   9          2HB       ARG   9   5.089  -0.280  10.023
   63    HB3  ARG   9          1HB       ARG   9   3.724  -1.270  10.505
   64    HG2  ARG   9          2HG       ARG   9   3.665  -2.129   8.133
   65    HG3  ARG   9          1HG       ARG   9   5.203  -1.290   7.903
   66    HD2  ARG   9          2HD       ARG   9   4.670  -3.357  10.009
   67    HD3  ARG   9          1HD       ARG   9   5.472  -3.686   8.472
   68    HE   ARG   9           HE       ARG   9   7.043  -1.862   9.325
   69   HH11  ARG   9          1HH1      ARG   9   5.475  -4.290  11.361
   70   HH12  ARG   9          2HH1      ARG   9   6.748  -4.433  12.481
   71   HH21  ARG   9          1HH2      ARG   9   8.813  -1.990  10.889
   72   HH22  ARG   9          2HH2      ARG   9   8.726  -3.074  12.194
   73    H    PHE  10           HN       PHE  10   2.037   1.615   7.364
   74    HA   PHE  10           HA       PHE  10   4.412   2.317   5.890
   75    HB2  PHE  10          2HB       PHE  10   2.321   1.820   4.666
   76    HB3  PHE  10          1HB       PHE  10   1.529   3.189   5.439
   77    HD1  PHE  10          1HD       PHE  10   1.645   5.321   4.448
   78    HD2  PHE  10          2HD       PHE  10   4.329   2.264   3.195
   79    HE1  PHE  10          1HE       PHE  10   2.455   6.763   2.645
   80    HE2  PHE  10          2HE       PHE  10   5.132   3.712   1.395
   81    HZ   PHE  10           HZ       PHE  10   4.205   5.961   1.121
   82    H    ARG  11           HN       ARG  11   5.079   4.493   5.480
   83    HA   ARG  11           HA       ARG  11   4.270   6.434   7.480
   84    HB2  ARG  11          2HB       ARG  11   6.659   6.903   8.000
   85    HB3  ARG  11          1HB       ARG  11   6.109   5.328   8.544
   86    HG2  ARG  11          2HG       ARG  11   7.158   4.336   6.510
   87    HG3  ARG  11          1HG       ARG  11   7.827   5.927   6.143
   88    HD2  ARG  11          2HD       ARG  11   9.006   5.936   8.260
   89    HD3  ARG  11          1HD       ARG  11   8.281   4.385   8.674
   90    HE   ARG  11           HE       ARG  11  10.074   4.709   6.349
   91   HH11  ARG  11          1HH1      ARG  11   9.198   2.976   9.311
   92   HH12  ARG  11          2HH1      ARG  11  10.329   1.719   9.069
   93   HH21  ARG  11          1HH2      ARG  11  11.625   3.015   6.056
   94   HH22  ARG  11          2HH2      ARG  11  11.739   1.737   7.175
   95    H    GLY  12           HN       GLY  12   4.241   8.456   6.683
   96    HA2  GLY  12          2HA       GLY  12   4.855  10.282   5.426
   97    HA3  GLY  12          1HA       GLY  12   5.986   9.283   4.539
   98    HA   PRO  13           HA       PRO  13   2.476  10.076   1.711
   99    HB2  PRO  13          2HB       PRO  13   3.884  11.008  -0.369
  100    HB3  PRO  13          1HB       PRO  13   3.509  12.034   1.021
  101    HG2  PRO  13          2HG       PRO  13   6.053  10.660   0.309
  102    HG3  PRO  13          1HG       PRO  13   5.808  12.250   1.050
  103    HD2  PRO  13          2HD       PRO  13   6.471   9.912   2.403
  104    HD3  PRO  13          1HD       PRO  13   5.783  11.367   3.146
  105    H    CYS  14           HN       CYS  14   1.764   8.867  -0.105
  106    HA   CYS  14           HA       CYS  14   3.057   6.320  -0.438
  107    HB2  CYS  14          2HB       CYS  14   0.555   6.680  -0.491
  108    HB3  CYS  14          1HB       CYS  14   0.763   7.406  -2.076
  109    H    LEU  15           HN       LEU  15   3.591   9.295  -1.824
  110    HA   LEU  15           HA       LEU  15   4.140   8.650  -4.502
  111    HB2  LEU  15          2HB       LEU  15   5.304  10.798  -2.733
  112    HB3  LEU  15          1HB       LEU  15   5.756  10.638  -4.415
  113    HG   LEU  15           HG       LEU  15   4.185  12.401  -4.261
  114   HD11  LEU  15          1HD1      LEU  15   2.353  11.684  -5.672
  115   HD12  LEU  15          2HD1      LEU  15   2.740  10.002  -5.330
  116   HD13  LEU  15          3HD1      LEU  15   3.899  11.014  -6.197
  117   HD21  LEU  15          1HD2      LEU  15   2.336  10.529  -2.773
  118   HD22  LEU  15          2HD2      LEU  15   1.910  12.145  -3.336
  119   HD23  LEU  15          3HD2      LEU  15   3.159  11.943  -2.111
  120    H    ARG  16           HN       ARG  16   5.866   8.026  -1.607
  121    HA   ARG  16           HA       ARG  16   8.214   7.119  -3.008
  122    HB2  ARG  16          2HB       ARG  16   7.367   6.666  -0.139
  123    HB3  ARG  16          1HB       ARG  16   8.928   6.238  -0.816
  124    HG2  ARG  16          2HG       ARG  16   9.309   8.679  -1.235
  125    HG3  ARG  16          1HG       ARG  16   7.808   8.983  -0.369
  126    HD2  ARG  16          2HD       ARG  16   9.722   9.216   1.141
  127    HD3  ARG  16          1HD       ARG  16   8.670   7.871   1.590
  128    HE   ARG  16           HE       ARG  16  10.963   7.207  -0.056
  129   HH11  ARG  16          1HH1      ARG  16   9.659   7.333   3.225
  130   HH12  ARG  16          2HH1      ARG  16  10.763   6.219   3.889
  131   HH21  ARG  16          1HH2      ARG  16  12.503   5.671   0.869
  132   HH22  ARG  16          2HH2      ARG  16  12.415   5.254   2.515
  133    H    ARG  17           HN       ARG  17   7.261   5.702  -4.438
  134    HA   ARG  17           HA       ARG  17   5.492   3.622  -3.670
  135    HB2  ARG  17          2HB       ARG  17   5.967   2.640  -5.921
  136    HB3  ARG  17          1HB       ARG  17   5.393   4.297  -5.936
  137    HG2  ARG  17          2HG       ARG  17   7.695   5.074  -6.269
  138    HG3  ARG  17          1HG       ARG  17   8.248   3.395  -6.286
  139    HD2  ARG  17          2HD       ARG  17   7.963   4.325  -8.540
  140    HD3  ARG  17          1HD       ARG  17   6.892   2.955  -8.239
  141    HE   ARG  17           HE       ARG  17   5.486   5.228  -7.563
  142   HH11  ARG  17          1HH1      ARG  17   6.969   3.939 -10.505
  143   HH12  ARG  17          2HH1      ARG  17   5.782   4.582 -11.542
  144   HH21  ARG  17          1HH2      ARG  17   3.861   6.091  -8.980
  145   HH22  ARG  17          2HH2      ARG  17   3.975   5.826 -10.653
  146    H    SER  18           HN       SER  18   8.957   3.808  -3.865
  147    HA   SER  18           HA       SER  18   9.549   1.079  -3.690
  148    HB2  SER  18          2HB       SER  18  11.679   2.115  -2.675
  149    HB3  SER  18          1HB       SER  18  11.251   2.567  -4.332
  150    HG   SER  18           HG       SER  18  11.788   4.292  -2.754
  151    H    ASN  19           HN       ASN  19   8.971   3.610  -1.395
  152    HA   ASN  19           HA       ASN  19   9.399   2.166   1.004
  153    HB2  ASN  19          2HB       ASN  19   9.386   4.612   0.945
  154    HB3  ASN  19          1HB       ASN  19   7.703   4.600   0.445
  155   HD21  ASN  19          1HD2      ASN  19   7.090   5.849   2.168
  156   HD22  ASN  19          2HD2      ASN  19   7.011   5.263   3.771
  157    H    CYS  20           HN       CYS  20   6.471   3.011  -0.800
  158    HA   CYS  20           HA       CYS  20   4.544   1.749   0.754
  159    HB2  CYS  20          2HB       CYS  20   4.006   3.283  -1.090
  160    HB3  CYS  20          1HB       CYS  20   4.642   2.134  -2.253
  161    H    ALA  21           HN       ALA  21   6.305   0.418  -2.047
  162    HA   ALA  21           HA       ALA  21   5.176  -2.147  -1.889
  163    HB1  ALA  21          1HB       ALA  21   6.909  -2.812  -3.426
  164    HB2  ALA  21          2HB       ALA  21   7.828  -1.355  -3.054
  165    HB3  ALA  21          3HB       ALA  21   6.281  -1.228  -3.889
  166    H    ASN  22           HN       ASN  22   8.070  -0.749  -0.394
  167    HA   ASN  22           HA       ASN  22   9.048  -3.260   0.505
  168    HB2  ASN  22          2HB       ASN  22  10.524  -1.273   0.268
  169    HB3  ASN  22          1HB       ASN  22   9.697  -0.527   1.630
  170   HD21  ASN  22          1HD2      ASN  22  10.227  -1.180   3.703
  171   HD22  ASN  22          2HD2      ASN  22  11.485  -2.304   4.041
  172    H    VAL  23           HN       VAL  23   7.110  -0.730   2.036
  173    HA   VAL  23           HA       VAL  23   6.872  -1.917   4.557
  174    HB   VAL  23           HB       VAL  23   4.932  -0.121   3.053
  175   HG11  VAL  23          1HG1      VAL  23   3.814   0.253   5.211
  176   HG12  VAL  23          2HG1      VAL  23   4.856  -0.963   5.949
  177   HG13  VAL  23          3HG1      VAL  23   3.695  -1.436   4.711
  178   HG21  VAL  23          1HG2      VAL  23   7.053   0.902   3.620
  179   HG22  VAL  23          2HG2      VAL  23   6.863   0.420   5.306
  180   HG23  VAL  23          3HG2      VAL  23   5.764   1.601   4.594
  181    H    CYS  24           HN       CYS  24   4.716  -2.136   1.752
  182    HA   CYS  24           HA       CYS  24   3.020  -4.036   2.826
  183    HB2  CYS  24          2HB       CYS  24   3.727  -3.382  -0.015
  184    HB3  CYS  24          1HB       CYS  24   2.462  -4.532   0.387
  185    H    ARG  25           HN       ARG  25   6.084  -4.481   1.135
  186    HA   ARG  25           HA       ARG  25   5.889  -7.287   0.975
  187    HB2  ARG  25          2HB       ARG  25   7.532  -5.983  -0.338
  188    HB3  ARG  25          1HB       ARG  25   8.390  -5.589   1.144
  189    HG2  ARG  25          2HG       ARG  25   8.934  -7.920   1.489
  190    HG3  ARG  25          1HG       ARG  25   7.998  -8.372   0.066
  191    HD2  ARG  25          2HD       ARG  25   9.515  -7.031  -1.328
  192    HD3  ARG  25          1HD       ARG  25  10.467  -6.642   0.106
  193    HE   ARG  25           HE       ARG  25  10.446  -9.305   0.167
  194   HH11  ARG  25          1HH1      ARG  25  11.248  -7.084  -2.480
  195   HH12  ARG  25          2HH1      ARG  25  12.320  -8.188  -3.220
  196   HH21  ARG  25          1HH2      ARG  25  11.913 -10.762  -0.867
  197   HH22  ARG  25          2HH2      ARG  25  12.693 -10.307  -2.301
  198    H    THR  26           HN       THR  26   7.289  -5.146   3.460
  199    HA   THR  26           HA       THR  26   8.083  -7.297   5.097
  200    HB   THR  26           HB       THR  26   8.293  -5.572   6.930
  201    HG1  THR  26          1HG       THR  26   6.716  -4.125   5.271
  202   HG21  THR  26          1HG2      THR  26   9.561  -4.918   4.270
  203   HG22  THR  26          2HG2      THR  26  10.167  -6.071   5.460
  204   HG23  THR  26          3HG2      THR  26  10.136  -4.350   5.834
  205    H    GLU  27           HN       GLU  27   5.024  -5.799   4.611
  206    HA   GLU  27           HA       GLU  27   3.953  -7.071   6.966
  207    HB2  GLU  27          2HB       GLU  27   2.632  -5.353   4.869
  208    HB3  GLU  27          1HB       GLU  27   1.753  -6.107   6.194
  209    HG2  GLU  27          2HG       GLU  27   3.362  -4.894   7.740
  210    HG3  GLU  27          1HG       GLU  27   3.852  -3.969   6.324
  211    H    GLY  28           HN       GLY  28   4.887  -8.266   4.188
  212    HA2  GLY  28          2HA       GLY  28   4.628 -10.457   3.480
  213    HA3  GLY  28          1HA       GLY  28   3.247 -10.613   4.551
  214    H    PHE  29           HN       PHE  29   3.602  -8.136   2.087
  215    HA   PHE  29           HA       PHE  29   1.453  -9.460   0.630
  216    HB2  PHE  29          2HB       PHE  29   1.952  -6.509   1.018
  217    HB3  PHE  29          1HB       PHE  29   0.749  -7.167  -0.087
  218    HD1  PHE  29          1HD       PHE  29   1.355  -6.025   3.202
  219    HD2  PHE  29          2HD       PHE  29  -0.958  -8.772   0.953
  220    HE1  PHE  29          1HE       PHE  29  -0.281  -6.124   5.032
  221    HE2  PHE  29          2HE       PHE  29  -2.604  -8.890   2.753
  222    HZ   PHE  29           HZ       PHE  29  -2.279  -7.558   4.815
  223    HA   PRO  30           HA       PRO  30   4.017  -9.684  -3.001
  224    HB2  PRO  30          2HB       PRO  30   1.633  -8.688  -4.467
  225    HB3  PRO  30          1HB       PRO  30   2.596 -10.140  -4.752
  226    HG2  PRO  30          2HG       PRO  30   0.187 -10.304  -3.630
  227    HG3  PRO  30          1HG       PRO  30   1.524 -11.340  -3.091
  228    HD2  PRO  30          2HD       PRO  30   0.334  -8.944  -1.777
  229    HD3  PRO  30          1HD       PRO  30   0.990 -10.425  -1.061
  230    H    GLY  31           HN       GLY  31   1.973  -6.783  -2.676
  231    HA2  GLY  31          2HA       GLY  31   4.179  -5.051  -3.116
  232    HA3  GLY  31          1HA       GLY  31   3.179  -5.149  -4.556
  233    H    GLY  32           HN       GLY  32   3.244  -2.757  -3.761
  234    HA2  GLY  32          2HA       GLY  32   0.730  -2.325  -2.327
  235    HA3  GLY  32          1HA       GLY  32   2.169  -1.404  -1.887
  236    H    ARG  33           HN       ARG  33  -0.370  -0.459  -2.961
  237    HA   ARG  33           HA       ARG  33   0.651   0.977  -5.318
  238    HB2  ARG  33          2HB       ARG  33  -2.122  -0.214  -5.112
  239    HB3  ARG  33          1HB       ARG  33  -1.491   0.732  -6.450
  240    HG2  ARG  33          2HG       ARG  33   0.100  -1.023  -6.960
  241    HG3  ARG  33          1HG       ARG  33  -0.470  -1.954  -5.579
  242    HD2  ARG  33          2HD       ARG  33  -2.724  -1.991  -6.610
  243    HD3  ARG  33          1HD       ARG  33  -2.036  -1.210  -8.037
  244    HE   ARG  33           HE       ARG  33  -0.487  -3.415  -7.455
  245   HH11  ARG  33          1HH1      ARG  33  -3.752  -2.716  -8.633
  246   HH12  ARG  33          2HH1      ARG  33  -3.967  -4.238  -9.371
  247   HH21  ARG  33          1HH2      ARG  33  -0.761  -5.491  -8.421
  248   HH22  ARG  33          2HH2      ARG  33  -2.190  -5.872  -9.265
  249    H    CYS  34           HN       CYS  34  -0.455   2.997  -5.642
  250    HA   CYS  34           HA       CYS  34  -1.576   4.094  -3.176
  251    HB2  CYS  34          2HB       CYS  34  -0.728   5.496  -5.723
  252    HB3  CYS  34          1HB       CYS  34  -1.161   6.264  -4.204
  253    H    ARG  35           HN       ARG  35  -3.786   4.173  -3.081
  254    HA   ARG  35           HA       ARG  35  -5.134   4.878  -5.592
  255    HB2  ARG  35          2HB       ARG  35  -6.807   3.235  -5.441
  256    HB3  ARG  35          1HB       ARG  35  -5.314   2.398  -5.043
  257    HG2  ARG  35          2HG       ARG  35  -5.866   2.381  -2.718
  258    HG3  ARG  35          1HG       ARG  35  -7.283   3.395  -3.007
  259    HD2  ARG  35          2HD       ARG  35  -8.158   1.602  -4.509
  260    HD3  ARG  35          1HD       ARG  35  -6.815   0.592  -3.988
  261    HE   ARG  35           HE       ARG  35  -8.170   1.530  -1.731
  262   HH11  ARG  35          1HH1      ARG  35  -8.694  -0.701  -4.444
  263   HH12  ARG  35          2HH1      ARG  35  -9.765  -1.704  -3.592
  264   HH21  ARG  35          1HH2      ARG  35  -9.687   0.153  -0.585
  265   HH22  ARG  35          2HH2      ARG  35 -10.331  -1.214  -1.364
  266    H    GLY  36           HN       GLY  36  -4.490   5.927  -2.702
  267    HA2  GLY  36          2HA       GLY  36  -7.205   6.684  -1.891
  268    HA3  GLY  36          1HA       GLY  36  -5.746   6.872  -0.924
  269    H    PHE  37           HN       PHE  37  -7.656   8.908  -1.321
  270    HA   PHE  37           HA       PHE  37  -6.887  10.687  -3.402
  271    HB2  PHE  37          2HB       PHE  37  -9.136  10.721  -2.366
  272    HB3  PHE  37          1HB       PHE  37  -8.425  11.263  -0.855
  273    HD1  PHE  37          1HD       PHE  37  -9.071  12.202  -4.358
  274    HD2  PHE  37          2HD       PHE  37  -7.949  13.545  -0.479
  275    HE1  PHE  37          1HE       PHE  37  -9.343  14.530  -5.090
  276    HE2  PHE  37          2HE       PHE  37  -8.216  15.874  -1.206
  277    HZ   PHE  37           HZ       PHE  37  -8.918  16.368  -3.520
  278    H    ARG  38           HN       ARG  38  -6.006  10.373  -0.024
  279    HA   ARG  38           HA       ARG  38  -4.202  12.670  -0.095
  280    HB2  ARG  38          2HB       ARG  38  -4.815  10.605   2.026
  281    HB3  ARG  38          1HB       ARG  38  -3.597  11.853   2.227
  282    HG2  ARG  38          2HG       ARG  38  -5.252  13.573   2.104
  283    HG3  ARG  38          1HG       ARG  38  -6.502  12.401   1.684
  284    HD2  ARG  38          2HD       ARG  38  -4.937  12.359   4.259
  285    HD3  ARG  38          1HD       ARG  38  -6.518  13.119   4.080
  286    HE   ARG  38           HE       ARG  38  -7.119  10.726   3.245
  287   HH11  ARG  38          1HH1      ARG  38  -4.998  11.498   6.013
  288   HH12  ARG  38          2HH1      ARG  38  -5.463  10.121   6.889
  289   HH21  ARG  38          1HH2      ARG  38  -7.767   8.844   4.543
  290   HH22  ARG  38          2HH2      ARG  38  -7.075   8.648   6.080
  291    H    ARG  39           HN       ARG  39  -4.169   9.866  -1.398
  292    HA   ARG  39           HA       ARG  39  -2.780   8.345  -2.203
  293    HB2  ARG  39          2HB       ARG  39  -0.461  10.184  -1.566
  294    HB3  ARG  39          1HB       ARG  39  -0.546   8.960  -2.816
  295    HG2  ARG  39          2HG       ARG  39  -2.063  11.558  -2.746
  296    HG3  ARG  39          1HG       ARG  39  -0.692  11.165  -3.780
  297    HD2  ARG  39          2HD       ARG  39  -1.976   9.516  -4.944
  298    HD3  ARG  39          1HD       ARG  39  -3.314   9.688  -3.806
  299    HE   ARG  39           HE       ARG  39  -2.527  12.074  -5.217
  300   HH11  ARG  39          1HH1      ARG  39  -4.744   9.309  -5.119
  301   HH12  ARG  39          2HH1      ARG  39  -5.941  10.047  -6.090
  302   HH21  ARG  39          1HH2      ARG  39  -4.209  13.090  -6.523
  303   HH22  ARG  39          2HH2      ARG  39  -5.624  12.229  -6.885
  304    H    ARG  40           HN       ARG  40  -3.368   7.039  -0.525
  305    HA   ARG  40           HA       ARG  40  -1.302   6.623   1.496
  306    HB2  ARG  40          2HB       ARG  40  -4.173   5.702   1.347
  307    HB3  ARG  40          1HB       ARG  40  -3.059   5.130   2.571
  308    HG2  ARG  40          2HG       ARG  40  -2.777   7.452   3.340
  309    HG3  ARG  40          1HG       ARG  40  -3.967   7.978   2.155
  310    HD2  ARG  40          2HD       ARG  40  -5.059   7.734   4.298
  311    HD3  ARG  40          1HD       ARG  40  -5.603   6.447   3.222
  312    HE   ARG  40           HE       ARG  40  -3.380   5.720   4.867
  313   HH11  ARG  40          1HH1      ARG  40  -6.949   5.881   4.764
  314   HH12  ARG  40          2HH1      ARG  40  -7.167   4.688   5.931
  315   HH21  ARG  40          1HH2      ARG  40  -3.708   4.083   6.495
  316   HH22  ARG  40          2HH2      ARG  40  -5.278   3.602   6.930
  317    H    CYS  41           HN       CYS  41  -0.532   4.497   1.804
  318    HA   CYS  41           HA       CYS  41  -0.287   3.075  -0.686
  319    HB2  CYS  41          2HB       CYS  41   1.717   3.505   0.658
  320    HB3  CYS  41          1HB       CYS  41   1.000   2.669   2.024
  321    H    PHE  42           HN       PHE  42  -1.348   1.332  -1.166
  322    HA   PHE  42           HA       PHE  42  -2.758  -0.118   0.936
  323    HB2  PHE  42          2HB       PHE  42  -3.610   0.422  -1.922
  324    HB3  PHE  42          1HB       PHE  42  -4.324  -0.793  -0.863
  325    HD1  PHE  42          1HD       PHE  42  -5.996  -0.246   0.631
  326    HD2  PHE  42          2HD       PHE  42  -3.755   2.845  -1.208
  327    HE1  PHE  42          1HE       PHE  42  -7.544   1.411   1.570
  328    HE2  PHE  42          2HE       PHE  42  -5.301   4.534  -0.266
  329    HZ   PHE  42           HZ       PHE  42  -7.202   3.810   1.120
  330    H    CYS  43           HN       CYS  43  -2.158  -2.091   1.117
  331    HA   CYS  43           HA       CYS  43  -0.173  -3.171  -0.632
  332    HB2  CYS  43          2HB       CYS  43  -1.502  -4.265   1.838
  333    HB3  CYS  43          1HB       CYS  43  -0.103  -4.964   1.028
  334    H    THR  44           HN       THR  44  -0.604  -4.428  -2.247
  335    HA   THR  44           HA       THR  44  -3.280  -5.241  -2.837
  336    HB   THR  44           HB       THR  44  -0.713  -5.873  -4.310
  337    HG1  THR  44          1HG       THR  44  -2.079  -3.540  -3.918
  338   HG21  THR  44          1HG2      THR  44  -2.696  -7.199  -4.986
  339   HG22  THR  44          2HG2      THR  44  -2.216  -6.067  -6.253
  340   HG23  THR  44          3HG2      THR  44  -3.598  -5.701  -5.220
  341    H    THR  45           HN       THR  45  -4.093  -7.061  -2.134
  342    HA   THR  45           HA       THR  45  -2.338  -9.337  -1.690
  343    HB   THR  45           HB       THR  45  -2.873  -8.303   0.468
  344    HG1  THR  45          1HG       THR  45  -2.875 -10.692   0.194
  345   HG21  THR  45          1HG2      THR  45  -5.764  -8.789  -0.222
  346   HG22  THR  45          2HG2      THR  45  -4.980  -7.213  -0.144
  347   HG23  THR  45          3HG2      THR  45  -5.161  -8.179   1.320
  348    H    HIS  46           HN       HIS  46  -3.620 -11.356  -1.701
  349    HA   HIS  46           HA       HIS  46  -5.464 -11.260  -3.938
  350    HB2  HIS  46          2HB       HIS  46  -4.238 -13.600  -2.465
  351    HB3  HIS  46          1HB       HIS  46  -5.275 -13.732  -3.876
  352    HD1  HIS  46          1HD       HIS  46  -4.089 -13.758  -6.098
  353    HD2  HIS  46          2HD       HIS  46  -1.719 -12.234  -3.041
  354    HE1  HIS  46          1HE       HIS  46  -1.773 -13.462  -7.072
  355    H    CYS  47           HN       CYS  47  -7.583 -11.849  -3.773
  356    HA   CYS  47           HA       CYS  47  -8.659 -11.699  -1.091
  357    HB2  CYS  47          2HB       CYS  47 -10.162 -11.965  -3.690
  358    HB3  CYS  47          1HB       CYS  47 -10.773 -11.366  -2.151
  Start of MODEL   16
    1    H1   ARG   1          1HT       ARG   1  -8.661 -10.548 -10.003
    2    H2   ARG   1          2HT       ARG   1  -9.936  -9.717 -10.728
    3    H3   ARG   1          3HT       ARG   1 -10.033 -10.212  -9.106
    4    HA   ARG   1           HA       ARG   1  -8.041  -8.299 -10.137
    5    HB2  ARG   1          2HB       ARG   1  -9.276  -6.586  -8.884
    6    HB3  ARG   1          1HB       ARG   1 -10.289  -7.261 -10.143
    7    HG2  ARG   1          2HG       ARG   1 -11.496  -8.577  -8.510
    8    HG3  ARG   1          1HG       ARG   1 -10.396  -8.054  -7.234
    9    HD2  ARG   1          2HD       ARG   1 -11.106  -5.736  -7.598
   10    HD3  ARG   1          1HD       ARG   1 -12.227  -6.287  -8.839
   11    HE   ARG   1           HE       ARG   1 -13.206  -7.661  -6.921
   12   HH11  ARG   1          1HH1      ARG   1 -11.826  -4.415  -6.559
   13   HH12  ARG   1          2HH1      ARG   1 -12.768  -3.992  -5.230
   14   HH21  ARG   1          1HH2      ARG   1 -14.552  -7.068  -5.103
   15   HH22  ARG   1          2HH2      ARG   1 -14.422  -5.543  -4.391
   16    H    THR   2           HN       THR   2  -6.926  -7.236  -8.305
   17    HA   THR   2           HA       THR   2  -6.616  -9.111  -6.126
   18    HB   THR   2           HB       THR   2  -4.727  -7.547  -5.475
   19    HG1  THR   2          1HG       THR   2  -4.566  -6.467  -8.000
   20   HG21  THR   2          1HG2      THR   2  -3.194  -8.311  -7.242
   21   HG22  THR   2          2HG2      THR   2  -4.575  -8.748  -8.245
   22   HG23  THR   2          3HG2      THR   2  -4.278  -9.606  -6.732
   23    H    CYS   3           HN       CYS   3  -6.422  -7.989  -3.909
   24    HA   CYS   3           HA       CYS   3  -8.353  -5.846  -3.765
   25    HB2  CYS   3          2HB       CYS   3  -8.186  -8.357  -2.074
   26    HB3  CYS   3          1HB       CYS   3  -9.041  -6.915  -1.538
   27    H    GLN   4           HN       GLN   4  -7.968  -4.459  -1.883
   28    HA   GLN   4           HA       GLN   4  -5.107  -4.556  -1.224
   29    HB2  GLN   4          2HB       GLN   4  -6.648  -2.023  -1.808
   30    HB3  GLN   4          1HB       GLN   4  -4.932  -2.218  -1.444
   31    HG2  GLN   4          2HG       GLN   4  -4.547  -3.359  -3.512
   32    HG3  GLN   4          1HG       GLN   4  -6.270  -3.353  -3.881
   33   HE21  GLN   4          1HE2      GLN   4  -4.142  -2.290  -5.475
   34   HE22  GLN   4          2HE2      GLN   4  -4.471  -0.604  -5.654
   35    H    SER   5           HN       SER   5  -4.461  -3.663   0.709
   36    HA   SER   5           HA       SER   5  -6.505  -2.968   2.686
   37    HB2  SER   5          2HB       SER   5  -5.865  -5.419   2.802
   38    HB3  SER   5          1HB       SER   5  -4.212  -4.911   3.115
   39    HG   SER   5           HG       SER   5  -4.730  -4.276   5.072
   40    H    GLN   6           HN       GLN   6  -5.800  -1.096   3.715
   41    HA   GLN   6           HA       GLN   6  -3.275  -0.000   2.919
   42    HB2  GLN   6          2HB       GLN   6  -3.772   1.928   4.252
   43    HB3  GLN   6          1HB       GLN   6  -5.179   1.488   3.303
   44    HG2  GLN   6          2HG       GLN   6  -6.223   0.506   5.260
   45    HG3  GLN   6          1HG       GLN   6  -4.784   0.840   6.215
   46   HE21  GLN   6          1HE2      GLN   6  -4.347   3.480   5.005
   47   HE22  GLN   6          2HE2      GLN   6  -5.575   4.485   5.665
   48    H    SER   7           HN       SER   7  -1.470   0.408   3.997
   49    HA   SER   7           HA       SER   7  -1.012  -1.250   6.333
   50    HB2  SER   7          2HB       SER   7   0.566  -1.325   4.378
   51    HB3  SER   7          1HB       SER   7   0.971   0.360   4.701
   52    HG   SER   7           HG       SER   7   1.828  -1.892   5.885
   53    H    HIS   8           HN       HIS   8  -0.314  -0.394   8.253
   54    HA   HIS   8           HA       HIS   8  -1.132   2.383   8.698
   55    HB2  HIS   8          2HB       HIS   8  -0.738   0.039  10.476
   56    HB3  HIS   8          1HB       HIS   8  -1.024   1.657  11.121
   57    HD1  HIS   8          1HD       HIS   8  -3.467   2.203  11.486
   58    HD2  HIS   8          2HD       HIS   8  -2.936  -0.831   8.703
   59    HE1  HIS   8          1HE       HIS   8  -5.790   1.474  10.808
   60    H    ARG   9           HN       ARG   9   1.575   0.285   8.929
   61    HA   ARG   9           HA       ARG   9   3.191   2.147  10.434
   62    HB2  ARG   9          2HB       ARG   9   5.021   0.509   9.999
   63    HB3  ARG   9          1HB       ARG   9   3.602  -0.188  10.773
   64    HG2  ARG   9          2HG       ARG   9   2.840  -1.004   8.600
   65    HG3  ARG   9          1HG       ARG   9   4.292  -0.334   7.866
   66    HD2  ARG   9          2HD       ARG   9   4.293  -2.369  10.062
   67    HD3  ARG   9          1HD       ARG   9   4.342  -2.773   8.354
   68    HE   ARG   9           HE       ARG   9   6.425  -0.973   9.053
   69   HH11  ARG   9          1HH1      ARG   9   5.403  -4.349   9.149
   70   HH12  ARG   9          2HH1      ARG   9   6.976  -4.990   9.329
   71   HH21  ARG   9          1HH2      ARG   9   8.589  -1.820   9.218
   72   HH22  ARG   9          2HH2      ARG   9   8.856  -3.499   9.375
   73    H    PHE  10           HN       PHE  10   2.118   2.247   7.417
   74    HA   PHE  10           HA       PHE  10   4.558   3.087   6.140
   75    HB2  PHE  10          2HB       PHE  10   2.834   1.923   4.783
   76    HB3  PHE  10          1HB       PHE  10   1.703   3.231   5.119
   77    HD1  PHE  10          1HD       PHE  10   4.838   2.355   3.400
   78    HD2  PHE  10          2HD       PHE  10   1.814   5.300   3.928
   79    HE1  PHE  10          1HE       PHE  10   5.740   3.611   1.508
   80    HE2  PHE  10          2HE       PHE  10   2.707   6.557   2.027
   81    HZ   PHE  10           HZ       PHE  10   4.674   5.716   0.806
   82    H    ARG  11           HN       ARG  11   5.140   5.115   5.784
   83    HA   ARG  11           HA       ARG  11   3.403   7.252   6.569
   84    HB2  ARG  11          2HB       ARG  11   5.425   8.278   7.781
   85    HB3  ARG  11          1HB       ARG  11   4.488   7.045   8.612
   86    HG2  ARG  11          2HG       ARG  11   6.175   5.377   7.975
   87    HG3  ARG  11          1HG       ARG  11   7.120   6.648   7.207
   88    HD2  ARG  11          2HD       ARG  11   7.382   7.791   9.305
   89    HD3  ARG  11          1HD       ARG  11   6.301   6.647  10.097
   90    HE   ARG  11           HE       ARG  11   8.190   5.012   9.198
   91   HH11  ARG  11          1HH1      ARG  11   8.596   8.119  10.846
   92   HH12  ARG  11          2HH1      ARG  11   9.983   7.645  11.694
   93   HH21  ARG  11          1HH2      ARG  11  10.079   4.356  10.370
   94   HH22  ARG  11          2HH2      ARG  11  10.844   5.458  11.428
   95    H    GLY  12           HN       GLY  12   3.634   9.014   5.344
   96    HA2  GLY  12          2HA       GLY  12   4.908  10.429   3.896
   97    HA3  GLY  12          1HA       GLY  12   5.805   9.003   3.369
   98    HA   PRO  13           HA       PRO  13   2.275   9.421   0.473
   99    HB2  PRO  13          2HB       PRO  13   3.560  10.119  -1.770
  100    HB3  PRO  13          1HB       PRO  13   3.133  11.314  -0.541
  101    HG2  PRO  13          2HG       PRO  13   5.780  10.136  -1.184
  102    HG3  PRO  13          1HG       PRO  13   5.391  11.731  -0.524
  103    HD2  PRO  13          2HD       PRO  13   6.258   9.439   0.937
  104    HD3  PRO  13          1HD       PRO  13   5.679  10.979   1.596
  105    H    CYS  14           HN       CYS  14   1.562   7.682  -0.690
  106    HA   CYS  14           HA       CYS  14   3.120   5.339  -0.988
  107    HB2  CYS  14          2HB       CYS  14   1.168   4.474  -2.240
  108    HB3  CYS  14          1HB       CYS  14   0.715   5.226  -0.711
  109    H    LEU  15           HN       LEU  15   3.175   8.119  -2.755
  110    HA   LEU  15           HA       LEU  15   3.562   7.246  -5.414
  111    HB2  LEU  15          2HB       LEU  15   4.677   9.673  -4.001
  112    HB3  LEU  15          1HB       LEU  15   4.621   9.445  -5.738
  113    HG   LEU  15           HG       LEU  15   2.208   9.698  -3.939
  114   HD11  LEU  15          1HD1      LEU  15   3.426  11.656  -5.866
  115   HD12  LEU  15          2HD1      LEU  15   3.422  11.787  -4.106
  116   HD13  LEU  15          3HD1      LEU  15   1.905  11.871  -5.001
  117   HD21  LEU  15          1HD2      LEU  15   1.744   8.316  -5.896
  118   HD22  LEU  15          2HD2      LEU  15   2.428   9.553  -6.948
  119   HD23  LEU  15          3HD2      LEU  15   0.952   9.884  -6.045
  120    H    ARG  16           HN       ARG  16   5.494   7.219  -2.572
  121    HA   ARG  16           HA       ARG  16   7.874   6.405  -3.973
  122    HB2  ARG  16          2HB       ARG  16   7.112   6.324  -1.039
  123    HB3  ARG  16          1HB       ARG  16   8.667   5.801  -1.658
  124    HG2  ARG  16          2HG       ARG  16   7.600   8.601  -1.953
  125    HG3  ARG  16          1HG       ARG  16   8.627   8.074  -0.623
  126    HD2  ARG  16          2HD       ARG  16   9.973   9.165  -2.293
  127    HD3  ARG  16          1HD       ARG  16  10.378   7.451  -2.255
  128    HE   ARG  16           HE       ARG  16   8.429   8.288  -4.220
  129   HH11  ARG  16          1HH1      ARG  16  11.854   7.669  -3.608
  130   HH12  ARG  16          2HH1      ARG  16  12.258   7.363  -5.234
  131   HH21  ARG  16          1HH2      ARG  16   8.971   7.834  -6.474
  132   HH22  ARG  16          2HH2      ARG  16  10.554   7.407  -6.907
  133    H    ARG  17           HN       ARG  17   6.722   4.897  -5.198
  134    HA   ARG  17           HA       ARG  17   5.112   2.875  -4.190
  135    HB2  ARG  17          2HB       ARG  17   5.355   1.782  -6.395
  136    HB3  ARG  17          1HB       ARG  17   4.929   3.482  -6.476
  137    HG2  ARG  17          2HG       ARG  17   7.256   4.026  -7.010
  138    HG3  ARG  17          1HG       ARG  17   7.647   2.304  -6.972
  139    HD2  ARG  17          2HD       ARG  17   5.652   3.624  -8.805
  140    HD3  ARG  17          1HD       ARG  17   7.267   3.092  -9.253
  141    HE   ARG  17           HE       ARG  17   6.267   0.835  -8.341
  142   HH11  ARG  17          1HH1      ARG  17   4.616   3.202 -10.396
  143   HH12  ARG  17          2HH1      ARG  17   3.812   2.015 -11.327
  144   HH21  ARG  17          1HH2      ARG  17   5.163  -0.756  -9.610
  145   HH22  ARG  17          2HH2      ARG  17   4.124  -0.267 -10.880
  146    H    SER  18           HN       SER  18   8.568   2.899  -4.649
  147    HA   SER  18           HA       SER  18   8.840   0.141  -4.155
  148    HB2  SER  18          2HB       SER  18  10.864   2.369  -3.866
  149    HB3  SER  18          1HB       SER  18  11.229   0.642  -3.853
  150    HG   SER  18           HG       SER  18  11.165   0.632  -5.878
  151    H    ASN  19           HN       ASN  19   8.899   3.011  -2.027
  152    HA   ASN  19           HA       ASN  19   9.523   1.519   0.323
  153    HB2  ASN  19          2HB       ASN  19   8.052   4.164   0.114
  154    HB3  ASN  19          1HB       ASN  19   8.557   3.427   1.624
  155   HD21  ASN  19          1HD2      ASN  19   9.258   5.957   0.765
  156   HD22  ASN  19          2HD2      ASN  19  10.969   6.007   0.525
  157    H    CYS  20           HN       CYS  20   6.563   2.504  -1.219
  158    HA   CYS  20           HA       CYS  20   4.706   1.572   0.643
  159    HB2  CYS  20          2HB       CYS  20   4.208   3.010  -1.349
  160    HB3  CYS  20          1HB       CYS  20   4.489   1.628  -2.388
  161    H    ALA  21           HN       ALA  21   6.178  -0.092  -2.163
  162    HA   ALA  21           HA       ALA  21   4.990  -2.588  -1.720
  163    HB1  ALA  21          1HB       ALA  21   6.052  -1.948  -3.840
  164    HB2  ALA  21          2HB       ALA  21   6.697  -3.469  -3.220
  165    HB3  ALA  21          3HB       ALA  21   7.629  -1.981  -3.053
  166    H    ASN  22           HN       ASN  22   8.002  -1.187  -0.542
  167    HA   ASN  22           HA       ASN  22   9.027  -3.516   0.674
  168    HB2  ASN  22          2HB       ASN  22   9.588  -0.610   1.261
  169    HB3  ASN  22          1HB       ASN  22  10.406  -1.918   2.096
  170   HD21  ASN  22          1HD2      ASN  22  11.549   0.114   0.461
  171   HD22  ASN  22          2HD2      ASN  22  12.353  -0.686  -0.836
  172    H    VAL  23           HN       VAL  23   7.040  -0.914   2.032
  173    HA   VAL  23           HA       VAL  23   7.003  -2.008   4.634
  174    HB   VAL  23           HB       VAL  23   4.988  -0.141   3.310
  175   HG11  VAL  23          1HG1      VAL  23   3.937  -1.281   5.216
  176   HG12  VAL  23          2HG1      VAL  23   4.251   0.396   5.633
  177   HG13  VAL  23          3HG1      VAL  23   5.315  -0.876   6.222
  178   HG21  VAL  23          1HG2      VAL  23   7.306   0.364   5.165
  179   HG22  VAL  23          2HG2      VAL  23   6.128   1.577   4.707
  180   HG23  VAL  23          3HG2      VAL  23   7.182   0.865   3.476
  181    H    CYS  24           HN       CYS  24   4.791  -2.314   1.898
  182    HA   CYS  24           HA       CYS  24   3.032  -4.049   3.177
  183    HB2  CYS  24          2HB       CYS  24   3.657  -3.676   0.256
  184    HB3  CYS  24          1HB       CYS  24   2.325  -4.666   0.847
  185    H    ARG  25           HN       ARG  25   6.013  -4.691   1.395
  186    HA   ARG  25           HA       ARG  25   5.861  -7.466   1.378
  187    HB2  ARG  25          2HB       ARG  25   7.547  -6.309   0.070
  188    HB3  ARG  25          1HB       ARG  25   8.280  -5.653   1.521
  189    HG2  ARG  25          2HG       ARG  25   9.588  -7.495   0.549
  190    HG3  ARG  25          1HG       ARG  25   9.037  -7.853   2.183
  191    HD2  ARG  25          2HD       ARG  25   8.770  -9.804   0.757
  192    HD3  ARG  25          1HD       ARG  25   7.204  -9.182   1.264
  193    HE   ARG  25           HE       ARG  25   8.074  -8.192  -1.276
  194   HH11  ARG  25          1HH1      ARG  25   6.302 -10.793   0.369
  195   HH12  ARG  25          2HH1      ARG  25   5.502 -11.331  -1.033
  196   HH21  ARG  25          1HH2      ARG  25   7.007  -8.917  -3.173
  197   HH22  ARG  25          2HH2      ARG  25   5.933 -10.245  -3.140
  198    H    THR  26           HN       THR  26   7.245  -5.291   3.847
  199    HA   THR  26           HA       THR  26   7.869  -7.414   5.572
  200    HB   THR  26           HB       THR  26   7.915  -5.582   7.392
  201    HG1  THR  26          1HG       THR  26   6.587  -4.161   5.705
  202   HG21  THR  26          1HG2      THR  26  10.022  -4.658   6.530
  203   HG22  THR  26          2HG2      THR  26   9.636  -5.290   4.929
  204   HG23  THR  26          3HG2      THR  26   9.921  -6.399   6.270
  205    H    GLU  27           HN       GLU  27   4.893  -5.742   5.000
  206    HA   GLU  27           HA       GLU  27   3.597  -6.823   7.312
  207    HB2  GLU  27          2HB       GLU  27   2.514  -5.470   4.855
  208    HB3  GLU  27          1HB       GLU  27   1.496  -6.034   6.176
  209    HG2  GLU  27          2HG       GLU  27   3.685  -3.985   6.359
  210    HG3  GLU  27          1HG       GLU  27   1.947  -3.676   6.387
  211    H    GLY  28           HN       GLY  28   4.497  -8.152   4.370
  212    HA2  GLY  28          2HA       GLY  28   4.299 -10.525   4.101
  213    HA3  GLY  28          1HA       GLY  28   2.779 -10.452   4.964
  214    H    PHE  29           HN       PHE  29   3.172  -7.985   2.645
  215    HA   PHE  29           HA       PHE  29   1.357  -9.432   0.864
  216    HB2  PHE  29          2HB       PHE  29   1.583  -6.476   1.441
  217    HB3  PHE  29          1HB       PHE  29   0.522  -7.164   0.211
  218    HD1  PHE  29          1HD       PHE  29  -1.137  -8.948   1.039
  219    HD2  PHE  29          2HD       PHE  29   0.794  -6.157   3.588
  220    HE1  PHE  29          1HE       PHE  29  -2.880  -9.290   2.705
  221    HE2  PHE  29          2HE       PHE  29  -0.951  -6.486   5.283
  222    HZ   PHE  29           HZ       PHE  29  -2.802  -8.058   4.852
  223    HA   PRO  30           HA       PRO  30   4.294  -9.254  -2.431
  224    HB2  PRO  30          2HB       PRO  30   2.635  -8.660  -4.556
  225    HB3  PRO  30          1HB       PRO  30   2.855 -10.272  -3.869
  226    HG2  PRO  30          2HG       PRO  30   0.697  -8.270  -3.345
  227    HG3  PRO  30          1HG       PRO  30   0.562 -10.023  -3.577
  228    HD2  PRO  30          2HD       PRO  30   0.445  -8.967  -1.137
  229    HD3  PRO  30          1HD       PRO  30   1.317 -10.485  -1.418
  230    H    GLY  31           HN       GLY  31   2.097  -6.459  -2.213
  231    HA2  GLY  31          2HA       GLY  31   4.203  -4.619  -2.561
  232    HA3  GLY  31          1HA       GLY  31   3.324  -4.804  -4.075
  233    H    GLY  32           HN       GLY  32   2.979  -2.409  -3.496
  234    HA2  GLY  32          2HA       GLY  32   0.383  -2.233  -2.226
  235    HA3  GLY  32          1HA       GLY  32   1.680  -1.228  -1.575
  236    H    ARG  33           HN       ARG  33  -0.805  -0.475  -2.914
  237    HA   ARG  33           HA       ARG  33   0.341   1.088  -5.140
  238    HB2  ARG  33          2HB       ARG  33  -2.470  -0.050  -5.081
  239    HB3  ARG  33          1HB       ARG  33  -1.741   0.870  -6.382
  240    HG2  ARG  33          2HG       ARG  33  -0.971  -1.911  -5.506
  241    HG3  ARG  33          1HG       ARG  33  -1.878  -1.481  -6.953
  242    HD2  ARG  33          2HD       ARG  33   0.064  -0.278  -7.818
  243    HD3  ARG  33          1HD       ARG  33   0.939  -0.653  -6.331
  244    HE   ARG  33           HE       ARG  33  -0.059  -2.944  -7.697
  245   HH11  ARG  33          1HH1      ARG  33   2.669  -0.700  -7.449
  246   HH12  ARG  33          2HH1      ARG  33   3.811  -1.799  -8.074
  247   HH21  ARG  33          1HH2      ARG  33   1.530  -4.458  -8.594
  248   HH22  ARG  33          2HH2      ARG  33   3.142  -3.965  -8.778
  249    H    CYS  34           HN       CYS  34  -1.218   2.967  -5.622
  250    HA   CYS  34           HA       CYS  34  -1.916   4.214  -3.104
  251    HB2  CYS  34          2HB       CYS  34  -1.772   5.276  -5.924
  252    HB3  CYS  34          1HB       CYS  34  -2.307   6.225  -4.550
  253    H    ARG  35           HN       ARG  35  -3.893   4.292  -2.377
  254    HA   ARG  35           HA       ARG  35  -6.111   4.265  -4.301
  255    HB2  ARG  35          2HB       ARG  35  -6.127   2.031  -3.322
  256    HB3  ARG  35          1HB       ARG  35  -6.058   2.709  -1.698
  257    HG2  ARG  35          2HG       ARG  35  -8.265   3.782  -2.107
  258    HG3  ARG  35          1HG       ARG  35  -8.338   2.955  -3.655
  259    HD2  ARG  35          2HD       ARG  35  -8.113   1.588  -0.983
  260    HD3  ARG  35          1HD       ARG  35  -9.623   1.853  -1.848
  261    HE   ARG  35           HE       ARG  35  -7.679   0.457  -3.412
  262   HH11  ARG  35          1HH1      ARG  35 -10.035   0.016  -0.830
  263   HH12  ARG  35          2HH1      ARG  35 -10.381  -1.613  -1.244
  264   HH21  ARG  35          1HH2      ARG  35  -8.217  -1.748  -4.011
  265   HH22  ARG  35          2HH2      ARG  35  -9.376  -2.600  -3.101
  266    H    GLY  36           HN       GLY  36  -5.314   4.810  -0.901
  267    HA2  GLY  36          2HA       GLY  36  -7.482   6.533  -0.374
  268    HA3  GLY  36          1HA       GLY  36  -6.018   6.417   0.590
  269    H    PHE  37           HN       PHE  37  -7.742   8.662  -0.495
  270    HA   PHE  37           HA       PHE  37  -6.435  10.151  -2.446
  271    HB2  PHE  37          2HB       PHE  37  -8.726  10.616  -1.769
  272    HB3  PHE  37          1HB       PHE  37  -8.183  11.096  -0.165
  273    HD1  PHE  37          1HD       PHE  37  -7.613  13.330   0.274
  274    HD2  PHE  37          2HD       PHE  37  -7.949  12.002  -3.762
  275    HE1  PHE  37          1HE       PHE  37  -7.368  15.645  -0.508
  276    HE2  PHE  37          2HE       PHE  37  -7.708  14.316  -4.543
  277    HZ   PHE  37           HZ       PHE  37  -7.415  16.142  -2.919
  278    H    ARG  38           HN       ARG  38  -5.806   9.907   0.971
  279    HA   ARG  38           HA       ARG  38  -3.954  12.151   0.983
  280    HB2  ARG  38          2HB       ARG  38  -4.582  10.093   3.114
  281    HB3  ARG  38          1HB       ARG  38  -3.583  11.519   3.349
  282    HG2  ARG  38          2HG       ARG  38  -6.511  11.525   2.633
  283    HG3  ARG  38          1HG       ARG  38  -5.838  11.844   4.231
  284    HD2  ARG  38          2HD       ARG  38  -4.704  13.808   3.398
  285    HD3  ARG  38          1HD       ARG  38  -5.255  13.480   1.755
  286    HE   ARG  38           HE       ARG  38  -7.433  13.652   3.533
  287   HH11  ARG  38          1HH1      ARG  38  -5.102  15.777   1.909
  288   HH12  ARG  38          2HH1      ARG  38  -6.181  17.097   1.822
  289   HH21  ARG  38          1HH2      ARG  38  -8.863  15.411   3.395
  290   HH22  ARG  38          2HH2      ARG  38  -8.390  16.881   2.676
  291    H    ARG  39           HN       ARG  39  -3.497   9.978  -0.785
  292    HA   ARG  39           HA       ARG  39  -1.981   8.536  -1.589
  293    HB2  ARG  39          2HB       ARG  39  -0.109  10.467  -0.214
  294    HB3  ARG  39          1HB       ARG  39   0.417   9.229  -1.345
  295    HG2  ARG  39          2HG       ARG  39  -1.418  11.543  -1.945
  296    HG3  ARG  39          1HG       ARG  39   0.257  11.354  -2.473
  297    HD2  ARG  39          2HD       ARG  39  -0.404   9.321  -3.721
  298    HD3  ARG  39          1HD       ARG  39  -2.073   9.597  -3.227
  299    HE   ARG  39           HE       ARG  39  -1.070  11.883  -4.476
  300   HH11  ARG  39          1HH1      ARG  39  -2.270   8.626  -5.209
  301   HH12  ARG  39          2HH1      ARG  39  -2.606   8.970  -6.843
  302   HH21  ARG  39          1HH2      ARG  39  -1.618  12.355  -6.688
  303   HH22  ARG  39          2HH2      ARG  39  -2.231  11.131  -7.696
  304    H    ARG  40           HN       ARG  40  -3.112   7.287   0.079
  305    HA   ARG  40           HA       ARG  40  -1.381   6.309   2.196
  306    HB2  ARG  40          2HB       ARG  40  -4.201   5.609   1.437
  307    HB3  ARG  40          1HB       ARG  40  -3.369   5.005   2.858
  308    HG2  ARG  40          2HG       ARG  40  -4.000   7.909   2.322
  309    HG3  ARG  40          1HG       ARG  40  -4.961   6.839   3.335
  310    HD2  ARG  40          2HD       ARG  40  -3.595   8.101   4.815
  311    HD3  ARG  40          1HD       ARG  40  -2.902   6.490   4.720
  312    HE   ARG  40           HE       ARG  40  -1.702   8.402   2.933
  313   HH11  ARG  40          1HH1      ARG  40  -1.586   6.953   6.190
  314   HH12  ARG  40          2HH1      ARG  40  -0.011   7.484   6.515
  315   HH21  ARG  40          1HH2      ARG  40   0.539   9.102   3.408
  316   HH22  ARG  40          2HH2      ARG  40   1.178   8.703   4.920
  317    H    CYS  41           HN       CYS  41  -0.463   4.346   2.199
  318    HA   CYS  41           HA       CYS  41  -0.185   3.015  -0.336
  319    HB2  CYS  41          2HB       CYS  41   1.792   3.437   1.050
  320    HB3  CYS  41          1HB       CYS  41   1.093   2.493   2.355
  321    H    PHE  42           HN       PHE  42  -1.619   1.633  -0.914
  322    HA   PHE  42           HA       PHE  42  -2.904  -0.037   1.080
  323    HB2  PHE  42          2HB       PHE  42  -3.707   1.001  -1.553
  324    HB3  PHE  42          1HB       PHE  42  -4.397  -0.519  -1.031
  325    HD1  PHE  42          1HD       PHE  42  -6.257  -0.553   0.305
  326    HD2  PHE  42          2HD       PHE  42  -3.947   3.006   0.101
  327    HE1  PHE  42          1HE       PHE  42  -7.956   0.606   1.624
  328    HE2  PHE  42          2HE       PHE  42  -5.678   4.190   1.433
  329    HZ   PHE  42           HZ       PHE  42  -7.670   2.985   2.192
  330    H    CYS  43           HN       CYS  43  -2.004  -1.761   1.340
  331    HA   CYS  43           HA       CYS  43  -0.152  -2.989  -0.386
  332    HB2  CYS  43          2HB       CYS  43  -1.565  -4.043   2.059
  333    HB3  CYS  43          1HB       CYS  43  -0.191  -4.812   1.268
  334    H    THR  44           HN       THR  44  -0.481  -4.297  -1.931
  335    HA   THR  44           HA       THR  44  -3.131  -5.059  -2.702
  336    HB   THR  44           HB       THR  44  -0.419  -5.585  -3.911
  337    HG1  THR  44          1HG       THR  44  -1.783  -3.376  -3.646
  338   HG21  THR  44          1HG2      THR  44  -3.193  -5.790  -5.114
  339   HG22  THR  44          2HG2      THR  44  -2.170  -7.151  -4.673
  340   HG23  THR  44          3HG2      THR  44  -1.673  -6.069  -5.970
  341    H    THR  45           HN       THR  45  -3.973  -7.034  -2.288
  342    HA   THR  45           HA       THR  45  -2.096  -9.144  -1.699
  343    HB   THR  45           HB       THR  45  -3.114  -8.409   0.425
  344    HG1  THR  45          1HG       THR  45  -4.321 -10.644   0.664
  345   HG21  THR  45          1HG2      THR  45  -5.282  -7.589  -0.387
  346   HG22  THR  45          2HG2      THR  45  -5.513  -8.802   0.874
  347   HG23  THR  45          3HG2      THR  45  -5.747  -9.234  -0.820
  348    H    HIS  46           HN       HIS  46  -2.789 -11.127  -2.269
  349    HA   HIS  46           HA       HIS  46  -4.288 -11.214  -4.693
  350    HB2  HIS  46          2HB       HIS  46  -3.217 -13.490  -2.985
  351    HB3  HIS  46          1HB       HIS  46  -3.830 -13.653  -4.629
  352    HD1  HIS  46          1HD       HIS  46  -0.776 -12.785  -2.731
  353    HD2  HIS  46          2HD       HIS  46  -2.193 -12.403  -6.612
  354    HE1  HIS  46          1HE       HIS  46   1.227 -12.202  -4.146
  355    H    CYS  47           HN       CYS  47  -6.366 -11.271  -4.792
  356    HA   CYS  47           HA       CYS  47  -7.848 -11.433  -2.334
  357    HB2  CYS  47          2HB       CYS  47  -8.091  -9.649  -4.178
  358    HB3  CYS  47          1HB       CYS  47  -8.973 -10.883  -5.066
  Start of MODEL   17
    1    H1   ARG   1          1HT       ARG   1  -9.742 -12.429  -6.368
    2    H2   ARG   1          2HT       ARG   1  -8.716 -12.324  -7.671
    3    H3   ARG   1          3HT       ARG   1 -10.388 -12.390  -7.931
    4    HA   ARG   1           HA       ARG   1  -9.552 -10.133  -8.196
    5    HB2  ARG   1          2HB       ARG   1 -11.161 -10.619  -5.699
    6    HB3  ARG   1          1HB       ARG   1 -10.828  -9.020  -6.327
    7    HG2  ARG   1          2HG       ARG   1 -12.024  -9.594  -8.382
    8    HG3  ARG   1          1HG       ARG   1 -12.372 -11.192  -7.717
    9    HD2  ARG   1          2HD       ARG   1 -14.223  -9.544  -7.463
   10    HD3  ARG   1          1HD       ARG   1 -13.677 -10.249  -5.938
   11    HE   ARG   1           HE       ARG   1 -12.330  -8.135  -5.721
   12   HH11  ARG   1          1HH1      ARG   1 -15.486  -8.191  -7.356
   13   HH12  ARG   1          2HH1      ARG   1 -15.803  -6.550  -7.115
   14   HH21  ARG   1          1HH2      ARG   1 -12.768  -5.866  -5.352
   15   HH22  ARG   1          2HH2      ARG   1 -14.185  -5.167  -5.976
   16    H    THR   2           HN       THR   2  -8.543  -8.321  -7.245
   17    HA   THR   2           HA       THR   2  -6.698  -9.079  -5.169
   18    HB   THR   2           HB       THR   2  -5.620  -8.033  -7.058
   19    HG1  THR   2          1HG       THR   2  -4.875  -7.530  -4.915
   20   HG21  THR   2          1HG2      THR   2  -6.047  -5.682  -7.699
   21   HG22  THR   2          2HG2      THR   2  -7.389  -5.632  -6.555
   22   HG23  THR   2          3HG2      THR   2  -7.466  -6.697  -7.957
   23    H    CYS   3           HN       CYS   3  -6.382  -7.668  -3.529
   24    HA   CYS   3           HA       CYS   3  -8.721  -6.143  -2.669
   25    HB2  CYS   3          2HB       CYS   3  -7.242  -8.239  -1.039
   26    HB3  CYS   3          1HB       CYS   3  -8.560  -7.236  -0.442
   27    H    GLN   4           HN       GLN   4  -8.119  -4.305  -1.615
   28    HA   GLN   4           HA       GLN   4  -5.243  -3.960  -1.286
   29    HB2  GLN   4          2HB       GLN   4  -7.339  -2.046  -2.275
   30    HB3  GLN   4          1HB       GLN   4  -5.750  -1.495  -1.774
   31    HG2  GLN   4          2HG       GLN   4  -4.686  -2.775  -3.443
   32    HG3  GLN   4          1HG       GLN   4  -6.184  -3.607  -3.870
   33   HE21  GLN   4          1HE2      GLN   4  -4.396  -2.144  -5.573
   34   HE22  GLN   4          2HE2      GLN   4  -5.323  -0.878  -6.289
   35    H    SER   5           HN       SER   5  -4.612  -3.692   0.647
   36    HA   SER   5           HA       SER   5  -6.513  -2.710   2.676
   37    HB2  SER   5          2HB       SER   5  -5.929  -5.121   2.930
   38    HB3  SER   5          1HB       SER   5  -4.224  -4.691   2.992
   39    HG   SER   5           HG       SER   5  -4.610  -3.583   4.898
   40    H    GLN   6           HN       GLN   6  -5.856  -0.906   3.741
   41    HA   GLN   6           HA       GLN   6  -3.686   0.626   2.900
   42    HB2  GLN   6          2HB       GLN   6  -5.587   1.598   4.098
   43    HB3  GLN   6          1HB       GLN   6  -5.134   0.717   5.551
   44    HG2  GLN   6          2HG       GLN   6  -2.955   1.970   5.513
   45    HG3  GLN   6          1HG       GLN   6  -3.628   2.961   4.228
   46   HE21  GLN   6          1HE2      GLN   6  -3.433   4.820   5.536
   47   HE22  GLN   6          2HE2      GLN   6  -4.528   5.107   6.837
   48    H    SER   7           HN       SER   7  -1.596   0.655   3.401
   49    HA   SER   7           HA       SER   7  -0.464  -1.272   5.144
   50    HB2  SER   7          2HB       SER   7   0.846   1.170   3.962
   51    HB3  SER   7          1HB       SER   7   1.591  -0.389   4.343
   52    HG   SER   7           HG       SER   7   0.864  -1.188   2.489
   53    H    HIS   8           HN       HIS   8  -1.140  -0.891   7.183
   54    HA   HIS   8           HA       HIS   8  -1.681   1.605   8.328
   55    HB2  HIS   8          2HB       HIS   8  -1.110  -1.025   9.673
   56    HB3  HIS   8          1HB       HIS   8  -1.788   0.388  10.478
   57    HD1  HIS   8          1HD       HIS   8  -2.802  -2.644   8.725
   58    HD2  HIS   8          2HD       HIS   8  -4.366   1.172   9.274
   59    HE1  HIS   8          1HE       HIS   8  -5.244  -2.812   8.176
   60    H    ARG   9           HN       ARG   9   1.171  -0.386   8.433
   61    HA   ARG   9           HA       ARG   9   2.490   1.374  10.326
   62    HB2  ARG   9          2HB       ARG   9   4.423  -0.116  10.097
   63    HB3  ARG   9          1HB       ARG   9   2.946  -1.013  10.426
   64    HG2  ARG   9          2HG       ARG   9   2.758  -1.525   8.036
   65    HG3  ARG   9          1HG       ARG   9   4.272  -0.670   7.764
   66    HD2  ARG   9          2HD       ARG   9   3.946  -3.047   9.566
   67    HD3  ARG   9          1HD       ARG   9   4.472  -3.137   7.900
   68    HE   ARG   9           HE       ARG   9   6.113  -1.375   9.427
   69   HH11  ARG   9          1HH1      ARG   9   5.443  -4.803   8.773
   70   HH12  ARG   9          2HH1      ARG   9   7.005  -5.344   9.125
   71   HH21  ARG   9          1HH2      ARG   9   8.293  -2.076   9.908
   72   HH22  ARG   9          2HH2      ARG   9   8.710  -3.729   9.779
   73    H    PHE  10           HN       PHE  10   1.805   1.919   7.246
   74    HA   PHE  10           HA       PHE  10   4.426   2.788   6.348
   75    HB2  PHE  10          2HB       PHE  10   2.785   1.840   4.729
   76    HB3  PHE  10          1HB       PHE  10   1.703   3.185   5.064
   77    HD1  PHE  10          1HD       PHE  10   4.888   2.199   3.550
   78    HD2  PHE  10          2HD       PHE  10   2.080   5.342   4.069
   79    HE1  PHE  10          1HE       PHE  10   6.014   3.478   1.822
   80    HE2  PHE  10          2HE       PHE  10   3.205   6.637   2.330
   81    HZ   PHE  10           HZ       PHE  10   5.182   5.717   1.192
   82    H    ARG  11           HN       ARG  11   5.062   4.908   6.175
   83    HA   ARG  11           HA       ARG  11   3.272   6.905   7.290
   84    HB2  ARG  11          2HB       ARG  11   5.184   7.908   8.512
   85    HB3  ARG  11          1HB       ARG  11   4.690   6.339   9.123
   86    HG2  ARG  11          2HG       ARG  11   6.565   5.301   7.939
   87    HG3  ARG  11          1HG       ARG  11   7.071   6.897   7.373
   88    HD2  ARG  11          2HD       ARG  11   7.359   7.635   9.652
   89    HD3  ARG  11          1HD       ARG  11   6.768   6.088  10.242
   90    HE   ARG  11           HE       ARG  11   9.040   5.829   8.529
   91   HH11  ARG  11          1HH1      ARG  11   8.045   6.469  11.859
   92   HH12  ARG  11          2HH1      ARG  11   9.496   5.936  12.547
   93   HH21  ARG  11          1HH2      ARG  11  11.020   5.086   9.457
   94   HH22  ARG  11          2HH2      ARG  11  11.234   5.100  11.155
   95    H    GLY  12           HN       GLY  12   3.399   8.883   6.392
   96    HA2  GLY  12          2HA       GLY  12   4.329  10.571   5.047
   97    HA3  GLY  12          1HA       GLY  12   5.462   9.388   4.394
   98    HA   PRO  13           HA       PRO  13   1.832   9.686   1.495
   99    HB2  PRO  13          2HB       PRO  13   3.058  10.814  -0.623
  100    HB3  PRO  13          1HB       PRO  13   2.336  11.792   0.656
  101    HG2  PRO  13          2HG       PRO  13   5.203  11.082   0.206
  102    HG3  PRO  13          1HG       PRO  13   4.504  12.626   0.726
  103    HD2  PRO  13          2HD       PRO  13   5.651  10.815   2.436
  104    HD3  PRO  13          1HD       PRO  13   4.393  11.966   2.922
  105    H    CYS  14           HN       CYS  14   1.526   8.149  -0.190
  106    HA   CYS  14           HA       CYS  14   3.500   6.083  -0.262
  107    HB2  CYS  14          2HB       CYS  14   1.927   4.823  -1.584
  108    HB3  CYS  14          1HB       CYS  14   1.062   5.619  -0.275
  109    H    LEU  15           HN       LEU  15   3.742   8.858  -1.687
  110    HA   LEU  15           HA       LEU  15   4.121   8.484  -4.443
  111    HB2  LEU  15          2HB       LEU  15   5.603  10.330  -2.573
  112    HB3  LEU  15          1HB       LEU  15   5.631  10.437  -4.319
  113    HG   LEU  15           HG       LEU  15   3.210  10.863  -2.573
  114   HD11  LEU  15          1HD1      LEU  15   4.935  12.800  -4.100
  115   HD12  LEU  15          2HD1      LEU  15   4.808  12.662  -2.343
  116   HD13  LEU  15          3HD1      LEU  15   3.422  13.199  -3.290
  117   HD21  LEU  15          1HD2      LEU  15   2.132  11.640  -4.629
  118   HD22  LEU  15          2HD2      LEU  15   2.600   9.946  -4.748
  119   HD23  LEU  15          3HD2      LEU  15   3.565  11.188  -5.548
  120    H    ARG  16           HN       ARG  16   6.053   7.705  -1.704
  121    HA   ARG  16           HA       ARG  16   8.263   6.830  -3.345
  122    HB2  ARG  16          2HB       ARG  16   7.764   6.288  -0.407
  123    HB3  ARG  16          1HB       ARG  16   9.275   6.071  -1.272
  124    HG2  ARG  16          2HG       ARG  16   7.913   8.685  -0.681
  125    HG3  ARG  16          1HG       ARG  16   9.349   8.045   0.118
  126    HD2  ARG  16          2HD       ARG  16  10.563   8.142  -2.002
  127    HD3  ARG  16          1HD       ARG  16   9.120   8.777  -2.799
  128    HE   ARG  16           HE       ARG  16   9.972  10.252  -0.508
  129   HH11  ARG  16          1HH1      ARG  16  10.337   9.925  -4.018
  130   HH12  ARG  16          2HH1      ARG  16  10.858  11.522  -4.260
  131   HH21  ARG  16          1HH2      ARG  16  10.624  12.472  -0.839
  132   HH22  ARG  16          2HH2      ARG  16  11.036  13.001  -2.412
  133    H    ARG  17           HN       ARG  17   7.160   5.375  -4.652
  134    HA   ARG  17           HA       ARG  17   5.457   3.341  -3.663
  135    HB2  ARG  17          2HB       ARG  17   6.925   3.515  -6.294
  136    HB3  ARG  17          1HB       ARG  17   5.914   2.148  -5.883
  137    HG2  ARG  17          2HG       ARG  17   4.666   3.617  -7.304
  138    HG3  ARG  17          1HG       ARG  17   3.979   3.708  -5.689
  139    HD2  ARG  17          2HD       ARG  17   5.101   5.812  -5.299
  140    HD3  ARG  17          1HD       ARG  17   5.931   5.688  -6.846
  141    HE   ARG  17           HE       ARG  17   3.138   5.559  -7.184
  142   HH11  ARG  17          1HH1      ARG  17   5.684   7.911  -6.500
  143   HH12  ARG  17          2HH1      ARG  17   4.871   9.209  -7.254
  144   HH21  ARG  17          1HH2      ARG  17   2.052   7.298  -8.202
  145   HH22  ARG  17          2HH2      ARG  17   2.745   8.854  -8.249
  146    H    SER  18           HN       SER  18   8.851   3.598  -4.007
  147    HA   SER  18           HA       SER  18   9.586   0.918  -3.785
  148    HB2  SER  18          2HB       SER  18  11.131   2.790  -4.383
  149    HB3  SER  18          1HB       SER  18  11.041   3.360  -2.720
  150    HG   SER  18           HG       SER  18  12.049   0.883  -3.640
  151    H    ASN  19           HN       ASN  19   8.877   3.392  -1.307
  152    HA   ASN  19           HA       ASN  19   9.431   1.608   0.869
  153    HB2  ASN  19          2HB       ASN  19   7.880   4.216   0.912
  154    HB3  ASN  19          1HB       ASN  19   8.318   3.295   2.339
  155   HD21  ASN  19          1HD2      ASN  19   8.961   5.970   1.946
  156   HD22  ASN  19          2HD2      ASN  19  10.672   6.097   1.839
  157    H    CYS  20           HN       CYS  20   6.597   2.696  -0.825
  158    HA   CYS  20           HA       CYS  20   4.587   1.582   0.754
  159    HB2  CYS  20          2HB       CYS  20   4.252   3.196  -1.120
  160    HB3  CYS  20          1HB       CYS  20   4.669   1.931  -2.258
  161    H    ALA  21           HN       ALA  21   6.226   0.182  -2.105
  162    HA   ALA  21           HA       ALA  21   4.994  -2.341  -1.912
  163    HB1  ALA  21          1HB       ALA  21   5.988  -1.490  -3.981
  164    HB2  ALA  21          2HB       ALA  21   6.669  -3.054  -3.526
  165    HB3  ALA  21          3HB       ALA  21   7.589  -1.575  -3.243
  166    H    ASN  22           HN       ASN  22   8.053  -1.045  -0.663
  167    HA   ASN  22           HA       ASN  22   9.126  -3.456   0.290
  168    HB2  ASN  22          2HB       ASN  22  10.457  -1.396   0.161
  169    HB3  ASN  22          1HB       ASN  22   9.473  -0.679   1.432
  170   HD21  ASN  22          1HD2      ASN  22  11.096  -0.400   2.845
  171   HD22  ASN  22          2HD2      ASN  22  11.915  -1.674   3.655
  172    H    VAL  23           HN       VAL  23   7.133  -1.034   1.974
  173    HA   VAL  23           HA       VAL  23   6.966  -2.356   4.419
  174    HB   VAL  23           HB       VAL  23   5.012  -0.432   3.103
  175   HG11  VAL  23          1HG1      VAL  23   3.756  -1.819   4.690
  176   HG12  VAL  23          2HG1      VAL  23   3.953  -0.185   5.325
  177   HG13  VAL  23          3HG1      VAL  23   4.962  -1.498   5.932
  178   HG21  VAL  23          1HG2      VAL  23   5.913   1.111   4.838
  179   HG22  VAL  23          2HG2      VAL  23   7.120   0.556   3.679
  180   HG23  VAL  23          3HG2      VAL  23   7.057  -0.151   5.291
  181    H    CYS  24           HN       CYS  24   4.753  -2.486   1.658
  182    HA   CYS  24           HA       CYS  24   3.099  -4.426   2.766
  183    HB2  CYS  24          2HB       CYS  24   3.670  -3.706  -0.090
  184    HB3  CYS  24          1HB       CYS  24   2.409  -4.845   0.368
  185    H    ARG  25           HN       ARG  25   6.082  -4.788   0.927
  186    HA   ARG  25           HA       ARG  25   6.033  -7.572   0.636
  187    HB2  ARG  25          2HB       ARG  25   7.660  -6.168  -0.543
  188    HB3  ARG  25          1HB       ARG  25   8.401  -5.717   0.984
  189    HG2  ARG  25          2HG       ARG  25   9.047  -8.062   1.339
  190    HG3  ARG  25          1HG       ARG  25   8.360  -8.478  -0.229
  191    HD2  ARG  25          2HD       ARG  25  10.762  -8.209  -0.395
  192    HD3  ARG  25          1HD       ARG  25   9.943  -6.942  -1.308
  193    HE   ARG  25           HE       ARG  25  10.344  -5.665   0.951
  194   HH11  ARG  25          1HH1      ARG  25  12.606  -7.750  -0.804
  195   HH12  ARG  25          2HH1      ARG  25  14.000  -6.974  -0.219
  196   HH21  ARG  25          1HH2      ARG  25  12.238  -4.562   1.702
  197   HH22  ARG  25          2HH2      ARG  25  13.784  -5.089   1.237
  198    H    THR  26           HN       THR  26   7.422  -5.541   3.229
  199    HA   THR  26           HA       THR  26   8.289  -7.725   4.769
  200    HB   THR  26           HB       THR  26   8.455  -6.052   6.670
  201    HG1  THR  26          1HG       THR  26   6.763  -4.639   5.178
  202   HG21  THR  26          1HG2      THR  26   9.687  -5.242   4.032
  203   HG22  THR  26          2HG2      THR  26  10.327  -6.457   5.135
  204   HG23  THR  26          3HG2      THR  26  10.270  -4.764   5.627
  205    H    GLU  27           HN       GLU  27   5.199  -6.194   4.507
  206    HA   GLU  27           HA       GLU  27   4.058  -7.379   6.845
  207    HB2  GLU  27          2HB       GLU  27   2.855  -6.099   4.400
  208    HB3  GLU  27          1HB       GLU  27   1.882  -6.742   5.717
  209    HG2  GLU  27          2HG       GLU  27   3.940  -4.574   5.969
  210    HG3  GLU  27          1HG       GLU  27   2.198  -4.323   5.843
  211    H    GLY  28           HN       GLY  28   4.842  -8.528   3.751
  212    HA2  GLY  28          2HA       GLY  28   4.745 -10.827   3.210
  213    HA3  GLY  28          1HA       GLY  28   3.413 -11.007   4.339
  214    H    PHE  29           HN       PHE  29   3.445  -8.389   2.068
  215    HA   PHE  29           HA       PHE  29   1.311  -9.709   0.563
  216    HB2  PHE  29          2HB       PHE  29   1.799  -6.782   1.132
  217    HB3  PHE  29          1HB       PHE  29   0.608  -7.359  -0.023
  218    HD1  PHE  29          1HD       PHE  29  -0.971  -9.251   1.051
  219    HD2  PHE  29          2HD       PHE  29   1.007  -6.157   3.181
  220    HE1  PHE  29          1HE       PHE  29  -2.659  -9.389   2.784
  221    HE2  PHE  29          2HE       PHE  29  -0.687  -6.290   4.953
  222    HZ   PHE  29           HZ       PHE  29  -2.536  -7.911   4.764
  223    HA   PRO  30           HA       PRO  30   3.664  -9.612  -3.202
  224    HB2  PRO  30          2HB       PRO  30   1.329  -8.208  -4.403
  225    HB3  PRO  30          1HB       PRO  30   2.185  -9.650  -4.963
  226    HG2  PRO  30          2HG       PRO  30  -0.181  -9.850  -3.786
  227    HG3  PRO  30          1HG       PRO  30   1.098 -11.034  -3.462
  228    HD2  PRO  30          2HD       PRO  30   0.103  -8.798  -1.760
  229    HD3  PRO  30          1HD       PRO  30   0.701 -10.403  -1.292
  230    H    GLY  31           HN       GLY  31   1.789  -6.550  -2.830
  231    HA2  GLY  31          2HA       GLY  31   4.199  -5.018  -2.945
  232    HA3  GLY  31          1HA       GLY  31   3.304  -4.977  -4.457
  233    H    GLY  32           HN       GLY  32   3.475  -2.621  -3.638
  234    HA2  GLY  32          2HA       GLY  32   1.109  -2.024  -1.999
  235    HA3  GLY  32          1HA       GLY  32   2.584  -1.058  -1.958
  236    H    ARG  33           HN       ARG  33  -0.122  -0.252  -2.672
  237    HA   ARG  33           HA       ARG  33   0.385   0.749  -5.394
  238    HB2  ARG  33          2HB       ARG  33  -1.144  -1.291  -5.133
  239    HB3  ARG  33          1HB       ARG  33  -2.314  -0.163  -4.463
  240    HG2  ARG  33          2HG       ARG  33  -2.882  -0.427  -6.713
  241    HG3  ARG  33          1HG       ARG  33  -2.024   1.116  -6.648
  242    HD2  ARG  33          2HD       ARG  33  -1.316  -0.287  -8.558
  243    HD3  ARG  33          1HD       ARG  33   0.010   0.061  -7.452
  244    HE   ARG  33           HE       ARG  33  -0.312  -2.181  -6.530
  245   HH11  ARG  33          1HH1      ARG  33  -1.710  -1.641  -9.769
  246   HH12  ARG  33          2HH1      ARG  33  -1.491  -3.255 -10.257
  247   HH21  ARG  33          1HH2      ARG  33  -0.015  -4.381  -7.256
  248   HH22  ARG  33          2HH2      ARG  33  -0.556  -4.849  -8.802
  249    H    CYS  34           HN       CYS  34  -0.685   2.692  -5.730
  250    HA   CYS  34           HA       CYS  34  -1.559   4.119  -3.308
  251    HB2  CYS  34          2HB       CYS  34  -0.562   5.157  -5.958
  252    HB3  CYS  34          1HB       CYS  34  -1.294   6.187  -4.737
  253    H    ARG  35           HN       ARG  35  -3.626   4.450  -3.050
  254    HA   ARG  35           HA       ARG  35  -5.204   5.095  -5.435
  255    HB2  ARG  35          2HB       ARG  35  -6.937   3.540  -5.145
  256    HB3  ARG  35          1HB       ARG  35  -5.487   2.606  -4.812
  257    HG2  ARG  35          2HG       ARG  35  -5.876   2.747  -2.451
  258    HG3  ARG  35          1HG       ARG  35  -7.247   3.827  -2.708
  259    HD2  ARG  35          2HD       ARG  35  -8.313   2.002  -4.035
  260    HD3  ARG  35          1HD       ARG  35  -7.002   0.945  -3.520
  261    HE   ARG  35           HE       ARG  35  -8.240   2.224  -1.326
  262   HH11  ARG  35          1HH1      ARG  35  -8.577  -0.501  -3.548
  263   HH12  ARG  35          2HH1      ARG  35  -9.658  -1.375  -2.573
  264   HH21  ARG  35          1HH2      ARG  35  -9.725   1.023   0.040
  265   HH22  ARG  35          2HH2      ARG  35 -10.342  -0.470  -0.486
  266    H    GLY  36           HN       GLY  36  -4.381   5.815  -2.294
  267    HA2  GLY  36          2HA       GLY  36  -6.944   6.843  -1.499
  268    HA3  GLY  36          1HA       GLY  36  -5.429   6.968  -0.606
  269    H    PHE  37           HN       PHE  37  -7.502   8.947  -1.428
  270    HA   PHE  37           HA       PHE  37  -6.404  10.728  -3.365
  271    HB2  PHE  37          2HB       PHE  37  -8.141  11.586  -1.058
  272    HB3  PHE  37          1HB       PHE  37  -8.122  12.204  -2.703
  273    HD1  PHE  37          1HD       PHE  37  -9.727  10.083  -0.412
  274    HD2  PHE  37          2HD       PHE  37  -8.909  10.540  -4.551
  275    HE1  PHE  37          1HE       PHE  37 -11.573   8.588  -0.921
  276    HE2  PHE  37          2HE       PHE  37 -10.784   9.034  -5.083
  277    HZ   PHE  37           HZ       PHE  37 -12.121   8.054  -3.265
  278    H    ARG  38           HN       ARG  38  -6.028  10.097  -0.055
  279    HA   ARG  38           HA       ARG  38  -4.474  12.463   0.574
  280    HB2  ARG  38          2HB       ARG  38  -5.195  10.042   2.240
  281    HB3  ARG  38          1HB       ARG  38  -4.498  11.541   2.843
  282    HG2  ARG  38          2HG       ARG  38  -6.495  12.768   2.230
  283    HG3  ARG  38          1HG       ARG  38  -7.179  11.332   1.480
  284    HD2  ARG  38          2HD       ARG  38  -8.173  11.698   3.648
  285    HD3  ARG  38          1HD       ARG  38  -7.219  10.220   3.660
  286    HE   ARG  38           HE       ARG  38  -5.463  11.929   4.622
  287   HH11  ARG  38          1HH1      ARG  38  -8.897  11.622   5.402
  288   HH12  ARG  38          2HH1      ARG  38  -8.718  12.056   7.032
  289   HH21  ARG  38          1HH2      ARG  38  -5.204  12.521   6.897
  290   HH22  ARG  38          2HH2      ARG  38  -6.568  12.596   7.906
  291    H    ARG  39           HN       ARG  39  -3.787  10.030  -1.249
  292    HA   ARG  39           HA       ARG  39  -2.011   8.866  -1.938
  293    HB2  ARG  39          2HB       ARG  39  -0.499  10.904  -0.282
  294    HB3  ARG  39          1HB       ARG  39   0.255   9.800  -1.429
  295    HG2  ARG  39          2HG       ARG  39  -0.978  10.772  -3.245
  296    HG3  ARG  39          1HG       ARG  39  -1.859  11.818  -2.134
  297    HD2  ARG  39          2HD       ARG  39   0.189  12.979  -1.593
  298    HD3  ARG  39          1HD       ARG  39   1.114  11.870  -2.609
  299    HE   ARG  39           HE       ARG  39  -0.902  12.943  -4.164
  300   HH11  ARG  39          1HH1      ARG  39   1.969  14.207  -2.483
  301   HH12  ARG  39          2HH1      ARG  39   2.223  15.424  -3.653
  302   HH21  ARG  39          1HH2      ARG  39  -0.483  14.657  -5.736
  303   HH22  ARG  39          2HH2      ARG  39   0.872  15.663  -5.471
  304    H    ARG  40           HN       ARG  40  -3.218   7.414  -0.391
  305    HA   ARG  40           HA       ARG  40  -1.538   6.542   1.824
  306    HB2  ARG  40          2HB       ARG  40  -4.358   5.804   1.049
  307    HB3  ARG  40          1HB       ARG  40  -3.478   5.014   2.345
  308    HG2  ARG  40          2HG       ARG  40  -3.360   7.149   3.541
  309    HG3  ARG  40          1HG       ARG  40  -4.247   7.927   2.225
  310    HD2  ARG  40          2HD       ARG  40  -6.153   6.478   2.614
  311    HD3  ARG  40          1HD       ARG  40  -5.276   5.609   3.868
  312    HE   ARG  40           HE       ARG  40  -5.243   8.193   4.690
  313   HH11  ARG  40          1HH1      ARG  40  -7.907   5.992   3.801
  314   HH12  ARG  40          2HH1      ARG  40  -8.982   6.662   4.938
  315   HH21  ARG  40          1HH2      ARG  40  -6.777   9.070   6.237
  316   HH22  ARG  40          2HH2      ARG  40  -8.360   8.431   6.289
  317    H    CYS  41           HN       CYS  41  -0.662   4.542   1.906
  318    HA   CYS  41           HA       CYS  41  -0.293   3.182  -0.616
  319    HB2  CYS  41          2HB       CYS  41   1.675   3.655   0.792
  320    HB3  CYS  41          1HB       CYS  41   0.951   2.769   2.122
  321    H    PHE  42           HN       PHE  42  -1.293   1.389  -1.116
  322    HA   PHE  42           HA       PHE  42  -2.704  -0.080   0.981
  323    HB2  PHE  42          2HB       PHE  42  -3.570   0.518  -1.839
  324    HB3  PHE  42          1HB       PHE  42  -4.247  -0.783  -0.865
  325    HD1  PHE  42          1HD       PHE  42  -3.815   2.877  -1.032
  326    HD2  PHE  42          2HD       PHE  42  -5.888  -0.383   0.698
  327    HE1  PHE  42          1HE       PHE  42  -5.427   4.450  -0.016
  328    HE2  PHE  42          2HE       PHE  42  -7.497   1.172   1.735
  329    HZ   PHE  42           HZ       PHE  42  -7.261   3.597   1.363
  330    H    CYS  43           HN       CYS  43  -1.958  -1.974   1.229
  331    HA   CYS  43           HA       CYS  43  -0.118  -3.187  -0.530
  332    HB2  CYS  43          2HB       CYS  43  -1.639  -4.262   1.840
  333    HB3  CYS  43          1HB       CYS  43  -0.366  -5.137   0.994
  334    H    THR  44           HN       THR  44  -0.518  -4.256  -2.235
  335    HA   THR  44           HA       THR  44  -3.222  -4.863  -3.041
  336    HB   THR  44           HB       THR  44  -0.612  -5.313  -4.511
  337    HG1  THR  44          1HG       THR  44  -1.541  -3.041  -3.643
  338   HG21  THR  44          1HG2      THR  44  -3.436  -4.817  -5.486
  339   HG22  THR  44          2HG2      THR  44  -2.614  -6.377  -5.488
  340   HG23  THR  44          3HG2      THR  44  -2.021  -5.065  -6.509
  341    H    THR  45           HN       THR  45  -3.897  -6.704  -2.013
  342    HA   THR  45           HA       THR  45  -2.119  -9.023  -2.111
  343    HB   THR  45           HB       THR  45  -2.636  -8.242   0.199
  344    HG1  THR  45          1HG       THR  45  -3.747 -10.367   0.814
  345   HG21  THR  45          1HG2      THR  45  -5.478  -8.979  -0.461
  346   HG22  THR  45          2HG2      THR  45  -4.889  -7.335  -0.213
  347   HG23  THR  45          3HG2      THR  45  -4.882  -8.488   1.124
  348    H    HIS  46           HN       HIS  46  -3.481 -11.084  -2.169
  349    HA   HIS  46           HA       HIS  46  -5.744 -10.706  -3.991
  350    HB2  HIS  46          2HB       HIS  46  -3.945 -13.129  -3.667
  351    HB3  HIS  46          1HB       HIS  46  -5.291 -12.991  -4.789
  352    HD1  HIS  46          1HD       HIS  46  -1.848 -13.069  -4.982
  353    HD2  HIS  46          2HD       HIS  46  -4.662 -10.373  -6.413
  354    HE1  HIS  46          1HE       HIS  46  -0.735 -11.873  -6.903
  355    H    CYS  47           HN       CYS  47  -7.627 -11.877  -3.491
  356    HA   CYS  47           HA       CYS  47  -7.571 -12.907  -0.792
  357    HB2  CYS  47          2HB       CYS  47  -9.846 -11.730  -2.366
  358    HB3  CYS  47          1HB       CYS  47 -10.091 -12.596  -0.850
  Start of MODEL   18
    1    H1   ARG   1          1HT       ARG   1 -10.208  -8.138  -8.650
    2    H2   ARG   1          2HT       ARG   1  -9.831  -7.873 -10.263
    3    H3   ARG   1          3HT       ARG   1  -9.000  -7.042  -9.044
    4    HA   ARG   1           HA       ARG   1  -8.980  -9.959  -9.513
    5    HB2  ARG   1          2HB       ARG   1  -7.722  -8.666 -11.206
    6    HB3  ARG   1          1HB       ARG   1  -6.785  -7.912  -9.925
    7    HG2  ARG   1          2HG       ARG   1  -5.942 -10.141  -9.288
    8    HG3  ARG   1          1HG       ARG   1  -6.808 -10.825 -10.663
    9    HD2  ARG   1          2HD       ARG   1  -5.534  -9.309 -12.150
   10    HD3  ARG   1          1HD       ARG   1  -4.612  -8.774 -10.746
   11    HE   ARG   1           HE       ARG   1  -4.668 -11.606 -11.228
   12   HH11  ARG   1          1HH1      ARG   1  -2.897  -8.565 -11.711
   13   HH12  ARG   1          2HH1      ARG   1  -1.416  -9.329 -12.064
   14   HH21  ARG   1          1HH2      ARG   1  -2.612 -12.639 -11.730
   15   HH22  ARG   1          2HH2      ARG   1  -1.245 -11.690 -12.062
   16    H    THR   2           HN       THR   2  -7.100  -7.379  -7.885
   17    HA   THR   2           HA       THR   2  -6.672  -9.276  -5.727
   18    HB   THR   2           HB       THR   2  -4.821  -7.646  -5.171
   19    HG1  THR   2          1HG       THR   2  -4.606  -6.698  -7.681
   20   HG21  THR   2          1HG2      THR   2  -4.389  -9.783  -6.341
   21   HG22  THR   2          2HG2      THR   2  -3.320  -8.507  -6.923
   22   HG23  THR   2          3HG2      THR   2  -4.715  -8.993  -7.885
   23    H    CYS   3           HN       CYS   3  -6.502  -8.232  -3.567
   24    HA   CYS   3           HA       CYS   3  -8.540  -6.180  -3.230
   25    HB2  CYS   3          2HB       CYS   3  -7.523  -8.373  -1.404
   26    HB3  CYS   3          1HB       CYS   3  -8.625  -7.092  -0.865
   27    H    GLN   4           HN       GLN   4  -7.990  -4.528  -1.783
   28    HA   GLN   4           HA       GLN   4  -5.113  -4.276  -1.359
   29    HB2  GLN   4          2HB       GLN   4  -7.024  -2.144  -2.296
   30    HB3  GLN   4          1HB       GLN   4  -5.358  -1.850  -1.817
   31    HG2  GLN   4          2HG       GLN   4  -4.568  -3.315  -3.569
   32    HG3  GLN   4          1HG       GLN   4  -6.231  -3.647  -4.055
   33   HE21  GLN   4          1HE2      GLN   4  -7.384  -2.043  -5.098
   34   HE22  GLN   4          2HE2      GLN   4  -6.622  -0.700  -5.837
   35    H    SER   5           HN       SER   5  -4.479  -3.793   0.559
   36    HA   SER   5           HA       SER   5  -6.487  -2.990   2.544
   37    HB2  SER   5          2HB       SER   5  -4.099  -4.808   2.904
   38    HB3  SER   5          1HB       SER   5  -5.293  -4.390   4.141
   39    HG   SER   5           HG       SER   5  -6.850  -5.210   2.566
   40    H    GLN   6           HN       GLN   6  -5.870  -1.473   4.034
   41    HA   GLN   6           HA       GLN   6  -3.918   0.427   3.307
   42    HB2  GLN   6          2HB       GLN   6  -5.960   1.002   4.450
   43    HB3  GLN   6          1HB       GLN   6  -5.518   0.013   5.831
   44    HG2  GLN   6          2HG       GLN   6  -3.647   1.562   6.285
   45    HG3  GLN   6          1HG       GLN   6  -4.181   2.562   4.932
   46   HE21  GLN   6          1HE2      GLN   6  -4.604   4.331   6.281
   47   HE22  GLN   6          2HE2      GLN   6  -5.953   4.367   7.342
   48    H    SER   7           HN       SER   7  -1.810   0.641   3.924
   49    HA   SER   7           HA       SER   7  -0.644  -1.369   5.605
   50    HB2  SER   7          2HB       SER   7   1.486  -0.071   4.999
   51    HB3  SER   7          1HB       SER   7   0.631  -0.846   3.665
   52    HG   SER   7           HG       SER   7  -0.017   1.040   2.932
   53    H    HIS   8           HN       HIS   8   0.011  -1.087   7.638
   54    HA   HIS   8           HA       HIS   8  -0.987   1.366   8.866
   55    HB2  HIS   8          2HB       HIS   8  -0.519  -1.343  10.087
   56    HB3  HIS   8          1HB       HIS   8  -1.000   0.078  11.004
   57    HD1  HIS   8          1HD       HIS   8  -3.479   0.964  10.589
   58    HD2  HIS   8          2HD       HIS   8  -2.514  -2.589   8.668
   59    HE1  HIS   8          1HE       HIS   8  -5.664  -0.042   9.855
   60    H    ARG   9           HN       ARG   9   1.974  -0.258   8.273
   61    HA   ARG   9           HA       ARG   9   3.193   1.538  10.255
   62    HB2  ARG   9          2HB       ARG   9   5.270   0.141  10.075
   63    HB3  ARG   9          1HB       ARG   9   3.884  -0.740  10.688
   64    HG2  ARG   9          2HG       ARG   9   3.566  -1.741   8.484
   65    HG3  ARG   9          1HG       ARG   9   4.956  -0.836   7.893
   66    HD2  ARG   9          2HD       ARG   9   5.087  -2.792  10.170
   67    HD3  ARG   9          1HD       ARG   9   5.402  -3.234   8.496
   68    HE   ARG   9           HE       ARG   9   6.981  -1.038   9.180
   69   HH11  ARG   9          1HH1      ARG   9   6.743  -4.484  10.004
   70   HH12  ARG   9          2HH1      ARG   9   8.404  -4.697  10.246
   71   HH21  ARG   9          1HH2      ARG   9   9.316  -1.347   9.464
   72   HH22  ARG   9          2HH2      ARG   9   9.910  -2.884   9.870
   73    H    PHE  10           HN       PHE  10   2.227   1.898   7.436
   74    HA   PHE  10           HA       PHE  10   4.509   2.736   5.937
   75    HB2  PHE  10          2HB       PHE  10   2.437   2.003   4.819
   76    HB3  PHE  10          1HB       PHE  10   1.578   3.352   5.536
   77    HD1  PHE  10          1HD       PHE  10   1.134   5.107   4.087
   78    HD2  PHE  10          2HD       PHE  10   4.717   2.867   3.539
   79    HE1  PHE  10          1HE       PHE  10   1.729   6.497   2.159
   80    HE2  PHE  10          2HE       PHE  10   5.289   4.240   1.638
   81    HZ   PHE  10           HZ       PHE  10   3.807   6.062   0.933
   82    H    ARG  11           HN       ARG  11   5.495   4.544   5.964
   83    HA   ARG  11           HA       ARG  11   4.252   6.895   7.104
   84    HB2  ARG  11          2HB       ARG  11   6.490   7.413   8.157
   85    HB3  ARG  11          1HB       ARG  11   5.573   6.117   8.911
   86    HG2  ARG  11          2HG       ARG  11   6.957   4.474   7.743
   87    HG3  ARG  11          1HG       ARG  11   7.875   5.784   7.004
   88    HD2  ARG  11          2HD       ARG  11   8.594   6.542   9.170
   89    HD3  ARG  11          1HD       ARG  11   7.601   5.311   9.955
   90    HE   ARG  11           HE       ARG  11   9.202   3.939   8.241
   91   HH11  ARG  11          1HH1      ARG  11   9.837   6.115  10.945
   92   HH12  ARG  11          2HH1      ARG  11  11.290   5.367  11.398
   93   HH21  ARG  11          1HH2      ARG  11  11.188   2.916   8.835
   94   HH22  ARG  11          2HH2      ARG  11  12.084   3.490  10.172
   95    H    GLY  12           HN       GLY  12   4.288   8.381   5.574
   96    HA2  GLY  12          2HA       GLY  12   5.918   9.814   4.311
   97    HA3  GLY  12          1HA       GLY  12   6.470   8.292   3.618
   98    HA   PRO  13           HA       PRO  13   3.004   9.799   1.002
   99    HB2  PRO  13          2HB       PRO  13   4.359  10.480  -1.224
  100    HB3  PRO  13          1HB       PRO  13   4.149  11.598   0.127
  101    HG2  PRO  13          2HG       PRO  13   6.548  10.053  -0.693
  102    HG3  PRO  13          1HG       PRO  13   6.445  11.631   0.097
  103    HD2  PRO  13          2HD       PRO  13   6.978   9.161   1.342
  104    HD3  PRO  13          1HD       PRO  13   6.578  10.683   2.158
  105    H    CYS  14           HN       CYS  14   1.929   8.409  -0.283
  106    HA   CYS  14           HA       CYS  14   2.882   5.822  -0.833
  107    HB2  CYS  14          2HB       CYS  14   0.516   6.275  -0.565
  108    HB3  CYS  14          1HB       CYS  14   0.518   7.298  -1.993
  109    H    LEU  15           HN       LEU  15   3.262   8.717  -2.496
  110    HA   LEU  15           HA       LEU  15   3.377   7.788  -5.164
  111    HB2  LEU  15          2HB       LEU  15   4.317  10.339  -3.898
  112    HB3  LEU  15          1HB       LEU  15   4.663   9.995  -5.579
  113    HG   LEU  15           HG       LEU  15   2.204   9.862  -6.003
  114   HD11  LEU  15          1HD1      LEU  15   1.937  10.846  -3.173
  115   HD12  LEU  15          2HD1      LEU  15   1.398   9.292  -3.802
  116   HD13  LEU  15          3HD1      LEU  15   0.643  10.782  -4.370
  117   HD21  LEU  15          1HD2      LEU  15   3.421  11.899  -6.477
  118   HD22  LEU  15          2HD2      LEU  15   3.195  12.446  -4.816
  119   HD23  LEU  15          3HD2      LEU  15   1.803  12.273  -5.886
  120    H    ARG  16           HN       ARG  16   5.456   7.169  -2.717
  121    HA   ARG  16           HA       ARG  16   7.668   6.719  -4.570
  122    HB2  ARG  16          2HB       ARG  16   7.632   6.823  -1.552
  123    HB3  ARG  16          1HB       ARG  16   9.042   6.386  -2.508
  124    HG2  ARG  16          2HG       ARG  16   9.064   8.580  -3.537
  125    HG3  ARG  16          1HG       ARG  16   7.587   9.004  -2.668
  126    HD2  ARG  16          2HD       ARG  16   8.712   8.817  -0.578
  127    HD3  ARG  16          1HD       ARG  16  10.197   8.270  -1.369
  128    HE   ARG  16           HE       ARG  16   9.588  10.688  -2.487
  129   HH11  ARG  16          1HH1      ARG  16  10.137   9.548   0.797
  130   HH12  ARG  16          2HH1      ARG  16  10.875  10.969   1.349
  131   HH21  ARG  16          1HH2      ARG  16  10.617  12.675  -1.759
  132   HH22  ARG  16          2HH2      ARG  16  11.188  12.781  -0.145
  133    H    ARG  17           HN       ARG  17   7.226   4.864  -5.517
  134    HA   ARG  17           HA       ARG  17   5.743   2.745  -4.494
  135    HB2  ARG  17          2HB       ARG  17   6.159   3.119  -6.907
  136    HB3  ARG  17          1HB       ARG  17   7.832   2.628  -6.675
  137    HG2  ARG  17          2HG       ARG  17   6.981   0.414  -5.867
  138    HG3  ARG  17          1HG       ARG  17   5.371   0.931  -6.356
  139    HD2  ARG  17          2HD       ARG  17   7.770   0.695  -8.170
  140    HD3  ARG  17          1HD       ARG  17   6.454  -0.466  -8.050
  141    HE   ARG  17           HE       ARG  17   5.145   1.744  -8.667
  142   HH11  ARG  17          1HH1      ARG  17   8.019   0.251 -10.062
  143   HH12  ARG  17          2HH1      ARG  17   7.791   0.842 -11.632
  144   HH21  ARG  17          1HH2      ARG  17   4.764   2.584 -10.893
  145   HH22  ARG  17          2HH2      ARG  17   5.902   2.202 -12.095
  146    H    SER  18           HN       SER  18   9.190   3.409  -4.294
  147    HA   SER  18           HA       SER  18  10.118   0.919  -3.489
  148    HB2  SER  18          2HB       SER  18  11.938   2.276  -2.391
  149    HB3  SER  18          1HB       SER  18  11.639   2.699  -4.076
  150    HG   SER  18           HG       SER  18  11.627   4.242  -2.002
  151    H    ASN  19           HN       ASN  19   8.924   3.617  -1.586
  152    HA   ASN  19           HA       ASN  19   9.200   2.350   0.954
  153    HB2  ASN  19          2HB       ASN  19   9.265   4.808   0.636
  154    HB3  ASN  19          1HB       ASN  19   7.582   4.782   0.148
  155   HD21  ASN  19          1HD2      ASN  19   7.164   6.283   1.827
  156   HD22  ASN  19          2HD2      ASN  19   7.046   5.766   3.469
  157    H    CYS  20           HN       CYS  20   6.561   2.841  -1.275
  158    HA   CYS  20           HA       CYS  20   4.463   1.836   0.307
  159    HB2  CYS  20          2HB       CYS  20   4.131   3.232  -1.690
  160    HB3  CYS  20          1HB       CYS  20   4.780   1.959  -2.703
  161    H    ALA  21           HN       ALA  21   6.376   0.163  -2.269
  162    HA   ALA  21           HA       ALA  21   5.073  -2.307  -1.816
  163    HB1  ALA  21          1HB       ALA  21   6.736  -3.286  -3.271
  164    HB2  ALA  21          2HB       ALA  21   7.750  -1.858  -3.100
  165    HB3  ALA  21          3HB       ALA  21   6.203  -1.741  -3.945
  166    H    ASN  22           HN       ASN  22   8.044  -0.852  -0.517
  167    HA   ASN  22           HA       ASN  22   8.989  -3.180   0.737
  168    HB2  ASN  22          2HB       ASN  22  10.419  -1.210   0.441
  169    HB3  ASN  22          1HB       ASN  22   9.416  -0.299   1.561
  170   HD21  ASN  22          1HD2      ASN  22   9.653  -0.653   3.762
  171   HD22  ASN  22          2HD2      ASN  22  10.925  -1.588   4.432
  172    H    VAL  23           HN       VAL  23   6.870  -0.574   1.980
  173    HA   VAL  23           HA       VAL  23   6.709  -1.690   4.542
  174    HB   VAL  23           HB       VAL  23   6.049   0.686   4.053
  175   HG11  VAL  23          1HG1      VAL  23   4.740   0.436   2.062
  176   HG12  VAL  23          2HG1      VAL  23   3.731   1.155   3.326
  177   HG13  VAL  23          3HG1      VAL  23   3.561  -0.546   2.919
  178   HG21  VAL  23          1HG2      VAL  23   4.148   0.728   5.619
  179   HG22  VAL  23          2HG2      VAL  23   5.512  -0.258   6.133
  180   HG23  VAL  23          3HG2      VAL  23   4.060  -1.032   5.490
  181    H    CYS  24           HN       CYS  24   4.638  -2.069   1.701
  182    HA   CYS  24           HA       CYS  24   2.817  -3.757   2.965
  183    HB2  CYS  24          2HB       CYS  24   3.554  -3.358   0.090
  184    HB3  CYS  24          1HB       CYS  24   2.270  -4.462   0.567
  185    H    ARG  25           HN       ARG  25   5.856  -4.408   1.385
  186    HA   ARG  25           HA       ARG  25   5.625  -7.204   1.308
  187    HB2  ARG  25          2HB       ARG  25   7.276  -5.840   0.040
  188    HB3  ARG  25          1HB       ARG  25   8.127  -5.536   1.542
  189    HG2  ARG  25          2HG       ARG  25   8.647  -7.895   1.752
  190    HG3  ARG  25          1HG       ARG  25   7.716  -8.237   0.291
  191    HD2  ARG  25          2HD       ARG  25  10.142  -6.463   0.448
  192    HD3  ARG  25          1HD       ARG  25  10.121  -8.107  -0.195
  193    HE   ARG  25           HE       ARG  25   8.267  -6.922  -1.689
  194   HH11  ARG  25          1HH1      ARG  25  11.569  -5.872  -0.906
  195   HH12  ARG  25          2HH1      ARG  25  11.763  -4.986  -2.354
  196   HH21  ARG  25          1HH2      ARG  25   8.556  -5.727  -3.647
  197   HH22  ARG  25          2HH2      ARG  25  10.018  -4.876  -3.912
  198    H    THR  26           HN       THR  26   6.894  -4.992   3.791
  199    HA   THR  26           HA       THR  26   7.532  -7.237   5.451
  200    HB   THR  26           HB       THR  26   9.019  -5.299   5.599
  201    HG1  THR  26          1HG       THR  26   7.626  -6.209   7.814
  202   HG21  THR  26          1HG2      THR  26   7.421  -3.509   5.188
  203   HG22  THR  26          2HG2      THR  26   8.296  -3.209   6.693
  204   HG23  THR  26          3HG2      THR  26   6.641  -3.822   6.736
  205    H    GLU  27           HN       GLU  27   4.682  -5.408   4.934
  206    HA   GLU  27           HA       GLU  27   3.591  -6.428   7.401
  207    HB2  GLU  27          2HB       GLU  27   2.350  -4.685   5.265
  208    HB3  GLU  27          1HB       GLU  27   1.376  -5.400   6.546
  209    HG2  GLU  27          2HG       GLU  27   2.880  -4.294   8.206
  210    HG3  GLU  27          1HG       GLU  27   3.672  -3.479   6.865
  211    H    GLY  28           HN       GLY  28   4.356  -7.920   4.740
  212    HA2  GLY  28          2HA       GLY  28   3.941 -10.206   4.370
  213    HA3  GLY  28          1HA       GLY  28   2.479 -10.069   5.330
  214    H    PHE  29           HN       PHE  29   3.184  -7.899   2.693
  215    HA   PHE  29           HA       PHE  29   1.046  -9.179   1.170
  216    HB2  PHE  29          2HB       PHE  29   1.792  -6.282   1.430
  217    HB3  PHE  29          1HB       PHE  29   0.637  -6.891   0.244
  218    HD1  PHE  29          1HD       PHE  29  -1.348  -8.012   1.024
  219    HD2  PHE  29          2HD       PHE  29   1.159  -5.894   3.661
  220    HE1  PHE  29          1HE       PHE  29  -3.203  -7.881   2.645
  221    HE2  PHE  29          2HE       PHE  29  -0.650  -5.749   5.311
  222    HZ   PHE  29           HZ       PHE  29  -2.853  -6.750   4.802
  223    HA   PRO  30           HA       PRO  30   4.037  -9.693  -2.036
  224    HB2  PRO  30          2HB       PRO  30   2.380  -9.901  -4.186
  225    HB3  PRO  30          1HB       PRO  30   2.622 -11.198  -3.012
  226    HG2  PRO  30          2HG       PRO  30   0.395  -9.220  -3.223
  227    HG3  PRO  30          1HG       PRO  30   0.321 -10.949  -2.844
  228    HD2  PRO  30          2HD       PRO  30   0.157  -9.015  -0.950
  229    HD3  PRO  30          1HD       PRO  30   0.867 -10.609  -0.630
  230    H    GLY  31           HN       GLY  31   1.687  -7.062  -2.295
  231    HA2  GLY  31          2HA       GLY  31   3.721  -5.452  -3.585
  232    HA3  GLY  31          1HA       GLY  31   2.294  -5.771  -4.563
  233    H    GLY  32           HN       GLY  32   2.589  -3.241  -4.231
  234    HA2  GLY  32          2HA       GLY  32   0.435  -2.487  -2.483
  235    HA3  GLY  32          1HA       GLY  32   2.003  -1.812  -2.036
  236    H    ARG  33           HN       ARG  33  -0.486  -0.537  -3.081
  237    HA   ARG  33           HA       ARG  33   0.791   1.122  -5.057
  238    HB2  ARG  33          2HB       ARG  33  -0.217  -0.670  -6.445
  239    HB3  ARG  33          1HB       ARG  33  -1.771  -0.375  -5.674
  240    HG2  ARG  33          2HG       ARG  33  -1.728   0.599  -7.888
  241    HG3  ARG  33          1HG       ARG  33  -1.824   1.868  -6.668
  242    HD2  ARG  33          2HD       ARG  33   0.672   2.112  -6.871
  243    HD3  ARG  33          1HD       ARG  33   0.591   1.005  -8.241
  244    HE   ARG  33           HE       ARG  33  -1.233   3.048  -8.705
  245   HH11  ARG  33          1HH1      ARG  33   2.275   2.678  -8.452
  246   HH12  ARG  33          2HH1      ARG  33   2.620   4.017  -9.440
  247   HH21  ARG  33          1HH2      ARG  33  -0.760   4.884 -10.023
  248   HH22  ARG  33          2HH2      ARG  33   0.863   5.337 -10.337
  249    H    CYS  34           HN       CYS  34  -0.476   3.060  -5.402
  250    HA   CYS  34           HA       CYS  34  -1.703   4.084  -3.077
  251    HB2  CYS  34          2HB       CYS  34  -1.520   5.143  -5.888
  252    HB3  CYS  34          1HB       CYS  34  -2.116   6.073  -4.516
  253    H    ARG  35           HN       ARG  35  -3.806   4.622  -2.699
  254    HA   ARG  35           HA       ARG  35  -5.847   3.780  -4.597
  255    HB2  ARG  35          2HB       ARG  35  -5.440   1.721  -3.407
  256    HB3  ARG  35          1HB       ARG  35  -5.559   2.538  -1.866
  257    HG2  ARG  35          2HG       ARG  35  -7.544   1.224  -2.230
  258    HG3  ARG  35          1HG       ARG  35  -7.965   2.929  -2.286
  259    HD2  ARG  35          2HD       ARG  35  -7.502   1.205  -4.723
  260    HD3  ARG  35          1HD       ARG  35  -9.080   1.501  -4.001
  261    HE   ARG  35           HE       ARG  35  -8.223   3.987  -4.417
  262   HH11  ARG  35          1HH1      ARG  35  -8.327   1.231  -6.631
  263   HH12  ARG  35          2HH1      ARG  35  -8.412   2.188  -8.036
  264   HH21  ARG  35          1HH2      ARG  35  -8.396   5.279  -6.346
  265   HH22  ARG  35          2HH2      ARG  35  -8.504   4.504  -7.872
  266    H    GLY  36           HN       GLY  36  -5.117   5.178  -1.439
  267    HA2  GLY  36          2HA       GLY  36  -7.754   6.337  -1.241
  268    HA3  GLY  36          1HA       GLY  36  -6.431   6.518  -0.099
  269    H    PHE  37           HN       PHE  37  -7.901   8.658  -0.634
  270    HA   PHE  37           HA       PHE  37  -6.702  10.327  -2.708
  271    HB2  PHE  37          2HB       PHE  37  -8.386  11.287  -0.396
  272    HB3  PHE  37          1HB       PHE  37  -8.180  12.039  -1.968
  273    HD1  PHE  37          1HD       PHE  37  -9.337  11.042  -3.958
  274    HD2  PHE  37          2HD       PHE  37 -10.016   9.698   0.019
  275    HE1  PHE  37          1HE       PHE  37 -11.434   9.969  -4.676
  276    HE2  PHE  37          2HE       PHE  37 -12.070   8.629  -0.660
  277    HZ   PHE  37           HZ       PHE  37 -12.816   8.751  -3.027
  278    H    ARG  38           HN       ARG  38  -6.376   9.521   0.571
  279    HA   ARG  38           HA       ARG  38  -4.916  11.848   1.399
  280    HB2  ARG  38          2HB       ARG  38  -5.505   9.253   2.830
  281    HB3  ARG  38          1HB       ARG  38  -4.790  10.681   3.573
  282    HG2  ARG  38          2HG       ARG  38  -6.809  11.968   3.046
  283    HG3  ARG  38          1HG       ARG  38  -7.529  10.547   2.309
  284    HD2  ARG  38          2HD       ARG  38  -6.691  10.764   5.195
  285    HD3  ARG  38          1HD       ARG  38  -8.335  10.979   4.604
  286    HE   ARG  38           HE       ARG  38  -6.810   8.461   4.446
  287   HH11  ARG  38          1HH1      ARG  38  -9.900  10.170   4.843
  288   HH12  ARG  38          2HH1      ARG  38 -10.815   8.769   5.110
  289   HH21  ARG  38          1HH2      ARG  38  -8.076   6.519   4.829
  290   HH22  ARG  38          2HH2      ARG  38  -9.742   6.618   5.090
  291    H    ARG  39           HN       ARG  39  -3.955   9.665  -0.604
  292    HA   ARG  39           HA       ARG  39  -2.005   8.892  -1.407
  293    HB2  ARG  39          2HB       ARG  39  -0.787  10.966   0.428
  294    HB3  ARG  39          1HB       ARG  39   0.060  10.157  -0.888
  295    HG2  ARG  39          2HG       ARG  39  -1.531  11.117  -2.484
  296    HG3  ARG  39          1HG       ARG  39  -2.345  11.942  -1.157
  297    HD2  ARG  39          2HD       ARG  39  -0.234  13.148  -0.677
  298    HD3  ARG  39          1HD       ARG  39   0.485  12.368  -2.089
  299    HE   ARG  39           HE       ARG  39  -1.933  13.625  -2.772
  300   HH11  ARG  39          1HH1      ARG  39   1.482  14.357  -2.171
  301   HH12  ARG  39          2HH1      ARG  39   1.463  15.856  -2.966
  302   HH21  ARG  39          1HH2      ARG  39  -1.960  15.706  -3.889
  303   HH22  ARG  39          2HH2      ARG  39  -0.534  16.633  -3.975
  304    H    ARG  40           HN       ARG  40  -2.959   7.169   0.224
  305    HA   ARG  40           HA       ARG  40  -0.781   6.364   2.014
  306    HB2  ARG  40          2HB       ARG  40  -3.723   5.682   2.166
  307    HB3  ARG  40          1HB       ARG  40  -2.484   5.021   3.220
  308    HG2  ARG  40          2HG       ARG  40  -3.250   7.932   3.021
  309    HG3  ARG  40          1HG       ARG  40  -3.737   6.814   4.295
  310    HD2  ARG  40          2HD       ARG  40  -0.897   7.622   3.654
  311    HD3  ARG  40          1HD       ARG  40  -1.865   8.231   4.991
  312    HE   ARG  40           HE       ARG  40  -1.865   5.489   5.220
  313   HH11  ARG  40          1HH1      ARG  40   0.541   8.071   5.343
  314   HH12  ARG  40          2HH1      ARG  40   1.535   7.301   6.477
  315   HH21  ARG  40          1HH2      ARG  40  -0.430   4.352   6.750
  316   HH22  ARG  40          2HH2      ARG  40   0.987   5.144   7.260
  317    H    CYS  41           HN       CYS  41   0.121   4.433   1.716
  318    HA   CYS  41           HA       CYS  41  -0.251   3.165  -0.787
  319    HB2  CYS  41          2HB       CYS  41   1.966   3.337   0.187
  320    HB3  CYS  41          1HB       CYS  41   1.445   2.451   1.612
  321    H    PHE  42           HN       PHE  42  -1.527   1.532  -1.273
  322    HA   PHE  42           HA       PHE  42  -2.678   0.016   0.903
  323    HB2  PHE  42          2HB       PHE  42  -3.799   0.984  -1.663
  324    HB3  PHE  42          1HB       PHE  42  -4.324  -0.575  -1.042
  325    HD1  PHE  42          1HD       PHE  42  -6.227  -0.591   0.172
  326    HD2  PHE  42          2HD       PHE  42  -3.767   2.873   0.309
  327    HE1  PHE  42          1HE       PHE  42  -7.833   0.479   1.683
  328    HE2  PHE  42          2HE       PHE  42  -5.381   3.956   1.829
  329    HZ   PHE  42           HZ       PHE  42  -7.416   2.749   2.515
  330    H    CYS  43           HN       CYS  43  -2.077  -1.820   1.087
  331    HA   CYS  43           HA       CYS  43  -0.202  -3.068  -0.591
  332    HB2  CYS  43          2HB       CYS  43  -1.718  -4.039   1.803
  333    HB3  CYS  43          1HB       CYS  43  -0.300  -4.813   1.095
  334    H    THR  44           HN       THR  44  -0.556  -4.332  -2.178
  335    HA   THR  44           HA       THR  44  -3.237  -5.096  -2.943
  336    HB   THR  44           HB       THR  44  -0.555  -5.423  -4.307
  337    HG1  THR  44          1HG       THR  44  -1.804  -3.257  -3.737
  338   HG21  THR  44          1HG2      THR  44  -3.373  -5.538  -5.413
  339   HG22  THR  44          2HG2      THR  44  -2.302  -6.923  -5.196
  340   HG23  THR  44          3HG2      THR  44  -1.891  -5.661  -6.359
  341    H    THR  45           HN       THR  45  -4.001  -7.054  -2.360
  342    HA   THR  45           HA       THR  45  -2.099  -9.222  -1.915
  343    HB   THR  45           HB       THR  45  -2.991  -8.189   0.220
  344    HG1  THR  45          1HG       THR  45  -2.930 -10.128   1.157
  345   HG21  THR  45          1HG2      THR  45  -5.284  -7.731  -0.464
  346   HG22  THR  45          2HG2      THR  45  -5.264  -8.815   0.929
  347   HG23  THR  45          3HG2      THR  45  -5.576  -9.458  -0.683
  348    H    HIS  46           HN       HIS  46  -3.223 -11.317  -1.972
  349    HA   HIS  46           HA       HIS  46  -4.851 -11.453  -4.381
  350    HB2  HIS  46          2HB       HIS  46  -2.792 -12.843  -4.124
  351    HB3  HIS  46          1HB       HIS  46  -3.540 -13.652  -2.758
  352    HD1  HIS  46          1HD       HIS  46  -5.186 -15.592  -3.310
  353    HD2  HIS  46          2HD       HIS  46  -3.849 -13.489  -6.636
  354    HE1  HIS  46          1HE       HIS  46  -5.875 -16.954  -5.298
  355    H    CYS  47           HN       CYS  47  -6.969 -11.966  -4.347
  356    HA   CYS  47           HA       CYS  47  -8.019 -13.033  -1.881
  357    HB2  CYS  47          2HB       CYS  47  -9.253 -11.067  -3.757
  358    HB3  CYS  47          1HB       CYS  47 -10.276 -12.088  -2.748
  Start of MODEL   19
    1    H1   ARG   1          1HT       ARG   1 -12.483  -5.884  -6.361
    2    H2   ARG   1          2HT       ARG   1 -12.845  -7.483  -6.034
    3    H3   ARG   1          3HT       ARG   1 -13.804  -6.606  -7.096
    4    HA   ARG   1           HA       ARG   1 -12.405  -8.142  -8.257
    5    HB2  ARG   1          2HB       ARG   1 -13.053  -6.058  -9.370
    6    HB3  ARG   1          1HB       ARG   1 -11.660  -5.239  -8.690
    7    HG2  ARG   1          2HG       ARG   1 -11.324  -5.816 -11.045
    8    HG3  ARG   1          1HG       ARG   1 -10.163  -6.636  -9.999
    9    HD2  ARG   1          2HD       ARG   1 -11.507  -8.664 -10.101
   10    HD3  ARG   1          1HD       ARG   1 -12.681  -7.850 -11.136
   11    HE   ARG   1           HE       ARG   1 -10.326  -7.558 -12.417
   12   HH11  ARG   1          1HH1      ARG   1 -12.133 -10.382 -11.216
   13   HH12  ARG   1          2HH1      ARG   1 -11.530 -11.425 -12.409
   14   HH21  ARG   1          1HH2      ARG   1  -9.518  -9.011 -14.037
   15   HH22  ARG   1          2HH2      ARG   1 -10.012 -10.646 -14.041
   16    H    THR   2           HN       THR   2 -10.525  -5.898  -6.218
   17    HA   THR   2           HA       THR   2  -8.487  -7.925  -6.239
   18    HB   THR   2           HB       THR   2  -7.610  -6.226  -7.736
   19    HG1  THR   2          1HG       THR   2  -5.722  -6.419  -6.884
   20   HG21  THR   2          1HG2      THR   2  -8.895  -4.293  -7.025
   21   HG22  THR   2          2HG2      THR   2  -7.172  -3.914  -6.964
   22   HG23  THR   2          3HG2      THR   2  -8.052  -4.273  -5.478
   23    H    CYS   3           HN       CYS   3  -7.115  -7.644  -4.447
   24    HA   CYS   3           HA       CYS   3  -8.682  -6.740  -2.129
   25    HB2  CYS   3          2HB       CYS   3  -6.617  -8.913  -2.220
   26    HB3  CYS   3          1HB       CYS   3  -7.620  -8.504  -0.840
   27    H    GLN   4           HN       GLN   4  -7.797  -5.130  -1.084
   28    HA   GLN   4           HA       GLN   4  -4.896  -4.836  -1.064
   29    HB2  GLN   4          2HB       GLN   4  -6.796  -2.580  -1.741
   30    HB3  GLN   4          1HB       GLN   4  -5.075  -2.416  -1.438
   31    HG2  GLN   4          2HG       GLN   4  -4.632  -3.863  -3.397
   32    HG3  GLN   4          1HG       GLN   4  -6.363  -3.885  -3.726
   33   HE21  GLN   4          1HE2      GLN   4  -6.092  -2.907  -5.702
   34   HE22  GLN   4          2HE2      GLN   4  -5.676  -1.237  -5.868
   35    H    SER   5           HN       SER   5  -4.119  -4.251   0.806
   36    HA   SER   5           HA       SER   5  -6.031  -3.444   2.859
   37    HB2  SER   5          2HB       SER   5  -3.584  -5.188   3.168
   38    HB3  SER   5          1HB       SER   5  -4.710  -4.701   4.443
   39    HG   SER   5           HG       SER   5  -6.349  -5.657   3.008
   40    H    GLN   6           HN       GLN   6  -5.598  -1.596   3.802
   41    HA   GLN   6           HA       GLN   6  -3.417   0.038   3.039
   42    HB2  GLN   6          2HB       GLN   6  -4.310   1.585   4.825
   43    HB3  GLN   6          1HB       GLN   6  -5.479   1.104   3.607
   44    HG2  GLN   6          2HG       GLN   6  -6.309  -0.633   5.219
   45    HG3  GLN   6          1HG       GLN   6  -5.252   0.081   6.427
   46   HE21  GLN   6          1HE2      GLN   6  -6.987   0.594   7.722
   47   HE22  GLN   6          2HE2      GLN   6  -8.086   1.869   7.372
   48    H    SER   7           HN       SER   7  -1.400   0.078   3.781
   49    HA   SER   7           HA       SER   7  -0.629  -1.665   5.876
   50    HB2  SER   7          2HB       SER   7   0.885  -1.260   4.003
   51    HB3  SER   7          1HB       SER   7   1.000   0.446   4.447
   52    HG   SER   7           HG       SER   7   1.712  -1.705   6.158
   53    H    HIS   8           HN       HIS   8  -0.378  -1.319   7.901
   54    HA   HIS   8           HA       HIS   8  -1.219   1.188   9.069
   55    HB2  HIS   8          2HB       HIS   8  -1.865  -1.163   9.791
   56    HB3  HIS   8          1HB       HIS   8  -0.229  -1.267  10.417
   57    HD1  HIS   8          1HD       HIS   8   0.091  -0.464  12.817
   58    HD2  HIS   8          2HD       HIS   8  -3.384   1.000  11.071
   59    HE1  HIS   8          1HE       HIS   8  -1.175   0.694  14.655
   60    H    ARG   9           HN       ARG   9   1.689  -0.669   8.578
   61    HA   ARG   9           HA       ARG   9   3.150   0.967  10.489
   62    HB2  ARG   9          2HB       ARG   9   5.051  -0.529  10.112
   63    HB3  ARG   9          1HB       ARG   9   3.605  -1.448  10.490
   64    HG2  ARG   9          2HG       ARG   9   3.317  -1.941   8.102
   65    HG3  ARG   9          1HG       ARG   9   4.793  -1.035   7.769
   66    HD2  ARG   9          2HD       ARG   9   5.225  -3.422   7.808
   67    HD3  ARG   9          1HD       ARG   9   6.071  -2.631   9.150
   68    HE   ARG   9           HE       ARG   9   3.512  -4.054   9.409
   69   HH11  ARG   9          1HH1      ARG   9   6.879  -3.595  10.468
   70   HH12  ARG   9          2HH1      ARG   9   6.711  -4.475  11.907
   71   HH21  ARG   9          1HH2      ARG   9   3.299  -5.332  11.418
   72   HH22  ARG   9          2HH2      ARG   9   4.630  -5.482  12.471
   73    H    PHE  10           HN       PHE  10   2.132   1.570   7.573
   74    HA   PHE  10           HA       PHE  10   4.554   2.484   6.325
   75    HB2  PHE  10          2HB       PHE  10   2.608   1.707   4.971
   76    HB3  PHE  10          1HB       PHE  10   1.675   3.079   5.562
   77    HD1  PHE  10          1HD       PHE  10   4.726   2.175   3.673
   78    HD2  PHE  10          2HD       PHE  10   1.783   5.145   4.445
   79    HE1  PHE  10          1HE       PHE  10   5.640   3.545   1.856
   80    HE2  PHE  10          2HE       PHE  10   2.684   6.508   2.634
   81    HZ   PHE  10           HZ       PHE  10   4.616   5.721   1.330
   82    H    ARG  11           HN       ARG  11   4.951   4.723   5.819
   83    HA   ARG  11           HA       ARG  11   3.848   6.617   7.705
   84    HB2  ARG  11          2HB       ARG  11   6.240   7.315   8.243
   85    HB3  ARG  11          1HB       ARG  11   5.652   5.832   8.980
   86    HG2  ARG  11          2HG       ARG  11   6.802   4.558   7.169
   87    HG3  ARG  11          1HG       ARG  11   7.502   6.080   6.618
   88    HD2  ARG  11          2HD       ARG  11   8.638   6.372   8.700
   89    HD3  ARG  11          1HD       ARG  11   7.781   4.994   9.391
   90    HE   ARG  11           HE       ARG  11   9.441   4.487   7.056
   91   HH11  ARG  11          1HH1      ARG  11   9.126   4.255  10.587
   92   HH12  ARG  11          2HH1      ARG  11  10.346   3.092  10.765
   93   HH21  ARG  11          1HH2      ARG  11  11.066   2.871   7.292
   94   HH22  ARG  11          2HH2      ARG  11  11.486   2.247   8.815
   95    H    GLY  12           HN       GLY  12   3.127   8.156   6.373
   96    HA2  GLY  12          2HA       GLY  12   3.775  10.180   5.270
   97    HA3  GLY  12          1HA       GLY  12   5.078   9.286   4.500
   98    HA   PRO  13           HA       PRO  13   1.718   9.284   1.433
   99    HB2  PRO  13          2HB       PRO  13   3.084  10.393  -0.595
  100    HB3  PRO  13          1HB       PRO  13   2.360  11.362   0.693
  101    HG2  PRO  13          2HG       PRO  13   5.200  10.740   0.174
  102    HG3  PRO  13          1HG       PRO  13   4.492  12.093   1.066
  103    HD2  PRO  13          2HD       PRO  13   5.624   9.673   2.138
  104    HD3  PRO  13          1HD       PRO  13   4.888  11.021   3.023
  105    H    CYS  14           HN       CYS  14   1.293   7.709  -0.030
  106    HA   CYS  14           HA       CYS  14   3.022   5.500  -0.434
  107    HB2  CYS  14          2HB       CYS  14   1.253   4.726  -1.966
  108    HB3  CYS  14          1HB       CYS  14   0.613   5.282  -0.418
  109    H    LEU  15           HN       LEU  15   3.099   8.474  -1.866
  110    HA   LEU  15           HA       LEU  15   3.465   7.954  -4.588
  111    HB2  LEU  15          2HB       LEU  15   4.330  10.249  -2.849
  112    HB3  LEU  15          1HB       LEU  15   4.781  10.188  -4.535
  113    HG   LEU  15           HG       LEU  15   2.360  10.165  -5.144
  114   HD11  LEU  15          1HD1      LEU  15   1.867  10.713  -2.229
  115   HD12  LEU  15          2HD1      LEU  15   1.444   9.235  -3.089
  116   HD13  LEU  15          3HD1      LEU  15   0.674  10.761  -3.529
  117   HD21  LEU  15          1HD2      LEU  15   1.935  12.522  -4.605
  118   HD22  LEU  15          2HD2      LEU  15   3.567  12.238  -5.198
  119   HD23  LEU  15          3HD2      LEU  15   3.288  12.489  -3.473
  120    H    ARG  16           HN       ARG  16   5.571   7.542  -1.914
  121    HA   ARG  16           HA       ARG  16   7.828   7.077  -3.649
  122    HB2  ARG  16          2HB       ARG  16   7.549   6.468  -0.690
  123    HB3  ARG  16          1HB       ARG  16   9.039   6.388  -1.612
  124    HG2  ARG  16          2HG       ARG  16   7.453   8.841  -0.894
  125    HG3  ARG  16          1HG       ARG  16   9.056   8.377  -0.327
  126    HD2  ARG  16          2HD       ARG  16   8.325   9.109  -3.161
  127    HD3  ARG  16          1HD       ARG  16   9.158  10.147  -2.012
  128    HE   ARG  16           HE       ARG  16  10.619   7.778  -2.299
  129   HH11  ARG  16          1HH1      ARG  16   9.736  10.602  -4.233
  130   HH12  ARG  16          2HH1      ARG  16  11.159  10.591  -5.163
  131   HH21  ARG  16          1HH2      ARG  16  12.535   7.748  -3.559
  132   HH22  ARG  16          2HH2      ARG  16  12.809   8.907  -4.777
  133    H    ARG  17           HN       ARG  17   7.090   5.587  -4.945
  134    HA   ARG  17           HA       ARG  17   5.471   3.381  -4.485
  135    HB2  ARG  17          2HB       ARG  17   7.635   3.632  -6.558
  136    HB3  ARG  17          1HB       ARG  17   6.250   2.555  -6.619
  137    HG2  ARG  17          2HG       ARG  17   4.749   4.430  -6.792
  138    HG3  ARG  17          1HG       ARG  17   6.094   5.561  -6.620
  139    HD2  ARG  17          2HD       ARG  17   7.098   4.600  -8.662
  140    HD3  ARG  17          1HD       ARG  17   5.673   3.579  -8.840
  141    HE   ARG  17           HE       ARG  17   4.732   6.129  -8.648
  142   HH11  ARG  17          1HH1      ARG  17   7.017   4.492 -10.794
  143   HH12  ARG  17          2HH1      ARG  17   6.584   5.398 -12.168
  144   HH21  ARG  17          1HH2      ARG  17   4.149   7.382 -10.559
  145   HH22  ARG  17          2HH2      ARG  17   4.948   7.050 -12.034
  146    H    SER  18           HN       SER  18   8.993   3.608  -4.474
  147    HA   SER  18           HA       SER  18   9.519   0.879  -4.208
  148    HB2  SER  18          2HB       SER  18  11.241   3.185  -3.285
  149    HB3  SER  18          1HB       SER  18  11.765   1.591  -3.832
  150    HG   SER  18           HG       SER  18  11.715   3.581  -5.333
  151    H    ASN  19           HN       ASN  19   9.175   3.504  -1.835
  152    HA   ASN  19           HA       ASN  19   9.751   1.836   0.408
  153    HB2  ASN  19          2HB       ASN  19   8.420   4.554   0.306
  154    HB3  ASN  19          1HB       ASN  19   8.753   3.695   1.802
  155   HD21  ASN  19          1HD2      ASN  19  10.923   3.411   2.434
  156   HD22  ASN  19          2HD2      ASN  19  12.176   4.430   1.834
  157    H    CYS  20           HN       CYS  20   6.780   2.938  -1.116
  158    HA   CYS  20           HA       CYS  20   4.922   1.902   0.705
  159    HB2  CYS  20          2HB       CYS  20   4.451   3.487  -1.190
  160    HB3  CYS  20          1HB       CYS  20   4.677   2.165  -2.313
  161    H    ALA  21           HN       ALA  21   6.433   0.409  -2.157
  162    HA   ALA  21           HA       ALA  21   5.156  -2.085  -1.880
  163    HB1  ALA  21          1HB       ALA  21   6.197  -1.333  -3.968
  164    HB2  ALA  21          2HB       ALA  21   6.814  -2.904  -3.453
  165    HB3  ALA  21          3HB       ALA  21   7.785  -1.451  -3.209
  166    H    ASN  22           HN       ASN  22   8.244  -0.849  -0.667
  167    HA   ASN  22           HA       ASN  22   9.234  -3.247   0.426
  168    HB2  ASN  22          2HB       ASN  22  10.739  -1.380   0.192
  169    HB3  ASN  22          1HB       ASN  22   9.729  -0.371   1.216
  170   HD21  ASN  22          1HD2      ASN  22  12.039  -2.977   1.164
  171   HD22  ASN  22          2HD2      ASN  22  12.404  -2.961   2.847
  172    H    VAL  23           HN       VAL  23   7.285  -0.689   1.913
  173    HA   VAL  23           HA       VAL  23   7.200  -1.905   4.434
  174    HB   VAL  23           HB       VAL  23   5.264   0.099   3.214
  175   HG11  VAL  23          1HG1      VAL  23   4.231  -1.130   5.104
  176   HG12  VAL  23          2HG1      VAL  23   4.562   0.538   5.543
  177   HG13  VAL  23          3HG1      VAL  23   5.642  -0.746   6.079
  178   HG21  VAL  23          1HG2      VAL  23   6.507   1.724   4.599
  179   HG22  VAL  23          2HG2      VAL  23   7.541   0.942   3.404
  180   HG23  VAL  23          3HG2      VAL  23   7.604   0.435   5.091
  181    H    CYS  24           HN       CYS  24   4.988  -2.063   1.669
  182    HA   CYS  24           HA       CYS  24   3.214  -3.801   2.927
  183    HB2  CYS  24          2HB       CYS  24   3.777  -3.247   0.043
  184    HB3  CYS  24          1HB       CYS  24   2.533  -4.389   0.546
  185    H    ARG  25           HN       ARG  25   6.210  -4.418   1.267
  186    HA   ARG  25           HA       ARG  25   5.974  -7.202   1.043
  187    HB2  ARG  25          2HB       ARG  25   7.688  -5.923  -0.150
  188    HB3  ARG  25          1HB       ARG  25   8.430  -5.465   1.365
  189    HG2  ARG  25          2HG       ARG  25   9.717  -7.180   0.179
  190    HG3  ARG  25          1HG       ARG  25   9.152  -7.759   1.742
  191    HD2  ARG  25          2HD       ARG  25   7.639  -8.316  -0.789
  192    HD3  ARG  25          1HD       ARG  25   9.003  -9.325  -0.303
  193    HE   ARG  25           HE       ARG  25   7.475  -9.253   1.895
  194   HH11  ARG  25          1HH1      ARG  25   6.668 -10.027  -1.460
  195   HH12  ARG  25          2HH1      ARG  25   5.485 -11.180  -1.059
  196   HH21  ARG  25          1HH2      ARG  25   5.881 -10.808   2.456
  197   HH22  ARG  25          2HH2      ARG  25   5.014 -11.643   1.247
  198    H    THR  26           HN       THR  26   7.395  -5.197   3.632
  199    HA   THR  26           HA       THR  26   7.878  -7.476   5.247
  200    HB   THR  26           HB       THR  26   9.259  -5.513   5.632
  201    HG1  THR  26          1HG       THR  26   9.155  -6.598   7.464
  202   HG21  THR  26          1HG2      THR  26   8.402  -3.442   6.625
  203   HG22  THR  26          2HG2      THR  26   6.760  -4.090   6.525
  204   HG23  THR  26          3HG2      THR  26   7.676  -3.775   5.052
  205    H    GLU  27           HN       GLU  27   5.084  -5.509   4.756
  206    HA   GLU  27           HA       GLU  27   3.541  -6.372   6.978
  207    HB2  GLU  27          2HB       GLU  27   2.808  -5.331   4.260
  208    HB3  GLU  27          1HB       GLU  27   1.584  -5.775   5.440
  209    HG2  GLU  27          2HG       GLU  27   3.736  -3.767   5.990
  210    HG3  GLU  27          1HG       GLU  27   2.199  -3.340   5.248
  211    H    GLY  28           HN       GLY  28   4.615  -8.042   4.216
  212    HA2  GLY  28          2HA       GLY  28   4.380 -10.404   4.034
  213    HA3  GLY  28          1HA       GLY  28   2.842 -10.287   4.880
  214    H    PHE  29           HN       PHE  29   3.477  -7.996   2.384
  215    HA   PHE  29           HA       PHE  29   1.669  -9.462   0.630
  216    HB2  PHE  29          2HB       PHE  29   1.821  -6.501   1.191
  217    HB3  PHE  29          1HB       PHE  29   0.822  -7.214  -0.071
  218    HD1  PHE  29          1HD       PHE  29   0.853  -6.099   3.257
  219    HD2  PHE  29          2HD       PHE  29  -0.741  -9.125   0.755
  220    HE1  PHE  29          1HE       PHE  29  -0.964  -6.466   4.878
  221    HE2  PHE  29          2HE       PHE  29  -2.567  -9.497   2.331
  222    HZ   PHE  29           HZ       PHE  29  -2.688  -8.167   4.419
  223    HA   PRO  30           HA       PRO  30   4.746  -9.283  -2.460
  224    HB2  PRO  30          2HB       PRO  30   3.279  -9.003  -4.739
  225    HB3  PRO  30          1HB       PRO  30   3.372 -10.509  -3.820
  226    HG2  PRO  30          2HG       PRO  30   1.256  -8.394  -3.776
  227    HG3  PRO  30          1HG       PRO  30   1.070 -10.155  -3.820
  228    HD2  PRO  30          2HD       PRO  30   0.792  -8.766  -1.544
  229    HD3  PRO  30          1HD       PRO  30   1.516 -10.383  -1.560
  230    H    GLY  31           HN       GLY  31   2.572  -6.555  -2.253
  231    HA2  GLY  31          2HA       GLY  31   4.593  -4.694  -2.684
  232    HA3  GLY  31          1HA       GLY  31   3.746  -4.929  -4.209
  233    H    GLY  32           HN       GLY  32   3.682  -2.467  -3.080
  234    HA2  GLY  32          2HA       GLY  32   0.884  -2.246  -2.408
  235    HA3  GLY  32          1HA       GLY  32   2.058  -1.565  -1.278
  236    H    ARG  33           HN       ARG  33   0.031  -0.337  -3.040
  237    HA   ARG  33           HA       ARG  33   1.759   1.682  -4.238
  238    HB2  ARG  33          2HB       ARG  33  -0.438   0.276  -5.790
  239    HB3  ARG  33          1HB       ARG  33   0.400   1.715  -6.323
  240    HG2  ARG  33          2HG       ARG  33   1.677  -0.982  -5.888
  241    HG3  ARG  33          1HG       ARG  33   1.172  -0.332  -7.446
  242    HD2  ARG  33          2HD       ARG  33   3.294   0.794  -5.613
  243    HD3  ARG  33          1HD       ARG  33   3.558  -0.027  -7.150
  244    HE   ARG  33           HE       ARG  33   2.430   2.630  -6.738
  245   HH11  ARG  33          1HH1      ARG  33   3.763   0.208  -8.959
  246   HH12  ARG  33          2HH1      ARG  33   3.858   1.249 -10.284
  247   HH21  ARG  33          1HH2      ARG  33   2.529   4.076  -8.609
  248   HH22  ARG  33          2HH2      ARG  33   3.117   3.469 -10.094
  249    H    CYS  34           HN       CYS  34   0.387   3.573  -4.924
  250    HA   CYS  34           HA       CYS  34  -1.380   4.459  -2.950
  251    HB2  CYS  34          2HB       CYS  34  -0.986   5.401  -5.792
  252    HB3  CYS  34          1HB       CYS  34  -1.947   6.258  -4.591
  253    H    ARG  35           HN       ARG  35  -3.552   4.506  -2.795
  254    HA   ARG  35           HA       ARG  35  -4.997   2.933  -4.828
  255    HB2  ARG  35          2HB       ARG  35  -5.025   1.911  -2.593
  256    HB3  ARG  35          1HB       ARG  35  -5.733   3.371  -1.930
  257    HG2  ARG  35          2HG       ARG  35  -7.399   1.611  -2.219
  258    HG3  ARG  35          1HG       ARG  35  -7.756   3.003  -3.241
  259    HD2  ARG  35          2HD       ARG  35  -6.873   1.873  -5.175
  260    HD3  ARG  35          1HD       ARG  35  -6.314   0.533  -4.169
  261    HE   ARG  35           HE       ARG  35  -8.931   0.554  -3.669
  262   HH11  ARG  35          1HH1      ARG  35  -7.256   0.667  -6.795
  263   HH12  ARG  35          2HH1      ARG  35  -8.391  -0.319  -7.581
  264   HH21  ARG  35          1HH2      ARG  35 -10.478  -0.753  -4.749
  265   HH22  ARG  35          2HH2      ARG  35 -10.306  -1.123  -6.405
  266    H    GLY  36           HN       GLY  36  -5.650   5.488  -2.445
  267    HA2  GLY  36          2HA       GLY  36  -7.379   6.708  -4.448
  268    HA3  GLY  36          1HA       GLY  36  -7.578   6.868  -2.706
  269    H    PHE  37           HN       PHE  37  -7.588   9.141  -3.744
  270    HA   PHE  37           HA       PHE  37  -5.086  10.293  -4.442
  271    HB2  PHE  37          2HB       PHE  37  -7.165  11.168  -5.345
  272    HB3  PHE  37          1HB       PHE  37  -7.750  11.538  -3.734
  273    HD1  PHE  37          1HD       PHE  37  -5.310  12.487  -6.331
  274    HD2  PHE  37          2HD       PHE  37  -7.157  13.538  -2.661
  275    HE1  PHE  37          1HE       PHE  37  -4.380  14.757  -6.518
  276    HE2  PHE  37          2HE       PHE  37  -6.252  15.783  -2.816
  277    HZ   PHE  37           HZ       PHE  37  -4.846  16.424  -4.761
  278    H    ARG  38           HN       ARG  38  -6.486   9.530  -1.431
  279    HA   ARG  38           HA       ARG  38  -5.212  11.661   0.017
  280    HB2  ARG  38          2HB       ARG  38  -6.735   9.253   0.989
  281    HB3  ARG  38          1HB       ARG  38  -5.955  10.385   2.080
  282    HG2  ARG  38          2HG       ARG  38  -8.041  11.156   0.048
  283    HG3  ARG  38          1HG       ARG  38  -8.372  10.859   1.765
  284    HD2  ARG  38          2HD       ARG  38  -6.623  13.015   0.554
  285    HD3  ARG  38          1HD       ARG  38  -8.178  13.231   1.340
  286    HE   ARG  38           HE       ARG  38  -6.890  12.178   3.339
  287   HH11  ARG  38          1HH1      ARG  38  -5.708  14.660   1.084
  288   HH12  ARG  38          2HH1      ARG  38  -4.551  15.271   2.189
  289   HH21  ARG  38          1HH2      ARG  38  -5.339  13.076   4.809
  290   HH22  ARG  38          2HH2      ARG  38  -4.353  14.385   4.343
  291    H    ARG  39           HN       ARG  39  -3.790   9.363  -1.487
  292    HA   ARG  39           HA       ARG  39  -1.603   8.767  -1.579
  293    HB2  ARG  39          2HB       ARG  39  -1.251  10.654   0.757
  294    HB3  ARG  39          1HB       ARG  39   0.017  10.077  -0.314
  295    HG2  ARG  39          2HG       ARG  39  -0.958  11.260  -2.179
  296    HG3  ARG  39          1HG       ARG  39  -2.336  11.737  -1.192
  297    HD2  ARG  39          2HD       ARG  39  -0.773  12.990   0.282
  298    HD3  ARG  39          1HD       ARG  39   0.534  12.584  -0.829
  299    HE   ARG  39           HE       ARG  39  -1.200  13.694  -2.481
  300   HH11  ARG  39          1HH1      ARG  39  -0.074  14.825   0.691
  301   HH12  ARG  39          2HH1      ARG  39  -0.263  16.470   0.332
  302   HH21  ARG  39          1HH2      ARG  39  -1.477  16.019  -2.961
  303   HH22  ARG  39          2HH2      ARG  39  -1.090  17.158  -1.759
  304    H    ARG  40           HN       ARG  40  -3.410   7.206   0.143
  305    HA   ARG  40           HA       ARG  40  -1.593   6.318   2.231
  306    HB2  ARG  40          2HB       ARG  40  -4.418   5.422   1.617
  307    HB3  ARG  40          1HB       ARG  40  -3.461   4.857   2.983
  308    HG2  ARG  40          2HG       ARG  40  -3.372   7.191   3.821
  309    HG3  ARG  40          1HG       ARG  40  -4.425   7.674   2.493
  310    HD2  ARG  40          2HD       ARG  40  -5.773   7.383   4.458
  311    HD3  ARG  40          1HD       ARG  40  -6.125   6.063   3.346
  312    HE   ARG  40           HE       ARG  40  -4.111   5.245   5.094
  313   HH11  ARG  40          1HH1      ARG  40  -7.587   6.013   5.226
  314   HH12  ARG  40          2HH1      ARG  40  -7.886   5.021   6.577
  315   HH21  ARG  40          1HH2      ARG  40  -4.560   3.871   6.961
  316   HH22  ARG  40          2HH2      ARG  40  -6.126   3.773   7.575
  317    H    CYS  41           HN       CYS  41  -0.699   4.311   2.323
  318    HA   CYS  41           HA       CYS  41  -0.185   3.129  -0.274
  319    HB2  CYS  41          2HB       CYS  41   1.679   3.713   1.246
  320    HB3  CYS  41          1HB       CYS  41   1.045   2.597   2.441
  321    H    PHE  42           HN       PHE  42  -1.421   1.537  -0.951
  322    HA   PHE  42           HA       PHE  42  -2.575  -0.250   1.037
  323    HB2  PHE  42          2HB       PHE  42  -3.564   0.699  -1.600
  324    HB3  PHE  42          1HB       PHE  42  -4.084  -0.858  -0.987
  325    HD1  PHE  42          1HD       PHE  42  -5.906  -0.997   0.427
  326    HD2  PHE  42          2HD       PHE  42  -3.913   2.740  -0.013
  327    HE1  PHE  42          1HE       PHE  42  -7.664   0.088   1.732
  328    HE2  PHE  42          2HE       PHE  42  -5.686   3.829   1.304
  329    HZ   PHE  42           HZ       PHE  42  -7.557   2.501   2.181
  330    H    CYS  43           HN       CYS  43  -1.865  -2.107   1.151
  331    HA   CYS  43           HA       CYS  43   0.076  -3.175  -0.654
  332    HB2  CYS  43          2HB       CYS  43  -1.269  -4.381   1.755
  333    HB3  CYS  43          1HB       CYS  43   0.231  -4.918   1.002
  334    H    THR  44           HN       THR  44  -0.446  -4.407  -2.324
  335    HA   THR  44           HA       THR  44  -3.212  -5.207  -2.663
  336    HB   THR  44           HB       THR  44  -0.893  -5.456  -4.595
  337    HG1  THR  44          1HG       THR  44  -1.961  -3.300  -3.574
  338   HG21  THR  44          1HG2      THR  44  -2.904  -6.778  -5.167
  339   HG22  THR  44          2HG2      THR  44  -2.685  -5.431  -6.288
  340   HG23  THR  44          3HG2      THR  44  -3.895  -5.327  -5.011
  341    H    THR  45           HN       THR  45  -3.892  -7.306  -2.656
  342    HA   THR  45           HA       THR  45  -1.948  -9.437  -2.537
  343    HB   THR  45           HB       THR  45  -2.343  -8.738  -0.199
  344    HG1  THR  45          1HG       THR  45  -3.667 -11.017   0.127
  345   HG21  THR  45          1HG2      THR  45  -4.608  -7.840  -0.403
  346   HG22  THR  45          2HG2      THR  45  -4.527  -9.059   0.868
  347   HG23  THR  45          3HG2      THR  45  -5.232  -9.465  -0.695
  348    H    HIS  46           HN       HIS  46  -3.207 -11.537  -2.592
  349    HA   HIS  46           HA       HIS  46  -5.601 -11.221  -4.253
  350    HB2  HIS  46          2HB       HIS  46  -3.507 -13.405  -4.266
  351    HB3  HIS  46          1HB       HIS  46  -5.047 -13.538  -5.107
  352    HD1  HIS  46          1HD       HIS  46  -1.687 -11.906  -5.357
  353    HD2  HIS  46          2HD       HIS  46  -5.327 -11.915  -7.341
  354    HE1  HIS  46          1HE       HIS  46  -1.273 -10.748  -7.547
  355    H    CYS  47           HN       CYS  47  -7.417 -12.205  -3.618
  356    HA   CYS  47           HA       CYS  47  -7.319 -13.519  -1.049
  357    HB2  CYS  47          2HB       CYS  47  -9.641 -12.532  -2.717
  358    HB3  CYS  47          1HB       CYS  47  -9.808 -13.314  -1.149
  Start of MODEL   20
    1    H1   ARG   1          1HT       ARG   1 -11.136 -10.402  -7.945
    2    H2   ARG   1          2HT       ARG   1 -10.459  -8.996  -7.273
    3    H3   ARG   1          3HT       ARG   1 -10.803 -10.295  -6.303
    4    HA   ARG   1           HA       ARG   1  -9.177 -11.644  -7.251
    5    HB2  ARG   1          2HB       ARG   1  -8.603  -9.248  -9.010
    6    HB3  ARG   1          1HB       ARG   1  -7.502 -10.604  -8.828
    7    HG2  ARG   1          2HG       ARG   1  -9.207 -12.105  -9.754
    8    HG3  ARG   1          1HG       ARG   1 -10.300 -10.734  -9.935
    9    HD2  ARG   1          2HD       ARG   1  -9.182 -11.294 -12.056
   10    HD3  ARG   1          1HD       ARG   1  -8.765  -9.677 -11.501
   11    HE   ARG   1           HE       ARG   1  -6.874 -11.605 -10.613
   12   HH11  ARG   1          1HH1      ARG   1  -7.794  -9.800 -13.520
   13   HH12  ARG   1          2HH1      ARG   1  -6.232  -9.790 -14.185
   14   HH21  ARG   1          1HH2      ARG   1  -4.706 -11.581 -11.530
   15   HH22  ARG   1          2HH2      ARG   1  -4.434 -10.805 -13.019
   16    H    THR   2           HN       THR   2  -8.196  -8.180  -7.184
   17    HA   THR   2           HA       THR   2  -6.373  -8.845  -5.059
   18    HB   THR   2           HB       THR   2  -5.536  -6.502  -5.654
   19    HG1  THR   2          1HG       THR   2  -6.139  -5.936  -7.829
   20   HG21  THR   2          1HG2      THR   2  -4.288  -7.357  -7.602
   21   HG22  THR   2          2HG2      THR   2  -5.422  -8.701  -7.736
   22   HG23  THR   2          3HG2      THR   2  -4.373  -8.571  -6.326
   23    H    CYS   3           HN       CYS   3  -6.531  -8.027  -3.117
   24    HA   CYS   3           HA       CYS   3  -8.663  -6.148  -2.483
   25    HB2  CYS   3          2HB       CYS   3  -7.435  -8.412  -0.865
   26    HB3  CYS   3          1HB       CYS   3  -8.600  -7.247  -0.208
   27    H    GLN   4           HN       GLN   4  -8.038  -4.437  -1.190
   28    HA   GLN   4           HA       GLN   4  -5.131  -4.052  -0.996
   29    HB2  GLN   4          2HB       GLN   4  -7.326  -2.028  -1.364
   30    HB3  GLN   4          1HB       GLN   4  -5.621  -1.666  -1.226
   31    HG2  GLN   4          2HG       GLN   4  -6.863  -3.295  -3.420
   32    HG3  GLN   4          1HG       GLN   4  -6.468  -1.590  -3.548
   33   HE21  GLN   4          1HE2      GLN   4  -5.542  -3.700  -5.150
   34   HE22  GLN   4          2HE2      GLN   4  -3.819  -3.741  -5.011
   35    H    SER   5           HN       SER   5  -4.373  -3.775   0.979
   36    HA   SER   5           HA       SER   5  -6.231  -3.017   3.120
   37    HB2  SER   5          2HB       SER   5  -5.378  -5.307   3.373
   38    HB3  SER   5          1HB       SER   5  -3.724  -4.718   3.249
   39    HG   SER   5           HG       SER   5  -3.789  -3.992   5.194
   40    H    GLN   6           HN       GLN   6  -5.866  -1.023   3.854
   41    HA   GLN   6           HA       GLN   6  -3.708   0.565   3.065
   42    HB2  GLN   6          2HB       GLN   6  -4.488   2.159   4.858
   43    HB3  GLN   6          1HB       GLN   6  -5.722   1.669   3.711
   44    HG2  GLN   6          2HG       GLN   6  -6.574   0.051   5.359
   45    HG3  GLN   6          1HG       GLN   6  -5.357   0.614   6.501
   46   HE21  GLN   6          1HE2      GLN   6  -8.281   0.643   6.650
   47   HE22  GLN   6          2HE2      GLN   6  -8.708   2.282   6.932
   48    H    SER   7           HN       SER   7  -1.714   0.698   3.670
   49    HA   SER   7           HA       SER   7  -0.571  -1.084   5.478
   50    HB2  SER   7          2HB       SER   7   0.668   1.395   4.341
   51    HB3  SER   7          1HB       SER   7   1.430  -0.168   4.670
   52    HG   SER   7           HG       SER   7   0.847  -0.768   2.713
   53    H    HIS   8           HN       HIS   8  -0.645  -0.889   7.636
   54    HA   HIS   8           HA       HIS   8  -1.267   1.590   8.948
   55    HB2  HIS   8          2HB       HIS   8  -2.200  -0.549   9.732
   56    HB3  HIS   8          1HB       HIS   8  -0.576  -1.120  10.086
   57    HD1  HIS   8          1HD       HIS   8   0.351  -0.567  12.387
   58    HD2  HIS   8          2HD       HIS   8  -3.086   1.570  11.449
   59    HE1  HIS   8          1HE       HIS   8  -0.312   0.640  14.488
   60    H    ARG   9           HN       ARG   9   1.546  -0.523   8.767
   61    HA   ARG   9           HA       ARG   9   3.033   1.366  10.375
   62    HB2  ARG   9          2HB       ARG   9   4.996  -0.211  10.012
   63    HB3  ARG   9          1HB       ARG   9   3.644  -0.789  10.966
   64    HG2  ARG   9          2HG       ARG   9   2.884  -2.161   9.181
   65    HG3  ARG   9          1HG       ARG   9   4.038  -1.434   8.057
   66    HD2  ARG   9          2HD       ARG   9   4.673  -3.688   8.961
   67    HD3  ARG   9          1HD       ARG   9   5.875  -2.413   9.167
   68    HE   ARG   9           HE       ARG   9   4.562  -2.309  11.497
   69   HH11  ARG   9          1HH1      ARG   9   5.759  -5.192   9.801
   70   HH12  ARG   9          2HH1      ARG   9   6.325  -5.938  11.216
   71   HH21  ARG   9          1HH2      ARG   9   5.309  -3.397  13.446
   72   HH22  ARG   9          2HH2      ARG   9   6.030  -4.931  13.305
   73    H    PHE  10           HN       PHE  10   2.089   1.844   7.551
   74    HA   PHE  10           HA       PHE  10   4.611   2.569   6.317
   75    HB2  PHE  10          2HB       PHE  10   2.773   1.706   4.890
   76    HB3  PHE  10          1HB       PHE  10   1.760   3.055   5.398
   77    HD1  PHE  10          1HD       PHE  10   4.923   2.226   3.651
   78    HD2  PHE  10          2HD       PHE  10   1.834   5.083   4.247
   79    HE1  PHE  10          1HE       PHE  10   5.807   3.563   1.820
   80    HE2  PHE  10          2HE       PHE  10   2.712   6.426   2.408
   81    HZ   PHE  10           HZ       PHE  10   4.707   5.678   1.184
   82    H    ARG  11           HN       ARG  11   4.827   4.891   5.622
   83    HA   ARG  11           HA       ARG  11   3.565   6.728   7.454
   84    HB2  ARG  11          2HB       ARG  11   5.642   7.652   8.271
   85    HB3  ARG  11          1HB       ARG  11   5.636   5.934   8.594
   86    HG2  ARG  11          2HG       ARG  11   7.096   7.254   6.323
   87    HG3  ARG  11          1HG       ARG  11   7.855   6.813   7.861
   88    HD2  ARG  11          2HD       ARG  11   6.708   5.025   5.711
   89    HD3  ARG  11          1HD       ARG  11   8.398   5.195   6.154
   90    HE   ARG  11           HE       ARG  11   6.389   4.035   7.973
   91   HH11  ARG  11          1HH1      ARG  11   9.641   3.988   6.607
   92   HH12  ARG  11          2HH1      ARG  11  10.024   2.425   7.137
   93   HH21  ARG  11          1HH2      ARG  11   6.876   1.838   8.692
   94   HH22  ARG  11          2HH2      ARG  11   8.411   1.172   8.364
   95    H    GLY  12           HN       GLY  12   3.150   8.621   6.491
   96    HA2  GLY  12          2HA       GLY  12   3.436  10.421   5.090
   97    HA3  GLY  12          1HA       GLY  12   4.794   9.592   4.339
   98    HA   PRO  13           HA       PRO  13   1.416   9.038   1.364
   99    HB2  PRO  13          2HB       PRO  13   2.502  10.316  -0.713
  100    HB3  PRO  13          1HB       PRO  13   1.724  11.199   0.602
  101    HG2  PRO  13          2HG       PRO  13   4.597  10.922  -0.036
  102    HG3  PRO  13          1HG       PRO  13   3.759  12.219   0.828
  103    HD2  PRO  13          2HD       PRO  13   5.214  10.004   1.967
  104    HD3  PRO  13          1HD       PRO  13   4.328  11.280   2.818
  105    H    CYS  14           HN       CYS  14   1.303   7.675  -0.414
  106    HA   CYS  14           HA       CYS  14   3.245   5.591  -0.603
  107    HB2  CYS  14          2HB       CYS  14   1.739   4.684  -2.332
  108    HB3  CYS  14          1HB       CYS  14   0.881   5.145  -0.862
  109    H    LEU  15           HN       LEU  15   3.342   8.580  -1.839
  110    HA   LEU  15           HA       LEU  15   4.174   8.298  -4.509
  111    HB2  LEU  15          2HB       LEU  15   4.905  10.373  -2.451
  112    HB3  LEU  15          1HB       LEU  15   5.204  10.518  -4.173
  113    HG   LEU  15           HG       LEU  15   2.461  10.270  -2.948
  114   HD11  LEU  15          1HD1      LEU  15   3.528  12.361  -2.293
  115   HD12  LEU  15          2HD1      LEU  15   2.219  12.638  -3.440
  116   HD13  LEU  15          3HD1      LEU  15   3.893  12.706  -3.983
  117   HD21  LEU  15          1HD2      LEU  15   2.580   9.454  -5.238
  118   HD22  LEU  15          2HD2      LEU  15   3.366  10.948  -5.742
  119   HD23  LEU  15          3HD2      LEU  15   1.702  10.980  -5.168
  120    H    ARG  16           HN       ARG  16   5.722   7.826  -1.475
  121    HA   ARG  16           HA       ARG  16   8.287   7.293  -2.709
  122    HB2  ARG  16          2HB       ARG  16   8.046   8.338  -0.391
  123    HB3  ARG  16          1HB       ARG  16   7.368   6.812   0.151
  124    HG2  ARG  16          2HG       ARG  16   9.677   6.949   0.799
  125    HG3  ARG  16          1HG       ARG  16   9.479   5.700  -0.427
  126    HD2  ARG  16          2HD       ARG  16  11.479   7.063  -0.843
  127    HD3  ARG  16          1HD       ARG  16  10.305   7.224  -2.148
  128    HE   ARG  16           HE       ARG  16   9.933   9.234  -0.228
  129   HH11  ARG  16          1HH1      ARG  16  12.154   8.357  -2.856
  130   HH12  ARG  16          2HH1      ARG  16  12.682   9.946  -3.124
  131   HH21  ARG  16          1HH2      ARG  16  10.617  11.389  -0.619
  132   HH22  ARG  16          2HH2      ARG  16  11.780  11.755  -1.806
  133    H    ARG  17           HN       ARG  17   7.140   5.841  -4.107
  134    HA   ARG  17           HA       ARG  17   5.556   3.706  -3.309
  135    HB2  ARG  17          2HB       ARG  17   5.799   2.847  -5.612
  136    HB3  ARG  17          1HB       ARG  17   5.356   4.542  -5.529
  137    HG2  ARG  17          2HG       ARG  17   7.650   5.180  -6.040
  138    HG3  ARG  17          1HG       ARG  17   8.121   3.480  -6.082
  139    HD2  ARG  17          2HD       ARG  17   6.535   3.112  -7.925
  140    HD3  ARG  17          1HD       ARG  17   6.123   4.823  -7.900
  141    HE   ARG  17           HE       ARG  17   8.577   5.162  -8.349
  142   HH11  ARG  17          1HH1      ARG  17   6.794   2.341  -9.555
  143   HH12  ARG  17          2HH1      ARG  17   7.766   2.127 -10.934
  144   HH21  ARG  17          1HH2      ARG  17   9.959   4.828 -10.266
  145   HH22  ARG  17          2HH2      ARG  17   9.588   3.524 -11.314
  146    H    SER  18           HN       SER  18   9.017   3.852  -3.607
  147    HA   SER  18           HA       SER  18   9.430   1.067  -3.713
  148    HB2  SER  18          2HB       SER  18  11.162   2.757  -4.341
  149    HB3  SER  18          1HB       SER  18  11.294   3.222  -2.650
  150    HG   SER  18           HG       SER  18  12.777   1.759  -2.648
  151    H    ASN  19           HN       ASN  19   9.292   3.413  -1.060
  152    HA   ASN  19           HA       ASN  19   9.718   1.527   1.005
  153    HB2  ASN  19          2HB       ASN  19  10.041   3.971   1.346
  154    HB3  ASN  19          1HB       ASN  19   8.314   4.211   1.151
  155   HD21  ASN  19          1HD2      ASN  19  10.788   2.878   3.220
  156   HD22  ASN  19          2HD2      ASN  19   9.822   2.790   4.646
  157    H    CYS  20           HN       CYS  20   6.838   2.837  -0.503
  158    HA   CYS  20           HA       CYS  20   4.838   1.652   1.042
  159    HB2  CYS  20          2HB       CYS  20   4.362   3.320  -0.693
  160    HB3  CYS  20          1HB       CYS  20   4.912   2.214  -1.937
  161    H    ALA  21           HN       ALA  21   6.385   0.360  -1.894
  162    HA   ALA  21           HA       ALA  21   5.072  -2.122  -1.829
  163    HB1  ALA  21          1HB       ALA  21   6.085  -1.176  -3.855
  164    HB2  ALA  21          2HB       ALA  21   6.688  -2.797  -3.515
  165    HB3  ALA  21          3HB       ALA  21   7.685  -1.391  -3.147
  166    H    ASN  22           HN       ASN  22   8.170  -1.046  -0.484
  167    HA   ASN  22           HA       ASN  22   8.948  -3.682   0.252
  168    HB2  ASN  22          2HB       ASN  22  10.029  -1.011   1.148
  169    HB3  ASN  22          1HB       ASN  22  10.699  -2.547   1.681
  170   HD21  ASN  22          1HD2      ASN  22  10.325  -3.857  -0.929
  171   HD22  ASN  22          2HD2      ASN  22  11.500  -3.179  -1.980
  172    H    VAL  23           HN       VAL  23   7.259  -1.136   2.025
  173    HA   VAL  23           HA       VAL  23   7.245  -2.495   4.501
  174    HB   VAL  23           HB       VAL  23   5.230  -0.483   3.383
  175   HG11  VAL  23          1HG1      VAL  23   4.157  -1.851   5.121
  176   HG12  VAL  23          2HG1      VAL  23   4.423  -0.206   5.695
  177   HG13  VAL  23          3HG1      VAL  23   5.491  -1.506   6.220
  178   HG21  VAL  23          1HG2      VAL  23   7.463  -0.151   5.391
  179   HG22  VAL  23          2HG2      VAL  23   6.328   1.102   4.903
  180   HG23  VAL  23          3HG2      VAL  23   7.464   0.436   3.728
  181    H    CYS  24           HN       CYS  24   4.935  -2.397   1.836
  182    HA   CYS  24           HA       CYS  24   3.206  -4.291   2.917
  183    HB2  CYS  24          2HB       CYS  24   3.704  -3.400   0.094
  184    HB3  CYS  24          1HB       CYS  24   2.402  -4.507   0.504
  185    H    ARG  25           HN       ARG  25   6.052  -4.701   0.874
  186    HA   ARG  25           HA       ARG  25   5.843  -7.423   0.339
  187    HB2  ARG  25          2HB       ARG  25   7.519  -5.898  -0.685
  188    HB3  ARG  25          1HB       ARG  25   8.369  -5.866   0.846
  189    HG2  ARG  25          2HG       ARG  25   8.881  -8.208   0.696
  190    HG3  ARG  25          1HG       ARG  25   7.899  -8.368  -0.763
  191    HD2  ARG  25          2HD       ARG  25  10.396  -6.712  -0.453
  192    HD3  ARG  25          1HD       ARG  25  10.243  -8.229  -1.345
  193    HE   ARG  25           HE       ARG  25   8.348  -6.515  -2.376
  194   HH11  ARG  25          1HH1      ARG  25  11.906  -6.692  -2.262
  195   HH12  ARG  25          2HH1      ARG  25  12.121  -5.696  -3.609
  196   HH21  ARG  25          1HH2      ARG  25   8.696  -5.141  -4.264
  197   HH22  ARG  25          2HH2      ARG  25  10.298  -4.814  -4.753
  198    H    THR  26           HN       THR  26   7.528  -5.790   2.997
  199    HA   THR  26           HA       THR  26   8.346  -8.163   4.236
  200    HB   THR  26           HB       THR  26   8.680  -6.644   6.279
  201    HG1  THR  26          1HG       THR  26   8.191  -4.559   4.414
  202   HG21  THR  26          1HG2      THR  26  10.476  -7.147   4.686
  203   HG22  THR  26          2HG2      THR  26  10.566  -5.477   5.259
  204   HG23  THR  26          3HG2      THR  26   9.920  -5.823   3.658
  205    H    GLU  27           HN       GLU  27   5.392  -6.307   4.481
  206    HA   GLU  27           HA       GLU  27   4.415  -7.862   6.670
  207    HB2  GLU  27          2HB       GLU  27   2.999  -5.925   4.842
  208    HB3  GLU  27          1HB       GLU  27   2.237  -6.708   6.222
  209    HG2  GLU  27          2HG       GLU  27   4.515  -4.765   6.226
  210    HG3  GLU  27          1HG       GLU  27   2.889  -4.534   6.872
  211    H    GLY  28           HN       GLY  28   4.965  -8.876   3.640
  212    HA2  GLY  28          2HA       GLY  28   4.468 -11.081   2.990
  213    HA3  GLY  28          1HA       GLY  28   3.039 -11.039   4.007
  214    H    PHE  29           HN       PHE  29   3.436  -8.326   1.983
  215    HA   PHE  29           HA       PHE  29   1.263  -9.336   0.334
  216    HB2  PHE  29          2HB       PHE  29   2.209  -6.546   0.912
  217    HB3  PHE  29          1HB       PHE  29   0.943  -6.920  -0.256
  218    HD1  PHE  29          1HD       PHE  29   1.804  -6.651   3.258
  219    HD2  PHE  29          2HD       PHE  29  -1.127  -7.822   0.464
  220    HE1  PHE  29          1HE       PHE  29   0.127  -6.651   5.057
  221    HE2  PHE  29          2HE       PHE  29  -2.835  -7.842   2.230
  222    HZ   PHE  29           HZ       PHE  29  -2.213  -7.243   4.549
  223    HA   PRO  30           HA       PRO  30   3.980  -9.566  -3.202
  224    HB2  PRO  30          2HB       PRO  30   2.096  -9.427  -5.162
  225    HB3  PRO  30          1HB       PRO  30   2.424 -10.889  -4.232
  226    HG2  PRO  30          2HG       PRO  30   0.252  -8.864  -3.870
  227    HG3  PRO  30          1HG       PRO  30   0.165 -10.632  -3.769
  228    HD2  PRO  30          2HD       PRO  30   0.259  -9.082  -1.570
  229    HD3  PRO  30          1HD       PRO  30   1.028 -10.680  -1.628
  230    H    GLY  31           HN       GLY  31   1.923  -6.804  -2.613
  231    HA2  GLY  31          2HA       GLY  31   3.828  -5.090  -3.819
  232    HA3  GLY  31          1HA       GLY  31   2.412  -5.260  -4.844
  233    H    GLY  32           HN       GLY  32   2.801  -2.817  -4.129
  234    HA2  GLY  32          2HA       GLY  32   0.643  -2.268  -2.272
  235    HA3  GLY  32          1HA       GLY  32   2.219  -1.558  -1.912
  236    H    ARG  33           HN       ARG  33  -0.482  -0.470  -2.908
  237    HA   ARG  33           HA       ARG  33   0.670   1.250  -4.962
  238    HB2  ARG  33          2HB       ARG  33  -1.778  -0.443  -5.382
  239    HB3  ARG  33          1HB       ARG  33  -1.540   1.049  -6.275
  240    HG2  ARG  33          2HG       ARG  33   0.397  -1.254  -6.264
  241    HG3  ARG  33          1HG       ARG  33  -0.834  -0.989  -7.506
  242    HD2  ARG  33          2HD       ARG  33   0.154   1.119  -8.091
  243    HD3  ARG  33          1HD       ARG  33   1.331   0.995  -6.785
  244    HE   ARG  33           HE       ARG  33   1.648  -1.229  -8.337
  245   HH11  ARG  33          1HH1      ARG  33   1.864   2.282  -8.819
  246   HH12  ARG  33          2HH1      ARG  33   3.095   2.199  -9.986
  247   HH21  ARG  33          1HH2      ARG  33   3.359  -1.349  -9.945
  248   HH22  ARG  33          2HH2      ARG  33   3.937   0.082 -10.653
  249    H    CYS  34           HN       CYS  34  -0.741   3.050  -5.540
  250    HA   CYS  34           HA       CYS  34  -1.851   4.284  -3.167
  251    HB2  CYS  34          2HB       CYS  34  -1.443   5.334  -5.971
  252    HB3  CYS  34          1HB       CYS  34  -1.919   6.283  -4.571
  253    H    ARG  35           HN       ARG  35  -3.998   4.760  -2.923
  254    HA   ARG  35           HA       ARG  35  -5.745   4.118  -5.206
  255    HB2  ARG  35          2HB       ARG  35  -6.487   3.666  -2.311
  256    HB3  ARG  35          1HB       ARG  35  -7.490   3.319  -3.708
  257    HG2  ARG  35          2HG       ARG  35  -5.841   1.640  -4.431
  258    HG3  ARG  35          1HG       ARG  35  -4.916   1.961  -2.965
  259    HD2  ARG  35          2HD       ARG  35  -6.185   0.088  -2.421
  260    HD3  ARG  35          1HD       ARG  35  -7.064   1.428  -1.706
  261    HE   ARG  35           HE       ARG  35  -7.964   0.790  -4.331
  262   HH11  ARG  35          1HH1      ARG  35  -8.385  -0.006  -0.892
  263   HH12  ARG  35          2HH1      ARG  35  -9.804  -0.917  -1.131
  264   HH21  ARG  35          1HH2      ARG  35  -9.968  -0.442  -4.627
  265   HH22  ARG  35          2HH2      ARG  35 -10.727  -1.138  -3.286
  266    H    GLY  36           HN       GLY  36  -5.806   5.831  -2.070
  267    HA2  GLY  36          2HA       GLY  36  -7.893   7.520  -3.060
  268    HA3  GLY  36          1HA       GLY  36  -7.185   7.574  -1.458
  269    H    PHE  37           HN       PHE  37  -7.777   9.839  -2.609
  270    HA   PHE  37           HA       PHE  37  -5.764  10.969  -4.268
  271    HB2  PHE  37          2HB       PHE  37  -8.103  11.740  -4.336
  272    HB3  PHE  37          1HB       PHE  37  -7.959  12.334  -2.689
  273    HD1  PHE  37          1HD       PHE  37  -6.637  12.780  -6.126
  274    HD2  PHE  37          2HD       PHE  37  -7.165  14.510  -2.272
  275    HE1  PHE  37          1HE       PHE  37  -5.867  14.945  -6.994
  276    HE2  PHE  37          2HE       PHE  37  -6.395  16.674  -3.132
  277    HZ   PHE  37           HZ       PHE  37  -5.743  16.900  -5.489
  278    H    ARG  38           HN       ARG  38  -6.021  10.569  -0.861
  279    HA   ARG  38           HA       ARG  38  -4.150  12.714  -0.347
  280    HB2  ARG  38          2HB       ARG  38  -5.205  10.617   1.558
  281    HB3  ARG  38          1HB       ARG  38  -4.149  11.941   2.016
  282    HG2  ARG  38          2HG       ARG  38  -5.943  13.501   1.157
  283    HG3  ARG  38          1HG       ARG  38  -7.000  12.092   1.070
  284    HD2  ARG  38          2HD       ARG  38  -7.357  13.206   3.177
  285    HD3  ARG  38          1HD       ARG  38  -6.538  11.670   3.477
  286    HE   ARG  38           HE       ARG  38  -4.659  13.752   3.145
  287   HH11  ARG  38          1HH1      ARG  38  -6.876  12.441   5.587
  288   HH12  ARG  38          2HH1      ARG  38  -6.036  13.130   6.901
  289   HH21  ARG  38          1HH2      ARG  38  -3.520  14.623   4.905
  290   HH22  ARG  38          2HH2      ARG  38  -4.063  14.399   6.511
  291    H    ARG  39           HN       ARG  39  -3.779   9.915  -1.744
  292    HA   ARG  39           HA       ARG  39  -2.018   8.678  -2.372
  293    HB2  ARG  39          2HB       ARG  39  -0.477  10.920  -1.074
  294    HB3  ARG  39          1HB       ARG  39   0.339   9.517  -1.721
  295    HG2  ARG  39          2HG       ARG  39   0.493  11.254  -3.326
  296    HG3  ARG  39          1HG       ARG  39  -0.645  10.074  -3.951
  297    HD2  ARG  39          2HD       ARG  39  -2.498  11.516  -3.377
  298    HD3  ARG  39          1HD       ARG  39  -1.406  12.650  -2.576
  299    HE   ARG  39           HE       ARG  39  -0.423  12.447  -5.111
  300   HH11  ARG  39          1HH1      ARG  39  -3.597  13.369  -3.853
  301   HH12  ARG  39          2HH1      ARG  39  -3.921  14.460  -5.117
  302   HH21  ARG  39          1HH2      ARG  39  -0.864  13.873  -6.801
  303   HH22  ARG  39          2HH2      ARG  39  -2.346  14.737  -6.877
  304    H    ARG  40           HN       ARG  40  -3.303   7.599  -0.249
  305    HA   ARG  40           HA       ARG  40  -1.185   6.827   1.587
  306    HB2  ARG  40          2HB       ARG  40  -4.091   5.998   1.533
  307    HB3  ARG  40          1HB       ARG  40  -2.927   5.453   2.729
  308    HG2  ARG  40          2HG       ARG  40  -3.802   8.300   2.277
  309    HG3  ARG  40          1HG       ARG  40  -4.288   7.252   3.610
  310    HD2  ARG  40          2HD       ARG  40  -1.980   7.168   4.399
  311    HD3  ARG  40          1HD       ARG  40  -1.458   8.155   3.032
  312    HE   ARG  40           HE       ARG  40  -3.525   9.366   4.527
  313   HH11  ARG  40          1HH1      ARG  40   0.023   8.865   4.568
  314   HH12  ARG  40          2HH1      ARG  40   0.309  10.303   5.415
  315   HH21  ARG  40          1HH2      ARG  40  -3.075  11.279   5.678
  316   HH22  ARG  40          2HH2      ARG  40  -1.476  11.715   6.093
  317    H    CYS  41           HN       CYS  41  -0.554   4.714   1.963
  318    HA   CYS  41           HA       CYS  41  -0.238   3.241  -0.518
  319    HB2  CYS  41          2HB       CYS  41   1.774   3.764   0.780
  320    HB3  CYS  41          1HB       CYS  41   1.087   2.993   2.196
  321    H    PHE  42           HN       PHE  42  -1.164   1.350  -0.893
  322    HA   PHE  42           HA       PHE  42  -2.518   0.006   1.307
  323    HB2  PHE  42          2HB       PHE  42  -3.451   0.422  -1.526
  324    HB3  PHE  42          1HB       PHE  42  -4.090  -0.822  -0.460
  325    HD1  PHE  42          1HD       PHE  42  -5.860  -0.355   0.931
  326    HD2  PHE  42          2HD       PHE  42  -3.613   2.860  -0.701
  327    HE1  PHE  42          1HE       PHE  42  -7.510   1.231   1.810
  328    HE2  PHE  42          2HE       PHE  42  -5.263   4.461   0.178
  329    HZ   PHE  42           HZ       PHE  42  -7.217   3.640   1.437
  330    H    CYS  43           HN       CYS  43  -1.898  -1.933   1.578
  331    HA   CYS  43           HA       CYS  43   0.010  -3.167  -0.144
  332    HB2  CYS  43          2HB       CYS  43  -1.387  -4.102   2.354
  333    HB3  CYS  43          1HB       CYS  43  -0.085  -4.966   1.547
  334    H    THR  44           HN       THR  44  -0.483  -4.384  -1.770
  335    HA   THR  44           HA       THR  44  -3.199  -5.124  -2.347
  336    HB   THR  44           HB       THR  44  -0.639  -5.649  -3.851
  337    HG1  THR  44          1HG       THR  44  -2.135  -3.370  -3.454
  338   HG21  THR  44          1HG2      THR  44  -3.529  -5.578  -4.755
  339   HG22  THR  44          2HG2      THR  44  -2.533  -7.026  -4.602
  340   HG23  THR  44          3HG2      THR  44  -2.138  -5.806  -5.814
  341    H    THR  45           HN       THR  45  -3.994  -7.108  -1.939
  342    HA   THR  45           HA       THR  45  -2.171  -9.369  -1.885
  343    HB   THR  45           HB       THR  45  -2.746  -8.843   0.491
  344    HG1  THR  45          1HG       THR  45  -2.575 -10.907   0.557
  345   HG21  THR  45          1HG2      THR  45  -4.919  -7.762   0.130
  346   HG22  THR  45          2HG2      THR  45  -5.046  -9.089   1.290
  347   HG23  THR  45          3HG2      THR  45  -5.595  -9.313  -0.371
  348    H    HIS  46           HN       HIS  46  -3.437 -11.358  -2.262
  349    HA   HIS  46           HA       HIS  46  -5.593 -10.783  -4.161
  350    HB2  HIS  46          2HB       HIS  46  -3.760 -13.175  -3.901
  351    HB3  HIS  46          1HB       HIS  46  -5.165 -13.149  -4.953
  352    HD1  HIS  46          1HD       HIS  46  -4.761 -12.290  -7.275
  353    HD2  HIS  46          2HD       HIS  46  -1.761 -11.191  -4.630
  354    HE1  HIS  46          1HE       HIS  46  -2.967 -11.196  -8.677
  355    H    CYS  47           HN       CYS  47  -7.590 -11.534  -3.764
  356    HA   CYS  47           HA       CYS  47  -7.855 -13.076  -1.350
  357    HB2  CYS  47          2HB       CYS  47  -9.857 -11.382  -2.836
  358    HB3  CYS  47          1HB       CYS  47 -10.336 -12.475  -1.540