*HEADER    TOXIN                                   18-JAN-06   2FQC              
*TITLE     SOLUTION STRUCTURE OF CONOTOXIN PL14A                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CONOTOXIN PL14A;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED. THIS SEQUENCE                 
*SOURCE   4 OCCURS NATURALLY IN CONUS PLANORBIS                                  
*KEYWDS    ALPHA-HELIX, DISULFIDE BONDS                                          
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    D.J.CRAIK, N.L.DALY                                                   
*REVDAT   1   18-JUL-06 2FQC    0                                                

assign (resid   1 and name   HA)   (resid   2 and name  HD#)   2.595    0.795    0.795  
assign (resid   1 and name  HD#)   (resid   2 and name  HD#)   5.150    3.350    3.350  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.115    0.315    0.315  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   2.945    1.145    1.145  
assign (resid   2 and name  HG#)   (resid   3 and name   HA)   3.870    2.070    2.070  
assign (resid   3 and name   HN)   (resid   4 and name  HD2)   3.465    1.665    1.665  
assign (resid   3 and name   HN)   (resid   4 and name  HD1)   3.465    1.665    1.665  
assign (resid   3 and name   HN)   (resid   4 and name  HD#)   3.395    1.595    1.595  
assign (resid   3 and name   HA)   (resid   4 and name  HD2)   2.350    0.550    0.550  
assign (resid   3 and name   HA)   (resid   4 and name  HD1)   2.350    0.550    0.550  
assign (resid   3 and name   HA)   (resid   4 and name  HD#)   2.230    0.430    0.430  
assign (resid   3 and name  HB2)   (resid   4 and name  HD2)   3.325    1.525    1.525  
assign (resid   3 and name  HB2)   (resid   4 and name  HD1)   3.325    1.525    1.525  
assign (resid   3 and name  HB1)   (resid   4 and name  HD2)   3.325    1.525    1.525  
assign (resid   3 and name  HB1)   (resid   4 and name  HD1)   3.325    1.525    1.525  
assign (resid   3 and name  HB#)   (resid   4 and name  HD#)   2.830    1.030    1.030  
assign (resid   3 and name  HG#)   (resid   4 and name  HD2)   4.090    2.290    2.290  
assign (resid   3 and name  HG#)   (resid   4 and name  HD1)   4.090    2.290    2.290  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.160    0.360    0.360  
assign (resid   4 and name   HA)   (resid   6 and name   HN)   2.920    1.120    1.120  
assign (resid   4 and name  HB#)   (resid   6 and name   HN)   3.870    2.070    2.070  
assign (resid   4 and name  HB#)   (resid   6 and name HG2#)   4.570    2.770    2.770  
assign (resid   4 and name  HB#)   (resid  21 and name  HE#)   5.150    3.350    3.350  
assign (resid   4 and name  HG#)   (resid   5 and name   HN)   3.560    1.760    1.760  
assign (resid   4 and name  HG#)   (resid   6 and name   HN)   3.870    2.070    2.070  
assign (resid   4 and name  HG#)   (resid   6 and name HG2#)   4.045    2.245    2.245  
assign (resid   4 and name  HG#)   (resid   7 and name   HN)   4.090    2.290    2.290  
assign (resid   4 and name  HG#)   (resid  21 and name  HD#)   4.640    2.840    2.840  
assign (resid   4 and name  HG#)   (resid  21 and name  HE#)   4.620    2.820    2.820  
assign (resid   5 and name   HN)   (resid   6 and name   HN)   2.470    0.670    0.670  
assign (resid   5 and name  HG#)   (resid   6 and name   HN)   4.090    2.290    2.290  
assign (resid   6 and name   HN)   (resid   7 and name   HN)   2.455    0.655    0.655  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   0 0 3.5  
assign (resid   6 and name   HA)   (resid   8 and name   HN)   2.765    0.965    0.965  
assign (resid   6 and name   HA)   (resid   8 and name HD2#)   4.085    2.285    2.285  
assign (resid   6 and name   HA)   (resid   9 and name   HN)   3.015    1.215    1.215  
assign (resid   6 and name   HA)   (resid   9 and name  HD#)   4.950    3.150    3.150  
assign (resid   6 and name   HA)   (resid  10 and name   HN)   3.110    1.310    1.310  
assign (resid   6 and name   HB)   (resid   7 and name   HN)   2.640    0.840    0.840  
assign (resid   6 and name   HB)   (resid   8 and name   HN)   3.280    1.480    1.480  
assign (resid   6 and name   HB)   (resid  21 and name  HE#)   4.710    2.910    2.910  
assign (resid   6 and name HG2#)   (resid   7 and name   HN)   3.250    1.450    1.450  
assign (resid   6 and name HG2#)   (resid   7 and name   HA)   3.700    1.900    1.900  
assign (resid   6 and name HG2#)   (resid   8 and name   HN)   4.165    2.365    2.365  
assign (resid   6 and name HG2#)   (resid  19 and name  HB#)   4.600    2.800    2.800  
assign (resid   6 and name HG2#)   (resid  19 and name  HD#)   5.235    3.435    3.435  
assign (resid   6 and name HG2#)   (resid  19 and name  HE#)   5.230    3.430    3.430  
assign (resid   6 and name HG2#)   (resid  21 and name  HD#)   5.225    3.425    3.425  
assign (resid   6 and name HG2#)   (resid  21 and name  HE#)   4.310    2.510    2.510  
assign (resid   6 and name HG1#)   (resid   7 and name   HN)   4.090    2.290    2.290  
assign (resid   6 and name HD1#)   (resid  19 and name  HD#)   5.235    3.435    3.435  
assign (resid   6 and name HD1#)   (resid  19 and name  HE#)   5.155    3.355    3.355  
assign (resid   6 and name HD1#)   (resid  21 and name  HE#)   4.790    2.990    2.990  
assign (resid   7 and name   HN)   (resid   8 and name   HN)   2.425    0.625    0.625  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.720    0.920    0.920  
assign (resid   7 and name   HA)   (resid   9 and name   HN)   3.215    1.415    1.415  
assign (resid   7 and name   HA)   (resid  10 and name   HN)   2.580    0.780    0.780  
assign (resid   7 and name   HA)   (resid  10 and name  HB#)   2.895    1.095    1.095  
assign (resid   7 and name   HA)   (resid  11 and name   HN)   2.830    1.030    1.030  
assign (resid   7 and name   HA)   (resid  22 and name  HB#)   3.560    1.760    1.760  
assign (resid   7 and name  HB1)   (resid   8 and name   HN)   2.735    0.935    0.935  
assign (resid   7 and name  HB1)   (resid  22 and name   HA)   3.045    1.245    1.245  
assign (resid   8 and name   HN)   (resid   9 and name   HN)   2.410    0.610    0.610  
assign (resid   8 and name   HA)   (resid  10 and name   HN)   3.310    1.510    1.510  
assign (resid   8 and name   HA)   (resid  11 and name   HN)   2.935    1.135    1.135  
assign (resid   8 and name   HA)   (resid  11 and name  HB#)   3.145    1.345    1.345  
assign (resid   8 and name   HA)   (resid  12 and name   HN)   3.200    1.400    1.400  
assign (resid   8 and name  HB2)   (resid   9 and name   HN)   2.625    0.825    0.825  
assign (resid   8 and name  HB1)   (resid   9 and name   HN)   2.625    0.825    0.825  
assign (resid   9 and name   HN)   (resid  10 and name   HN)   2.255    0.455    0.455  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.595    0.795    0.795  
assign (resid   9 and name   HA)   (resid  12 and name   HN)   2.815    1.015    1.015  
assign (resid   9 and name  HB#)   (resid  10 and name   HN)   3.005    1.205    1.205  
assign (resid   9 and name   HG)   (resid  10 and name   HN)   2.580    0.780    0.780  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   2.485    0.685    0.685  
assign (resid  10 and name   HN)   (resid  22 and name  HB2)   3.650    1.850    1.850  
assign (resid  10 and name   HN)   (resid  22 and name  HB1)   3.650    1.850    1.850  
assign (resid  10 and name   HA)   (resid  13 and name   HN)   2.795    0.995    0.995  
assign (resid  10 and name   HA)   (resid  13 and name  HB#)   3.235    1.435    1.435  
assign (resid  10 and name   HA)   (resid  15 and name HG2#)   4.040    2.240    2.240  
assign (resid  10 and name   HA)   (resid  15 and name HG12)   2.845    1.045    1.045  
assign (resid  10 and name   HA)   (resid  15 and name HG11)   2.845    1.045    1.045  
assign (resid  10 and name   HA)   (resid  15 and name HG1#)   2.745    0.945    0.945  
assign (resid  10 and name   HA)   (resid  15 and name HD1#)   3.590    1.790    1.790  
assign (resid  10 and name  HB#)   (resid  11 and name   HN)   3.095    1.295    1.295  
assign (resid  10 and name  HB#)   (resid  16 and name   HN)   4.085    2.285    2.285  
assign (resid  10 and name  HB#)   (resid  16 and name  HA#)   3.890    2.090    2.090  
assign (resid  10 and name  HB#)   (resid  19 and name  HB#)   4.355    2.555    2.555  
assign (resid  10 and name  HB#)   (resid  19 and name  HD#)   4.210    2.410    2.410  
assign (resid  10 and name  HB#)   (resid  19 and name  HE#)   4.580    2.780    2.780  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   2.395    0.595    0.595  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.675    0.875    0.875  
assign (resid  11 and name   HA)   (resid  14 and name   HN)   2.890    1.090    1.090  
assign (resid  11 and name   HA)   (resid  15 and name   HN)   3.060    1.260    1.260  
assign (resid  11 and name   HA)   (resid  16 and name   HN)   2.720    0.920    0.920  
assign (resid  11 and name  HB2)   (resid  12 and name   HN)   2.765    0.965    0.965  
assign (resid  11 and name  HB2)   (resid  25 and name   HN)   3.650    1.850    1.850  
assign (resid  11 and name  HB1)   (resid  12 and name   HN)   2.765    0.965    0.965  
assign (resid  11 and name  HB1)   (resid  25 and name   HN)   3.650    1.850    1.850  
assign (resid  11 and name  HB#)   (resid  12 and name   HN)   2.590    0.790    0.790  
assign (resid  12 and name   HN)   (resid  13 and name   HN)   2.365    0.565    0.565  
assign (resid  12 and name   HA)   (resid  13 and name   HN)   0 0 3.5
assign (resid  12 and name  HB#)   (resid  13 and name   HN)   3.005    1.205    1.205  
assign (resid  12 and name  HG#)   (resid  13 and name   HN)   4.090    2.290    2.290  
assign (resid  13 and name   HA)   (resid  14 and name   HN)   2.455    0.655    0.655  
assign (resid  13 and name  HB#)   (resid  15 and name   HN)   3.435    1.635    1.635  
assign (resid  13 and name  HB#)   (resid  16 and name   HN)   4.150    2.350    2.350  
assign (resid  14 and name  HA1)   (resid  15 and name   HN)   2.520    0.720    0.720  
assign (resid  14 and name  HA1)   (resid  16 and name   HN)   2.830    1.030    1.030  
assign (resid  14 and name  HA2)   (resid  15 and name   HN)   2.520    0.720    0.720  
assign (resid  14 and name  HA2)   (resid  16 and name   HN)   2.830    1.030    1.030  
assign (resid  14 and name  HA#)   (resid  15 and name   HN)   2.425    0.625    0.625  
assign (resid  15 and name   HN)   (resid  16 and name   HN)   2.285    0.485    0.485  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.335    0.535    0.535  
assign (resid  15 and name   HA)   (resid  18 and name   HN)   3.245    1.445    1.445  
assign (resid  15 and name   HB)   (resid  16 and name   HN)  0 0 5  
assign (resid  15 and name   HB)   (resid  18 and name   HN)   3.185    1.385    1.385  
assign (resid  15 and name   HB)   (resid  18 and name  HB#)   3.220    1.420    1.420  
assign (resid  15 and name HG2#)   (resid  16 and name   HN)   3.605    1.805    1.805  
assign (resid  15 and name HG2#)   (resid  19 and name  HD#)   5.235    3.435    3.435  
assign (resid  15 and name HG2#)   (resid  19 and name  HE#)   5.230    3.430    3.430  
assign (resid  15 and name HG1#)   (resid  16 and name   HN)   3.655    1.855    1.855  
assign (resid  15 and name HG1#)   (resid  19 and name  HD#)   5.160    3.360    3.360  
assign (resid  15 and name HG1#)   (resid  19 and name  HE#)   5.045    3.245    3.245  
assign (resid  15 and name HD1#)   (resid  16 and name   HN)   4.165    2.365    2.365  
assign (resid  15 and name HD1#)   (resid  19 and name  HD#)   4.955    3.155    3.155  
assign (resid  15 and name HD1#)   (resid  19 and name  HE#)   4.285    2.485    2.485  
assign (resid  16 and name  HA#)   (resid  18 and name   HN)   3.625    1.825    1.825  
assign (resid  16 and name  HA#)   (resid  19 and name   HN)   3.390    1.590    1.590  
assign (resid  16 and name  HA#)   (resid  19 and name  HB#)   4.090    2.290    2.290  
assign (resid  16 and name  HA#)   (resid  19 and name  HD#)   5.160    3.360    3.360  
assign (resid  17 and name   HN)   (resid  18 and name   HN)   2.440    0.640    0.640  
assign (resid  17 and name   HA)   (resid  18 and name   HN)   2.595    0.795    0.795  
assign (resid  17 and name   HA)   (resid  19 and name   HN)   3.045    1.245    1.245  
assign (resid  17 and name  HB#)   (resid  18 and name   HN)   3.280    1.480    1.480  
assign (resid  18 and name   HA)   (resid  19 and name   HN)   0 0 3.5
assign (resid  18 and name   HA)   (resid  19 and name  HD#)   4.720    2.920    2.920  
assign (resid  18 and name  HB2)   (resid  19 and name   HN)   3.060    1.260    1.260  
assign (resid  18 and name  HB2)   (resid  19 and name  HD#)   4.425    2.625    2.625  
assign (resid  18 and name  HB2)   (resid  19 and name  HE#)   4.590    2.790    2.790  
assign (resid  18 and name  HB1)   (resid  19 and name   HN)   3.060    1.260    1.260  
assign (resid  18 and name  HB1)   (resid  19 and name  HD#)   4.425    2.625    2.625  
assign (resid  18 and name  HB1)   (resid  19 and name  HE#)   4.590    2.790    2.790  
assign (resid  18 and name  HB#)   (resid  19 and name   HN)   2.975    1.175    1.175  
assign (resid  18 and name  HB#)   (resid  19 and name  HD#)   4.270    2.470    2.470  
assign (resid  18 and name  HB#)   (resid  19 and name  HE#)   4.345    2.545    2.545  
assign (resid  19 and name   HN)   (resid  20 and name  HD2)   3.590    1.790    1.790  
assign (resid  19 and name   HN)   (resid  20 and name  HD1)   3.590    1.790    1.790  
assign (resid  19 and name   HN)   (resid  20 and name  HD#)   3.355    1.555    1.555  
assign (resid  19 and name   HA)   (resid  20 and name  HD2)   2.270    0.470    0.470  
assign (resid  19 and name   HA)   (resid  20 and name  HD1)   2.270    0.470    0.470  
assign (resid  19 and name  HB#)   (resid  20 and name  HD#)   4.525    2.725    2.725  
assign (resid  19 and name  HB#)   (resid  21 and name   HN)   3.870    2.070    2.070  
assign (resid  19 and name  HB#)   (resid  21 and name  HD#)   5.150    3.350    3.350  
assign (resid  19 and name  HB#)   (resid  21 and name  HE#)   4.795    2.995    2.995  
assign (resid  19 and name  HB#)   (resid  22 and name   HN)   3.470    1.670    1.670  
assign (resid  19 and name  HB#)   (resid  22 and name  HB2)   4.040    2.240    2.240  
assign (resid  19 and name  HB#)   (resid  22 and name  HB1)   4.040    2.240    2.240  
assign (resid  19 and name  HB#)   (resid  22 and name  HB#)   3.875    2.075    2.075  
assign (resid  19 and name  HD#)   (resid  20 and name  HD2)   4.720    2.920    2.920  
assign (resid  19 and name  HD#)   (resid  20 and name  HD1)   4.720    2.920    2.920  
assign (resid  19 and name  HD#)   (resid  21 and name  HE#)   5.005    3.205    3.205  
assign (resid  20 and name  HB#)   (resid  21 and name   HN)   3.005    1.205    1.205  
assign (resid  20 and name  HD#)   (resid  21 and name  HD#)   4.670    2.870    2.870  
assign (resid  20 and name  HD#)   (resid  21 and name  HE#)   4.995    3.195    3.195  
assign (resid  21 and name   HA)   (resid  22 and name   HN)   2.660    0.860    0.860  
assign (resid  22 and name   HN)   (resid  23 and name   HN)   2.505    0.705    0.705  
assign (resid  22 and name   HA)   (resid  23 and name   HN)   2.425    0.625    0.625  
assign (resid  22 and name  HB#)   (resid  23 and name   HN)   3.205    1.405    1.405  
assign (resid  22 and name  HB#)   (resid  24 and name   HN)   3.190    1.390    1.390  
assign (resid  23 and name   HN)   (resid  24 and name   HN)   2.595    0.795    0.795  
assign (resid  23 and name   HA)   (resid  24 and name   HN)   2.255    0.455    0.455  
assign (resid  23 and name  HB#)   (resid  24 and name   HN)   3.360    1.560    1.560  
assign (resid  24 and name   HA)   (resid  25 and name   HN)   2.130    0.330    0.330  
assign (resid  24 and name  HB1)   (resid  25 and name   HN)   2.535    0.735    0.735  
assign (resid  6 and name    O)   (resid  10 and name    N)   2.400    0.600    0.600  
assign (resid  6 and name    O)   (resid  10 and name   HN)   1.900    0.100    0.100  
assign (resid  11 and name    N)   (resid  7 and name    O)   2.400    0.600    0.600  
assign (resid  11 and name   HN)   (resid  7 and name    O)   1.900    0.100    0.100  
assign (resid 15 and name    O)   (resid  19 and name    N)   2.400    0.600    0.600  
assign (resid  15 and name    O)   (resid  19 and name   HN)   1.900    0.100    0.100  
assign (resid  13 and name    N)   (resid  9 and name    O)   2.400    0.600    0.600  
assign (resid  13 and name   HN)   (resid  9 and name    O)   1.900    0.100    0.100  
assign (resid   15 and name    N)   (resid  10 and name    O)   2.400    0.600    0.600  
assign (resid   15 and name   HN)   (resid  10 and name    O)   1.900    0.100    0.100  
assign (resid   22 and name    N)   (resid  19 and name    O)   2.400    0.600    0.600  
assign (resid   22 and name   HN)   (resid  19 and name    O)   1.900    0.100    0.100
assign (resid 19 and name    HA)    (resid  21 and name  HE#) 0 0 5.5

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    PHE   1          1HT       PHE   1   5.439  14.499   2.745
    2   2H    PHE   1          2HT       PHE   1   6.271  13.243   3.514
    3   3H    PHE   1          3HT       PHE   1   4.589  13.355   3.658
    4    HA   PHE   1           HA       PHE   1   5.563  13.202   0.946
    5   1HB   PHE   1          2HB       PHE   1   7.116  11.692   2.152
    6   2HB   PHE   1          1HB       PHE   1   5.741  10.848   2.852
    7    HD1  PHE   1           1HD      PHE   1   6.871  11.888  -0.560
    8    HD2  PHE   1           2HD      PHE   1   5.261   8.824   1.918
    9    HE1  PHE   1           1HE      PHE   1   6.828  10.357  -2.486
   10    HE2  PHE   1           2HE      PHE   1   5.216   7.288  -0.004
   11    HZ   PHE   1           HZ       PHE   1   6.000   8.054  -2.209
   12    HA   PRO   2           HA       PRO   2   1.130  12.600   0.908
   13   1HB   PRO   2          2HB       PRO   2   0.854  12.170  -1.759
   14   2HB   PRO   2          1HB       PRO   2   1.113  13.777  -1.072
   15   1HG   PRO   2          2HG       PRO   2   3.081  11.924  -2.353
   16   2HG   PRO   2          1HG       PRO   2   2.911  13.679  -2.538
   17   1HD   PRO   2          2HD       PRO   2   4.789  12.546  -0.943
   18   2HD   PRO   2          1HD       PRO   2   4.052  14.122  -0.590
   19    H    ARG   3           H        ARG   3  -0.177  10.835   1.082
   20    HA   ARG   3           HA       ARG   3   0.990   8.244   1.030
   21   1HB   ARG   3          2HB       ARG   3  -1.772   9.289   1.537
   22   2HB   ARG   3          1HB       ARG   3  -1.513   7.564   1.327
   23   1HG   ARG   3          2HG       ARG   3   0.070   7.588   3.201
   24   2HG   ARG   3          1HG       ARG   3  -0.239   9.313   3.421
   25   1HD   ARG   3          2HD       ARG   3  -1.549   7.912   4.974
   26   2HD   ARG   3          1HD       ARG   3  -2.566   8.875   3.905
   27    HE   ARG   3           HE       ARG   3  -3.400   6.946   3.005
   28   1HH1  ARG   3          1HH1      ARG   3  -0.506   6.147   4.814
   29   2HH1  ARG   3          2HH1      ARG   3  -0.696   4.438   4.607
   30   1HH2  ARG   3          1HH2      ARG   3  -3.647   4.702   2.711
   31   2HH2  ARG   3          2HH2      ARG   3  -2.492   3.610   3.413
   32    HA   PRO   4           HA       PRO   4   0.341   7.598  -3.358
   33   1HB   PRO   4          2HB       PRO   4   1.175   4.853  -2.632
   34   2HB   PRO   4          1HB       PRO   4   1.870   5.960  -3.820
   35   1HG   PRO   4          2HG       PRO   4   3.123   5.425  -1.515
   36   2HG   PRO   4          1HG       PRO   4   3.175   7.041  -2.247
   37   1HD   PRO   4          2HD       PRO   4   1.532   6.055   0.055
   38   2HD   PRO   4          1HD       PRO   4   2.356   7.613  -0.160
   39    H    ARG   5           H        ARG   5  -1.430   6.891  -4.412
   40    HA   ARG   5           HA       ARG   5  -3.691   5.984  -3.082
   41   1HB   ARG   5          2HB       ARG   5  -3.724   7.095  -5.288
   42   2HB   ARG   5          1HB       ARG   5  -3.043   5.647  -6.017
   43   1HG   ARG   5          2HG       ARG   5  -5.028   4.382  -5.427
   44   2HG   ARG   5          1HG       ARG   5  -5.707   5.794  -4.617
   45   1HD   ARG   5          2HD       ARG   5  -5.018   5.633  -7.551
   46   2HD   ARG   5          1HD       ARG   5  -6.636   5.449  -6.877
   47    HE   ARG   5           HE       ARG   5  -5.243   7.888  -7.366
   48   1HH1  ARG   5          1HH1      ARG   5  -7.646   6.393  -5.302
   49   2HH1  ARG   5          2HH1      ARG   5  -8.370   7.896  -4.836
   50   1HH2  ARG   5          1HH2      ARG   5  -6.198   9.879  -6.753
   51   2HH2  ARG   5          2HH2      ARG   5  -7.545   9.882  -5.663
   52    H    ILE   6           H        ILE   6  -1.127   4.182  -4.636
   53    HA   ILE   6           HA       ILE   6  -2.365   1.658  -4.684
   54    HB   ILE   6           HB       ILE   6   0.577   2.269  -4.434
   55   1HG1  ILE   6          2HG1      ILE   6  -0.398   3.404  -6.369
   56   2HG1  ILE   6          1HG1      ILE   6   0.638   2.080  -6.892
   57   1HG2  ILE   6          1HG2      ILE   6  -0.805  -0.195  -4.415
   58   2HG2  ILE   6          2HG2      ILE   6   0.937   0.081  -4.463
   59   3HG2  ILE   6          3HG2      ILE   6   0.027  -0.071  -5.966
   60   1HD1  ILE   6          1HD1      ILE   6  -1.881   0.942  -6.697
   61   2HD1  ILE   6          2HD1      ILE   6  -1.046   1.428  -8.174
   62   3HD1  ILE   6          3HD1      ILE   6  -2.166   2.540  -7.387
   63    H    CYS   7           H        CYS   7  -0.447   3.292  -2.230
   64    HA   CYS   7           HA       CYS   7  -0.117   1.153  -0.462
   65   1HB   CYS   7          2HB       CYS   7  -0.315   4.125   0.013
   66   2HB   CYS   7          1HB       CYS   7   0.028   2.977   1.299
   67    H    ASN   8           H        ASN   8  -2.834   3.198  -1.118
   68    HA   ASN   8           HA       ASN   8  -4.311   2.555   1.246
   69   1HB   ASN   8          2HB       ASN   8  -5.223   3.601  -1.442
   70   2HB   ASN   8          1HB       ASN   8  -6.284   3.412  -0.051
   71   1HD2  ASN   8          1HD2      ASN   8  -4.772   5.656  -1.714
   72   2HD2  ASN   8          2HD2      ASN   8  -4.371   6.789  -0.477
   73    H    LEU   9           H        LEU   9  -4.292   1.354  -2.060
   74    HA   LEU   9           HA       LEU   9  -6.266  -0.633  -1.751
   75   1HB   LEU   9          2HB       LEU   9  -5.640   0.045  -3.954
   76   2HB   LEU   9          1HB       LEU   9  -3.953  -0.322  -3.654
   77    HG   LEU   9           HG       LEU   9  -4.568  -2.737  -3.505
   78   1HD1  LEU   9          1HD1      LEU   9  -7.246  -1.672  -4.372
   79   2HD1  LEU   9          2HD1      LEU   9  -6.875  -2.645  -2.948
   80   3HD1  LEU   9          3HD1      LEU   9  -6.760  -3.356  -4.559
   81   1HD2  LEU   9          1HD2      LEU   9  -4.540  -3.071  -5.827
   82   2HD2  LEU   9          2HD2      LEU   9  -3.737  -1.521  -5.582
   83   3HD2  LEU   9          3HD2      LEU   9  -5.410  -1.569  -6.141
   84    H    ALA  10           H        ALA  10  -2.784  -0.647  -1.449
   85    HA   ALA  10           HA       ALA  10  -2.337  -3.351  -0.965
   86   1HB   ALA  10          1HB       ALA  10  -0.444  -2.034   0.574
   87   2HB   ALA  10          2HB       ALA  10  -0.846  -0.882  -0.699
   88   3HB   ALA  10          3HB       ALA  10  -0.284  -2.500  -1.120
   89    H    CYS  11           H        CYS  11  -3.025  -0.720   1.337
   90    HA   CYS  11           HA       CYS  11  -2.794  -2.269   3.676
   91   1HB   CYS  11          2HB       CYS  11  -4.519   0.166   3.130
   92   2HB   CYS  11          1HB       CYS  11  -4.286  -0.530   4.724
   93    H    ARG  12           H        ARG  12  -5.583  -1.568   1.602
   94    HA   ARG  12           HA       ARG  12  -7.538  -2.819   3.175
   95   1HB   ARG  12          2HB       ARG  12  -7.996  -1.275   1.282
   96   2HB   ARG  12          1HB       ARG  12  -7.507  -2.546   0.168
   97   1HG   ARG  12          2HG       ARG  12  -9.329  -3.967   1.120
   98   2HG   ARG  12          1HG       ARG  12  -9.873  -2.554   2.025
   99   1HD   ARG  12          2HD       ARG  12 -11.172  -2.745   0.006
  100   2HD   ARG  12          1HD       ARG  12 -10.123  -1.333  -0.111
  101    HE   ARG  12           HE       ARG  12  -9.167  -2.276  -1.941
  102   1HH1  ARG  12          1HH1      ARG  12 -10.630  -4.850  -0.066
  103   2HH1  ARG  12          2HH1      ARG  12 -10.236  -6.087  -1.211
  104   1HH2  ARG  12          1HH2      ARG  12  -8.649  -3.909  -3.463
  105   2HH2  ARG  12          2HH2      ARG  12  -9.106  -5.550  -3.149
  106    H    ALA  13           H        ALA  13  -5.664  -4.080   0.439
  107    HA   ALA  13           HA       ALA  13  -6.803  -6.693   0.648
  108   1HB   ALA  13          1HB       ALA  13  -5.536  -5.379  -1.344
  109   2HB   ALA  13          2HB       ALA  13  -5.778  -7.125  -1.309
  110   3HB   ALA  13          3HB       ALA  13  -4.247  -6.436  -0.770
  111    H    GLY  14           H        GLY  14  -4.436  -5.065   2.301
  112   1HA   GLY  14          2HA       GLY  14  -3.127  -5.717   4.094
  113   2HA   GLY  14          1HA       GLY  14  -3.761  -7.336   3.897
  114    H    ILE  15           H        ILE  15  -2.440  -5.826   1.172
  115    HA   ILE  15           HA       ILE  15  -0.213  -7.709   1.213
  116    HB   ILE  15           HB       ILE  15   0.165  -6.968  -1.154
  117   1HG1  ILE  15          2HG1      ILE  15  -2.459  -5.519  -0.737
  118   2HG1  ILE  15          1HG1      ILE  15  -0.893  -4.750  -0.974
  119   1HG2  ILE  15          1HG2      ILE  15  -2.477  -7.840  -1.578
  120   2HG2  ILE  15          2HG2      ILE  15  -1.930  -8.583  -0.075
  121   3HG2  ILE  15          3HG2      ILE  15  -1.003  -8.808  -1.557
  122   1HD1  ILE  15          1HD1      ILE  15  -2.685  -5.209  -2.934
  123   2HD1  ILE  15          2HD1      ILE  15  -1.676  -6.649  -3.068
  124   3HD1  ILE  15          3HD1      ILE  15  -0.948  -5.047  -3.193
  125    H    GLY  16           H        GLY  16  -0.542  -5.200   2.791
  126   1HA   GLY  16          2HA       GLY  16   1.251  -3.225   1.902
  127   2HA   GLY  16          1HA       GLY  16   0.819  -3.527   3.580
  128    H    HIS  17           H        HIS  17   1.808  -6.111   3.878
  129    HA   HIS  17           HA       HIS  17   4.556  -5.554   4.328
  130   1HB   HIS  17          2HB       HIS  17   2.969  -7.182   5.597
  131   2HB   HIS  17          1HB       HIS  17   3.422  -8.337   4.350
  132    HD1  HIS  17           1HD      HIS  17   6.363  -8.073   4.088
  133    HD2  HIS  17           2HD      HIS  17   4.456  -7.738   7.770
  134    HE1  HIS  17           1HE      HIS  17   8.117  -8.610   5.810
  135    H    LYS  18           H        LYS  18   2.833  -6.732   1.645
  136    HA   LYS  18           HA       LYS  18   5.055  -8.161   0.479
  137   1HB   LYS  18          2HB       LYS  18   2.801  -8.962   0.039
  138   2HB   LYS  18          1HB       LYS  18   2.357  -7.410  -0.658
  139   1HG   LYS  18          2HG       LYS  18   2.772  -9.063  -2.389
  140   2HG   LYS  18          1HG       LYS  18   3.953  -7.754  -2.466
  141   1HD   LYS  18          2HD       LYS  18   5.381  -9.335  -0.957
  142   2HD   LYS  18          1HD       LYS  18   4.316 -10.590  -1.593
  143   1HE   LYS  18          2HE       LYS  18   6.319 -10.431  -2.947
  144   2HE   LYS  18          1HE       LYS  18   4.915  -9.913  -3.879
  145   1HZ   LYS  18          1HZ       LYS  18   7.238  -8.511  -3.533
  146   2HZ   LYS  18          2HZ       LYS  18   6.145  -7.730  -2.502
  147   3HZ   LYS  18          3HZ       LYS  18   5.786  -7.900  -4.149
  148    H    TYR  19           H        TYR  19   3.504  -5.021   0.168
  149    HA   TYR  19           HA       TYR  19   5.319  -4.280  -2.014
  150   1HB   TYR  19          2HB       TYR  19   2.923  -2.921  -0.779
  151   2HB   TYR  19          1HB       TYR  19   3.969  -2.108  -1.935
  152    HD1  TYR  19           1HD      TYR  19   2.938  -5.678  -2.051
  153    HD2  TYR  19           2HD      TYR  19   2.459  -1.796  -3.722
  154    HE1  TYR  19           1HE      TYR  19   1.638  -6.639  -3.900
  155    HE2  TYR  19           2HE      TYR  19   1.157  -2.750  -5.576
  156    HH   TYR  19           HH       TYR  19   0.260  -4.586  -6.442
  157    HA   PRO  20           HA       PRO  20   8.208  -2.840   1.165
  158   1HB   PRO  20          2HB       PRO  20   9.405  -1.674  -1.304
  159   2HB   PRO  20          1HB       PRO  20  10.176  -2.584  -0.001
  160   1HG   PRO  20          2HG       PRO  20   9.670  -3.747  -2.335
  161   2HG   PRO  20          1HG       PRO  20   9.437  -4.632  -0.815
  162   1HD   PRO  20          2HD       PRO  20   7.409  -3.418  -2.637
  163   2HD   PRO  20          1HD       PRO  20   7.316  -4.907  -1.676
  164    H    PHE  21           H        PHE  21   7.289  -0.701  -1.543
  165    HA   PHE  21           HA       PHE  21   7.767   1.676  -0.070
  166   1HB   PHE  21          2HB       PHE  21   6.396   2.728  -1.986
  167   2HB   PHE  21          1HB       PHE  21   7.936   1.975  -2.369
  168    HD1  PHE  21           1HD      PHE  21   4.284   1.226  -2.277
  169    HD2  PHE  21           2HD      PHE  21   8.055   0.448  -4.085
  170    HE1  PHE  21           1HE      PHE  21   3.180  -0.172  -3.970
  171    HE2  PHE  21           2HE      PHE  21   6.957  -0.954  -5.781
  172    HZ   PHE  21           HZ       PHE  21   4.516  -1.265  -5.726
  173    H    CYS  22           H        CYS  22   5.112  -0.491  -0.195
  174    HA   CYS  22           HA       CYS  22   3.509   1.424   1.372
  175   1HB   CYS  22          2HB       CYS  22   2.543  -0.680  -0.578
  176   2HB   CYS  22          1HB       CYS  22   1.490   0.198   0.525
  177    H    HIS  23           H        HIS  23   5.256   0.073   2.732
  178    HA   HIS  23           HA       HIS  23   4.633  -2.544   3.541
  179   1HB   HIS  23          2HB       HIS  23   6.117  -1.972   5.548
  180   2HB   HIS  23          1HB       HIS  23   6.846  -1.900   3.949
  181    HD1  HIS  23           1HD      HIS  23   7.280   0.528   2.970
  182    HD2  HIS  23           2HD      HIS  23   6.189   0.371   6.985
  183    HE1  HIS  23           1HE      HIS  23   7.805   2.805   3.907
  184    H    CYS  24           H        CYS  24   2.308  -1.727   3.622
  185    HA   CYS  24           HA       CYS  24   1.415  -0.738   6.207
  186   1HB   CYS  24          2HB       CYS  24   0.447  -0.201   3.873
  187   2HB   CYS  24          1HB       CYS  24  -0.293  -1.793   3.971
  188    H    ARG  25           H        ARG  25  -0.866  -2.113   6.574
  189    HA   ARG  25           HA       ARG  25  -0.072  -4.400   7.989
  190   1HB   ARG  25          2HB       ARG  25  -2.465  -4.879   8.251
  191   2HB   ARG  25          1HB       ARG  25  -2.122  -3.178   8.533
  192   1HG   ARG  25          2HG       ARG  25  -2.971  -2.602   6.346
  193   2HG   ARG  25          1HG       ARG  25  -3.212  -4.306   5.961
  194   1HD   ARG  25          2HD       ARG  25  -4.575  -2.868   8.234
  195   2HD   ARG  25          1HD       ARG  25  -5.289  -3.101   6.640
  196    HE   ARG  25           HE       ARG  25  -5.071  -5.036   8.741
  197   1HH1  ARG  25          1HH1      ARG  25  -5.367  -4.625   5.266
  198   2HH1  ARG  25          2HH1      ARG  25  -5.976  -6.229   5.005
  199   1HH2  ARG  25          1HH2      ARG  25  -5.874  -7.153   8.386
  200   2HH2  ARG  25          2HH2      ARG  25  -6.260  -7.664   6.777
  201   1HN   NH2  26          1H        ARG  25   0.019  -6.572   7.438
  202   2HN   NH2  26          2H        ARG  25  -0.853  -7.253   6.110
  Start of MODEL    2
    1   1H    PHE   1          1HT       PHE   1   2.421  12.735   5.175
    2   2H    PHE   1          2HT       PHE   1   3.283  14.149   5.525
    3   3H    PHE   1          3HT       PHE   1   3.554  12.746   6.432
    4    HA   PHE   1           HA       PHE   1   4.973  13.573   4.262
    5   1HB   PHE   1          2HB       PHE   1   5.960  11.230   4.466
    6   2HB   PHE   1          1HB       PHE   1   5.932  12.190   5.938
    7    HD1  PHE   1           1HD      PHE   1   3.977   9.569   4.137
    8    HD2  PHE   1           2HD      PHE   1   5.074  11.287   7.874
    9    HE1  PHE   1           1HE      PHE   1   2.819   7.747   5.312
   10    HE2  PHE   1           2HE      PHE   1   3.914   9.466   9.054
   11    HZ   PHE   1           HZ       PHE   1   2.786   7.693   7.772
   12    HA   PRO   2           HA       PRO   2   2.896  12.173   0.638
   13   1HB   PRO   2          2HB       PRO   2   5.009  11.727  -1.021
   14   2HB   PRO   2          1HB       PRO   2   4.436  13.343  -0.596
   15   1HG   PRO   2          2HG       PRO   2   6.732  11.789   0.533
   16   2HG   PRO   2          1HG       PRO   2   6.650  13.507   0.096
   17   1HD   PRO   2          2HD       PRO   2   6.433  12.651   2.651
   18   2HD   PRO   2          1HD       PRO   2   5.569  14.082   2.052
   19    H    ARG   3           H        ARG   3   2.116  10.301  -0.135
   20    HA   ARG   3           HA       ARG   3   3.711   7.881  -0.125
   21   1HB   ARG   3          2HB       ARG   3   1.311   8.282   1.637
   22   2HB   ARG   3          1HB       ARG   3   1.667   6.687   0.989
   23   1HG   ARG   3          2HG       ARG   3   3.516   8.352   2.687
   24   2HG   ARG   3          1HG       ARG   3   2.575   6.959   3.228
   25   1HD   ARG   3          2HD       ARG   3   3.847   5.461   1.967
   26   2HD   ARG   3          1HD       ARG   3   4.492   6.736   0.934
   27    HE   ARG   3           HE       ARG   3   5.321   7.182   3.581
   28   1HH1  ARG   3          1HH1      ARG   3   5.843   4.925   0.964
   29   2HH1  ARG   3          2HH1      ARG   3   7.495   4.619   1.380
   30   1HH2  ARG   3          1HH2      ARG   3   7.503   6.773   4.156
   31   2HH2  ARG   3          2HH2      ARG   3   8.444   5.672   3.208
   32    HA   PRO   4           HA       PRO   4   1.535   7.336  -3.918
   33   1HB   PRO   4          2HB       PRO   4   1.923   4.437  -3.473
   34   2HB   PRO   4          1HB       PRO   4   2.474   5.454  -4.808
   35   1HG   PRO   4          2HG       PRO   4   4.179   4.527  -2.965
   36   2HG   PRO   4          1HG       PRO   4   4.370   6.139  -3.679
   37   1HD   PRO   4          2HD       PRO   4   3.282   5.366  -1.003
   38   2HD   PRO   4          1HD       PRO   4   4.315   6.739  -1.446
   39    H    ARG   5           H        ARG   5  -0.514   6.931  -4.565
   40    HA   ARG   5           HA       ARG   5  -2.544   6.456  -2.697
   41   1HB   ARG   5          2HB       ARG   5  -2.778   7.665  -4.882
   42   2HB   ARG   5          1HB       ARG   5  -2.730   6.107  -5.695
   43   1HG   ARG   5          2HG       ARG   5  -4.782   5.431  -4.656
   44   2HG   ARG   5          1HG       ARG   5  -4.797   6.879  -3.645
   45   1HD   ARG   5          2HD       ARG   5  -4.975   8.268  -5.667
   46   2HD   ARG   5          1HD       ARG   5  -5.002   6.809  -6.656
   47    HE   ARG   5           HE       ARG   5  -7.180   7.953  -5.202
   48   1HH1  ARG   5          1HH1      ARG   5  -5.894   4.945  -6.453
   49   2HH1  ARG   5          2HH1      ARG   5  -7.429   4.145  -6.476
   50   1HH2  ARG   5          1HH2      ARG   5  -9.214   6.902  -5.229
   51   2HH2  ARG   5          2HH2      ARG   5  -9.324   5.262  -5.778
   52    H    ILE   6           H        ILE   6  -0.540   4.302  -4.401
   53    HA   ILE   6           HA       ILE   6  -2.151   2.005  -4.588
   54    HB   ILE   6           HB       ILE   6   0.818   2.051  -4.100
   55   1HG1  ILE   6          2HG1      ILE   6  -0.632   2.276  -6.750
   56   2HG1  ILE   6          1HG1      ILE   6   0.201   3.598  -5.942
   57   1HG2  ILE   6          1HG2      ILE   6  -0.098   0.088  -5.984
   58   2HG2  ILE   6          2HG2      ILE   6  -1.006  -0.049  -4.479
   59   3HG2  ILE   6          3HG2      ILE   6   0.755  -0.143  -4.458
   60   1HD1  ILE   6          1HD1      ILE   6   1.996   3.032  -7.109
   61   2HD1  ILE   6          2HD1      ILE   6   1.248   1.530  -7.652
   62   3HD1  ILE   6          3HD1      ILE   6   2.100   1.584  -6.110
   63    H    CYS   7           H        CYS   7  -0.319   3.415  -1.969
   64    HA   CYS   7           HA       CYS   7  -0.096   1.279  -0.217
   65   1HB   CYS   7          2HB       CYS   7  -0.537   4.217   0.323
   66   2HB   CYS   7          1HB       CYS   7  -0.206   3.050   1.591
   67    H    ASN   8           H        ASN   8  -2.853   3.224  -1.041
   68    HA   ASN   8           HA       ASN   8  -4.547   2.549   1.127
   69   1HB   ASN   8          2HB       ASN   8  -4.988   4.361  -0.558
   70   2HB   ASN   8          1HB       ASN   8  -5.393   3.113  -1.723
   71   1HD2  ASN   8          1HD2      ASN   8  -7.483   2.825  -1.948
   72   2HD2  ASN   8          2HD2      ASN   8  -8.676   2.994  -0.712
   73    H    LEU   9           H        LEU   9  -4.234   1.221  -2.114
   74    HA   LEU   9           HA       LEU   9  -6.036  -0.915  -1.838
   75   1HB   LEU   9          2HB       LEU   9  -5.352  -0.255  -4.026
   76   2HB   LEU   9          1HB       LEU   9  -3.659  -0.480  -3.633
   77    HG   LEU   9           HG       LEU   9  -4.077  -2.925  -3.444
   78   1HD1  LEU   9          1HD1      LEU   9  -6.589  -2.728  -4.963
   79   2HD1  LEU   9          2HD1      LEU   9  -6.697  -2.293  -3.258
   80   3HD1  LEU   9          3HD1      LEU   9  -6.094  -3.882  -3.726
   81   1HD2  LEU   9          1HD2      LEU   9  -4.777  -2.972  -6.071
   82   2HD2  LEU   9          2HD2      LEU   9  -3.152  -2.651  -5.468
   83   3HD2  LEU   9          3HD2      LEU   9  -4.217  -1.310  -5.885
   84    H    ALA  10           H        ALA  10  -2.585  -0.658  -1.336
   85    HA   ALA  10           HA       ALA  10  -1.962  -3.305  -0.781
   86   1HB   ALA  10          1HB       ALA  10   0.074  -2.466  -0.496
   87   2HB   ALA  10          2HB       ALA  10  -0.446  -1.533   0.907
   88   3HB   ALA  10          3HB       ALA  10  -0.619  -0.860  -0.712
   89    H    CYS  11           H        CYS  11  -2.971  -0.731   1.477
   90    HA   CYS  11           HA       CYS  11  -2.890  -2.373   3.788
   91   1HB   CYS  11          2HB       CYS  11  -4.602   0.080   3.286
   92   2HB   CYS  11          1HB       CYS  11  -4.296  -0.646   4.854
   93    H    ARG  12           H        ARG  12  -5.488  -1.502   1.544
   94    HA   ARG  12           HA       ARG  12  -7.615  -2.704   2.884
   95   1HB   ARG  12          2HB       ARG  12  -7.995  -1.171   1.063
   96   2HB   ARG  12          1HB       ARG  12  -7.191  -2.249  -0.069
   97   1HG   ARG  12          2HG       ARG  12  -9.602  -2.351  -0.330
   98   2HG   ARG  12          1HG       ARG  12  -8.967  -3.899   0.231
   99   1HD   ARG  12          2HD       ARG  12  -9.590  -3.246   2.549
  100   2HD   ARG  12          1HD       ARG  12 -10.340  -1.791   1.895
  101    HE   ARG  12           HE       ARG  12 -12.137  -3.045   1.278
  102   1HH1  ARG  12          1HH1      ARG  12  -9.457  -5.225   1.919
  103   2HH1  ARG  12          2HH1      ARG  12 -10.403  -6.655   1.656
  104   1HH2  ARG  12          1HH2      ARG  12 -13.376  -4.939   0.937
  105   2HH2  ARG  12          2HH2      ARG  12 -12.630  -6.493   1.098
  106    H    ALA  13           H        ALA  13  -5.434  -4.086   0.454
  107    HA   ALA  13           HA       ALA  13  -6.769  -6.657   0.666
  108   1HB   ALA  13          1HB       ALA  13  -4.272  -6.115  -0.906
  109   2HB   ALA  13          2HB       ALA  13  -5.868  -5.658  -1.500
  110   3HB   ALA  13          3HB       ALA  13  -5.498  -7.352  -1.178
  111    H    GLY  14           H        GLY  14  -4.614  -5.079   2.481
  112   1HA   GLY  14          2HA       GLY  14  -3.198  -5.709   4.178
  113   2HA   GLY  14          1HA       GLY  14  -3.822  -7.330   3.980
  114    H    ILE  15           H        ILE  15  -2.517  -5.877   1.228
  115    HA   ILE  15           HA       ILE  15  -0.265  -7.728   1.303
  116    HB   ILE  15           HB       ILE  15   0.088  -7.051  -1.076
  117   1HG1  ILE  15          2HG1      ILE  15  -2.493  -5.527  -0.638
  118   2HG1  ILE  15          1HG1      ILE  15  -0.916  -4.821  -0.971
  119   1HG2  ILE  15          1HG2      ILE  15  -2.453  -7.940  -1.622
  120   2HG2  ILE  15          2HG2      ILE  15  -2.183  -8.500   0.029
  121   3HG2  ILE  15          3HG2      ILE  15  -1.061  -8.957  -1.252
  122   1HD1  ILE  15          1HD1      ILE  15  -1.857  -6.769  -2.956
  123   2HD1  ILE  15          2HD1      ILE  15  -1.073  -5.206  -3.175
  124   3HD1  ILE  15          3HD1      ILE  15  -2.802  -5.284  -2.836
  125    H    GLY  16           H        GLY  16  -0.614  -5.195   2.830
  126   1HA   GLY  16          2HA       GLY  16   1.132  -3.206   1.900
  127   2HA   GLY  16          1HA       GLY  16   0.745  -3.502   3.590
  128    H    HIS  17           H        HIS  17   1.782  -6.022   3.952
  129    HA   HIS  17           HA       HIS  17   4.535  -5.437   4.286
  130   1HB   HIS  17          2HB       HIS  17   2.768  -7.741   4.872
  131   2HB   HIS  17          1HB       HIS  17   4.490  -8.084   4.735
  132    HD1  HIS  17           1HD      HIS  17   2.624  -5.196   6.413
  133    HD2  HIS  17           2HD      HIS  17   5.468  -8.122   7.244
  134    HE1  HIS  17           1HE      HIS  17   3.319  -4.810   8.797
  135    H    LYS  18           H        LYS  18   2.789  -6.657   1.651
  136    HA   LYS  18           HA       LYS  18   5.019  -8.101   0.513
  137   1HB   LYS  18          2HB       LYS  18   2.699  -8.864   0.126
  138   2HB   LYS  18          1HB       LYS  18   2.361  -7.365  -0.726
  139   1HG   LYS  18          2HG       LYS  18   2.732  -8.922  -2.417
  140   2HG   LYS  18          1HG       LYS  18   4.250  -8.033  -2.306
  141   1HD   LYS  18          2HD       LYS  18   3.761 -10.667  -0.920
  142   2HD   LYS  18          1HD       LYS  18   4.463 -10.536  -2.531
  143   1HE   LYS  18          2HE       LYS  18   5.599  -9.378   0.016
  144   2HE   LYS  18          1HE       LYS  18   6.198 -10.799  -0.838
  145   1HZ   LYS  18          1HZ       LYS  18   7.595  -9.147  -1.574
  146   2HZ   LYS  18          2HZ       LYS  18   6.388  -7.959  -1.599
  147   3HZ   LYS  18          3HZ       LYS  18   6.428  -9.154  -2.800
  148    H    TYR  19           H        TYR  19   3.397  -5.006   0.141
  149    HA   TYR  19           HA       TYR  19   5.156  -4.227  -2.058
  150   1HB   TYR  19          2HB       TYR  19   2.841  -2.875  -0.672
  151   2HB   TYR  19          1HB       TYR  19   3.838  -2.041  -1.856
  152    HD1  TYR  19           1HD      TYR  19   2.105  -1.645  -3.443
  153    HD2  TYR  19           2HD      TYR  19   2.901  -5.610  -2.126
  154    HE1  TYR  19           1HE      TYR  19   0.699  -2.524  -5.258
  155    HE2  TYR  19           2HE      TYR  19   1.497  -6.499  -3.937
  156    HH   TYR  19           HH       TYR  19   0.580  -4.782  -6.567
  157    HA   PRO  20           HA       PRO  20   8.168  -2.816   1.014
  158   1HB   PRO  20          2HB       PRO  20   9.357  -1.685  -1.468
  159   2HB   PRO  20          1HB       PRO  20  10.110  -2.660  -0.201
  160   1HG   PRO  20          2HG       PRO  20   9.511  -3.742  -2.553
  161   2HG   PRO  20          1HG       PRO  20   9.264  -4.651  -1.049
  162   1HD   PRO  20          2HD       PRO  20   7.257  -3.267  -2.780
  163   2HD   PRO  20          1HD       PRO  20   7.124  -4.809  -1.910
  164    H    PHE  21           H        PHE  21   7.146  -0.720  -1.681
  165    HA   PHE  21           HA       PHE  21   7.754   1.683  -0.295
  166   1HB   PHE  21          2HB       PHE  21   6.373   2.748  -2.162
  167   2HB   PHE  21          1HB       PHE  21   7.818   1.864  -2.629
  168    HD1  PHE  21           1HD      PHE  21   7.696   0.290  -4.301
  169    HD2  PHE  21           2HD      PHE  21   4.134   1.418  -2.266
  170    HE1  PHE  21           1HE      PHE  21   6.372  -1.037  -5.893
  171    HE2  PHE  21           2HE      PHE  21   2.804   0.089  -3.852
  172    HZ   PHE  21           HZ       PHE  21   3.922  -1.141  -5.668
  173    H    CYS  22           H        CYS  22   5.164  -0.469  -0.022
  174    HA   CYS  22           HA       CYS  22   3.710   1.495   1.601
  175   1HB   CYS  22          2HB       CYS  22   2.467  -0.321  -0.478
  176   2HB   CYS  22          1HB       CYS  22   1.547   0.525   0.758
  177    H    HIS  23           H        HIS  23   5.334  -0.083   2.827
  178    HA   HIS  23           HA       HIS  23   4.482  -2.707   3.407
  179   1HB   HIS  23          2HB       HIS  23   6.058  -2.465   5.418
  180   2HB   HIS  23          1HB       HIS  23   6.753  -2.357   3.808
  181    HD1  HIS  23           1HD      HIS  23   7.466   0.062   2.997
  182    HD2  HIS  23           2HD      HIS  23   6.420  -0.253   7.016
  183    HE1  HIS  23           1HE      HIS  23   8.291   2.175   4.082
  184    H    CYS  24           H        CYS  24   2.262  -1.621   3.613
  185    HA   CYS  24           HA       CYS  24   1.475  -0.670   6.207
  186   1HB   CYS  24          2HB       CYS  24   0.428  -0.133   3.946
  187   2HB   CYS  24          1HB       CYS  24  -0.278  -1.740   4.000
  188    H    ARG  25           H        ARG  25  -0.797  -1.925   6.738
  189    HA   ARG  25           HA       ARG  25   0.038  -4.321   8.046
  190   1HB   ARG  25          2HB       ARG  25  -2.612  -2.898   7.829
  191   2HB   ARG  25          1HB       ARG  25  -2.450  -4.432   8.668
  192   1HG   ARG  25          2HG       ARG  25  -2.378  -2.696  10.290
  193   2HG   ARG  25          1HG       ARG  25  -0.753  -3.365  10.151
  194   1HD   ARG  25          2HD       ARG  25  -0.651  -0.949  10.291
  195   2HD   ARG  25          1HD       ARG  25  -0.121  -1.484   8.700
  196    HE   ARG  25           HE       ARG  25  -1.815  -0.269   7.790
  197   1HH1  ARG  25          1HH1      ARG  25  -2.625  -0.875  11.146
  198   2HH1  ARG  25          2HH1      ARG  25  -4.073   0.073  11.102
  199   1HH2  ARG  25          1HH2      ARG  25  -3.721   0.988   7.729
  200   2HH2  ARG  25          2HH2      ARG  25  -4.698   1.137   9.152
  201   1HN   NH2  26          1H        ARG  25  -2.143  -6.027   7.857
  202   2HN   NH2  26          2H        ARG  25  -1.825  -6.864   6.380
  Start of MODEL    3
    1   1H    PHE   1          1HT       PHE   1   6.062  13.144   3.517
    2   2H    PHE   1          2HT       PHE   1   6.787  14.541   2.895
    3   3H    PHE   1          3HT       PHE   1   7.710  13.144   3.131
    4    HA   PHE   1           HA       PHE   1   6.549  13.892   0.804
    5   1HB   PHE   1          2HB       PHE   1   7.480  11.213   1.856
    6   2HB   PHE   1          1HB       PHE   1   7.050  11.464   0.169
    7    HD1  PHE   1           1HD      PHE   1   8.844  11.665  -1.215
    8    HD2  PHE   1           2HD      PHE   1   9.121  13.277   2.713
    9    HE1  PHE   1           1HE      PHE   1  11.134  12.423  -1.693
   10    HE2  PHE   1           2HE      PHE   1  11.413  14.041   2.241
   11    HZ   PHE   1           HZ       PHE   1  12.421  13.614   0.036
   12    HA   PRO   2           HA       PRO   2   2.295  12.688   0.986
   13   1HB   PRO   2          2HB       PRO   2   1.806  12.317  -1.672
   14   2HB   PRO   2          1HB       PRO   2   1.943  13.913  -0.925
   15   1HG   PRO   2          2HG       PRO   2   3.979  12.366  -2.477
   16   2HG   PRO   2          1HG       PRO   2   3.596  14.097  -2.544
   17   1HD   PRO   2          2HD       PRO   2   5.734  13.127  -1.196
   18   2HD   PRO   2          1HD       PRO   2   4.850  14.573  -0.669
   19    H    ARG   3           H        ARG   3   1.345  10.788   1.420
   20    HA   ARG   3           HA       ARG   3   2.696   8.346   0.997
   21   1HB   ARG   3          2HB       ARG   3   0.643   7.301   1.936
   22   2HB   ARG   3          1HB       ARG   3   1.297   8.590   2.934
   23   1HG   ARG   3          2HG       ARG   3  -0.412  10.119   1.923
   24   2HG   ARG   3          1HG       ARG   3  -1.130   8.697   1.162
   25   1HD   ARG   3          2HD       ARG   3  -0.716   9.049   4.130
   26   2HD   ARG   3          1HD       ARG   3  -2.238   9.325   3.285
   27    HE   ARG   3           HE       ARG   3  -1.094   6.797   4.031
   28   1HH1  ARG   3          1HH1      ARG   3  -3.331   8.403   1.868
   29   2HH1  ARG   3          2HH1      ARG   3  -4.211   6.953   1.497
   30   1HH2  ARG   3          1HH2      ARG   3  -2.269   4.884   3.539
   31   2HH2  ARG   3          2HH2      ARG   3  -3.610   4.967   2.440
   32    HA   PRO   4           HA       PRO   4   1.583   7.400  -3.165
   33   1HB   PRO   4          2HB       PRO   4   1.841   4.602  -2.191
   34   2HB   PRO   4          1HB       PRO   4   2.630   5.395  -3.559
   35   1HG   PRO   4          2HG       PRO   4   3.980   4.888  -1.322
   36   2HG   PRO   4          1HG       PRO   4   4.241   6.393  -2.223
   37   1HD   PRO   4          2HD       PRO   4   2.710   5.938   0.303
   38   2HD   PRO   4          1HD       PRO   4   3.727   7.313  -0.168
   39    H    ARG   5           H        ARG   5  -0.261   6.979  -4.214
   40    HA   ARG   5           HA       ARG   5  -2.664   6.573  -2.793
   41   1HB   ARG   5          2HB       ARG   5  -2.131   6.340  -5.759
   42   2HB   ARG   5          1HB       ARG   5  -3.722   6.451  -5.019
   43   1HG   ARG   5          2HG       ARG   5  -1.579   8.565  -4.893
   44   2HG   ARG   5          1HG       ARG   5  -2.994   8.589  -5.947
   45   1HD   ARG   5          2HD       ARG   5  -4.454   8.604  -3.978
   46   2HD   ARG   5          1HD       ARG   5  -3.037   8.587  -2.929
   47    HE   ARG   5           HE       ARG   5  -4.162  10.841  -4.284
   48   1HH1  ARG   5          1HH1      ARG   5  -1.209   9.539  -2.908
   49   2HH1  ARG   5          2HH1      ARG   5  -0.424  11.077  -2.812
   50   1HH2  ARG   5          1HH2      ARG   5  -3.127  12.876  -4.145
   51   2HH2  ARG   5          2HH2      ARG   5  -1.518  12.979  -3.515
   52    H    ILE   6           H        ILE   6  -0.476   4.418  -4.403
   53    HA   ILE   6           HA       ILE   6  -2.138   2.172  -4.707
   54    HB   ILE   6           HB       ILE   6   0.822   2.139  -4.157
   55   1HG1  ILE   6          2HG1      ILE   6  -0.577   2.421  -6.829
   56   2HG1  ILE   6          1HG1      ILE   6   0.239   3.730  -5.980
   57   1HG2  ILE   6          1HG2      ILE   6  -0.845   0.030  -4.355
   58   2HG2  ILE   6          2HG2      ILE   6   0.852  -0.014  -4.838
   59   3HG2  ILE   6          3HG2      ILE   6  -0.404   0.241  -6.049
   60   1HD1  ILE   6          1HD1      ILE   6   2.325   2.280  -6.092
   61   2HD1  ILE   6          2HD1      ILE   6   1.757   3.002  -7.599
   62   3HD1  ILE   6          3HD1      ILE   6   1.436   1.301  -7.261
   63    H    CYS   7           H        CYS   7  -0.252   3.373  -2.015
   64    HA   CYS   7           HA       CYS   7  -0.201   1.167  -0.348
   65   1HB   CYS   7          2HB       CYS   7  -0.438   4.100   0.312
   66   2HB   CYS   7          1HB       CYS   7  -0.184   2.859   1.525
   67    H    ASN   8           H        ASN   8  -2.827   3.308  -1.111
   68    HA   ASN   8           HA       ASN   8  -4.539   2.704   1.054
   69   1HB   ASN   8          2HB       ASN   8  -5.235   3.473  -1.789
   70   2HB   ASN   8          1HB       ASN   8  -6.390   3.410  -0.464
   71   1HD2  ASN   8          1HD2      ASN   8  -4.825   5.487  -2.262
   72   2HD2  ASN   8          2HD2      ASN   8  -4.538   6.766  -1.136
   73    H    LEU   9           H        LEU   9  -4.210   1.259  -2.144
   74    HA   LEU   9           HA       LEU   9  -6.182  -0.752  -1.785
   75   1HB   LEU   9          2HB       LEU   9  -3.845  -1.172  -3.590
   76   2HB   LEU   9          1HB       LEU   9  -5.538  -1.545  -3.861
   77    HG   LEU   9           HG       LEU   9  -4.380   1.237  -3.870
   78   1HD1  LEU   9          1HD1      LEU   9  -4.330  -0.826  -5.869
   79   2HD1  LEU   9          2HD1      LEU   9  -3.630   0.792  -5.911
   80   3HD1  LEU   9          3HD1      LEU   9  -5.298   0.539  -6.421
   81   1HD2  LEU   9          1HD2      LEU   9  -6.474   1.994  -4.584
   82   2HD2  LEU   9          2HD2      LEU   9  -6.856   0.844  -3.304
   83   3HD2  LEU   9          3HD2      LEU   9  -7.026   0.370  -4.993
   84    H    ALA  10           H        ALA  10  -2.748  -0.518  -1.344
   85    HA   ALA  10           HA       ALA  10  -2.087  -3.170  -0.835
   86   1HB   ALA  10          1HB       ALA  10  -0.468  -1.324  -1.165
   87   2HB   ALA  10          2HB       ALA  10  -0.093  -2.348   0.220
   88   3HB   ALA  10          3HB       ALA  10  -0.826  -0.763   0.468
   89    H    CYS  11           H        CYS  11  -3.104  -0.659   1.507
   90    HA   CYS  11           HA       CYS  11  -2.906  -2.346   3.779
   91   1HB   CYS  11          2HB       CYS  11  -4.900  -0.083   3.516
   92   2HB   CYS  11          1HB       CYS  11  -4.162  -0.701   4.982
   93    H    ARG  12           H        ARG  12  -5.611  -1.505   1.651
   94    HA   ARG  12           HA       ARG  12  -7.649  -2.839   2.989
   95   1HB   ARG  12          2HB       ARG  12  -8.072  -1.247   1.195
   96   2HB   ARG  12          1HB       ARG  12  -7.339  -2.338   0.028
   97   1HG   ARG  12          2HG       ARG  12  -9.113  -3.978   0.469
   98   2HG   ARG  12          1HG       ARG  12  -9.859  -2.845   1.596
   99   1HD   ARG  12          2HD       ARG  12 -10.943  -2.793  -0.602
  100   2HD   ARG  12          1HD       ARG  12 -10.202  -1.247  -0.198
  101    HE   ARG  12           HE       ARG  12  -8.952  -1.451  -2.077
  102   1HH1  ARG  12          1HH1      ARG  12  -9.841  -4.690  -1.073
  103   2HH1  ARG  12          2HH1      ARG  12  -9.075  -5.457  -2.423
  104   1HH2  ARG  12          1HH2      ARG  12  -7.947  -2.461  -3.865
  105   2HH2  ARG  12          2HH2      ARG  12  -7.997  -4.186  -4.017
  106    H    ALA  13           H        ALA  13  -5.454  -4.056   0.490
  107    HA   ALA  13           HA       ALA  13  -6.681  -6.686   0.636
  108   1HB   ALA  13          1HB       ALA  13  -4.504  -7.011  -0.966
  109   2HB   ALA  13          2HB       ALA  13  -4.876  -5.305  -1.210
  110   3HB   ALA  13          3HB       ALA  13  -6.106  -6.530  -1.527
  111    H    GLY  14           H        GLY  14  -4.628  -5.091   2.517
  112   1HA   GLY  14          2HA       GLY  14  -3.131  -5.685   4.150
  113   2HA   GLY  14          1HA       GLY  14  -3.723  -7.316   3.952
  114    H    ILE  15           H        ILE  15  -2.437  -5.782   1.210
  115    HA   ILE  15           HA       ILE  15  -0.219  -7.655   1.215
  116    HB   ILE  15           HB       ILE  15   0.201  -6.784  -1.111
  117   1HG1  ILE  15          2HG1      ILE  15  -2.428  -5.369  -0.606
  118   2HG1  ILE  15          1HG1      ILE  15  -0.869  -4.594  -0.863
  119   1HG2  ILE  15          1HG2      ILE  15  -2.052  -7.797  -1.967
  120   2HG2  ILE  15          2HG2      ILE  15  -2.299  -8.167  -0.260
  121   3HG2  ILE  15          3HG2      ILE  15  -0.890  -8.806  -1.105
  122   1HD1  ILE  15          1HD1      ILE  15  -0.812  -5.288  -3.131
  123   2HD1  ILE  15          2HD1      ILE  15  -2.405  -4.593  -2.829
  124   3HD1  ILE  15          3HD1      ILE  15  -2.206  -6.344  -2.905
  125    H    GLY  16           H        GLY  16  -0.493  -5.182   2.889
  126   1HA   GLY  16          2HA       GLY  16   1.398  -3.252   2.087
  127   2HA   GLY  16          1HA       GLY  16   0.933  -3.589   3.751
  128    H    HIS  17           H        HIS  17   1.786  -6.315   3.776
  129    HA   HIS  17           HA       HIS  17   4.521  -5.923   4.434
  130   1HB   HIS  17          2HB       HIS  17   2.895  -7.595   5.489
  131   2HB   HIS  17          1HB       HIS  17   3.177  -8.602   4.075
  132    HD1  HIS  17           1HD      HIS  17   4.003 -10.188   6.218
  133    HD2  HIS  17           2HD      HIS  17   6.488  -7.077   5.016
  134    HE1  HIS  17           1HE      HIS  17   6.270 -10.733   7.158
  135    H    LYS  18           H        LYS  18   2.859  -6.995   1.613
  136    HA   LYS  18           HA       LYS  18   5.187  -8.166   0.380
  137   1HB   LYS  18          2HB       LYS  18   3.020  -9.118  -0.115
  138   2HB   LYS  18          1HB       LYS  18   2.423  -7.566  -0.682
  139   1HG   LYS  18          2HG       LYS  18   2.920  -9.070  -2.533
  140   2HG   LYS  18          1HG       LYS  18   3.952  -7.641  -2.570
  141   1HD   LYS  18          2HD       LYS  18   5.276  -9.591  -3.080
  142   2HD   LYS  18          1HD       LYS  18   5.753  -8.965  -1.502
  143   1HE   LYS  18          2HE       LYS  18   4.369 -10.670  -0.415
  144   2HE   LYS  18          1HE       LYS  18   3.904 -11.297  -1.995
  145   1HZ   LYS  18          1HZ       LYS  18   6.650 -11.250  -0.865
  146   2HZ   LYS  18          2HZ       LYS  18   6.255 -11.782  -2.421
  147   3HZ   LYS  18          3HZ       LYS  18   5.674 -12.617  -1.070
  148    H    TYR  19           H        TYR  19   3.481  -5.096   0.266
  149    HA   TYR  19           HA       TYR  19   5.086  -4.178  -1.979
  150   1HB   TYR  19          2HB       TYR  19   2.819  -2.997  -0.407
  151   2HB   TYR  19          1HB       TYR  19   3.792  -1.985  -1.468
  152    HD1  TYR  19           1HD      TYR  19   2.839  -5.513  -2.121
  153    HD2  TYR  19           2HD      TYR  19   2.168  -1.424  -3.082
  154    HE1  TYR  19           1HE      TYR  19   1.463  -6.195  -4.041
  155    HE2  TYR  19           2HE      TYR  19   0.791  -2.096  -5.003
  156    HH   TYR  19           HH       TYR  19   0.842  -4.879  -6.421
  157    HA   PRO  20           HA       PRO  20   8.327  -2.846   0.829
  158   1HB   PRO  20          2HB       PRO  20   9.775  -1.616  -1.187
  159   2HB   PRO  20          1HB       PRO  20   9.910  -3.317  -0.733
  160   1HG   PRO  20          2HG       PRO  20   8.371  -2.064  -2.966
  161   2HG   PRO  20          1HG       PRO  20   9.289  -3.582  -2.945
  162   1HD   PRO  20          2HD       PRO  20   6.610  -3.556  -2.793
  163   2HD   PRO  20          1HD       PRO  20   7.579  -4.746  -1.899
  164    H    PHE  21           H        PHE  21   7.067  -0.714  -1.726
  165    HA   PHE  21           HA       PHE  21   7.696   1.644  -0.192
  166   1HB   PHE  21          2HB       PHE  21   6.549   2.813  -2.139
  167   2HB   PHE  21          1HB       PHE  21   8.001   1.897  -2.517
  168    HD1  PHE  21           1HD      PHE  21   4.294   1.398  -2.380
  169    HD2  PHE  21           2HD      PHE  21   7.962   0.552  -4.366
  170    HE1  PHE  21           1HE      PHE  21   3.067   0.152  -4.110
  171    HE2  PHE  21           2HE      PHE  21   6.740  -0.694  -6.099
  172    HZ   PHE  21           HZ       PHE  21   4.289  -0.894  -5.973
  173    H    CYS  22           H        CYS  22   5.383  -0.534   0.276
  174    HA   CYS  22           HA       CYS  22   3.606   1.427   1.487
  175   1HB   CYS  22          2HB       CYS  22   2.708  -0.549  -0.615
  176   2HB   CYS  22          1HB       CYS  22   1.596   0.122   0.571
  177    H    HIS  23           H        HIS  23   5.194   0.062   3.006
  178    HA   HIS  23           HA       HIS  23   4.270  -2.549   3.703
  179   1HB   HIS  23          2HB       HIS  23   6.255  -0.667   4.931
  180   2HB   HIS  23          1HB       HIS  23   5.745  -2.117   5.791
  181    HD1  HIS  23           1HD      HIS  23   5.624  -4.030   3.324
  182    HD2  HIS  23           2HD      HIS  23   8.778  -1.468   4.211
  183    HE1  HIS  23           1HE      HIS  23   7.655  -5.072   2.269
  184    H    CYS  24           H        CYS  24   2.089  -1.288   3.687
  185    HA   CYS  24           HA       CYS  24   1.292  -0.140   6.200
  186   1HB   CYS  24          2HB       CYS  24   0.396   0.487   3.935
  187   2HB   CYS  24          1HB       CYS  24  -0.405  -1.076   3.887
  188    H    ARG  25           H        ARG  25  -0.828  -1.052   7.149
  189    HA   ARG  25           HA       ARG  25  -1.123  -3.916   7.062
  190   1HB   ARG  25          2HB       ARG  25   0.762  -3.701   8.620
  191   2HB   ARG  25          1HB       ARG  25  -0.160  -2.569   9.598
  192   1HG   ARG  25          2HG       ARG  25  -0.139  -4.769  10.615
  193   2HG   ARG  25          1HG       ARG  25  -1.774  -4.331  10.119
  194   1HD   ARG  25          2HD       ARG  25  -1.450  -5.664   8.050
  195   2HD   ARG  25          1HD       ARG  25   0.121  -6.172   8.665
  196    HE   ARG  25           HE       ARG  25  -0.936  -7.690   9.990
  197   1HH1  ARG  25          1HH1      ARG  25  -3.308  -5.303   8.980
  198   2HH1  ARG  25          2HH1      ARG  25  -4.636  -6.132   9.725
  199   1HH2  ARG  25          1HH2      ARG  25  -2.697  -8.777  10.968
  200   2HH2  ARG  25          2HH2      ARG  25  -4.289  -8.106  10.856
  201   1HN   NH2  26          1H        ARG  25  -3.198  -0.955   7.540
  202   2HN   NH2  26          2H        ARG  25  -2.510  -0.969   9.125
  Start of MODEL    4
    1   1H    PHE   1          1HT       PHE   1   9.098  15.508  -3.264
    2   2H    PHE   1          2HT       PHE   1   9.847  14.491  -2.140
    3   3H    PHE   1          3HT       PHE   1   8.210  14.279  -2.515
    4    HA   PHE   1           HA       PHE   1   9.789  14.179  -4.857
    5   1HB   PHE   1          2HB       PHE   1  10.926  12.022  -4.304
    6   2HB   PHE   1          1HB       PHE   1  11.559  13.391  -3.400
    7    HD1  PHE   1           1HD      PHE   1   9.193  10.527  -3.106
    8    HD2  PHE   1           2HD      PHE   1  11.741  13.280  -1.096
    9    HE1  PHE   1           1HE      PHE   1   8.856   9.297  -1.003
   10    HE2  PHE   1           2HE      PHE   1  11.409  12.054   1.011
   11    HZ   PHE   1           HZ       PHE   1   9.965  10.060   1.058
   12    HA   PRO   2           HA       PRO   2   6.221  11.873  -6.015
   13   1HB   PRO   2          2HB       PRO   2   7.288   9.931  -7.647
   14   2HB   PRO   2          1HB       PRO   2   6.989  11.598  -8.150
   15   1HG   PRO   2          2HG       PRO   2   9.534  10.314  -7.251
   16   2HG   PRO   2          1HG       PRO   2   9.265  11.476  -8.564
   17   1HD   PRO   2          2HD       PRO   2  10.287  12.230  -6.198
   18   2HD   PRO   2          1HD       PRO   2   9.193  13.283  -7.119
   19    H    ARG   3           H        ARG   3   5.026  10.199  -5.256
   20    HA   ARG   3           HA       ARG   3   6.291   7.782  -4.279
   21   1HB   ARG   3          2HB       ARG   3   6.505   9.247  -2.347
   22   2HB   ARG   3          1HB       ARG   3   4.808   9.686  -2.453
   23   1HG   ARG   3          2HG       ARG   3   5.105   8.136  -0.658
   24   2HG   ARG   3          1HG       ARG   3   4.210   7.341  -1.952
   25   1HD   ARG   3          2HD       ARG   3   6.176   6.160  -2.665
   26   2HD   ARG   3          1HD       ARG   3   7.185   7.068  -1.539
   27    HE   ARG   3           HE       ARG   3   5.630   4.747  -0.962
   28   1HH1  ARG   3          1HH1      ARG   3   6.845   7.720   0.437
   29   2HH1  ARG   3          2HH1      ARG   3   6.739   7.149   2.067
   30   1HH2  ARG   3          1HH2      ARG   3   5.482   3.985   1.179
   31   2HH2  ARG   3          2HH2      ARG   3   5.961   5.015   2.494
   32    HA   PRO   4           HA       PRO   4   2.424   6.451  -6.109
   33   1HB   PRO   4          2HB       PRO   4   3.227   3.825  -5.026
   34   2HB   PRO   4          1HB       PRO   4   2.896   4.296  -6.696
   35   1HG   PRO   4          2HG       PRO   4   5.388   3.793  -5.844
   36   2HG   PRO   4          1HG       PRO   4   5.049   5.045  -7.053
   37   1HD   PRO   4          2HD       PRO   4   5.633   5.335  -4.134
   38   2HD   PRO   4          1HD       PRO   4   6.170   6.337  -5.496
   39    H    ARG   5           H        ARG   5   0.517   6.676  -5.131
   40    HA   ARG   5           HA       ARG   5   0.295   6.197  -2.276
   41   1HB   ARG   5          2HB       ARG   5  -1.722   7.317  -4.230
   42   2HB   ARG   5          1HB       ARG   5  -1.905   7.273  -2.482
   43   1HG   ARG   5          2HG       ARG   5   0.174   8.820  -4.017
   44   2HG   ARG   5          1HG       ARG   5  -1.250   9.482  -3.214
   45   1HD   ARG   5          2HD       ARG   5   1.003   8.023  -1.837
   46   2HD   ARG   5          1HD       ARG   5   0.819   9.774  -1.898
   47    HE   ARG   5           HE       ARG   5  -0.507   7.974  -0.141
   48   1HH1  ARG   5          1HH1      ARG   5  -0.921  10.995  -1.860
   49   2HH1  ARG   5          2HH1      ARG   5  -2.135  11.596  -0.783
   50   1HH2  ARG   5          1HH2      ARG   5  -2.107   8.767   1.297
   51   2HH2  ARG   5          2HH2      ARG   5  -2.811  10.324   1.022
   52    H    ILE   6           H        ILE   6   0.627   3.919  -3.971
   53    HA   ILE   6           HA       ILE   6  -1.848   2.554  -4.390
   54    HB   ILE   6           HB       ILE   6   0.810   1.233  -3.977
   55   1HG1  ILE   6          2HG1      ILE   6   1.166   3.085  -5.551
   56   2HG1  ILE   6          1HG1      ILE   6   1.278   1.535  -6.377
   57   1HG2  ILE   6          1HG2      ILE   6  -1.351  -0.082  -4.249
   58   2HG2  ILE   6          2HG2      ILE   6  -0.014  -0.515  -5.314
   59   3HG2  ILE   6          3HG2      ILE   6  -1.344   0.469  -5.924
   60   1HD1  ILE   6          1HD1      ILE   6   0.030   2.760  -7.854
   61   2HD1  ILE   6          2HD1      ILE   6  -0.811   3.644  -6.581
   62   3HD1  ILE   6          3HD1      ILE   6  -1.236   1.966  -6.916
   63    H    CYS   7           H        CYS   7  -0.053   3.316  -1.681
   64    HA   CYS   7           HA       CYS   7  -0.151   1.172   0.028
   65   1HB   CYS   7          2HB       CYS   7  -0.611   4.095   0.639
   66   2HB   CYS   7          1HB       CYS   7  -0.288   2.868   1.849
   67    H    ASN   8           H        ASN   8  -2.721   3.215  -1.051
   68    HA   ASN   8           HA       ASN   8  -4.662   2.660   0.920
   69   1HB   ASN   8          2HB       ASN   8  -6.285   3.511  -0.631
   70   2HB   ASN   8          1HB       ASN   8  -4.823   4.459  -0.814
   71   1HD2  ASN   8          1HD2      ASN   8  -7.233   3.482  -2.535
   72   2HD2  ASN   8          2HD2      ASN   8  -6.472   3.092  -4.035
   73    H    LEU   9           H        LEU   9  -4.098   1.203  -2.222
   74    HA   LEU   9           HA       LEU   9  -6.000  -0.880  -1.971
   75   1HB   LEU   9          2HB       LEU   9  -5.278  -0.284  -4.154
   76   2HB   LEU   9          1HB       LEU   9  -3.590  -0.482  -3.726
   77    HG   LEU   9           HG       LEU   9  -3.991  -2.931  -3.495
   78   1HD1  LEU   9          1HD1      LEU   9  -6.471  -2.765  -5.077
   79   2HD1  LEU   9          2HD1      LEU   9  -6.613  -2.332  -3.373
   80   3HD1  LEU   9          3HD1      LEU   9  -5.990  -3.917  -3.832
   81   1HD2  LEU   9          1HD2      LEU   9  -4.705  -1.825  -6.207
   82   2HD2  LEU   9          2HD2      LEU   9  -3.945  -3.377  -5.853
   83   3HD2  LEU   9          3HD2      LEU   9  -3.071  -1.877  -5.546
   84    H    ALA  10           H        ALA  10  -2.562  -0.653  -1.386
   85    HA   ALA  10           HA       ALA  10  -1.988  -3.306  -0.794
   86   1HB   ALA  10          1HB       ALA  10  -0.072  -2.098  -0.975
   87   2HB   ALA  10          2HB       ALA  10  -0.215  -2.119   0.783
   88   3HB   ALA  10          3HB       ALA  10  -0.738  -0.702  -0.128
   89    H    CYS  11           H        CYS  11  -2.996  -0.706   1.431
   90    HA   CYS  11           HA       CYS  11  -2.935  -2.313   3.760
   91   1HB   CYS  11          2HB       CYS  11  -4.606   0.154   3.180
   92   2HB   CYS  11          1HB       CYS  11  -4.393  -0.564   4.767
   93    H    ARG  12           H        ARG  12  -5.491  -1.583   1.422
   94    HA   ARG  12           HA       ARG  12  -7.629  -2.714   2.837
   95   1HB   ARG  12          2HB       ARG  12  -7.893  -1.218   0.884
   96   2HB   ARG  12          1HB       ARG  12  -7.309  -2.509  -0.161
   97   1HG   ARG  12          2HG       ARG  12  -9.218  -3.885   0.428
   98   2HG   ARG  12          1HG       ARG  12  -9.788  -2.647   1.545
   99   1HD   ARG  12          2HD       ARG  12 -11.049  -2.474  -0.483
  100   2HD   ARG  12          1HD       ARG  12  -9.975  -1.081  -0.373
  101    HE   ARG  12           HE       ARG  12  -8.656  -3.040  -1.852
  102   1HH1  ARG  12          1HH1      ARG  12 -11.508  -1.034  -2.115
  103   2HH1  ARG  12          2HH1      ARG  12 -11.483  -0.985  -3.846
  104   1HH2  ARG  12          1HH2      ARG  12  -8.613  -2.986  -4.152
  105   2HH2  ARG  12          2HH2      ARG  12  -9.831  -2.100  -5.009
  106    H    ALA  13           H        ALA  13  -5.490  -4.154   0.401
  107    HA   ALA  13           HA       ALA  13  -6.778  -6.732   0.735
  108   1HB   ALA  13          1HB       ALA  13  -5.831  -7.331  -1.222
  109   2HB   ALA  13          2HB       ALA  13  -4.288  -6.573  -0.828
  110   3HB   ALA  13          3HB       ALA  13  -5.631  -5.590  -1.413
  111    H    GLY  14           H        GLY  14  -4.694  -5.092   2.533
  112   1HA   GLY  14          2HA       GLY  14  -3.233  -5.642   4.215
  113   2HA   GLY  14          1HA       GLY  14  -3.835  -7.275   4.072
  114    H    ILE  15           H        ILE  15  -2.529  -5.854   1.290
  115    HA   ILE  15           HA       ILE  15  -0.292  -7.713   1.394
  116    HB   ILE  15           HB       ILE  15   0.096  -7.019  -0.986
  117   1HG1  ILE  15          2HG1      ILE  15  -2.508  -5.536  -0.556
  118   2HG1  ILE  15          1HG1      ILE  15  -0.942  -4.813  -0.903
  119   1HG2  ILE  15          1HG2      ILE  15  -2.449  -8.287  -0.060
  120   2HG2  ILE  15          2HG2      ILE  15  -1.023  -9.033  -0.780
  121   3HG2  ILE  15          3HG2      ILE  15  -2.126  -8.092  -1.784
  122   1HD1  ILE  15          1HD1      ILE  15  -2.456  -4.898  -2.851
  123   2HD1  ILE  15          2HD1      ILE  15  -2.410  -6.659  -2.769
  124   3HD1  ILE  15          3HD1      ILE  15  -0.935  -5.754  -3.107
  125    H    GLY  16           H        GLY  16  -0.569  -5.192   2.950
  126   1HA   GLY  16          2HA       GLY  16   1.218  -3.234   2.005
  127   2HA   GLY  16          1HA       GLY  16   0.840  -3.531   3.697
  128    H    HIS  17           H        HIS  17   1.804  -6.168   3.889
  129    HA   HIS  17           HA       HIS  17   4.545  -5.668   4.359
  130   1HB   HIS  17          2HB       HIS  17   2.940  -8.219   4.337
  131   2HB   HIS  17          1HB       HIS  17   4.662  -8.196   4.698
  132    HD1  HIS  17           1HD      HIS  17   3.205  -9.259   6.940
  133    HD2  HIS  17           2HD      HIS  17   3.472  -5.146   6.392
  134    HE1  HIS  17           1HE      HIS  17   2.750  -8.248   9.196
  135    H    LYS  18           H        LYS  18   2.801  -6.988   1.696
  136    HA   LYS  18           HA       LYS  18   5.024  -8.130   0.323
  137   1HB   LYS  18          2HB       LYS  18   2.809  -8.964  -0.116
  138   2HB   LYS  18          1HB       LYS  18   2.242  -7.364  -0.567
  139   1HG   LYS  18          2HG       LYS  18   3.934  -7.473  -2.463
  140   2HG   LYS  18          1HG       LYS  18   4.067  -9.193  -2.088
  141   1HD   LYS  18          2HD       LYS  18   1.736  -9.533  -2.530
  142   2HD   LYS  18          1HD       LYS  18   1.465  -7.797  -2.694
  143   1HE   LYS  18          2HE       LYS  18   3.058  -7.832  -4.633
  144   2HE   LYS  18          1HE       LYS  18   3.049  -9.593  -4.522
  145   1HZ   LYS  18          1HZ       LYS  18   0.954  -7.775  -5.438
  146   2HZ   LYS  18          2HZ       LYS  18   0.461  -9.171  -4.620
  147   3HZ   LYS  18          3HZ       LYS  18   1.394  -9.301  -6.024
  148    H    TYR  19           H        TYR  19   3.381  -5.003   0.230
  149    HA   TYR  19           HA       TYR  19   5.007  -4.137  -2.022
  150   1HB   TYR  19          2HB       TYR  19   2.780  -2.849  -0.461
  151   2HB   TYR  19          1HB       TYR  19   3.743  -1.930  -1.613
  152    HD1  TYR  19           1HD      TYR  19   2.107  -1.455  -3.254
  153    HD2  TYR  19           2HD      TYR  19   2.687  -5.467  -1.971
  154    HE1  TYR  19           1HE      TYR  19   0.683  -2.247  -5.097
  155    HE2  TYR  19           2HE      TYR  19   1.270  -6.267  -3.805
  156    HH   TYR  19           HH       TYR  19  -0.344  -4.015  -6.006
  157    HA   PRO  20           HA       PRO  20   8.302  -2.808   0.706
  158   1HB   PRO  20          2HB       PRO  20   9.239  -1.603  -1.840
  159   2HB   PRO  20          1HB       PRO  20  10.088  -2.673  -0.719
  160   1HG   PRO  20          2HG       PRO  20   9.189  -3.585  -3.056
  161   2HG   PRO  20          1HG       PRO  20   9.109  -4.584  -1.592
  162   1HD   PRO  20          2HD       PRO  20   6.936  -3.054  -2.968
  163   2HD   PRO  20          1HD       PRO  20   6.876  -4.653  -2.198
  164    H    PHE  21           H        PHE  21   7.006  -0.641  -1.807
  165    HA   PHE  21           HA       PHE  21   7.723   1.702  -0.317
  166   1HB   PHE  21          2HB       PHE  21   6.437   2.893  -2.144
  167   2HB   PHE  21          1HB       PHE  21   7.818   1.938  -2.666
  168    HD1  PHE  21           1HD      PHE  21   4.120   1.625  -2.217
  169    HD2  PHE  21           2HD      PHE  21   7.567   0.533  -4.459
  170    HE1  PHE  21           1HE      PHE  21   2.692   0.435  -3.826
  171    HE2  PHE  21           2HE      PHE  21   6.145  -0.658  -6.073
  172    HZ   PHE  21           HZ       PHE  21   3.701  -0.709  -5.758
  173    H    CYS  22           H        CYS  22   5.353  -0.463   0.239
  174    HA   CYS  22           HA       CYS  22   3.786   1.482   1.730
  175   1HB   CYS  22          2HB       CYS  22   2.603  -0.275  -0.428
  176   2HB   CYS  22          1HB       CYS  22   1.636   0.422   0.865
  177    H    HIS  23           H        HIS  23   5.325  -0.019   3.077
  178    HA   HIS  23           HA       HIS  23   4.488  -2.686   3.551
  179   1HB   HIS  23          2HB       HIS  23   6.404  -0.850   4.932
  180   2HB   HIS  23          1HB       HIS  23   5.936  -2.369   5.691
  181    HD1  HIS  23           1HD      HIS  23   5.908  -4.193   3.203
  182    HD2  HIS  23           2HD      HIS  23   8.917  -1.457   4.064
  183    HE1  HIS  23           1HE      HIS  23   7.960  -5.071   2.055
  184    H    CYS  24           H        CYS  24   2.241  -1.580   3.675
  185    HA   CYS  24           HA       CYS  24   1.359  -0.706   6.266
  186   1HB   CYS  24          2HB       CYS  24   0.378  -0.124   3.980
  187   2HB   CYS  24          1HB       CYS  24  -0.326  -1.735   3.991
  188    H    ARG  25           H        ARG  25  -0.929  -2.011   6.673
  189    HA   ARG  25           HA       ARG  25  -0.186  -4.321   8.092
  190   1HB   ARG  25          2HB       ARG  25  -2.961  -3.548   7.166
  191   2HB   ARG  25          1HB       ARG  25  -2.568  -4.640   8.485
  192   1HG   ARG  25          2HG       ARG  25  -1.578  -2.795   9.732
  193   2HG   ARG  25          1HG       ARG  25  -1.946  -1.695   8.402
  194   1HD   ARG  25          2HD       ARG  25  -3.943  -3.229  10.064
  195   2HD   ARG  25          1HD       ARG  25  -3.615  -1.501  10.161
  196    HE   ARG  25           HE       ARG  25  -5.323  -2.816   8.308
  197   1HH1  ARG  25          1HH1      ARG  25  -3.161  -0.075   8.624
  198   2HH1  ARG  25          2HH1      ARG  25  -3.903   0.825   7.345
  199   1HH2  ARG  25          1HH2      ARG  25  -6.313  -1.630   6.624
  200   2HH2  ARG  25          2HH2      ARG  25  -5.712  -0.057   6.213
  201   1HN   NH2  26          1H        ARG  25  -0.742  -6.551   7.686
  202   2HN   NH2  26          2H        ARG  25  -1.462  -7.084   6.207
  Start of MODEL    5
    1   1H    PHE   1          1HT       PHE   1  -2.340  13.358   7.569
    2   2H    PHE   1          2HT       PHE   1  -0.873  12.580   7.890
    3   3H    PHE   1          3HT       PHE   1  -2.179  11.702   7.268
    4    HA   PHE   1           HA       PHE   1  -1.535  13.910   5.609
    5   1HB   PHE   1          2HB       PHE   1   0.628  12.932   4.796
    6   2HB   PHE   1          1HB       PHE   1   0.719  13.615   6.412
    7    HD1  PHE   1           1HD      PHE   1   1.545  12.354   8.174
    8    HD2  PHE   1           2HD      PHE   1   0.337  10.385   4.599
    9    HE1  PHE   1           1HE      PHE   1   2.505  10.249   9.012
   10    HE2  PHE   1           2HE      PHE   1   1.289   8.277   5.434
   11    HZ   PHE   1           HZ       PHE   1   2.374   8.206   7.643
   12    HA   PRO   2           HA       PRO   2  -3.656  11.111   2.946
   13   1HB   PRO   2          2HB       PRO   2  -2.747  11.899   0.503
   14   2HB   PRO   2          1HB       PRO   2  -3.915  12.830   1.447
   15   1HG   PRO   2          2HG       PRO   2  -0.965  13.226   1.157
   16   2HG   PRO   2          1HG       PRO   2  -2.261  14.435   1.175
   17   1HD   PRO   2          2HD       PRO   2  -0.707  13.928   3.334
   18   2HD   PRO   2          1HD       PRO   2  -2.404  14.433   3.474
   19    H    ARG   3           H        ARG   3  -3.326   9.054   2.372
   20    HA   ARG   3           HA       ARG   3  -0.598   8.091   2.104
   21   1HB   ARG   3          2HB       ARG   3  -3.168   6.499   2.114
   22   2HB   ARG   3          1HB       ARG   3  -1.538   5.868   2.304
   23   1HG   ARG   3          2HG       ARG   3  -1.341   7.116   4.423
   24   2HG   ARG   3          1HG       ARG   3  -3.016   7.640   4.237
   25   1HD   ARG   3          2HD       ARG   3  -1.982   4.838   4.620
   26   2HD   ARG   3          1HD       ARG   3  -3.034   5.761   5.692
   27    HE   ARG   3           HE       ARG   3  -4.251   5.460   3.156
   28   1HH1  ARG   3          1HH1      ARG   3  -3.495   3.652   6.054
   29   2HH1  ARG   3          2HH1      ARG   3  -4.775   2.510   5.830
   30   1HH2  ARG   3          1HH2      ARG   3  -5.930   3.968   2.843
   31   2HH2  ARG   3          2HH2      ARG   3  -6.175   2.691   3.993
   32    HA   PRO   4           HA       PRO   4  -0.527   7.933  -2.315
   33   1HB   PRO   4          2HB       PRO   4   0.755   5.276  -1.909
   34   2HB   PRO   4          1HB       PRO   4   1.315   6.661  -2.852
   35   1HG   PRO   4          2HG       PRO   4   2.428   6.084  -0.506
   36   2HG   PRO   4          1HG       PRO   4   2.137   7.768  -0.983
   37   1HD   PRO   4          2HD       PRO   4   0.625   6.053   0.942
   38   2HD   PRO   4          1HD       PRO   4   0.999   7.787   1.025
   39    H    ARG   5           H        ARG   5  -1.852   7.158  -3.868
   40    HA   ARG   5           HA       ARG   5  -4.136   5.757  -3.305
   41   1HB   ARG   5          2HB       ARG   5  -4.403   5.435  -5.741
   42   2HB   ARG   5          1HB       ARG   5  -3.940   7.075  -5.314
   43   1HG   ARG   5          2HG       ARG   5  -1.641   6.612  -5.969
   44   2HG   ARG   5          1HG       ARG   5  -2.083   4.952  -6.367
   45   1HD   ARG   5          2HD       ARG   5  -3.221   7.423  -7.670
   46   2HD   ARG   5          1HD       ARG   5  -1.958   6.402  -8.355
   47    HE   ARG   5           HE       ARG   5  -4.180   4.799  -7.761
   48   1HH1  ARG   5          1HH1      ARG   5  -3.249   7.351  -9.968
   49   2HH1  ARG   5          2HH1      ARG   5  -4.328   6.842 -11.223
   50   1HH2  ARG   5          1HH2      ARG   5  -5.613   4.116  -9.420
   51   2HH2  ARG   5          2HH2      ARG   5  -5.677   4.996 -10.910
   52    H    ILE   6           H        ILE   6  -1.039   4.425  -4.321
   53    HA   ILE   6           HA       ILE   6  -2.040   1.791  -4.744
   54    HB   ILE   6           HB       ILE   6   0.808   2.637  -4.205
   55   1HG1  ILE   6          2HG1      ILE   6  -0.611   2.253  -6.852
   56   2HG1  ILE   6          1HG1      ILE   6  -0.200   3.811  -6.145
   57   1HG2  ILE   6          1HG2      ILE   6   1.469   0.560  -5.195
   58   2HG2  ILE   6          2HG2      ILE   6  -0.196   0.177  -5.628
   59   3HG2  ILE   6          3HG2      ILE   6   0.287   0.208  -3.934
   60   1HD1  ILE   6          1HD1      ILE   6   2.138   3.365  -6.372
   61   2HD1  ILE   6          2HD1      ILE   6   1.353   3.053  -7.921
   62   3HD1  ILE   6          3HD1      ILE   6   1.818   1.706  -6.881
   63    H    CYS   7           H        CYS   7  -0.405   3.399  -2.085
   64    HA   CYS   7           HA       CYS   7  -0.155   1.166  -0.407
   65   1HB   CYS   7          2HB       CYS   7  -0.397   4.109   0.210
   66   2HB   CYS   7          1HB       CYS   7  -0.058   2.889   1.427
   67    H    ASN   8           H        ASN   8  -2.819   3.257  -1.144
   68    HA   ASN   8           HA       ASN   8  -4.430   2.637   1.105
   69   1HB   ASN   8          2HB       ASN   8  -5.074   3.702  -1.631
   70   2HB   ASN   8          1HB       ASN   8  -6.354   3.309  -0.486
   71   1HD2  ASN   8          1HD2      ASN   8  -4.753   5.798  -1.657
   72   2HD2  ASN   8          2HD2      ASN   8  -4.690   6.843  -0.286
   73    H    LEU   9           H        LEU   9  -4.315   1.232  -2.164
   74    HA   LEU   9           HA       LEU   9  -6.283  -0.734  -1.558
   75   1HB   LEU   9          2HB       LEU   9  -5.628  -1.790  -3.677
   76   2HB   LEU   9          1HB       LEU   9  -5.955  -0.081  -3.856
   77    HG   LEU   9           HG       LEU   9  -3.304   0.059  -3.569
   78   1HD1  LEU   9          1HD1      LEU   9  -2.221  -1.782  -4.752
   79   2HD1  LEU   9          2HD1      LEU   9  -3.758  -2.642  -4.829
   80   3HD1  LEU   9          3HD1      LEU   9  -2.996  -2.339  -3.267
   81   1HD2  LEU   9          1HD2      LEU   9  -3.266  -0.244  -6.153
   82   2HD2  LEU   9          2HD2      LEU   9  -4.204   1.067  -5.435
   83   3HD2  LEU   9          3HD2      LEU   9  -5.014  -0.405  -5.971
   84    H    ALA  10           H        ALA  10  -2.842  -0.502  -1.271
   85    HA   ALA  10           HA       ALA  10  -2.202  -3.210  -0.908
   86   1HB   ALA  10          1HB       ALA  10  -0.458  -1.771   0.725
   87   2HB   ALA  10          2HB       ALA  10  -0.879  -0.668  -0.584
   88   3HB   ALA  10          3HB       ALA  10  -0.196  -2.252  -0.951
   89    H    CYS  11           H        CYS  11  -3.044  -0.680   1.478
   90    HA   CYS  11           HA       CYS  11  -2.851  -2.367   3.743
   91   1HB   CYS  11          2HB       CYS  11  -4.749  -0.025   3.474
   92   2HB   CYS  11          1HB       CYS  11  -4.090  -0.692   4.953
   93    H    ARG  12           H        ARG  12  -5.529  -1.542   1.597
   94    HA   ARG  12           HA       ARG  12  -7.601  -2.772   2.993
   95   1HB   ARG  12          2HB       ARG  12  -7.983  -1.221   1.156
   96   2HB   ARG  12          1HB       ARG  12  -7.293  -2.368   0.019
   97   1HG   ARG  12          2HG       ARG  12  -9.700  -2.382  -0.144
   98   2HG   ARG  12          1HG       ARG  12  -9.134  -3.926   0.492
   99   1HD   ARG  12          2HD       ARG  12 -10.047  -1.702   2.295
  100   2HD   ARG  12          1HD       ARG  12 -11.180  -2.857   1.600
  101    HE   ARG  12           HE       ARG  12  -9.141  -4.327   2.797
  102   1HH1  ARG  12          1HH1      ARG  12 -11.661  -2.101   3.778
  103   2HH1  ARG  12          2HH1      ARG  12 -11.839  -2.794   5.355
  104   1HH2  ARG  12          1HH2      ARG  12  -9.366  -5.245   4.868
  105   2HH2  ARG  12          2HH2      ARG  12 -10.527  -4.594   5.979
  106    H    ALA  13           H        ALA  13  -5.545  -4.129   0.427
  107    HA   ALA  13           HA       ALA  13  -6.816  -6.717   0.768
  108   1HB   ALA  13          1HB       ALA  13  -4.725  -7.102  -0.977
  109   2HB   ALA  13          2HB       ALA  13  -5.206  -5.432  -1.279
  110   3HB   ALA  13          3HB       ALA  13  -6.391  -6.730  -1.419
  111    H    GLY  14           H        GLY  14  -4.625  -5.168   2.506
  112   1HA   GLY  14          2HA       GLY  14  -3.107  -5.836   4.098
  113   2HA   GLY  14          1HA       GLY  14  -3.658  -7.468   3.813
  114    H    ILE  15           H        ILE  15  -2.409  -5.616   1.219
  115    HA   ILE  15           HA       ILE  15  -0.193  -7.478   0.948
  116    HB   ILE  15           HB       ILE  15  -0.751  -5.196  -0.932
  117   1HG1  ILE  15          2HG1      ILE  15  -2.873  -6.443  -0.594
  118   2HG1  ILE  15          1HG1      ILE  15  -2.242  -6.618  -2.227
  119   1HG2  ILE  15          1HG2      ILE  15   0.928  -7.581  -0.932
  120   2HG2  ILE  15          2HG2      ILE  15   1.071  -6.090  -1.865
  121   3HG2  ILE  15          3HG2      ILE  15  -0.009  -7.373  -2.413
  122   1HD1  ILE  15          1HD1      ILE  15  -2.938  -8.636  -0.367
  123   2HD1  ILE  15          2HD1      ILE  15  -1.204  -8.742  -0.670
  124   3HD1  ILE  15          3HD1      ILE  15  -2.340  -8.815  -2.016
  125    H    GLY  16           H        GLY  16  -0.526  -5.213   2.929
  126   1HA   GLY  16          2HA       GLY  16   1.402  -3.214   2.424
  127   2HA   GLY  16          1HA       GLY  16   0.827  -3.698   4.013
  128    H    HIS  17           H        HIS  17   1.713  -6.502   3.458
  129    HA   HIS  17           HA       HIS  17   4.417  -6.147   4.414
  130   1HB   HIS  17          2HB       HIS  17   2.686  -7.823   5.328
  131   2HB   HIS  17          1HB       HIS  17   3.059  -8.789   3.908
  132    HD1  HIS  17           1HD      HIS  17   6.029  -8.826   3.763
  133    HD2  HIS  17           2HD      HIS  17   4.007  -8.913   7.397
  134    HE1  HIS  17           1HE      HIS  17   7.628  -9.868   5.402
  135    H    LYS  18           H        LYS  18   2.845  -6.939   1.458
  136    HA   LYS  18           HA       LYS  18   5.239  -8.146   0.333
  137   1HB   LYS  18          2HB       LYS  18   3.095  -9.143  -0.231
  138   2HB   LYS  18          1HB       LYS  18   2.524  -7.613  -0.881
  139   1HG   LYS  18          2HG       LYS  18   3.159  -9.162  -2.651
  140   2HG   LYS  18          1HG       LYS  18   4.181  -7.725  -2.657
  141   1HD   LYS  18          2HD       LYS  18   5.898  -9.006  -1.398
  142   2HD   LYS  18          1HD       LYS  18   4.886 -10.444  -1.556
  143   1HE   LYS  18          2HE       LYS  18   5.054 -10.336  -3.969
  144   2HE   LYS  18          1HE       LYS  18   5.972  -8.834  -3.863
  145   1HZ   LYS  18          1HZ       LYS  18   7.269 -10.727  -2.283
  146   2HZ   LYS  18          2HZ       LYS  18   7.809 -10.035  -3.728
  147   3HZ   LYS  18          3HZ       LYS  18   6.923 -11.474  -3.761
  148    H    TYR  19           H        TYR  19   3.506  -5.118   0.248
  149    HA   TYR  19           HA       TYR  19   5.123  -4.119  -1.959
  150   1HB   TYR  19          2HB       TYR  19   2.822  -3.003  -0.378
  151   2HB   TYR  19          1HB       TYR  19   3.781  -1.971  -1.433
  152    HD1  TYR  19           1HD      TYR  19   1.454  -1.610  -2.466
  153    HD2  TYR  19           2HD      TYR  19   3.553  -5.303  -2.688
  154    HE1  TYR  19           1HE      TYR  19   0.078  -2.269  -4.391
  155    HE2  TYR  19           2HE      TYR  19   2.180  -5.974  -4.612
  156    HH   TYR  19           HH       TYR  19   0.711  -4.268  -6.508
  157    HA   PRO  20           HA       PRO  20   8.194  -2.796   1.085
  158   1HB   PRO  20          2HB       PRO  20   9.486  -1.750  -1.362
  159   2HB   PRO  20          1HB       PRO  20  10.128  -2.840  -0.131
  160   1HG   PRO  20          2HG       PRO  20   9.465  -3.735  -2.562
  161   2HG   PRO  20          1HG       PRO  20   9.188  -4.715  -1.109
  162   1HD   PRO  20          2HD       PRO  20   7.236  -3.108  -2.712
  163   2HD   PRO  20          1HD       PRO  20   7.036  -4.707  -1.964
  164    H    PHE  21           H        PHE  21   7.085  -0.858  -1.656
  165    HA   PHE  21           HA       PHE  21   7.712   1.636  -0.384
  166   1HB   PHE  21          2HB       PHE  21   6.416   2.574  -2.387
  167   2HB   PHE  21          1HB       PHE  21   7.900   1.694  -2.724
  168    HD1  PHE  21           1HD      PHE  21   7.874   0.144  -4.405
  169    HD2  PHE  21           2HD      PHE  21   4.227   1.061  -2.416
  170    HE1  PHE  21           1HE      PHE  21   6.659  -1.319  -5.965
  171    HE2  PHE  21           2HE      PHE  21   3.007  -0.403  -3.968
  172    HZ   PHE  21           HZ       PHE  21   4.223  -1.595  -5.746
  173    H    CYS  22           H        CYS  22   5.317  -0.548   0.160
  174    HA   CYS  22           HA       CYS  22   3.640   1.495   1.402
  175   1HB   CYS  22          2HB       CYS  22   2.623  -0.600  -0.528
  176   2HB   CYS  22          1HB       CYS  22   1.580   0.219   0.627
  177    H    HIS  23           H        HIS  23   5.282   0.243   2.883
  178    HA   HIS  23           HA       HIS  23   4.531  -2.346   3.786
  179   1HB   HIS  23          2HB       HIS  23   6.834  -1.265   3.963
  180   2HB   HIS  23          1HB       HIS  23   6.193  -0.353   5.327
  181    HD1  HIS  23           1HD      HIS  23   5.038  -2.085   7.227
  182    HD2  HIS  23           2HD      HIS  23   8.038  -3.543   4.747
  183    HE1  HIS  23           1HE      HIS  23   5.940  -4.125   8.390
  184    H    CYS  24           H        CYS  24   2.261  -1.278   3.797
  185    HA   CYS  24           HA       CYS  24   1.421   0.143   6.116
  186   1HB   CYS  24          2HB       CYS  24   0.319   0.004   3.804
  187   2HB   CYS  24          1HB       CYS  24  -0.321  -1.545   4.337
  188    H    ARG  25           H        ARG  25  -0.679  -0.973   7.156
  189    HA   ARG  25           HA       ARG  25  -0.247  -3.726   7.914
  190   1HB   ARG  25          2HB       ARG  25  -0.169  -3.161  10.368
  191   2HB   ARG  25          1HB       ARG  25   1.287  -2.752   9.470
  192   1HG   ARG  25          2HG       ARG  25   0.703  -0.435   9.444
  193   2HG   ARG  25          1HG       ARG  25  -0.885  -0.777  10.130
  194   1HD   ARG  25          2HD       ARG  25   1.744  -1.295  11.512
  195   2HD   ARG  25          1HD       ARG  25   0.726   0.118  11.782
  196    HE   ARG  25           HE       ARG  25   0.414  -2.435  12.950
  197   1HH1  ARG  25          1HH1      ARG  25  -1.485   0.203  11.636
  198   2HH1  ARG  25          2HH1      ARG  25  -2.886  -0.158  12.588
  199   1HH2  ARG  25          1HH2      ARG  25  -1.436  -2.910  14.215
  200   2HH2  ARG  25          2HH2      ARG  25  -2.856  -1.930  14.059
  201   1HN   NH2  26          1H        ARG  25  -3.629  -3.826   8.607
  202   2HN   NH2  26          2H        ARG  25  -2.128  -4.666   8.468
  Start of MODEL    6
    1   1H    PHE   1          1HT       PHE   1   8.509  12.117   2.031
    2   2H    PHE   1          2HT       PHE   1   9.487  13.132   1.097
    3   3H    PHE   1          3HT       PHE   1  10.168  11.810   1.902
    4    HA   PHE   1           HA       PHE   1   9.429  11.802  -0.676
    5   1HB   PHE   1          2HB       PHE   1  10.903  10.204   0.449
    6   2HB   PHE   1          1HB       PHE   1   9.537   9.523   1.323
    7    HD1  PHE   1           1HD      PHE   1   8.700   7.543   0.557
    8    HD2  PHE   1           2HD      PHE   1  10.552  10.187  -2.216
    9    HE1  PHE   1           1HE      PHE   1   8.384   5.883  -1.230
   10    HE2  PHE   1           2HE      PHE   1  10.236   8.533  -4.009
   11    HZ   PHE   1           HZ       PHE   1   9.149   6.377  -3.517
   12    HA   PRO   2           HA       PRO   2   4.958  11.649  -0.620
   13   1HB   PRO   2          2HB       PRO   2   4.643  11.103  -3.285
   14   2HB   PRO   2          1HB       PRO   2   4.951  12.719  -2.643
   15   1HG   PRO   2          2HG       PRO   2   6.859  10.771  -3.868
   16   2HG   PRO   2          1HG       PRO   2   6.754  12.527  -4.088
   17   1HD   PRO   2          2HD       PRO   2   8.595  11.391  -2.478
   18   2HD   PRO   2          1HD       PRO   2   7.866  12.968  -2.114
   19    H    ARG   3           H        ARG   3   3.599  10.011  -0.194
   20    HA   ARG   3           HA       ARG   3   4.530   7.301  -0.628
   21   1HB   ARG   3          2HB       ARG   3   2.117   8.339   0.869
   22   2HB   ARG   3          1HB       ARG   3   2.631   6.658   0.813
   23   1HG   ARG   3          2HG       ARG   3   4.143   8.964   2.024
   24   2HG   ARG   3          1HG       ARG   3   3.333   7.656   2.887
   25   1HD   ARG   3          2HD       ARG   3   5.721   7.407   1.060
   26   2HD   ARG   3          1HD       ARG   3   5.721   7.249   2.815
   27    HE   ARG   3           HE       ARG   3   5.116   5.224   0.930
   28   1HH1  ARG   3          1HH1      ARG   3   4.178   6.388   4.098
   29   2HH1  ARG   3          2HH1      ARG   3   3.568   4.855   4.622
   30   1HH2  ARG   3          1HH2      ARG   3   4.321   3.209   1.603
   31   2HH2  ARG   3          2HH2      ARG   3   3.646   3.039   3.196
   32    HA   PRO   4           HA       PRO   4   2.204   6.751  -4.343
   33   1HB   PRO   4          2HB       PRO   4   2.232   3.897  -3.556
   34   2HB   PRO   4          1HB       PRO   4   2.833   4.665  -5.028
   35   1HG   PRO   4          2HG       PRO   4   4.506   3.751  -3.148
   36   2HG   PRO   4          1HG       PRO   4   4.859   5.225  -4.070
   37   1HD   PRO   4          2HD       PRO   4   3.859   4.937  -1.270
   38   2HD   PRO   4          1HD       PRO   4   5.000   6.113  -1.949
   39    H    ARG   5           H        ARG   5   0.091   6.691  -4.827
   40    HA   ARG   5           HA       ARG   5  -1.884   6.548  -2.836
   41   1HB   ARG   5          2HB       ARG   5  -3.510   6.595  -4.699
   42   2HB   ARG   5          1HB       ARG   5  -2.259   7.818  -4.866
   43   1HG   ARG   5          2HG       ARG   5  -1.128   6.496  -6.536
   44   2HG   ARG   5          1HG       ARG   5  -2.274   5.174  -6.308
   45   1HD   ARG   5          2HD       ARG   5  -4.095   6.634  -7.067
   46   2HD   ARG   5          1HD       ARG   5  -2.938   7.943  -7.311
   47    HE   ARG   5           HE       ARG   5  -3.431   5.715  -9.046
   48   1HH1  ARG   5          1HH1      ARG   5  -1.067   8.123  -8.104
   49   2HH1  ARG   5          2HH1      ARG   5  -0.142   7.973  -9.560
   50   1HH2  ARG   5          1HH2      ARG   5  -2.210   5.513 -10.973
   51   2HH2  ARG   5          2HH2      ARG   5  -0.794   6.486 -11.195
   52    H    ILE   6           H        ILE   6  -0.328   4.121  -4.644
   53    HA   ILE   6           HA       ILE   6  -2.229   2.075  -4.758
   54    HB   ILE   6           HB       ILE   6   0.726   1.728  -4.312
   55   1HG1  ILE   6          2HG1      ILE   6   0.330   3.292  -6.174
   56   2HG1  ILE   6          1HG1      ILE   6   0.993   1.767  -6.750
   57   1HG2  ILE   6          1HG2      ILE   6  -0.754  -0.094  -6.088
   58   2HG2  ILE   6          2HG2      ILE   6  -1.167  -0.190  -4.375
   59   3HG2  ILE   6          3HG2      ILE   6   0.500  -0.438  -4.895
   60   1HD1  ILE   6          1HD1      ILE   6  -0.922   2.858  -8.059
   61   2HD1  ILE   6          2HD1      ILE   6  -1.957   2.259  -6.762
   62   3HD1  ILE   6          3HD1      ILE   6  -1.009   1.128  -7.729
   63    H    CYS   7           H        CYS   7  -0.224   3.248  -2.158
   64    HA   CYS   7           HA       CYS   7  -0.207   1.137  -0.376
   65   1HB   CYS   7          2HB       CYS   7  -0.436   4.104   0.142
   66   2HB   CYS   7          1HB       CYS   7  -0.155   2.918   1.407
   67    H    ASN   8           H        ASN   8  -2.788   3.279  -1.237
   68    HA   ASN   8           HA       ASN   8  -4.556   2.869   0.906
   69   1HB   ASN   8          2HB       ASN   8  -4.718   3.915  -1.807
   70   2HB   ASN   8          1HB       ASN   8  -6.180   3.050  -1.349
   71   1HD2  ASN   8          1HD2      ASN   8  -4.666   5.969  -1.313
   72   2HD2  ASN   8          2HD2      ASN   8  -5.570   6.745  -0.062
   73    H    LEU   9           H        LEU   9  -4.272   1.167  -2.175
   74    HA   LEU   9           HA       LEU   9  -6.236  -0.805  -1.593
   75   1HB   LEU   9          2HB       LEU   9  -4.021  -1.344  -3.509
   76   2HB   LEU   9          1HB       LEU   9  -5.735  -1.682  -3.667
   77    HG   LEU   9           HG       LEU   9  -4.528   1.074  -3.849
   78   1HD1  LEU   9          1HD1      LEU   9  -4.184   0.813  -6.046
   79   2HD1  LEU   9          2HD1      LEU   9  -5.662  -0.123  -6.267
   80   3HD1  LEU   9          3HD1      LEU   9  -4.195  -0.914  -5.690
   81   1HD2  LEU   9          1HD2      LEU   9  -6.874   1.031  -3.146
   82   2HD2  LEU   9          2HD2      LEU   9  -7.279   0.047  -4.553
   83   3HD2  LEU   9          3HD2      LEU   9  -6.701   1.699  -4.770
   84    H    ALA  10           H        ALA  10  -2.780  -0.568  -1.339
   85    HA   ALA  10           HA       ALA  10  -2.083  -3.186  -0.791
   86   1HB   ALA  10          1HB       ALA  10  -0.879  -0.576   0.030
   87   2HB   ALA  10          2HB       ALA  10  -0.298  -1.755  -1.147
   88   3HB   ALA  10          3HB       ALA  10  -0.190  -2.104   0.579
   89    H    CYS  11           H        CYS  11  -3.074  -0.677   1.553
   90    HA   CYS  11           HA       CYS  11  -2.781  -2.364   3.816
   91   1HB   CYS  11          2HB       CYS  11  -4.691  -0.029   3.579
   92   2HB   CYS  11          1HB       CYS  11  -4.035  -0.709   5.056
   93    H    ARG  12           H        ARG  12  -5.570  -1.528   1.807
   94    HA   ARG  12           HA       ARG  12  -7.522  -2.886   3.281
   95   1HB   ARG  12          2HB       ARG  12  -7.499  -2.339   0.312
   96   2HB   ARG  12          1HB       ARG  12  -8.917  -2.684   1.296
   97   1HG   ARG  12          2HG       ARG  12  -8.661  -0.632   2.500
   98   2HG   ARG  12          1HG       ARG  12  -7.114  -0.313   1.717
   99   1HD   ARG  12          2HD       ARG  12  -8.428  -0.363  -0.478
  100   2HD   ARG  12          1HD       ARG  12  -9.871  -0.240   0.529
  101    HE   ARG  12           HE       ARG  12  -8.030   1.763   1.268
  102   1HH1  ARG  12          1HH1      ARG  12 -10.221   0.932  -1.329
  103   2HH1  ARG  12          2HH1      ARG  12 -10.445   2.572  -1.841
  104   1HH2  ARG  12          1HH2      ARG  12  -8.305   3.933   0.594
  105   2HH2  ARG  12          2HH2      ARG  12  -9.362   4.283  -0.737
  106    H    ALA  13           H        ALA  13  -5.550  -3.988   0.547
  107    HA   ALA  13           HA       ALA  13  -6.765  -6.617   0.649
  108   1HB   ALA  13          1HB       ALA  13  -4.540  -5.513  -1.054
  109   2HB   ALA  13          2HB       ALA  13  -6.220  -5.756  -1.527
  110   3HB   ALA  13          3HB       ALA  13  -5.188  -7.147  -1.196
  111    H    GLY  14           H        GLY  14  -4.633  -5.138   2.531
  112   1HA   GLY  14          2HA       GLY  14  -3.086  -5.825   4.080
  113   2HA   GLY  14          1HA       GLY  14  -3.694  -7.440   3.812
  114    H    ILE  15           H        ILE  15  -2.485  -5.791   1.099
  115    HA   ILE  15           HA       ILE  15  -0.249  -7.654   1.000
  116    HB   ILE  15           HB       ILE  15   0.103  -6.806  -1.320
  117   1HG1  ILE  15          2HG1      ILE  15  -2.461  -5.292  -0.780
  118   2HG1  ILE  15          1HG1      ILE  15  -0.874  -4.573  -1.031
  119   1HG2  ILE  15          1HG2      ILE  15  -2.223  -7.708  -2.128
  120   2HG2  ILE  15          2HG2      ILE  15  -2.423  -8.099  -0.419
  121   3HG2  ILE  15          3HG2      ILE  15  -1.070  -8.774  -1.327
  122   1HD1  ILE  15          1HD1      ILE  15  -1.017  -5.900  -3.301
  123   2HD1  ILE  15          2HD1      ILE  15  -1.764  -4.316  -3.107
  124   3HD1  ILE  15          3HD1      ILE  15  -2.747  -5.774  -2.990
  125    H    GLY  16           H        GLY  16  -0.608  -5.151   2.643
  126   1HA   GLY  16          2HA       GLY  16   1.322  -3.243   1.849
  127   2HA   GLY  16          1HA       GLY  16   0.743  -3.492   3.492
  128    H    HIS  17           H        HIS  17   1.550  -6.258   3.595
  129    HA   HIS  17           HA       HIS  17   4.185  -5.913   4.554
  130   1HB   HIS  17          2HB       HIS  17   2.776  -8.511   3.921
  131   2HB   HIS  17          1HB       HIS  17   4.186  -8.319   4.953
  132    HD1  HIS  17           1HD      HIS  17   3.566  -6.470   7.058
  133    HD2  HIS  17           2HD      HIS  17   0.546  -8.782   5.382
  134    HE1  HIS  17           1HE      HIS  17   1.726  -6.519   8.769
  135    H    LYS  18           H        LYS  18   2.856  -7.156   1.591
  136    HA   LYS  18           HA       LYS  18   5.354  -8.128   0.585
  137   1HB   LYS  18          2HB       LYS  18   3.176  -9.138  -0.018
  138   2HB   LYS  18          1HB       LYS  18   2.752  -7.664  -0.877
  139   1HG   LYS  18          2HG       LYS  18   4.639  -8.017  -2.400
  140   2HG   LYS  18          1HG       LYS  18   5.040  -9.505  -1.544
  141   1HD   LYS  18          2HD       LYS  18   3.791 -10.022  -3.556
  142   2HD   LYS  18          1HD       LYS  18   2.822 -10.411  -2.133
  143   1HE   LYS  18          2HE       LYS  18   1.546  -8.388  -2.387
  144   2HE   LYS  18          1HE       LYS  18   2.589  -7.847  -3.699
  145   1HZ   LYS  18          1HZ       LYS  18   1.833 -10.041  -4.804
  146   2HZ   LYS  18          2HZ       LYS  18   0.792  -8.705  -4.816
  147   3HZ   LYS  18          3HZ       LYS  18   0.544  -9.961  -3.709
  148    H    TYR  19           H        TYR  19   3.535  -5.139   0.298
  149    HA   TYR  19           HA       TYR  19   5.226  -4.215  -1.884
  150   1HB   TYR  19          2HB       TYR  19   2.875  -3.028  -0.435
  151   2HB   TYR  19          1HB       TYR  19   3.858  -2.056  -1.523
  152    HD1  TYR  19           1HD      TYR  19   2.203  -1.613  -3.169
  153    HD2  TYR  19           2HD      TYR  19   3.047  -5.628  -2.047
  154    HE1  TYR  19           1HE      TYR  19   0.895  -2.422  -5.089
  155    HE2  TYR  19           2HE      TYR  19   1.743  -6.444  -3.958
  156    HH   TYR  19           HH       TYR  19   0.213  -4.201  -6.241
  157    HA   PRO  20           HA       PRO  20   8.267  -2.731   1.090
  158   1HB   PRO  20          2HB       PRO  20   9.826  -1.539  -0.864
  159   2HB   PRO  20          1HB       PRO  20   9.962  -3.221  -0.343
  160   1HG   PRO  20          2HG       PRO  20   8.559  -2.079  -2.719
  161   2HG   PRO  20          1HG       PRO  20   9.502  -3.576  -2.581
  162   1HD   PRO  20          2HD       PRO  20   6.817  -3.597  -2.617
  163   2HD   PRO  20          1HD       PRO  20   7.744  -4.740  -1.621
  164    H    PHE  21           H        PHE  21   7.182  -0.707  -1.636
  165    HA   PHE  21           HA       PHE  21   7.693   1.727  -0.224
  166   1HB   PHE  21          2HB       PHE  21   6.443   2.755  -2.195
  167   2HB   PHE  21          1HB       PHE  21   7.924   1.884  -2.559
  168    HD1  PHE  21           1HD      PHE  21   4.238   1.316  -2.374
  169    HD2  PHE  21           2HD      PHE  21   7.922   0.371  -4.280
  170    HE1  PHE  21           1HE      PHE  21   3.031  -0.062  -4.014
  171    HE2  PHE  21           2HE      PHE  21   6.721  -1.009  -5.924
  172    HZ   PHE  21           HZ       PHE  21   4.272  -1.227  -5.794
  173    H    CYS  22           H        CYS  22   5.280  -0.521   0.079
  174    HA   CYS  22           HA       CYS  22   3.562   1.431   1.426
  175   1HB   CYS  22          2HB       CYS  22   2.630  -0.581  -0.632
  176   2HB   CYS  22          1HB       CYS  22   1.544   0.172   0.529
  177    H    HIS  23           H        HIS  23   5.286   0.030   2.777
  178    HA   HIS  23           HA       HIS  23   4.520  -2.594   3.513
  179   1HB   HIS  23          2HB       HIS  23   6.799  -1.275   3.770
  180   2HB   HIS  23          1HB       HIS  23   6.136  -0.895   5.357
  181    HD1  HIS  23           1HD      HIS  23   6.316  -4.106   3.307
  182    HD2  HIS  23           2HD      HIS  23   7.117  -2.674   7.129
  183    HE1  HIS  23           1HE      HIS  23   7.171  -6.084   4.599
  184    H    CYS  24           H        CYS  24   2.263  -1.450   3.639
  185    HA   CYS  24           HA       CYS  24   1.511  -0.354   6.179
  186   1HB   CYS  24          2HB       CYS  24   0.495   0.102   3.885
  187   2HB   CYS  24          1HB       CYS  24  -0.286  -1.465   4.034
  188    H    ARG  25           H        ARG  25  -0.599  -1.395   7.126
  189    HA   ARG  25           HA       ARG  25   0.184  -3.924   8.217
  190   1HB   ARG  25          2HB       ARG  25  -1.013  -2.188   9.532
  191   2HB   ARG  25          1HB       ARG  25  -2.434  -2.439   8.528
  192   1HG   ARG  25          2HG       ARG  25  -2.597  -4.742   9.315
  193   2HG   ARG  25          1HG       ARG  25  -1.153  -4.508  10.305
  194   1HD   ARG  25          2HD       ARG  25  -3.748  -2.989  10.585
  195   2HD   ARG  25          1HD       ARG  25  -3.217  -4.312  11.622
  196    HE   ARG  25           HE       ARG  25  -2.426  -1.581  11.783
  197   1HH1  ARG  25          1HH1      ARG  25  -1.318  -4.852  12.375
  198   2HH1  ARG  25          2HH1      ARG  25  -0.107  -4.374  13.519
  199   1HH2  ARG  25          1HH2      ARG  25  -0.836  -0.945  13.299
  200   2HH2  ARG  25          2HH2      ARG  25   0.165  -2.143  14.048
  201   1HN   NH2  26          1H        ARG  25  -3.095  -4.379   5.804
  202   2HN   NH2  26          2H        ARG  25  -2.254  -2.871   5.870
  Start of MODEL    7
    1   1H    PHE   1          1HT       PHE   1   0.958  12.302   6.089
    2   2H    PHE   1          2HT       PHE   1   0.155  12.215   4.603
    3   3H    PHE   1          3HT       PHE   1   0.863  13.669   5.096
    4    HA   PHE   1           HA       PHE   1   2.905  13.079   4.447
    5   1HB   PHE   1          2HB       PHE   1   3.053  11.403   6.232
    6   2HB   PHE   1          1HB       PHE   1   2.126  10.263   5.265
    7    HD1  PHE   1           1HD      PHE   1   3.346   8.569   4.348
    8    HD2  PHE   1           2HD      PHE   1   5.171  12.386   4.797
    9    HE1  PHE   1           1HE      PHE   1   5.431   7.679   3.394
   10    HE2  PHE   1           2HE      PHE   1   7.259  11.504   3.839
   11    HZ   PHE   1           HZ       PHE   1   7.390   9.148   3.137
   12    HA   PRO   2           HA       PRO   2   1.429  12.097   0.335
   13   1HB   PRO   2          2HB       PRO   2   3.635  12.875  -1.021
   14   2HB   PRO   2          1HB       PRO   2   2.494  14.035  -0.327
   15   1HG   PRO   2          2HG       PRO   2   5.137  13.110   0.725
   16   2HG   PRO   2          1HG       PRO   2   4.451  14.744   0.703
   17   1HD   PRO   2          2HD       PRO   2   4.440  13.137   2.909
   18   2HD   PRO   2          1HD       PRO   2   3.217  14.385   2.602
   19    H    ARG   3           H        ARG   3   1.486  10.238  -0.791
   20    HA   ARG   3           HA       ARG   3   3.824   8.770  -1.361
   21   1HB   ARG   3          2HB       ARG   3   3.462   6.784  -0.013
   22   2HB   ARG   3          1HB       ARG   3   3.648   8.182   1.032
   23   1HG   ARG   3          2HG       ARG   3   1.180   8.268   1.267
   24   2HG   ARG   3          1HG       ARG   3   1.083   6.773   0.331
   25   1HD   ARG   3          2HD       ARG   3   2.428   7.188   2.996
   26   2HD   ARG   3          1HD       ARG   3   1.010   6.196   2.653
   27    HE   ARG   3           HE       ARG   3   3.042   5.204   1.067
   28   1HH1  ARG   3          1HH1      ARG   3   2.432   5.590   4.488
   29   2HH1  ARG   3          2HH1      ARG   3   3.421   4.249   4.952
   30   1HH2  ARG   3          1HH2      ARG   3   4.355   3.427   1.657
   31   2HH2  ARG   3          2HH2      ARG   3   4.521   3.015   3.334
   32    HA   PRO   4           HA       PRO   4   1.487   7.054  -4.636
   33   1HB   PRO   4          2HB       PRO   4   1.828   4.293  -4.150
   34   2HB   PRO   4          1HB       PRO   4   2.821   5.321  -5.184
   35   1HG   PRO   4          2HG       PRO   4   3.279   4.446  -2.379
   36   2HG   PRO   4          1HG       PRO   4   4.455   4.756  -3.670
   37   1HD   PRO   4          2HD       PRO   4   4.124   6.488  -1.665
   38   2HD   PRO   4          1HD       PRO   4   4.412   7.056  -3.324
   39    H    ARG   5           H        ARG   5  -0.567   6.678  -5.007
   40    HA   ARG   5           HA       ARG   5  -2.502   6.393  -3.019
   41   1HB   ARG   5          2HB       ARG   5  -2.743   7.286  -5.401
   42   2HB   ARG   5          1HB       ARG   5  -2.864   5.612  -5.912
   43   1HG   ARG   5          2HG       ARG   5  -5.070   6.169  -5.751
   44   2HG   ARG   5          1HG       ARG   5  -4.788   5.529  -4.132
   45   1HD   ARG   5          2HD       ARG   5  -4.413   8.445  -4.692
   46   2HD   ARG   5          1HD       ARG   5  -6.029   7.796  -4.430
   47    HE   ARG   5           HE       ARG   5  -4.638   6.864  -2.302
   48   1HH1  ARG   5          1HH1      ARG   5  -5.034  10.061  -3.676
   49   2HH1  ARG   5          2HH1      ARG   5  -4.973  10.867  -2.146
   50   1HH2  ARG   5          1HH2      ARG   5  -4.584   7.910  -0.287
   51   2HH2  ARG   5          2HH2      ARG   5  -4.712   9.638  -0.206
   52    H    ILE   6           H        ILE   6  -0.714   4.055  -4.818
   53    HA   ILE   6           HA       ILE   6  -2.257   1.771  -4.683
   54    HB   ILE   6           HB       ILE   6   0.730   1.868  -4.324
   55   1HG1  ILE   6          2HG1      ILE   6  -0.845   1.840  -6.910
   56   2HG1  ILE   6          1HG1      ILE   6  -0.028   3.253  -6.249
   57   1HG2  ILE   6          1HG2      ILE   6  -0.808  -0.303  -4.154
   58   2HG2  ILE   6          2HG2      ILE   6   0.805  -0.338  -4.867
   59   3HG2  ILE   6          3HG2      ILE   6  -0.616  -0.244  -5.906
   60   1HD1  ILE   6          1HD1      ILE   6   1.919   2.625  -7.105
   61   2HD1  ILE   6          2HD1      ILE   6   1.018   1.416  -8.023
   62   3HD1  ILE   6          3HD1      ILE   6   1.754   0.985  -6.478
   63    H    CYS   7           H        CYS   7  -0.228   3.211  -2.204
   64    HA   CYS   7           HA       CYS   7  -0.070   1.119  -0.388
   65   1HB   CYS   7          2HB       CYS   7  -0.308   4.090   0.096
   66   2HB   CYS   7          1HB       CYS   7   0.088   2.925   1.347
   67    H    ASN   8           H        ASN   8  -2.727   3.204  -1.150
   68    HA   ASN   8           HA       ASN   8  -4.294   2.672   1.157
   69   1HB   ASN   8          2HB       ASN   8  -5.017   3.661  -1.596
   70   2HB   ASN   8          1HB       ASN   8  -6.206   3.474  -0.310
   71   1HD2  ASN   8          1HD2      ASN   8  -3.795   4.189   1.528
   72   2HD2  ASN   8          2HD2      ASN   8  -3.802   5.915   1.495
   73    H    LEU   9           H        LEU   9  -4.275   1.226  -2.096
   74    HA   LEU   9           HA       LEU   9  -6.291  -0.677  -1.408
   75   1HB   LEU   9          2HB       LEU   9  -5.790  -1.746  -3.547
   76   2HB   LEU   9          1HB       LEU   9  -6.023  -0.020  -3.728
   77    HG   LEU   9           HG       LEU   9  -3.363  -0.025  -3.558
   78   1HD1  LEU   9          1HD1      LEU   9  -2.338  -1.915  -4.536
   79   2HD1  LEU   9          2HD1      LEU   9  -3.893  -2.649  -4.929
   80   3HD1  LEU   9          3HD1      LEU   9  -3.373  -2.532  -3.247
   81   1HD2  LEU   9          1HD2      LEU   9  -4.889   0.788  -5.396
   82   2HD2  LEU   9          2HD2      LEU   9  -4.733  -0.815  -6.114
   83   3HD2  LEU   9          3HD2      LEU   9  -3.307   0.202  -5.907
   84    H    ALA  10           H        ALA  10  -2.848  -0.500  -1.234
   85    HA   ALA  10           HA       ALA  10  -2.214  -3.213  -0.905
   86   1HB   ALA  10          1HB       ALA  10  -0.236  -2.261   0.432
   87   2HB   ALA  10          2HB       ALA  10  -0.887  -0.680   0.004
   88   3HB   ALA  10          3HB       ALA  10  -0.389  -1.800  -1.263
   89    H    CYS  11           H        CYS  11  -3.044  -0.698   1.480
   90    HA   CYS  11           HA       CYS  11  -2.834  -2.377   3.754
   91   1HB   CYS  11          2HB       CYS  11  -4.694  -0.006   3.438
   92   2HB   CYS  11          1HB       CYS  11  -4.145  -0.706   4.948
   93    H    ARG  12           H        ARG  12  -5.519  -1.577   1.604
   94    HA   ARG  12           HA       ARG  12  -7.580  -2.825   3.007
   95   1HB   ARG  12          2HB       ARG  12  -7.935  -1.262   1.143
   96   2HB   ARG  12          1HB       ARG  12  -7.315  -2.465   0.021
   97   1HG   ARG  12          2HG       ARG  12  -9.742  -2.390  -0.030
   98   2HG   ARG  12          1HG       ARG  12  -9.172  -3.949   0.570
   99   1HD   ARG  12          2HD       ARG  12 -11.040  -3.178   1.907
  100   2HD   ARG  12          1HD       ARG  12  -9.566  -3.188   2.874
  101    HE   ARG  12           HE       ARG  12  -9.958  -0.635   1.728
  102   1HH1  ARG  12          1HH1      ARG  12 -11.203  -2.725   4.236
  103   2HH1  ARG  12          2HH1      ARG  12 -11.787  -1.424   5.220
  104   1HH2  ARG  12          1HH2      ARG  12 -10.729   1.100   3.018
  105   2HH2  ARG  12          2HH2      ARG  12 -11.517   0.761   4.522
  106    H    ALA  13           H        ALA  13  -5.542  -4.135   0.405
  107    HA   ALA  13           HA       ALA  13  -6.767  -6.745   0.695
  108   1HB   ALA  13          1HB       ALA  13  -5.525  -5.428  -1.395
  109   2HB   ALA  13          2HB       ALA  13  -6.031  -7.118  -1.373
  110   3HB   ALA  13          3HB       ALA  13  -4.376  -6.686  -0.940
  111    H    GLY  14           H        GLY  14  -4.668  -5.175   2.521
  112   1HA   GLY  14          2HA       GLY  14  -3.149  -5.788   4.130
  113   2HA   GLY  14          1HA       GLY  14  -3.728  -7.422   3.905
  114    H    ILE  15           H        ILE  15  -2.501  -5.845   1.163
  115    HA   ILE  15           HA       ILE  15  -0.237  -7.671   1.137
  116    HB   ILE  15           HB       ILE  15   0.133  -6.809  -1.193
  117   1HG1  ILE  15          2HG1      ILE  15  -2.508  -5.422  -0.672
  118   2HG1  ILE  15          1HG1      ILE  15  -0.959  -4.629  -0.934
  119   1HG2  ILE  15          1HG2      ILE  15  -0.995  -8.877  -0.927
  120   2HG2  ILE  15          2HG2      ILE  15  -1.909  -7.951  -2.118
  121   3HG2  ILE  15          3HG2      ILE  15  -2.495  -8.077  -0.459
  122   1HD1  ILE  15          1HD1      ILE  15  -2.732  -6.014  -2.883
  123   2HD1  ILE  15          2HD1      ILE  15  -1.000  -5.910  -3.196
  124   3HD1  ILE  15          3HD1      ILE  15  -1.949  -4.439  -2.992
  125    H    GLY  16           H        GLY  16  -0.602  -5.198   2.786
  126   1HA   GLY  16          2HA       GLY  16   1.239  -3.218   1.991
  127   2HA   GLY  16          1HA       GLY  16   0.751  -3.546   3.650
  128    H    HIS  17           H        HIS  17   1.650  -6.183   3.849
  129    HA   HIS  17           HA       HIS  17   4.395  -5.715   4.410
  130   1HB   HIS  17          2HB       HIS  17   4.453  -8.091   5.136
  131   2HB   HIS  17          1HB       HIS  17   3.158  -7.169   5.881
  132    HD1  HIS  17           1HD      HIS  17   2.536  -9.901   6.217
  133    HD2  HIS  17           2HD      HIS  17   1.815  -8.130   2.526
  134    HE1  HIS  17           1HE      HIS  17   0.855 -11.380   5.077
  135    H    LYS  18           H        LYS  18   2.821  -6.630   1.592
  136    HA   LYS  18           HA       LYS  18   5.094  -8.107   0.535
  137   1HB   LYS  18          2HB       LYS  18   2.920  -9.003  -0.008
  138   2HB   LYS  18          1HB       LYS  18   2.389  -7.453  -0.642
  139   1HG   LYS  18          2HG       LYS  18   2.920  -9.102  -2.398
  140   2HG   LYS  18          1HG       LYS  18   3.894  -7.636  -2.507
  141   1HD   LYS  18          2HD       LYS  18   5.281  -9.583  -2.899
  142   2HD   LYS  18          1HD       LYS  18   5.746  -8.813  -1.382
  143   1HE   LYS  18          2HE       LYS  18   4.430 -10.481  -0.151
  144   2HE   LYS  18          1HE       LYS  18   4.002 -11.257  -1.676
  145   1HZ   LYS  18          1HZ       LYS  18   6.437 -11.562  -2.046
  146   2HZ   LYS  18          2HZ       LYS  18   5.810 -12.449  -0.751
  147   3HZ   LYS  18          3HZ       LYS  18   6.698 -11.041  -0.458
  148    H    TYR  19           H        TYR  19   3.464  -5.014   0.184
  149    HA   TYR  19           HA       TYR  19   5.252  -4.213  -1.975
  150   1HB   TYR  19          2HB       TYR  19   2.918  -2.874  -0.616
  151   2HB   TYR  19          1HB       TYR  19   3.944  -2.019  -1.761
  152    HD1  TYR  19           1HD      TYR  19   2.502  -1.627  -3.556
  153    HD2  TYR  19           2HD      TYR  19   2.769  -5.554  -1.942
  154    HE1  TYR  19           1HE      TYR  19   1.149  -2.480  -5.422
  155    HE2  TYR  19           2HE      TYR  19   1.418  -6.417  -3.805
  156    HH   TYR  19           HH       TYR  19   1.000  -5.094  -6.543
  157    HA   PRO  20           HA       PRO  20   8.256  -2.774   1.052
  158   1HB   PRO  20          2HB       PRO  20   9.830  -1.543  -0.877
  159   2HB   PRO  20          1HB       PRO  20   9.976  -3.225  -0.357
  160   1HG   PRO  20          2HG       PRO  20   8.593  -2.089  -2.747
  161   2HG   PRO  20          1HG       PRO  20   9.537  -3.583  -2.599
  162   1HD   PRO  20          2HD       PRO  20   6.858  -3.622  -2.670
  163   2HD   PRO  20          1HD       PRO  20   7.773  -4.750  -1.645
  164    H    PHE  21           H        PHE  21   7.230  -0.673  -1.638
  165    HA   PHE  21           HA       PHE  21   7.741   1.722  -0.161
  166   1HB   PHE  21          2HB       PHE  21   6.512   2.797  -2.132
  167   2HB   PHE  21          1HB       PHE  21   8.012   1.951  -2.479
  168    HD1  PHE  21           1HD      PHE  21   8.068   0.450  -4.215
  169    HD2  PHE  21           2HD      PHE  21   4.327   1.369  -2.414
  170    HE1  PHE  21           1HE      PHE  21   6.918  -0.888  -5.930
  171    HE2  PHE  21           2HE      PHE  21   3.170   0.030  -4.121
  172    HZ   PHE  21           HZ       PHE  21   4.466  -1.102  -5.882
  173    H    CYS  22           H        CYS  22   5.286  -0.507   0.017
  174    HA   CYS  22           HA       CYS  22   3.565   1.442   1.374
  175   1HB   CYS  22          2HB       CYS  22   2.634  -0.616  -0.645
  176   2HB   CYS  22          1HB       CYS  22   1.556   0.223   0.464
  177    H    HIS  23           H        HIS  23   5.293   0.046   2.736
  178    HA   HIS  23           HA       HIS  23   4.547  -2.570   3.500
  179   1HB   HIS  23          2HB       HIS  23   6.831  -1.425   3.756
  180   2HB   HIS  23          1HB       HIS  23   6.167  -0.691   5.211
  181    HD1  HIS  23           1HD      HIS  23   8.398  -2.267   5.992
  182    HD2  HIS  23           2HD      HIS  23   4.774  -4.140   5.202
  183    HE1  HIS  23           1HE      HIS  23   8.527  -4.496   7.145
  184    H    CYS  24           H        CYS  24   2.264  -1.503   3.595
  185    HA   CYS  24           HA       CYS  24   1.474  -0.401   6.132
  186   1HB   CYS  24          2HB       CYS  24   0.431   0.022   3.838
  187   2HB   CYS  24          1HB       CYS  24  -0.299  -1.570   3.996
  188    H    ARG  25           H        ARG  25  -0.667  -1.571   6.983
  189    HA   ARG  25           HA       ARG  25   0.259  -4.023   8.134
  190   1HB   ARG  25          2HB       ARG  25  -1.165  -2.353   9.336
  191   2HB   ARG  25          1HB       ARG  25  -2.507  -2.815   8.299
  192   1HG   ARG  25          2HG       ARG  25  -2.631  -3.906  10.476
  193   2HG   ARG  25          1HG       ARG  25  -2.433  -5.081   9.175
  194   1HD   ARG  25          2HD       ARG  25  -1.020  -5.626  11.097
  195   2HD   ARG  25          1HD       ARG  25  -0.056  -5.254   9.671
  196    HE   ARG  25           HE       ARG  25  -0.390  -2.914  11.195
  197   1HH1  ARG  25          1HH1      ARG  25   1.266  -5.989  11.319
  198   2HH1  ARG  25          2HH1      ARG  25   2.565  -5.403  12.302
  199   1HH2  ARG  25          1HH2      ARG  25   1.325  -2.123  12.495
  200   2HH2  ARG  25          2HH2      ARG  25   2.599  -3.194  12.973
  201   1HN   NH2  26          1H        ARG  25  -2.970  -4.790   5.768
  202   2HN   NH2  26          2H        ARG  25  -2.208  -3.246   5.656
  Start of MODEL    8
    1   1H    PHE   1          1HT       PHE   1   7.637  16.063  -5.149
    2   2H    PHE   1          2HT       PHE   1   8.391  14.659  -5.716
    3   3H    PHE   1          3HT       PHE   1   7.481  14.612  -4.291
    4    HA   PHE   1           HA       PHE   1   5.885  15.613  -6.369
    5   1HB   PHE   1          2HB       PHE   1   5.849  13.535  -7.760
    6   2HB   PHE   1          1HB       PHE   1   7.353  14.434  -7.890
    7    HD1  PHE   1           1HD      PHE   1   5.811  11.510  -6.180
    8    HD2  PHE   1           2HD      PHE   1   9.388  13.383  -7.526
    9    HE1  PHE   1           1HE      PHE   1   7.078   9.475  -5.631
   10    HE2  PHE   1           2HE      PHE   1  10.662  11.351  -6.978
   11    HZ   PHE   1           HZ       PHE   1   9.507   9.394  -6.029
   12    HA   PRO   2           HA       PRO   2   3.029  13.676  -3.627
   13   1HB   PRO   2          2HB       PRO   2   1.212  13.103  -5.854
   14   2HB   PRO   2          1HB       PRO   2   1.004  14.218  -4.504
   15   1HG   PRO   2          2HG       PRO   2   1.409  15.073  -7.026
   16   2HG   PRO   2          1HG       PRO   2   2.008  15.961  -5.613
   17   1HD   PRO   2          2HD       PRO   2   3.489  14.161  -7.490
   18   2HD   PRO   2          1HD       PRO   2   4.000  15.699  -6.762
   19    H    ARG   3           H        ARG   3   2.707  11.677  -2.826
   20    HA   ARG   3           HA       ARG   3   3.668   9.427  -4.345
   21   1HB   ARG   3          2HB       ARG   3   2.810   9.844  -1.503
   22   2HB   ARG   3          1HB       ARG   3   2.946   8.213  -2.142
   23   1HG   ARG   3          2HG       ARG   3   5.283   8.551  -2.628
   24   2HG   ARG   3          1HG       ARG   3   5.171  10.240  -2.125
   25   1HD   ARG   3          2HD       ARG   3   6.154   8.763  -0.393
   26   2HD   ARG   3          1HD       ARG   3   4.693   9.592   0.140
   27    HE   ARG   3           HE       ARG   3   3.665   7.567   0.378
   28   1HH1  ARG   3          1HH1      ARG   3   6.570   7.092  -1.522
   29   2HH1  ARG   3          2HH1      ARG   3   6.416   5.368  -1.557
   30   1HH2  ARG   3          1HH2      ARG   3   3.460   5.288   0.322
   31   2HH2  ARG   3          2HH2      ARG   3   4.654   4.335  -0.499
   32    HA   PRO   4           HA       PRO   4  -0.297   8.235  -5.939
   33   1HB   PRO   4          2HB       PRO   4   0.889   5.523  -5.978
   34   2HB   PRO   4          1HB       PRO   4   0.216   6.473  -7.305
   35   1HG   PRO   4          2HG       PRO   4   2.858   6.084  -7.052
   36   2HG   PRO   4          1HG       PRO   4   2.189   7.604  -7.680
   37   1HD   PRO   4          2HD       PRO   4   3.319   6.999  -4.982
   38   2HD   PRO   4          1HD       PRO   4   3.436   8.480  -5.950
   39    H    ARG   5           H        ARG   5  -2.135   7.422  -5.025
   40    HA   ARG   5           HA       ARG   5  -1.995   6.533  -2.305
   41   1HB   ARG   5          2HB       ARG   5  -3.775   8.060  -3.282
   42   2HB   ARG   5          1HB       ARG   5  -4.467   6.629  -4.032
   43   1HG   ARG   5          2HG       ARG   5  -4.757   5.619  -1.819
   44   2HG   ARG   5          1HG       ARG   5  -4.091   7.074  -1.078
   45   1HD   ARG   5          2HD       ARG   5  -5.930   8.392  -1.872
   46   2HD   ARG   5          1HD       ARG   5  -6.546   7.040  -2.824
   47    HE   ARG   5           HE       ARG   5  -6.402   6.222  -0.157
   48   1HH1  ARG   5          1HH1      ARG   5  -8.188   8.524  -2.093
   49   2HH1  ARG   5          2HH1      ARG   5  -9.609   8.445  -1.108
   50   1HH2  ARG   5          1HH2      ARG   5  -8.265   6.088   1.133
   51   2HH2  ARG   5          2HH2      ARG   5  -9.654   7.054   0.742
   52    H    ILE   6           H        ILE   6  -0.696   4.744  -3.977
   53    HA   ILE   6           HA       ILE   6  -2.324   2.473  -4.589
   54    HB   ILE   6           HB       ILE   6  -0.034   1.297  -4.581
   55   1HG1  ILE   6          2HG1      ILE   6   0.847   4.191  -4.557
   56   2HG1  ILE   6          1HG1      ILE   6   1.172   3.003  -3.300
   57   1HG2  ILE   6          1HG2      ILE   6  -0.248   1.521  -6.784
   58   2HG2  ILE   6          2HG2      ILE   6   0.233   3.216  -6.707
   59   3HG2  ILE   6          3HG2      ILE   6  -1.459   2.768  -6.484
   60   1HD1  ILE   6          1HD1      ILE   6   2.910   3.630  -5.230
   61   2HD1  ILE   6          2HD1      ILE   6   2.069   2.295  -6.015
   62   3HD1  ILE   6          3HD1      ILE   6   2.851   2.049  -4.453
   63    H    CYS   7           H        CYS   7  -0.374   3.504  -1.888
   64    HA   CYS   7           HA       CYS   7  -0.214   1.157  -0.404
   65   1HB   CYS   7          2HB       CYS   7  -0.489   4.021   0.522
   66   2HB   CYS   7          1HB       CYS   7  -0.092   2.681   1.580
   67    H    ASN   8           H        ASN   8  -2.831   3.299  -0.985
   68    HA   ASN   8           HA       ASN   8  -4.583   2.715   1.128
   69   1HB   ASN   8          2HB       ASN   8  -4.864   4.466  -0.703
   70   2HB   ASN   8          1HB       ASN   8  -5.424   3.164  -1.739
   71   1HD2  ASN   8          1HD2      ASN   8  -7.501   2.605  -1.664
   72   2HD2  ASN   8          2HD2      ASN   8  -8.643   3.174  -0.500
   73    H    LEU   9           H        LEU   9  -4.259   1.262  -2.063
   74    HA   LEU   9           HA       LEU   9  -6.169  -0.801  -1.691
   75   1HB   LEU   9          2HB       LEU   9  -3.843  -1.149  -3.527
   76   2HB   LEU   9          1HB       LEU   9  -5.528  -1.563  -3.780
   77    HG   LEU   9           HG       LEU   9  -4.444   1.246  -3.781
   78   1HD1  LEU   9          1HD1      LEU   9  -4.998   1.029  -6.275
   79   2HD1  LEU   9          2HD1      LEU   9  -4.946  -0.711  -5.997
   80   3HD1  LEU   9          3HD1      LEU   9  -3.516   0.274  -5.690
   81   1HD2  LEU   9          1HD2      LEU   9  -7.105   0.166  -3.686
   82   2HD2  LEU   9          2HD2      LEU   9  -6.864   1.053  -5.190
   83   3HD2  LEU   9          3HD2      LEU   9  -6.581   1.849  -3.642
   84    H    ALA  10           H        ALA  10  -2.721  -0.507  -1.310
   85    HA   ALA  10           HA       ALA  10  -2.013  -3.147  -0.823
   86   1HB   ALA  10          1HB       ALA  10  -0.264  -1.609  -1.111
   87   2HB   ALA  10          2HB       ALA  10  -0.133  -2.147   0.564
   88   3HB   ALA  10          3HB       ALA  10  -0.845  -0.576   0.195
   89    H    CYS  11           H        CYS  11  -3.042  -0.692   1.573
   90    HA   CYS  11           HA       CYS  11  -2.850  -2.432   3.807
   91   1HB   CYS  11          2HB       CYS  11  -4.839  -0.168   3.629
   92   2HB   CYS  11          1HB       CYS  11  -4.038  -0.796   5.056
   93    H    ARG  12           H        ARG  12  -5.547  -1.524   1.703
   94    HA   ARG  12           HA       ARG  12  -7.595  -2.875   3.006
   95   1HB   ARG  12          2HB       ARG  12  -8.056  -1.256   1.277
   96   2HB   ARG  12          1HB       ARG  12  -7.257  -2.255   0.072
   97   1HG   ARG  12          2HG       ARG  12  -9.666  -2.408  -0.140
   98   2HG   ARG  12          1HG       ARG  12  -8.984  -3.963   0.340
   99   1HD   ARG  12          2HD       ARG  12  -9.572  -3.428   2.695
  100   2HD   ARG  12          1HD       ARG  12 -10.368  -1.964   2.126
  101    HE   ARG  12           HE       ARG  12 -12.150  -3.231   1.489
  102   1HH1  ARG  12          1HH1      ARG  12  -9.408  -5.376   1.960
  103   2HH1  ARG  12          2HH1      ARG  12 -10.326  -6.814   1.651
  104   1HH2  ARG  12          1HH2      ARG  12 -13.354  -5.134   1.087
  105   2HH2  ARG  12          2HH2      ARG  12 -12.571  -6.677   1.155
  106    H    ALA  13           H        ALA  13  -5.437  -4.059   0.455
  107    HA   ALA  13           HA       ALA  13  -6.692  -6.677   0.553
  108   1HB   ALA  13          1HB       ALA  13  -4.216  -6.103  -1.011
  109   2HB   ALA  13          2HB       ALA  13  -5.762  -5.444  -1.541
  110   3HB   ALA  13          3HB       ALA  13  -5.553  -7.189  -1.387
  111    H    GLY  14           H        GLY  14  -4.643  -5.183   2.504
  112   1HA   GLY  14          2HA       GLY  14  -3.159  -5.863   4.117
  113   2HA   GLY  14          1HA       GLY  14  -3.734  -7.485   3.820
  114    H    ILE  15           H        ILE  15  -2.481  -5.835   1.151
  115    HA   ILE  15           HA       ILE  15  -0.201  -7.641   1.111
  116    HB   ILE  15           HB       ILE  15   0.167  -6.804  -1.204
  117   1HG1  ILE  15          2HG1      ILE  15  -2.404  -5.287  -0.695
  118   2HG1  ILE  15          1HG1      ILE  15  -0.813  -4.571  -0.936
  119   1HG2  ILE  15          1HG2      ILE  15  -2.197  -7.684  -2.010
  120   2HG2  ILE  15          2HG2      ILE  15  -2.333  -8.132  -0.309
  121   3HG2  ILE  15          3HG2      ILE  15  -1.002  -8.757  -1.284
  122   1HD1  ILE  15          1HD1      ILE  15  -2.510  -4.651  -2.891
  123   2HD1  ILE  15          2HD1      ILE  15  -1.986  -6.327  -3.042
  124   3HD1  ILE  15          3HD1      ILE  15  -0.812  -5.019  -3.194
  125    H    GLY  16           H        GLY  16  -0.583  -5.224   2.818
  126   1HA   GLY  16          2HA       GLY  16   1.198  -3.181   2.065
  127   2HA   GLY  16          1HA       GLY  16   0.744  -3.575   3.717
  128    H    HIS  17           H        HIS  17   1.752  -6.149   3.923
  129    HA   HIS  17           HA       HIS  17   4.525  -5.572   4.319
  130   1HB   HIS  17          2HB       HIS  17   4.688  -7.678   5.409
  131   2HB   HIS  17          1HB       HIS  17   3.111  -7.032   5.835
  132    HD1  HIS  17           1HD      HIS  17   4.604  -9.511   3.357
  133    HD2  HIS  17           2HD      HIS  17   1.077  -8.786   5.439
  134    HE1  HIS  17           1HE      HIS  17   3.119 -11.485   2.878
  135    H    LYS  18           H        LYS  18   2.821  -6.522   1.646
  136    HA   LYS  18           HA       LYS  18   4.929  -8.189   0.520
  137   1HB   LYS  18          2HB       LYS  18   2.565  -8.802   0.116
  138   2HB   LYS  18          1HB       LYS  18   2.312  -7.262  -0.694
  139   1HG   LYS  18          2HG       LYS  18   4.114  -7.970  -2.321
  140   2HG   LYS  18          1HG       LYS  18   4.006  -9.573  -1.597
  141   1HD   LYS  18          2HD       LYS  18   1.706  -8.078  -2.856
  142   2HD   LYS  18          1HD       LYS  18   2.641  -9.348  -3.644
  143   1HE   LYS  18          2HE       LYS  18   1.920 -10.947  -1.961
  144   2HE   LYS  18          1HE       LYS  18   1.037  -9.680  -1.110
  145   1HZ   LYS  18          1HZ       LYS  18  -0.695  -9.982  -2.437
  146   2HZ   LYS  18          2HZ       LYS  18   0.091 -11.309  -3.132
  147   3HZ   LYS  18          3HZ       LYS  18   0.248  -9.776  -3.827
  148    H    TYR  19           H        TYR  19   3.445  -5.029   0.140
  149    HA   TYR  19           HA       TYR  19   5.301  -4.318  -1.998
  150   1HB   TYR  19          2HB       TYR  19   2.933  -2.895  -0.774
  151   2HB   TYR  19          1HB       TYR  19   3.987  -2.139  -1.962
  152    HD1  TYR  19           1HD      TYR  19   2.306  -1.806  -3.631
  153    HD2  TYR  19           2HD      TYR  19   3.020  -5.705  -2.086
  154    HE1  TYR  19           1HE      TYR  19   0.960  -2.770  -5.449
  155    HE2  TYR  19           2HE      TYR  19   1.678  -6.675  -3.898
  156    HH   TYR  19           HH       TYR  19   0.371  -4.681  -6.496
  157    HA   PRO  20           HA       PRO  20   8.122  -2.826   1.197
  158   1HB   PRO  20          2HB       PRO  20   9.505  -1.821  -1.234
  159   2HB   PRO  20          1HB       PRO  20  10.139  -2.783   0.107
  160   1HG   PRO  20          2HG       PRO  20   9.666  -3.907  -2.259
  161   2HG   PRO  20          1HG       PRO  20   9.304  -4.772  -0.752
  162   1HD   PRO  20          2HD       PRO  20   7.442  -3.375  -2.633
  163   2HD   PRO  20          1HD       PRO  20   7.220  -4.901  -1.751
  164    H    PHE  21           H        PHE  21   7.249  -0.879  -1.644
  165    HA   PHE  21           HA       PHE  21   7.780   1.605  -0.330
  166   1HB   PHE  21          2HB       PHE  21   6.629   2.566  -2.394
  167   2HB   PHE  21          1HB       PHE  21   8.099   1.638  -2.658
  168    HD1  PHE  21           1HD      PHE  21   4.401   1.101  -2.515
  169    HD2  PHE  21           2HD      PHE  21   8.106   0.112  -4.358
  170    HE1  PHE  21           1HE      PHE  21   3.214  -0.334  -4.122
  171    HE2  PHE  21           2HE      PHE  21   6.927  -1.324  -5.968
  172    HZ   PHE  21           HZ       PHE  21   4.476  -1.548  -5.851
  173    H    CYS  22           H        CYS  22   5.379  -0.529   0.170
  174    HA   CYS  22           HA       CYS  22   3.651   1.505   1.326
  175   1HB   CYS  22          2HB       CYS  22   2.765  -0.441  -0.794
  176   2HB   CYS  22          1HB       CYS  22   1.633   0.153   0.414
  177    H    HIS  23           H        HIS  23   5.306   0.036   2.733
  178    HA   HIS  23           HA       HIS  23   4.383  -2.507   3.557
  179   1HB   HIS  23          2HB       HIS  23   6.000  -2.282   5.419
  180   2HB   HIS  23          1HB       HIS  23   6.709  -1.947   3.847
  181    HD1  HIS  23           1HD      HIS  23   8.443  -0.882   5.803
  182    HD2  HIS  23           2HD      HIS  23   5.018   1.244   4.794
  183    HE1  HIS  23           1HE      HIS  23   8.885   1.486   6.521
  184    H    CYS  24           H        CYS  24   2.183  -1.280   3.605
  185    HA   CYS  24           HA       CYS  24   1.445  -0.081   6.109
  186   1HB   CYS  24          2HB       CYS  24   0.442   0.437   3.862
  187   2HB   CYS  24          1HB       CYS  24  -0.313  -1.151   3.899
  188    H    ARG  25           H        ARG  25  -0.617  -1.017   7.169
  189    HA   ARG  25           HA       ARG  25   0.052  -3.622   8.173
  190   1HB   ARG  25          2HB       ARG  25  -0.841  -1.862   9.644
  191   2HB   ARG  25          1HB       ARG  25  -2.345  -1.863   8.736
  192   1HG   ARG  25          2HG       ARG  25  -2.667  -4.240   9.398
  193   2HG   ARG  25          1HG       ARG  25  -1.244  -4.093  10.430
  194   1HD   ARG  25          2HD       ARG  25  -2.308  -2.389  11.747
  195   2HD   ARG  25          1HD       ARG  25  -3.680  -2.329  10.642
  196    HE   ARG  25           HE       ARG  25  -3.321  -4.122  12.807
  197   1HH1  ARG  25          1HH1      ARG  25  -4.621  -3.963   9.553
  198   2HH1  ARG  25          2HH1      ARG  25  -5.736  -5.265   9.795
  199   1HH2  ARG  25          1HH2      ARG  25  -4.795  -5.844  13.130
  200   2HH2  ARG  25          2HH2      ARG  25  -5.836  -6.338  11.836
  201   1HN   NH2  26          1H        ARG  25  -1.673  -5.546   5.919
  202   2HN   NH2  26          2H        ARG  25  -0.203  -4.635   5.958
  Start of MODEL    9
    1   1H    PHE   1          1HT       PHE   1   0.344  12.940   7.524
    2   2H    PHE   1          2HT       PHE   1  -0.276  11.488   8.134
    3   3H    PHE   1          3HT       PHE   1  -0.737  12.025   6.598
    4    HA   PHE   1           HA       PHE   1   2.088  11.811   6.813
    5   1HB   PHE   1          2HB       PHE   1   1.518  10.069   8.438
    6   2HB   PHE   1          1HB       PHE   1   0.388   9.349   7.299
    7    HD1  PHE   1           1HD      PHE   1   3.979  10.406   7.284
    8    HD2  PHE   1           2HD      PHE   1   1.103   7.421   6.317
    9    HE1  PHE   1           1HE      PHE   1   5.773   8.967   6.408
   10    HE2  PHE   1           2HE      PHE   1   2.891   5.976   5.442
   11    HZ   PHE   1           HZ       PHE   1   5.230   6.748   5.486
   12    HA   PRO   2           HA       PRO   2   0.787  11.507   2.536
   13   1HB   PRO   2          2HB       PRO   2   3.152  12.109   1.425
   14   2HB   PRO   2          1HB       PRO   2   2.182  13.335   2.249
   15   1HG   PRO   2          2HG       PRO   2   4.595  11.866   3.209
   16   2HG   PRO   2          1HG       PRO   2   4.140  13.560   3.459
   17   1HD   PRO   2          2HD       PRO   2   3.773  11.517   5.302
   18   2HD   PRO   2          1HD       PRO   2   2.903  13.062   5.303
   19    H    ARG   3           H        ARG   3   0.846   9.897   1.012
   20    HA   ARG   3           HA       ARG   3   3.004   8.087   0.701
   21   1HB   ARG   3          2HB       ARG   3   2.137   6.075   1.582
   22   2HB   ARG   3          1HB       ARG   3   1.910   7.260   2.856
   23   1HG   ARG   3          2HG       ARG   3  -0.268   6.479   0.937
   24   2HG   ARG   3          1HG       ARG   3   0.013   5.655   2.470
   25   1HD   ARG   3          2HD       ARG   3  -0.300   7.804   3.642
   26   2HD   ARG   3          1HD       ARG   3  -0.657   8.572   2.095
   27    HE   ARG   3           HE       ARG   3  -2.361   6.368   2.430
   28   1HH1  ARG   3          1HH1      ARG   3  -1.804   9.538   3.784
   29   2HH1  ARG   3          2HH1      ARG   3  -3.456   9.778   4.247
   30   1HH2  ARG   3          1HH2      ARG   3  -4.551   6.661   3.050
   31   2HH2  ARG   3          2HH2      ARG   3  -5.024   8.129   3.837
   32    HA   PRO   4           HA       PRO   4   1.218   7.741  -3.287
   33   1HB   PRO   4          2HB       PRO   4   1.724   5.059  -3.814
   34   2HB   PRO   4          1HB       PRO   4   2.857   6.387  -4.075
   35   1HG   PRO   4          2HG       PRO   4   2.674   4.469  -1.797
   36   2HG   PRO   4          1HG       PRO   4   4.112   5.154  -2.580
   37   1HD   PRO   4          2HD       PRO   4   3.245   6.048  -0.203
   38   2HD   PRO   4          1HD       PRO   4   3.953   7.148  -1.408
   39    H    ARG   5           H        ARG   5  -0.624   7.108  -4.332
   40    HA   ARG   5           HA       ARG   5  -2.860   6.384  -2.847
   41   1HB   ARG   5          2HB       ARG   5  -2.919   7.588  -5.005
   42   2HB   ARG   5          1HB       ARG   5  -2.456   6.110  -5.833
   43   1HG   ARG   5          2HG       ARG   5  -4.819   6.467  -6.075
   44   2HG   ARG   5          1HG       ARG   5  -4.543   5.053  -5.058
   45   1HD   ARG   5          2HD       ARG   5  -4.974   6.381  -3.065
   46   2HD   ARG   5          1HD       ARG   5  -5.184   7.826  -4.054
   47    HE   ARG   5           HE       ARG   5  -6.974   5.871  -4.955
   48   1HH1  ARG   5          1HH1      ARG   5  -6.440   7.880  -2.142
   49   2HH1  ARG   5          2HH1      ARG   5  -8.114   7.942  -1.703
   50   1HH2  ARG   5          1HH2      ARG   5  -9.196   5.958  -4.388
   51   2HH2  ARG   5          2HH2      ARG   5  -9.688   6.848  -2.986
   52    H    ILE   6           H        ILE   6  -0.515   4.388  -4.446
   53    HA   ILE   6           HA       ILE   6  -1.960   2.006  -4.721
   54    HB   ILE   6           HB       ILE   6   0.978   2.237  -4.088
   55   1HG1  ILE   6          2HG1      ILE   6  -0.377   2.319  -6.795
   56   2HG1  ILE   6          1HG1      ILE   6   0.323   3.711  -5.975
   57   1HG2  ILE   6          1HG2      ILE   6  -0.475  -0.015  -4.230
   58   2HG2  ILE   6          2HG2      ILE   6   1.217   0.077  -4.722
   59   3HG2  ILE   6          3HG2      ILE   6  -0.062   0.177  -5.933
   60   1HD1  ILE   6          1HD1      ILE   6   1.752   1.313  -7.082
   61   2HD1  ILE   6          2HD1      ILE   6   2.520   2.498  -6.024
   62   3HD1  ILE   6          3HD1      ILE   6   1.886   2.995  -7.593
   63    H    CYS   7           H        CYS   7  -0.235   3.374  -1.992
   64    HA   CYS   7           HA       CYS   7  -0.182   1.162  -0.299
   65   1HB   CYS   7          2HB       CYS   7  -0.415   4.105   0.317
   66   2HB   CYS   7          1HB       CYS   7  -0.156   2.875   1.542
   67    H    ASN   8           H        ASN   8  -2.759   3.286  -1.178
   68    HA   ASN   8           HA       ASN   8  -4.531   2.822   0.968
   69   1HB   ASN   8          2HB       ASN   8  -4.696   4.536  -0.973
   70   2HB   ASN   8          1HB       ASN   8  -5.484   3.234  -1.854
   71   1HD2  ASN   8          1HD2      ASN   8  -7.602   3.087  -1.657
   72   2HD2  ASN   8          2HD2      ASN   8  -8.552   3.764  -0.384
   73    H    LEU   9           H        LEU   9  -4.296   1.261  -2.213
   74    HA   LEU   9           HA       LEU   9  -6.270  -0.698  -1.573
   75   1HB   LEU   9          2HB       LEU   9  -5.625  -1.774  -3.686
   76   2HB   LEU   9          1HB       LEU   9  -5.975  -0.070  -3.876
   77    HG   LEU   9           HG       LEU   9  -3.325   0.110  -3.622
   78   1HD1  LEU   9          1HD1      LEU   9  -2.498  -1.868  -5.129
   79   2HD1  LEU   9          2HD1      LEU   9  -3.862  -2.714  -4.399
   80   3HD1  LEU   9          3HD1      LEU   9  -2.589  -2.047  -3.377
   81   1HD2  LEU   9          1HD2      LEU   9  -3.207   0.061  -6.093
   82   2HD2  LEU   9          2HD2      LEU   9  -4.573   0.993  -5.479
   83   3HD2  LEU   9          3HD2      LEU   9  -4.832  -0.628  -6.125
   84    H    ALA  10           H        ALA  10  -2.833  -0.457  -1.271
   85    HA   ALA  10           HA       ALA  10  -2.175  -3.162  -0.947
   86   1HB   ALA  10          1HB       ALA  10  -0.231  -2.220   0.418
   87   2HB   ALA  10          2HB       ALA  10  -0.902  -0.631   0.046
   88   3HB   ALA  10          3HB       ALA  10  -0.376  -1.694  -1.259
   89    H    CYS  11           H        CYS  11  -3.097  -0.698   1.454
   90    HA   CYS  11           HA       CYS  11  -2.891  -2.398   3.708
   91   1HB   CYS  11          2HB       CYS  11  -4.708   0.004   3.345
   92   2HB   CYS  11          1HB       CYS  11  -4.266  -0.730   4.878
   93    H    ARG  12           H        ARG  12  -5.565  -1.573   1.554
   94    HA   ARG  12           HA       ARG  12  -7.642  -2.830   2.920
   95   1HB   ARG  12          2HB       ARG  12  -7.969  -1.284   1.031
   96   2HB   ARG  12          1HB       ARG  12  -7.324  -2.499  -0.066
   97   1HG   ARG  12          2HG       ARG  12  -9.186  -4.001   0.582
   98   2HG   ARG  12          1HG       ARG  12  -9.857  -2.686   1.549
   99   1HD   ARG  12          2HD       ARG  12 -10.959  -2.772  -0.601
  100   2HD   ARG  12          1HD       ARG  12 -10.000  -1.298  -0.477
  101    HE   ARG  12           HE       ARG  12  -8.417  -3.243  -1.699
  102   1HH1  ARG  12          1HH1      ARG  12 -11.340  -1.446  -2.368
  103   2HH1  ARG  12          2HH1      ARG  12 -11.128  -1.476  -4.088
  104   1HH2  ARG  12          1HH2      ARG  12  -8.121  -3.290  -3.975
  105   2HH2  ARG  12          2HH2      ARG  12  -9.289  -2.529  -5.005
  106    H    ALA  13           H        ALA  13  -5.466  -4.135   0.446
  107    HA   ALA  13           HA       ALA  13  -6.703  -6.753   0.687
  108   1HB   ALA  13          1HB       ALA  13  -5.569  -7.362  -1.230
  109   2HB   ALA  13          2HB       ALA  13  -4.243  -6.239  -0.926
  110   3HB   ALA  13          3HB       ALA  13  -5.805  -5.632  -1.478
  111    H    GLY  14           H        GLY  14  -4.669  -5.148   2.555
  112   1HA   GLY  14          2HA       GLY  14  -3.163  -5.725   4.187
  113   2HA   GLY  14          1HA       GLY  14  -3.738  -7.362   3.989
  114    H    ILE  15           H        ILE  15  -2.469  -5.815   1.251
  115    HA   ILE  15           HA       ILE  15  -0.229  -7.661   1.255
  116    HB   ILE  15           HB       ILE  15   0.167  -6.794  -1.078
  117   1HG1  ILE  15          2HG1      ILE  15  -2.471  -5.406  -0.552
  118   2HG1  ILE  15          1HG1      ILE  15  -0.926  -4.620  -0.854
  119   1HG2  ILE  15          1HG2      ILE  15  -1.946  -8.476  -0.080
  120   2HG2  ILE  15          2HG2      ILE  15  -0.919  -8.683  -1.498
  121   3HG2  ILE  15          3HG2      ILE  15  -2.402  -7.735  -1.614
  122   1HD1  ILE  15          1HD1      ILE  15  -2.548  -4.697  -2.779
  123   2HD1  ILE  15          2HD1      ILE  15  -2.236  -6.431  -2.855
  124   3HD1  ILE  15          3HD1      ILE  15  -0.919  -5.286  -3.110
  125    H    GLY  16           H        GLY  16  -0.500  -5.222   2.948
  126   1HA   GLY  16          2HA       GLY  16   1.340  -3.248   2.121
  127   2HA   GLY  16          1HA       GLY  16   0.899  -3.594   3.788
  128    H    HIS  17           H        HIS  17   1.803  -6.300   3.810
  129    HA   HIS  17           HA       HIS  17   4.552  -5.850   4.402
  130   1HB   HIS  17          2HB       HIS  17   2.951  -7.520   5.525
  131   2HB   HIS  17          1HB       HIS  17   3.253  -8.560   4.140
  132    HD1  HIS  17           1HD      HIS  17   6.189  -8.572   3.779
  133    HD2  HIS  17           2HD      HIS  17   4.463  -8.407   7.561
  134    HE1  HIS  17           1HE      HIS  17   7.932  -9.462   5.358
  135    H    LYS  18           H        LYS  18   2.825  -6.876   1.634
  136    HA   LYS  18           HA       LYS  18   5.082  -8.152   0.360
  137   1HB   LYS  18          2HB       LYS  18   2.326  -7.444  -0.645
  138   2HB   LYS  18          1HB       LYS  18   3.541  -8.256  -1.621
  139   1HG   LYS  18          2HG       LYS  18   3.568 -10.117  -0.040
  140   2HG   LYS  18          1HG       LYS  18   2.347  -9.303   0.936
  141   1HD   LYS  18          2HD       LYS  18   1.221 -10.925  -0.397
  142   2HD   LYS  18          1HD       LYS  18   0.844  -9.341  -1.072
  143   1HE   LYS  18          2HE       LYS  18   3.072 -11.056  -2.144
  144   2HE   LYS  18          1HE       LYS  18   1.411 -11.217  -2.710
  145   1HZ   LYS  18          1HZ       LYS  18   3.150  -8.820  -2.918
  146   2HZ   LYS  18          2HZ       LYS  18   1.500  -8.814  -3.288
  147   3HZ   LYS  18          3HZ       LYS  18   2.563  -9.774  -4.185
  148    H    TYR  19           H        TYR  19   3.453  -5.042   0.255
  149    HA   TYR  19           HA       TYR  19   5.067  -4.190  -2.013
  150   1HB   TYR  19          2HB       TYR  19   2.825  -2.916  -0.463
  151   2HB   TYR  19          1HB       TYR  19   3.785  -1.989  -1.613
  152    HD1  TYR  19           1HD      TYR  19   2.828  -5.543  -2.034
  153    HD2  TYR  19           2HD      TYR  19   2.080  -1.520  -3.200
  154    HE1  TYR  19           1HE      TYR  19   1.415  -6.346  -3.875
  155    HE2  TYR  19           2HE      TYR  19   0.662  -2.316  -5.045
  156    HH   TYR  19           HH       TYR  19  -0.141  -4.085  -6.122
  157    HA   PRO  20           HA       PRO  20   8.337  -2.866   0.756
  158   1HB   PRO  20          2HB       PRO  20   9.287  -1.647  -1.781
  159   2HB   PRO  20          1HB       PRO  20  10.138  -2.707  -0.652
  160   1HG   PRO  20          2HG       PRO  20   9.271  -3.632  -2.992
  161   2HG   PRO  20          1HG       PRO  20   9.179  -4.629  -1.527
  162   1HD   PRO  20          2HD       PRO  20   7.015  -3.116  -2.933
  163   2HD   PRO  20          1HD       PRO  20   6.953  -4.713  -2.157
  164    H    PHE  21           H        PHE  21   7.043  -0.700  -1.753
  165    HA   PHE  21           HA       PHE  21   7.715   1.647  -0.235
  166   1HB   PHE  21          2HB       PHE  21   6.417   2.806  -2.116
  167   2HB   PHE  21          1HB       PHE  21   7.893   1.958  -2.553
  168    HD1  PHE  21           1HD      PHE  21   4.229   1.255  -2.257
  169    HD2  PHE  21           2HD      PHE  21   7.837   0.661  -4.433
  170    HE1  PHE  21           1HE      PHE  21   2.993  -0.033  -3.947
  171    HE2  PHE  21           2HE      PHE  21   6.607  -0.627  -6.128
  172    HZ   PHE  21           HZ       PHE  21   4.180  -0.975  -5.887
  173    H    CYS  22           H        CYS  22   5.356  -0.544   0.227
  174    HA   CYS  22           HA       CYS  22   3.679   1.423   1.585
  175   1HB   CYS  22          2HB       CYS  22   2.624  -0.598  -0.407
  176   2HB   CYS  22          1HB       CYS  22   1.610   0.208   0.782
  177    H    HIS  23           H        HIS  23   5.268   0.178   3.068
  178    HA   HIS  23           HA       HIS  23   4.677  -2.491   3.814
  179   1HB   HIS  23          2HB       HIS  23   6.338  -0.297   4.974
  180   2HB   HIS  23          1HB       HIS  23   5.985  -1.714   5.959
  181    HD1  HIS  23           1HD      HIS  23   8.848  -1.358   5.355
  182    HD2  HIS  23           2HD      HIS  23   6.300  -3.340   2.738
  183    HE1  HIS  23           1HE      HIS  23  10.332  -2.830   3.960
  184    H    CYS  24           H        CYS  24   2.299  -1.523   3.755
  185    HA   CYS  24           HA       CYS  24   1.329  -0.552   6.289
  186   1HB   CYS  24          2HB       CYS  24   0.384  -0.105   3.934
  187   2HB   CYS  24          1HB       CYS  24  -0.323  -1.712   4.062
  188    H    ARG  25           H        ARG  25  -0.869  -1.890   6.829
  189    HA   ARG  25           HA       ARG  25   0.126  -4.369   7.931
  190   1HB   ARG  25          2HB       ARG  25  -2.545  -2.974   8.188
  191   2HB   ARG  25          1HB       ARG  25  -2.172  -4.504   8.968
  192   1HG   ARG  25          2HG       ARG  25  -1.824  -2.905  10.625
  193   2HG   ARG  25          1HG       ARG  25  -0.204  -3.283  10.041
  194   1HD   ARG  25          2HD       ARG  25  -0.405  -1.280   8.527
  195   2HD   ARG  25          1HD       ARG  25  -1.882  -0.867   9.395
  196    HE   ARG  25           HE       ARG  25  -0.606  -0.075  11.108
  197   1HH1  ARG  25          1HH1      ARG  25   1.411  -2.106   9.085
  198   2HH1  ARG  25          2HH1      ARG  25   2.861  -1.777   9.974
  199   1HH2  ARG  25          1HH2      ARG  25   1.309   0.360  12.287
  200   2HH2  ARG  25          2HH2      ARG  25   2.801  -0.375  11.802
  201   1HN   NH2  26          1H        ARG  25  -1.028  -6.564   7.455
  202   2HN   NH2  26          2H        ARG  25  -2.581  -6.409   6.714
  Start of MODEL   10
    1   1H    PHE   1          1HT       PHE   1  -1.724  12.540   7.519
    2   2H    PHE   1          2HT       PHE   1  -1.718  11.004   8.228
    3   3H    PHE   1          3HT       PHE   1  -2.161  11.185   6.606
    4    HA   PHE   1           HA       PHE   1   0.432  12.249   7.168
    5   1HB   PHE   1          2HB       PHE   1  -0.184   9.330   7.664
    6   2HB   PHE   1          1HB       PHE   1   1.431   9.899   7.266
    7    HD1  PHE   1           1HD      PHE   1   2.829  10.020   9.057
    8    HD2  PHE   1           2HD      PHE   1  -1.285  10.951   9.625
    9    HE1  PHE   1           1HE      PHE   1   3.262  10.466  11.436
   10    HE2  PHE   1           2HE      PHE   1  -0.858  11.403  12.004
   11    HZ   PHE   1           HZ       PHE   1   1.417  11.161  12.914
   12    HA   PRO   2           HA       PRO   2   0.273  11.740   2.773
   13   1HB   PRO   2          2HB       PRO   2   2.936  11.880   2.211
   14   2HB   PRO   2          1HB       PRO   2   1.953  13.292   2.615
   15   1HG   PRO   2          2HG       PRO   2   3.793  11.700   4.357
   16   2HG   PRO   2          1HG       PRO   2   3.582  13.458   4.262
   17   1HD   PRO   2          2HD       PRO   2   2.469  11.967   6.224
   18   2HD   PRO   2          1HD       PRO   2   1.691  13.428   5.582
   19    H    ARG   3           H        ARG   3   0.363  10.100   1.307
   20    HA   ARG   3           HA       ARG   3   2.224   7.961   1.414
   21   1HB   ARG   3          2HB       ARG   3   0.586   6.144   1.892
   22   2HB   ARG   3          1HB       ARG   3   0.918   7.170   3.280
   23   1HG   ARG   3          2HG       ARG   3  -1.174   8.194   3.178
   24   2HG   ARG   3          1HG       ARG   3  -1.450   7.672   1.517
   25   1HD   ARG   3          2HD       ARG   3  -2.789   6.415   3.179
   26   2HD   ARG   3          1HD       ARG   3  -1.721   5.392   2.219
   27    HE   ARG   3           HE       ARG   3  -0.386   6.106   4.575
   28   1HH1  ARG   3          1HH1      ARG   3  -3.133   4.216   3.544
   29   2HH1  ARG   3          2HH1      ARG   3  -3.002   3.064   4.833
   30   1HH2  ARG   3          1HH2      ARG   3  -0.204   4.598   6.304
   31   2HH2  ARG   3          2HH2      ARG   3  -1.336   3.292   6.418
   32    HA   PRO   4           HA       PRO   4   1.068   7.799  -2.842
   33   1HB   PRO   4          2HB       PRO   4   1.688   4.900  -2.643
   34   2HB   PRO   4          1HB       PRO   4   2.357   6.121  -3.731
   35   1HG   PRO   4          2HG       PRO   4   3.792   5.182  -1.691
   36   2HG   PRO   4          1HG       PRO   4   3.868   6.893  -2.151
   37   1HD   PRO   4          2HD       PRO   4   2.419   5.602   0.124
   38   2HD   PRO   4          1HD       PRO   4   3.293   7.147   0.075
   39    H    ARG   5           H        ARG   5  -0.673   7.215  -4.087
   40    HA   ARG   5           HA       ARG   5  -3.066   6.513  -2.880
   41   1HB   ARG   5          2HB       ARG   5  -2.833   7.682  -5.060
   42   2HB   ARG   5          1HB       ARG   5  -2.341   6.164  -5.794
   43   1HG   ARG   5          2HG       ARG   5  -4.651   6.587  -6.293
   44   2HG   ARG   5          1HG       ARG   5  -4.534   5.200  -5.209
   45   1HD   ARG   5          2HD       ARG   5  -6.351   6.641  -4.513
   46   2HD   ARG   5          1HD       ARG   5  -5.068   6.666  -3.306
   47    HE   ARG   5           HE       ARG   5  -4.850   8.901  -3.660
   48   1HH1  ARG   5          1HH1      ARG   5  -6.485   7.534  -6.443
   49   2HH1  ARG   5          2HH1      ARG   5  -6.725   9.065  -7.217
   50   1HH2  ARG   5          1HH2      ARG   5  -5.173  10.927  -4.676
   51   2HH2  ARG   5          2HH2      ARG   5  -5.978  10.999  -6.209
   52    H    ILE   6           H        ILE   6  -0.653   4.473  -4.381
   53    HA   ILE   6           HA       ILE   6  -2.152   2.107  -4.616
   54    HB   ILE   6           HB       ILE   6   0.811   2.324  -4.124
   55   1HG1  ILE   6          2HG1      ILE   6  -0.677   2.371  -6.761
   56   2HG1  ILE   6          1HG1      ILE   6   0.064   3.773  -5.997
   57   1HG2  ILE   6          1HG2      ILE   6  -0.876   0.095  -4.438
   58   2HG2  ILE   6          2HG2      ILE   6   0.889   0.121  -4.403
   59   3HG2  ILE   6          3HG2      ILE   6   0.035   0.252  -5.941
   60   1HD1  ILE   6          1HD1      ILE   6   2.172   2.097  -6.089
   61   2HD1  ILE   6          2HD1      ILE   6   1.778   3.268  -7.346
   62   3HD1  ILE   6          3HD1      ILE   6   1.283   1.586  -7.523
   63    H    CYS   7           H        CYS   7  -0.270   3.427  -1.958
   64    HA   CYS   7           HA       CYS   7  -0.132   1.213  -0.293
   65   1HB   CYS   7          2HB       CYS   7  -0.391   4.145   0.363
   66   2HB   CYS   7          1HB       CYS   7  -0.083   2.911   1.573
   67    H    ASN   8           H        ASN   8  -2.808   3.280  -1.010
   68    HA   ASN   8           HA       ASN   8  -4.423   2.634   1.224
   69   1HB   ASN   8          2HB       ASN   8  -5.192   3.558  -1.548
   70   2HB   ASN   8          1HB       ASN   8  -6.325   3.413  -0.206
   71   1HD2  ASN   8          1HD2      ASN   8  -4.635   5.570  -1.871
   72   2HD2  ASN   8          2HD2      ASN   8  -4.347   6.764  -0.656
   73    H    LEU   9           H        LEU   9  -4.331   1.273  -2.069
   74    HA   LEU   9           HA       LEU   9  -6.263  -0.726  -1.471
   75   1HB   LEU   9          2HB       LEU   9  -5.639  -1.740  -3.613
   76   2HB   LEU   9          1HB       LEU   9  -5.965  -0.027  -3.763
   77    HG   LEU   9           HG       LEU   9  -3.311   0.107  -3.508
   78   1HD1  LEU   9          1HD1      LEU   9  -3.429  -2.341  -5.172
   79   2HD1  LEU   9          2HD1      LEU   9  -3.479  -2.547  -3.421
   80   3HD1  LEU   9          3HD1      LEU   9  -2.121  -1.708  -4.170
   81   1HD2  LEU   9          1HD2      LEU   9  -3.219   0.498  -5.803
   82   2HD2  LEU   9          2HD2      LEU   9  -4.897   0.838  -5.381
   83   3HD2  LEU   9          3HD2      LEU   9  -4.474  -0.691  -6.153
   84    H    ALA  10           H        ALA  10  -2.828  -0.463  -1.200
   85    HA   ALA  10           HA       ALA  10  -2.154  -3.172  -0.901
   86   1HB   ALA  10          1HB       ALA  10  -0.504  -1.552   0.781
   87   2HB   ALA  10          2HB       ALA  10  -0.820  -0.695  -0.727
   88   3HB   ALA  10          3HB       ALA  10  -0.113  -2.309  -0.764
   89    H    CYS  11           H        CYS  11  -3.075  -0.704   1.497
   90    HA   CYS  11           HA       CYS  11  -2.847  -2.403   3.756
   91   1HB   CYS  11          2HB       CYS  11  -4.720  -0.042   3.446
   92   2HB   CYS  11          1HB       CYS  11  -4.195  -0.760   4.957
   93    H    ARG  12           H        ARG  12  -5.546  -1.590   1.622
   94    HA   ARG  12           HA       ARG  12  -7.579  -2.911   3.011
   95   1HB   ARG  12          2HB       ARG  12  -7.938  -1.262   1.201
   96   2HB   ARG  12          1HB       ARG  12  -7.357  -2.437   0.033
   97   1HG   ARG  12          2HG       ARG  12  -9.689  -3.101   1.779
   98   2HG   ARG  12          1HG       ARG  12  -9.906  -2.077   0.360
   99   1HD   ARG  12          2HD       ARG  12  -8.980  -3.823  -1.061
  100   2HD   ARG  12          1HD       ARG  12  -8.691  -4.840   0.350
  101    HE   ARG  12           HE       ARG  12 -11.416  -4.146   0.239
  102   1HH1  ARG  12          1HH1      ARG  12  -9.053  -6.121  -1.406
  103   2HH1  ARG  12          2HH1      ARG  12 -10.209  -7.284  -1.964
  104   1HH2  ARG  12          1HH2      ARG  12 -12.966  -5.679  -0.491
  105   2HH2  ARG  12          2HH2      ARG  12 -12.447  -7.031  -1.442
  106    H    ALA  13           H        ALA  13  -5.525  -4.082   0.358
  107    HA   ALA  13           HA       ALA  13  -6.709  -6.715   0.514
  108   1HB   ALA  13          1HB       ALA  13  -6.135  -6.532  -1.643
  109   2HB   ALA  13          2HB       ALA  13  -4.530  -7.019  -1.095
  110   3HB   ALA  13          3HB       ALA  13  -4.908  -5.309  -1.311
  111    H    GLY  14           H        GLY  14  -4.632  -5.177   2.422
  112   1HA   GLY  14          2HA       GLY  14  -3.169  -5.841   4.062
  113   2HA   GLY  14          1HA       GLY  14  -3.742  -7.466   3.781
  114    H    ILE  15           H        ILE  15  -2.468  -5.839   1.103
  115    HA   ILE  15           HA       ILE  15  -0.193  -7.649   1.090
  116    HB   ILE  15           HB       ILE  15   0.205  -6.743  -1.223
  117   1HG1  ILE  15          2HG1      ILE  15  -2.459  -5.402  -0.705
  118   2HG1  ILE  15          1HG1      ILE  15  -0.920  -4.588  -0.963
  119   1HG2  ILE  15          1HG2      ILE  15  -2.585  -7.791  -1.096
  120   2HG2  ILE  15          2HG2      ILE  15  -1.259  -8.781  -0.490
  121   3HG2  ILE  15          3HG2      ILE  15  -1.260  -8.241  -2.168
  122   1HD1  ILE  15          1HD1      ILE  15  -1.496  -4.453  -3.096
  123   2HD1  ILE  15          2HD1      ILE  15  -2.836  -5.581  -2.880
  124   3HD1  ILE  15          3HD1      ILE  15  -1.211  -6.191  -3.196
  125    H    GLY  16           H        GLY  16  -0.599  -5.193   2.760
  126   1HA   GLY  16          2HA       GLY  16   1.266  -3.214   1.984
  127   2HA   GLY  16          1HA       GLY  16   0.712  -3.507   3.627
  128    H    HIS  17           H        HIS  17   1.594  -6.167   3.865
  129    HA   HIS  17           HA       HIS  17   4.308  -5.709   4.579
  130   1HB   HIS  17          2HB       HIS  17   2.567  -8.171   4.610
  131   2HB   HIS  17          1HB       HIS  17   4.261  -8.220   5.086
  132    HD1  HIS  17           1HD      HIS  17   2.397  -9.007   7.235
  133    HD2  HIS  17           2HD      HIS  17   3.351  -5.021   6.545
  134    HE1  HIS  17           1HE      HIS  17   1.933  -7.820   9.400
  135    H    LYS  18           H        LYS  18   2.790  -6.719   1.720
  136    HA   LYS  18           HA       LYS  18   5.124  -8.115   0.688
  137   1HB   LYS  18          2HB       LYS  18   2.333  -7.668  -0.300
  138   2HB   LYS  18          1HB       LYS  18   3.591  -8.106  -1.444
  139   1HG   LYS  18          2HG       LYS  18   2.435 -10.084  -0.784
  140   2HG   LYS  18          1HG       LYS  18   4.054 -10.128  -0.089
  141   1HD   LYS  18          2HD       LYS  18   3.175  -9.437   2.066
  142   2HD   LYS  18          1HD       LYS  18   1.556  -9.287   1.379
  143   1HE   LYS  18          2HE       LYS  18   1.832 -11.386   2.618
  144   2HE   LYS  18          1HE       LYS  18   1.508 -11.668   0.908
  145   1HZ   LYS  18          1HZ       LYS  18   3.438 -12.716   0.673
  146   2HZ   LYS  18          2HZ       LYS  18   3.576 -12.716   2.358
  147   3HZ   LYS  18          3HZ       LYS  18   4.305 -11.489   1.450
  148    H    TYR  19           H        TYR  19   3.475  -5.039   0.348
  149    HA   TYR  19           HA       TYR  19   5.147  -4.254  -1.896
  150   1HB   TYR  19          2HB       TYR  19   2.870  -2.962  -0.424
  151   2HB   TYR  19          1HB       TYR  19   3.871  -2.025  -1.527
  152    HD1  TYR  19           1HD      TYR  19   2.136  -1.526  -3.090
  153    HD2  TYR  19           2HD      TYR  19   3.004  -5.572  -2.097
  154    HE1  TYR  19           1HE      TYR  19   0.777  -2.279  -4.993
  155    HE2  TYR  19           2HE      TYR  19   1.647  -6.335  -3.998
  156    HH   TYR  19           HH       TYR  19   0.910  -4.786  -6.470
  157    HA   PRO  20           HA       PRO  20   8.324  -2.782   0.924
  158   1HB   PRO  20          2HB       PRO  20   9.418  -1.713  -1.614
  159   2HB   PRO  20          1HB       PRO  20  10.183  -2.752  -0.409
  160   1HG   PRO  20          2HG       PRO  20   9.401  -3.730  -2.766
  161   2HG   PRO  20          1HG       PRO  20   9.239  -4.681  -1.277
  162   1HD   PRO  20          2HD       PRO  20   7.150  -3.178  -2.804
  163   2HD   PRO  20          1HD       PRO  20   7.041  -4.757  -1.997
  164    H    PHE  21           H        PHE  21   7.101  -0.800  -1.763
  165    HA   PHE  21           HA       PHE  21   7.731   1.656  -0.404
  166   1HB   PHE  21          2HB       PHE  21   6.548   2.700  -2.381
  167   2HB   PHE  21          1HB       PHE  21   7.957   1.718  -2.763
  168    HD1  PHE  21           1HD      PHE  21   4.239   1.502  -2.547
  169    HD2  PHE  21           2HD      PHE  21   7.807   0.096  -4.391
  170    HE1  PHE  21           1HE      PHE  21   2.896   0.186  -4.131
  171    HE2  PHE  21           2HE      PHE  21   6.469  -1.223  -5.979
  172    HZ   PHE  21           HZ       PHE  21   4.011  -1.178  -5.851
  173    H    CYS  22           H        CYS  22   5.371  -0.520   0.126
  174    HA   CYS  22           HA       CYS  22   3.673   1.472   1.401
  175   1HB   CYS  22          2HB       CYS  22   2.675  -0.475  -0.686
  176   2HB   CYS  22          1HB       CYS  22   1.613   0.215   0.533
  177    H    HIS  23           H        HIS  23   5.312   0.112   2.787
  178    HA   HIS  23           HA       HIS  23   4.601  -2.529   3.495
  179   1HB   HIS  23          2HB       HIS  23   6.835  -1.182   3.818
  180   2HB   HIS  23          1HB       HIS  23   6.119  -0.780   5.377
  181    HD1  HIS  23           1HD      HIS  23   6.490  -4.005   3.376
  182    HD2  HIS  23           2HD      HIS  23   6.978  -2.535   7.236
  183    HE1  HIS  23           1HE      HIS  23   7.298  -5.955   4.740
  184    H    CYS  24           H        CYS  24   2.288  -1.400   3.586
  185    HA   CYS  24           HA       CYS  24   1.471  -0.423   6.159
  186   1HB   CYS  24          2HB       CYS  24   0.418   0.058   3.883
  187   2HB   CYS  24          1HB       CYS  24  -0.272  -1.556   3.977
  188    H    ARG  25           H        ARG  25  -0.688  -1.675   6.919
  189    HA   ARG  25           HA       ARG  25   0.206  -3.985   8.242
  190   1HB   ARG  25          2HB       ARG  25  -1.653  -2.528   9.026
  191   2HB   ARG  25          1HB       ARG  25  -2.660  -3.159   7.731
  192   1HG   ARG  25          2HG       ARG  25  -2.459  -5.410   8.691
  193   2HG   ARG  25          1HG       ARG  25  -1.487  -4.749  10.005
  194   1HD   ARG  25          2HD       ARG  25  -3.725  -4.984  10.800
  195   2HD   ARG  25          1HD       ARG  25  -3.410  -3.264  10.578
  196    HE   ARG  25           HE       ARG  25  -4.584  -4.304   8.240
  197   1HH1  ARG  25          1HH1      ARG  25  -5.393  -3.535  11.553
  198   2HH1  ARG  25          2HH1      ARG  25  -7.072  -3.260  11.223
  199   1HH2  ARG  25          1HH2      ARG  25  -6.808  -3.946   7.789
  200   2HH2  ARG  25          2HH2      ARG  25  -7.880  -3.498   9.074
  201   1HN   NH2  26          1H        ARG  25  -1.840  -3.704   5.298
  202   2HN   NH2  26          2H        ARG  25  -2.346  -5.354   5.380
  Start of MODEL   11
    1   1H    PHE   1          1HT       PHE   1   1.547  10.377   8.787
    2   2H    PHE   1          2HT       PHE   1   0.448  10.638   7.529
    3   3H    PHE   1          3HT       PHE   1   1.154  11.955   8.320
    4    HA   PHE   1           HA       PHE   1   2.905  11.943   7.003
    5   1HB   PHE   1          2HB       PHE   1   2.926   8.986   7.630
    6   2HB   PHE   1          1HB       PHE   1   4.128   9.732   6.586
    7    HD1  PHE   1           1HD      PHE   1   2.593  10.577   9.899
    8    HD2  PHE   1           2HD      PHE   1   6.139  10.029   7.610
    9    HE1  PHE   1           1HE      PHE   1   3.949  11.162  11.866
   10    HE2  PHE   1           2HE      PHE   1   7.501  10.613   9.573
   11    HZ   PHE   1           HZ       PHE   1   6.407  11.179  11.705
   12    HA   PRO   2           HA       PRO   2   0.927  11.231   3.095
   13   1HB   PRO   2          2HB       PRO   2   2.885  12.135   1.468
   14   2HB   PRO   2          1HB       PRO   2   1.901  13.221   2.456
   15   1HG   PRO   2          2HG       PRO   2   4.662  12.185   2.956
   16   2HG   PRO   2          1HG       PRO   2   4.019  13.819   3.197
   17   1HD   PRO   2          2HD       PRO   2   4.337  12.023   5.222
   18   2HD   PRO   2          1HD       PRO   2   3.096  13.290   5.230
   19    H    ARG   3           H        ARG   3   0.972   9.776   1.365
   20    HA   ARG   3           HA       ARG   3   3.242   8.189   0.732
   21   1HB   ARG   3          2HB       ARG   3   2.388   6.013   1.467
   22   2HB   ARG   3          1HB       ARG   3   2.660   7.082   2.835
   23   1HG   ARG   3          2HG       ARG   3   0.211   7.588   2.820
   24   2HG   ARG   3          1HG       ARG   3   0.024   6.325   1.599
   25   1HD   ARG   3          2HD       ARG   3   1.023   4.701   3.154
   26   2HD   ARG   3          1HD       ARG   3   1.158   5.965   4.373
   27    HE   ARG   3           HE       ARG   3  -1.114   4.401   3.834
   28   1HH1  ARG   3          1HH1      ARG   3  -0.257   7.720   4.569
   29   2HH1  ARG   3          2HH1      ARG   3  -1.783   8.083   5.301
   30   1HH2  ARG   3          1HH2      ARG   3  -3.120   4.874   4.821
   31   2HH2  ARG   3          2HH2      ARG   3  -3.413   6.460   5.453
   32    HA   PRO   4           HA       PRO   4   1.230   7.766  -3.140
   33   1HB   PRO   4          2HB       PRO   4   1.838   4.851  -2.962
   34   2HB   PRO   4          1HB       PRO   4   2.192   5.998  -4.260
   35   1HG   PRO   4          2HG       PRO   4   4.116   5.188  -2.615
   36   2HG   PRO   4          1HG       PRO   4   4.038   6.875  -3.160
   37   1HD   PRO   4          2HD       PRO   4   3.302   5.698  -0.520
   38   2HD   PRO   4          1HD       PRO   4   4.029   7.275  -0.893
   39    H    ARG   5           H        ARG   5  -0.751   7.306  -3.970
   40    HA   ARG   5           HA       ARG   5  -2.820   6.506  -2.260
   41   1HB   ARG   5          2HB       ARG   5  -2.770   6.720  -5.270
   42   2HB   ARG   5          1HB       ARG   5  -4.229   6.452  -4.328
   43   1HG   ARG   5          2HG       ARG   5  -2.442   8.872  -4.267
   44   2HG   ARG   5          1HG       ARG   5  -4.092   8.772  -4.883
   45   1HD   ARG   5          2HD       ARG   5  -3.208   8.463  -2.015
   46   2HD   ARG   5          1HD       ARG   5  -4.094   9.821  -2.704
   47    HE   ARG   5           HE       ARG   5  -5.180   7.356  -1.773
   48   1HH1  ARG   5          1HH1      ARG   5  -5.670   9.883  -4.159
   49   2HH1  ARG   5          2HH1      ARG   5  -7.359   9.554  -4.341
   50   1HH2  ARG   5          1HH2      ARG   5  -7.387   6.926  -2.007
   51   2HH2  ARG   5          2HH2      ARG   5  -8.344   7.863  -3.110
   52    H    ILE   6           H        ILE   6  -0.736   4.665  -4.301
   53    HA   ILE   6           HA       ILE   6  -2.280   2.363  -4.716
   54    HB   ILE   6           HB       ILE   6   0.704   2.472  -4.274
   55   1HG1  ILE   6          2HG1      ILE   6  -0.833   2.781  -6.865
   56   2HG1  ILE   6          1HG1      ILE   6  -0.058   4.099  -5.991
   57   1HG2  ILE   6          1HG2      ILE   6  -0.362   0.218  -4.271
   58   2HG2  ILE   6          2HG2      ILE   6   0.818   0.453  -5.562
   59   3HG2  ILE   6          3HG2      ILE   6  -0.908   0.527  -5.919
   60   1HD1  ILE   6          1HD1      ILE   6   2.117   2.949  -6.304
   61   2HD1  ILE   6          2HD1      ILE   6   1.343   3.442  -7.810
   62   3HD1  ILE   6          3HD1      ILE   6   1.291   1.754  -7.303
   63    H    CYS   7           H        CYS   7  -0.364   3.462  -2.017
   64    HA   CYS   7           HA       CYS   7  -0.226   1.139  -0.486
   65   1HB   CYS   7          2HB       CYS   7  -0.418   4.033   0.354
   66   2HB   CYS   7          1HB       CYS   7  -0.044   2.714   1.452
   67    H    ASN   8           H        ASN   8  -2.833   3.345  -1.058
   68    HA   ASN   8           HA       ASN   8  -4.495   2.720   1.135
   69   1HB   ASN   8          2HB       ASN   8  -5.210   3.576  -1.678
   70   2HB   ASN   8          1HB       ASN   8  -6.386   3.427  -0.379
   71   1HD2  ASN   8          1HD2      ASN   8  -3.721   4.403   1.168
   72   2HD2  ASN   8          2HD2      ASN   8  -3.926   6.116   1.090
   73    H    LEU   9           H        LEU   9  -4.231   1.312  -2.086
   74    HA   LEU   9           HA       LEU   9  -6.216  -0.687  -1.718
   75   1HB   LEU   9          2HB       LEU   9  -3.918  -1.091  -3.576
   76   2HB   LEU   9          1HB       LEU   9  -5.616  -1.456  -3.817
   77    HG   LEU   9           HG       LEU   9  -4.455   1.324  -3.812
   78   1HD1  LEU   9          1HD1      LEU   9  -4.033  -0.551  -5.740
   79   2HD1  LEU   9          2HD1      LEU   9  -4.069   1.190  -6.019
   80   3HD1  LEU   9          3HD1      LEU   9  -5.512   0.220  -6.314
   81   1HD2  LEU   9          1HD2      LEU   9  -7.160   0.351  -4.726
   82   2HD2  LEU   9          2HD2      LEU   9  -6.592   2.019  -4.673
   83   3HD2  LEU   9          3HD2      LEU   9  -6.849   1.127  -3.173
   84    H    ALA  10           H        ALA  10  -2.760  -0.495  -1.378
   85    HA   ALA  10           HA       ALA  10  -2.120  -3.155  -0.895
   86   1HB   ALA  10          1HB       ALA  10  -0.057  -2.421  -0.164
   87   2HB   ALA  10          2HB       ALA  10  -0.722  -0.975   0.595
   88   3HB   ALA  10          3HB       ALA  10  -0.600  -1.072  -1.162
   89    H    CYS  11           H        CYS  11  -3.102  -0.655   1.459
   90    HA   CYS  11           HA       CYS  11  -2.855  -2.332   3.734
   91   1HB   CYS  11          2HB       CYS  11  -4.843  -0.062   3.474
   92   2HB   CYS  11          1HB       CYS  11  -4.123  -0.687   4.943
   93    H    ARG  12           H        ARG  12  -5.582  -1.559   1.610
   94    HA   ARG  12           HA       ARG  12  -7.596  -2.895   2.999
   95   1HB   ARG  12          2HB       ARG  12  -7.294  -2.326   0.055
   96   2HB   ARG  12          1HB       ARG  12  -8.759  -2.985   0.769
   97   1HG   ARG  12          2HG       ARG  12  -9.004  -0.994   2.142
   98   2HG   ARG  12          1HG       ARG  12  -7.511  -0.336   1.470
   99   1HD   ARG  12          2HD       ARG  12  -9.494   0.622   0.392
  100   2HD   ARG  12          1HD       ARG  12  -8.500  -0.284  -0.747
  101    HE   ARG  12           HE       ARG  12 -10.275  -1.654  -1.116
  102   1HH1  ARG  12          1HH1      ARG  12 -10.792  -0.067   1.964
  103   2HH1  ARG  12          2HH1      ARG  12 -12.340  -0.794   2.227
  104   1HH2  ARG  12          1HH2      ARG  12 -12.324  -2.615  -0.774
  105   2HH2  ARG  12          2HH2      ARG  12 -13.214  -2.247   0.664
  106    H    ALA  13           H        ALA  13  -5.503  -4.087   0.397
  107    HA   ALA  13           HA       ALA  13  -6.665  -6.729   0.572
  108   1HB   ALA  13          1HB       ALA  13  -5.278  -7.313  -1.266
  109   2HB   ALA  13          2HB       ALA  13  -4.224  -5.926  -0.993
  110   3HB   ALA  13          3HB       ALA  13  -5.871  -5.680  -1.575
  111    H    GLY  14           H        GLY  14  -4.644  -5.125   2.481
  112   1HA   GLY  14          2HA       GLY  14  -3.166  -5.713   4.134
  113   2HA   GLY  14          1HA       GLY  14  -3.740  -7.348   3.920
  114    H    ILE  15           H        ILE  15  -2.415  -5.760   1.219
  115    HA   ILE  15           HA       ILE  15  -0.203  -7.637   1.232
  116    HB   ILE  15           HB       ILE  15   0.273  -6.713  -1.064
  117   1HG1  ILE  15          2HG1      ILE  15  -2.384  -5.338  -0.604
  118   2HG1  ILE  15          1HG1      ILE  15  -0.827  -4.538  -0.791
  119   1HG2  ILE  15          1HG2      ILE  15  -0.843  -8.778  -0.941
  120   2HG2  ILE  15          2HG2      ILE  15  -1.791  -7.803  -2.064
  121   3HG2  ILE  15          3HG2      ILE  15  -2.345  -8.027  -0.405
  122   1HD1  ILE  15          1HD1      ILE  15  -1.526  -4.308  -2.910
  123   2HD1  ILE  15          2HD1      ILE  15  -2.627  -5.684  -2.812
  124   3HD1  ILE  15          3HD1      ILE  15  -0.903  -5.950  -3.074
  125    H    GLY  16           H        GLY  16  -0.473  -5.222   2.973
  126   1HA   GLY  16          2HA       GLY  16   1.455  -3.284   2.250
  127   2HA   GLY  16          1HA       GLY  16   0.950  -3.654   3.894
  128    H    HIS  17           H        HIS  17   1.739  -6.457   3.653
  129    HA   HIS  17           HA       HIS  17   4.476  -6.175   4.452
  130   1HB   HIS  17          2HB       HIS  17   2.747  -7.816   5.404
  131   2HB   HIS  17          1HB       HIS  17   3.022  -8.775   3.957
  132    HD1  HIS  17           1HD      HIS  17   5.948  -9.018   3.679
  133    HD2  HIS  17           2HD      HIS  17   4.135  -8.912   7.421
  134    HE1  HIS  17           1HE      HIS  17   7.568 -10.129   5.246
  135    H    LYS  18           H        LYS  18   2.806  -6.947   1.558
  136    HA   LYS  18           HA       LYS  18   5.100  -8.196   0.305
  137   1HB   LYS  18          2HB       LYS  18   2.252  -7.793  -0.420
  138   2HB   LYS  18          1HB       LYS  18   3.406  -7.950  -1.738
  139   1HG   LYS  18          2HG       LYS  18   3.008  -9.934   0.491
  140   2HG   LYS  18          1HG       LYS  18   2.388 -10.087  -1.152
  141   1HD   LYS  18          2HD       LYS  18   5.319  -9.835  -0.485
  142   2HD   LYS  18          1HD       LYS  18   4.492 -11.379  -0.681
  143   1HE   LYS  18          2HE       LYS  18   5.486 -10.980  -2.762
  144   2HE   LYS  18          1HE       LYS  18   3.801 -10.520  -2.987
  145   1HZ   LYS  18          1HZ       LYS  18   5.798  -8.993  -3.761
  146   2HZ   LYS  18          2HZ       LYS  18   5.662  -8.414  -2.178
  147   3HZ   LYS  18          3HZ       LYS  18   4.332  -8.343  -3.221
  148    H    TYR  19           H        TYR  19   3.533  -5.075   0.342
  149    HA   TYR  19           HA       TYR  19   5.153  -4.180  -1.924
  150   1HB   TYR  19          2HB       TYR  19   2.823  -2.993  -0.442
  151   2HB   TYR  19          1HB       TYR  19   3.818  -2.003  -1.503
  152    HD1  TYR  19           1HD      TYR  19   2.177  -1.495  -3.141
  153    HD2  TYR  19           2HD      TYR  19   2.958  -5.551  -2.124
  154    HE1  TYR  19           1HE      TYR  19   0.866  -2.230  -5.085
  155    HE2  TYR  19           2HE      TYR  19   1.648  -6.296  -4.063
  156    HH   TYR  19           HH       TYR  19   0.311  -3.986  -6.376
  157    HA   PRO  20           HA       PRO  20   8.224  -2.782   1.061
  158   1HB   PRO  20          2HB       PRO  20   9.440  -1.697  -1.413
  159   2HB   PRO  20          1HB       PRO  20  10.139  -2.761  -0.188
  160   1HG   PRO  20          2HG       PRO  20   9.452  -3.696  -2.593
  161   2HG   PRO  20          1HG       PRO  20   9.220  -4.667  -1.128
  162   1HD   PRO  20          2HD       PRO  20   7.211  -3.120  -2.718
  163   2HD   PRO  20          1HD       PRO  20   7.054  -4.713  -1.948
  164    H    PHE  21           H        PHE  21   7.125  -0.785  -1.666
  165    HA   PHE  21           HA       PHE  21   7.692   1.663  -0.266
  166   1HB   PHE  21          2HB       PHE  21   6.576   2.709  -2.293
  167   2HB   PHE  21          1HB       PHE  21   8.028   1.766  -2.603
  168    HD1  PHE  21           1HD      PHE  21   4.312   1.380  -2.534
  169    HD2  PHE  21           2HD      PHE  21   8.007   0.227  -4.303
  170    HE1  PHE  21           1HE      PHE  21   3.094   0.040  -4.198
  171    HE2  PHE  21           2HE      PHE  21   6.793  -1.114  -5.971
  172    HZ   PHE  21           HZ       PHE  21   4.333  -1.208  -5.920
  173    H    CYS  22           H        CYS  22   5.354  -0.519   0.196
  174    HA   CYS  22           HA       CYS  22   3.559   1.478   1.327
  175   1HB   CYS  22          2HB       CYS  22   2.713  -0.592  -0.703
  176   2HB   CYS  22          1HB       CYS  22   1.578   0.094   0.451
  177    H    HIS  23           H        HIS  23   5.201   0.222   2.832
  178    HA   HIS  23           HA       HIS  23   4.469  -2.383   3.683
  179   1HB   HIS  23          2HB       HIS  23   6.735  -1.221   3.940
  180   2HB   HIS  23          1HB       HIS  23   6.027  -0.398   5.328
  181    HD1  HIS  23           1HD      HIS  23   6.072  -4.033   4.193
  182    HD2  HIS  23           2HD      HIS  23   6.777  -1.708   7.565
  183    HE1  HIS  23           1HE      HIS  23   6.706  -5.654   6.008
  184    H    CYS  24           H        CYS  24   2.171  -1.258   3.647
  185    HA   CYS  24           HA       CYS  24   1.327  -0.043   6.102
  186   1HB   CYS  24          2HB       CYS  24   0.334   0.230   3.754
  187   2HB   CYS  24          1HB       CYS  24  -0.426  -1.333   4.024
  188    H    ARG  25           H        ARG  25  -0.748  -1.104   7.099
  189    HA   ARG  25           HA       ARG  25  -0.743  -3.967   7.271
  190   1HB   ARG  25          2HB       ARG  25   1.210  -3.315   8.712
  191   2HB   ARG  25          1HB       ARG  25   0.094  -2.423   9.735
  192   1HG   ARG  25          2HG       ARG  25  -1.127  -4.553  10.148
  193   2HG   ARG  25          1HG       ARG  25   0.144  -5.394   9.258
  194   1HD   ARG  25          2HD       ARG  25   0.537  -5.507  11.662
  195   2HD   ARG  25          1HD       ARG  25   1.805  -4.586  10.856
  196    HE   ARG  25           HE       ARG  25   1.229  -2.800  12.133
  197   1HH1  ARG  25          1HH1      ARG  25  -1.530  -4.956  12.036
  198   2HH1  ARG  25          2HH1      ARG  25  -2.499  -3.975  13.083
  199   1HH2  ARG  25          1HH2      ARG  25  -0.045  -1.506  13.527
  200   2HH2  ARG  25          2HH2      ARG  25  -1.651  -2.008  13.934
  201   1HN   NH2  26          1H        ARG  25  -3.971  -2.377   7.645
  202   2HN   NH2  26          2H        ARG  25  -2.917  -3.220   6.566
  Start of MODEL   12
    1   1H    PHE   1          1HT       PHE   1   1.598  15.325   4.587
    2   2H    PHE   1          2HT       PHE   1   1.136  14.885   3.021
    3   3H    PHE   1          3HT       PHE   1   2.075  16.270   3.268
    4    HA   PHE   1           HA       PHE   1   3.971  15.145   3.322
    5   1HB   PHE   1          2HB       PHE   1   2.400  13.148   4.966
    6   2HB   PHE   1          1HB       PHE   1   4.088  12.903   4.539
    7    HD1  PHE   1           1HD      PHE   1   2.033  15.719   5.913
    8    HD2  PHE   1           2HD      PHE   1   5.549  13.344   6.226
    9    HE1  PHE   1           1HE      PHE   1   2.727  17.014   7.886
   10    HE2  PHE   1           2HE      PHE   1   6.249  14.633   8.200
   11    HZ   PHE   1           HZ       PHE   1   4.837  16.470   9.033
   12    HA   PRO   2           HA       PRO   2   3.362  12.848  -0.416
   13   1HB   PRO   2          2HB       PRO   2   6.128  11.896  -0.120
   14   2HB   PRO   2          1HB       PRO   2   5.425  12.921  -1.374
   15   1HG   PRO   2          2HG       PRO   2   7.130  13.895   0.463
   16   2HG   PRO   2          1HG       PRO   2   5.786  14.859  -0.176
   17   1HD   PRO   2          2HD       PRO   2   5.998  13.400   2.431
   18   2HD   PRO   2          1HD       PRO   2   5.324  15.009   2.093
   19    H    ARG   3           H        ARG   3   2.671  10.840  -0.903
   20    HA   ARG   3           HA       ARG   3   3.764   8.471   0.235
   21   1HB   ARG   3          2HB       ARG   3   1.728   7.721   1.420
   22   2HB   ARG   3          1HB       ARG   3   2.452   9.135   2.173
   23   1HG   ARG   3          2HG       ARG   3   0.772  10.566   1.205
   24   2HG   ARG   3          1HG       ARG   3   0.093   9.212   0.302
   25   1HD   ARG   3          2HD       ARG   3   0.202   9.445   3.307
   26   2HD   ARG   3          1HD       ARG   3  -1.222   9.728   2.305
   27    HE   ARG   3           HE       ARG   3  -0.202   7.157   1.780
   28   1HH1  ARG   3          1HH1      ARG   3  -1.865   8.941   4.284
   29   2HH1  ARG   3          2HH1      ARG   3  -2.656   7.549   4.940
   30   1HH2  ARG   3          1HH2      ARG   3  -1.242   5.303   2.641
   31   2HH2  ARG   3          2HH2      ARG   3  -2.302   5.468   4.000
   32    HA   PRO   4           HA       PRO   4   2.131   7.046  -3.611
   33   1HB   PRO   4          2HB       PRO   4   2.228   4.341  -2.439
   34   2HB   PRO   4          1HB       PRO   4   3.090   4.990  -3.838
   35   1HG   PRO   4          2HG       PRO   4   4.353   4.465  -1.531
   36   2HG   PRO   4          1HG       PRO   4   4.808   5.843  -2.551
   37   1HD   PRO   4          2HD       PRO   4   3.172   5.798  -0.041
   38   2HD   PRO   4          1HD       PRO   4   4.413   6.960  -0.558
   39    H    ARG   5           H        ARG   5   0.120   6.818  -4.369
   40    HA   ARG   5           HA       ARG   5  -2.098   6.588  -2.615
   41   1HB   ARG   5          2HB       ARG   5  -1.950   6.466  -5.632
   42   2HB   ARG   5          1HB       ARG   5  -3.451   6.523  -4.717
   43   1HG   ARG   5          2HG       ARG   5  -2.762   8.693  -3.775
   44   2HG   ARG   5          1HG       ARG   5  -1.307   8.638  -4.770
   45   1HD   ARG   5          2HD       ARG   5  -2.691   8.590  -6.788
   46   2HD   ARG   5          1HD       ARG   5  -4.147   8.633  -5.795
   47    HE   ARG   5           HE       ARG   5  -2.537  10.844  -6.559
   48   1HH1  ARG   5          1HH1      ARG   5  -4.545   9.646  -3.948
   49   2HH1  ARG   5          2HH1      ARG   5  -4.865  11.219  -3.299
   50   1HH2  ARG   5          1HH2      ARG   5  -2.958  12.924  -5.704
   51   2HH2  ARG   5          2HH2      ARG   5  -3.960  13.088  -4.300
   52    H    ILE   6           H        ILE   6  -0.223   4.330  -4.397
   53    HA   ILE   6           HA       ILE   6  -1.988   2.179  -4.686
   54    HB   ILE   6           HB       ILE   6   0.959   2.005  -4.087
   55   1HG1  ILE   6          2HG1      ILE   6   0.574   3.570  -5.935
   56   2HG1  ILE   6          1HG1      ILE   6   1.319   2.087  -6.522
   57   1HG2  ILE   6          1HG2      ILE   6  -0.411  -0.105  -4.029
   58   2HG2  ILE   6          2HG2      ILE   6   0.936  -0.105  -5.169
   59   3HG2  ILE   6          3HG2      ILE   6  -0.712   0.137  -5.750
   60   1HD1  ILE   6          1HD1      ILE   6  -1.567   2.894  -6.777
   61   2HD1  ILE   6          2HD1      ILE   6  -0.930   1.315  -7.237
   62   3HD1  ILE   6          3HD1      ILE   6  -0.370   2.768  -8.065
   63    H    CYS   7           H        CYS   7  -0.164   3.336  -1.950
   64    HA   CYS   7           HA       CYS   7  -0.172   1.162  -0.252
   65   1HB   CYS   7          2HB       CYS   7  -0.489   4.096   0.374
   66   2HB   CYS   7          1HB       CYS   7  -0.194   2.863   1.588
   67    H    ASN   8           H        ASN   8  -2.772   3.256  -1.158
   68    HA   ASN   8           HA       ASN   8  -4.588   2.776   0.931
   69   1HB   ASN   8          2HB       ASN   8  -4.849   4.483  -0.893
   70   2HB   ASN   8          1HB       ASN   8  -5.291   3.178  -1.980
   71   1HD2  ASN   8          1HD2      ASN   8  -7.388   3.101  -2.298
   72   2HD2  ASN   8          2HD2      ASN   8  -8.610   3.399  -1.114
   73    H    LEU   9           H        LEU   9  -4.365   1.205  -2.239
   74    HA   LEU   9           HA       LEU   9  -6.244  -0.822  -1.576
   75   1HB   LEU   9          2HB       LEU   9  -5.564  -1.902  -3.673
   76   2HB   LEU   9          1HB       LEU   9  -5.941  -0.207  -3.887
   77    HG   LEU   9           HG       LEU   9  -3.296   0.018  -3.606
   78   1HD1  LEU   9          1HD1      LEU   9  -3.439  -2.562  -5.107
   79   2HD1  LEU   9          2HD1      LEU   9  -3.257  -2.563  -3.353
   80   3HD1  LEU   9          3HD1      LEU   9  -2.049  -1.770  -4.365
   81   1HD2  LEU   9          1HD2      LEU   9  -5.005   0.489  -5.563
   82   2HD2  LEU   9          2HD2      LEU   9  -4.204  -0.913  -6.275
   83   3HD2  LEU   9          3HD2      LEU   9  -3.262   0.511  -5.830
   84    H    ALA  10           H        ALA  10  -2.816  -0.481  -1.264
   85    HA   ALA  10           HA       ALA  10  -2.093  -3.169  -0.896
   86   1HB   ALA  10          1HB       ALA  10  -0.289  -1.939   0.653
   87   2HB   ALA  10          2HB       ALA  10  -0.888  -0.548  -0.251
   88   3HB   ALA  10          3HB       ALA  10  -0.210  -1.931  -1.109
   89    H    CYS  11           H        CYS  11  -3.079  -0.688   1.462
   90    HA   CYS  11           HA       CYS  11  -2.868  -2.387   3.728
   91   1HB   CYS  11          2HB       CYS  11  -4.626   0.059   3.360
   92   2HB   CYS  11          1HB       CYS  11  -4.228  -0.695   4.894
   93    H    ARG  12           H        ARG  12  -5.520  -1.532   1.556
   94    HA   ARG  12           HA       ARG  12  -7.612  -2.759   2.932
   95   1HB   ARG  12          2HB       ARG  12  -7.988  -1.209   1.094
   96   2HB   ARG  12          1HB       ARG  12  -7.274  -2.347  -0.039
   97   1HG   ARG  12          2HG       ARG  12  -9.704  -2.357  -0.176
   98   2HG   ARG  12          1HG       ARG  12  -9.086  -3.919   0.367
   99   1HD   ARG  12          2HD       ARG  12  -9.554  -3.215   2.710
  100   2HD   ARG  12          1HD       ARG  12 -10.309  -1.754   2.076
  101    HE   ARG  12           HE       ARG  12 -11.453  -4.358   2.218
  102   1HH1  ARG  12          1HH1      ARG  12 -11.467  -1.400   0.343
  103   2HH1  ARG  12          2HH1      ARG  12 -13.034  -1.683  -0.336
  104   1HH2  ARG  12          1HH2      ARG  12 -13.526  -4.736   1.326
  105   2HH2  ARG  12          2HH2      ARG  12 -14.211  -3.585   0.227
  106    H    ALA  13           H        ALA  13  -5.467  -4.099   0.445
  107    HA   ALA  13           HA       ALA  13  -6.743  -6.695   0.686
  108   1HB   ALA  13          1HB       ALA  13  -5.644  -7.307  -1.238
  109   2HB   ALA  13          2HB       ALA  13  -4.255  -6.275  -0.900
  110   3HB   ALA  13          3HB       ALA  13  -5.766  -5.562  -1.466
  111    H    GLY  14           H        GLY  14  -4.643  -5.095   2.514
  112   1HA   GLY  14          2HA       GLY  14  -3.180  -5.693   4.179
  113   2HA   GLY  14          1HA       GLY  14  -3.772  -7.325   3.981
  114    H    ILE  15           H        ILE  15  -2.481  -5.820   1.234
  115    HA   ILE  15           HA       ILE  15  -0.245  -7.674   1.263
  116    HB   ILE  15           HB       ILE  15   0.164  -6.825  -1.074
  117   1HG1  ILE  15          2HG1      ILE  15  -2.485  -5.441  -0.590
  118   2HG1  ILE  15          1HG1      ILE  15  -0.937  -4.646  -0.849
  119   1HG2  ILE  15          1HG2      ILE  15  -2.639  -7.825  -0.912
  120   2HG2  ILE  15          2HG2      ILE  15  -1.328  -8.820  -0.282
  121   3HG2  ILE  15          3HG2      ILE  15  -1.323  -8.325  -1.974
  122   1HD1  ILE  15          1HD1      ILE  15  -2.327  -4.598  -2.845
  123   2HD1  ILE  15          2HD1      ILE  15  -2.386  -6.361  -2.853
  124   3HD1  ILE  15          3HD1      ILE  15  -0.853  -5.529  -3.112
  125    H    GLY  16           H        GLY  16  -0.524  -5.226   2.934
  126   1HA   GLY  16          2HA       GLY  16   1.329  -3.263   2.101
  127   2HA   GLY  16          1HA       GLY  16   0.859  -3.584   3.766
  128    H    HIS  17           H        HIS  17   1.749  -6.358   3.663
  129    HA   HIS  17           HA       HIS  17   4.480  -5.909   4.383
  130   1HB   HIS  17          2HB       HIS  17   2.823  -8.427   4.211
  131   2HB   HIS  17          1HB       HIS  17   4.509  -8.423   4.714
  132    HD1  HIS  17           1HD      HIS  17   2.899  -9.511   6.823
  133    HD2  HIS  17           2HD      HIS  17   3.163  -5.390   6.337
  134    HE1  HIS  17           1HE      HIS  17   2.255  -8.527   9.045
  135    H    LYS  18           H        LYS  18   2.822  -6.948   1.572
  136    HA   LYS  18           HA       LYS  18   5.117  -8.162   0.324
  137   1HB   LYS  18          2HB       LYS  18   2.946  -9.062  -0.200
  138   2HB   LYS  18          1HB       LYS  18   2.356  -7.481  -0.692
  139   1HG   LYS  18          2HG       LYS  18   3.920  -7.494  -2.579
  140   2HG   LYS  18          1HG       LYS  18   4.474  -9.098  -2.094
  141   1HD   LYS  18          2HD       LYS  18   2.293 -10.030  -2.494
  142   2HD   LYS  18          1HD       LYS  18   1.623  -8.427  -2.807
  143   1HE   LYS  18          2HE       LYS  18   2.052  -9.685  -4.878
  144   2HE   LYS  18          1HE       LYS  18   2.998  -8.200  -4.784
  145   1HZ   LYS  18          1HZ       LYS  18   4.936  -9.416  -4.255
  146   2HZ   LYS  18          2HZ       LYS  18   4.228 -10.215  -5.566
  147   3HZ   LYS  18          3HZ       LYS  18   4.073 -10.850  -4.006
  148    H    TYR  19           H        TYR  19   3.452  -5.069   0.230
  149    HA   TYR  19           HA       TYR  19   5.108  -4.150  -1.980
  150   1HB   TYR  19          2HB       TYR  19   2.806  -2.937  -0.472
  151   2HB   TYR  19          1HB       TYR  19   3.777  -1.982  -1.586
  152    HD1  TYR  19           1HD      TYR  19   2.841  -5.542  -2.046
  153    HD2  TYR  19           2HD      TYR  19   2.144  -1.519  -3.235
  154    HE1  TYR  19           1HE      TYR  19   1.482  -6.343  -3.926
  155    HE2  TYR  19           2HE      TYR  19   0.779  -2.311  -5.121
  156    HH   TYR  19           HH       TYR  19  -0.218  -4.094  -6.056
  157    HA   PRO  20           HA       PRO  20   8.228  -2.787   0.965
  158   1HB   PRO  20          2HB       PRO  20   9.380  -1.658  -1.522
  159   2HB   PRO  20          1HB       PRO  20  10.118  -2.724  -0.323
  160   1HG   PRO  20          2HG       PRO  20   9.390  -3.650  -2.716
  161   2HG   PRO  20          1HG       PRO  20   9.187  -4.632  -1.252
  162   1HD   PRO  20          2HD       PRO  20   7.143  -3.088  -2.799
  163   2HD   PRO  20          1HD       PRO  20   7.007  -4.683  -2.030
  164    H    PHE  21           H        PHE  21   7.063  -0.724  -1.689
  165    HA   PHE  21           HA       PHE  21   7.699   1.693  -0.272
  166   1HB   PHE  21          2HB       PHE  21   6.476   2.780  -2.216
  167   2HB   PHE  21          1HB       PHE  21   7.905   1.840  -2.620
  168    HD1  PHE  21           1HD      PHE  21   4.197   1.476  -2.370
  169    HD2  PHE  21           2HD      PHE  21   7.789   0.320  -4.336
  170    HE1  PHE  21           1HE      PHE  21   2.885   0.171  -3.990
  171    HE2  PHE  21           2HE      PHE  21   6.482  -0.987  -5.959
  172    HZ   PHE  21           HZ       PHE  21   4.028  -1.061  -5.788
  173    H    CYS  22           H        CYS  22   5.362  -0.486   0.251
  174    HA   CYS  22           HA       CYS  22   3.664   1.473   1.573
  175   1HB   CYS  22          2HB       CYS  22   2.641  -0.494  -0.487
  176   2HB   CYS  22          1HB       CYS  22   1.601   0.253   0.718
  177    H    HIS  23           H        HIS  23   5.312   0.139   2.950
  178    HA   HIS  23           HA       HIS  23   4.703  -2.526   3.646
  179   1HB   HIS  23          2HB       HIS  23   6.896  -1.239   3.988
  180   2HB   HIS  23          1HB       HIS  23   6.145  -0.583   5.437
  181    HD1  HIS  23           1HD      HIS  23   8.404  -1.979   6.339
  182    HD2  HIS  23           2HD      HIS  23   5.039  -4.152   5.231
  183    HE1  HIS  23           1HE      HIS  23   8.670  -4.229   7.427
  184    H    CYS  24           H        CYS  24   2.337  -1.561   3.700
  185    HA   CYS  24           HA       CYS  24   1.433  -0.600   6.259
  186   1HB   CYS  24          2HB       CYS  24   0.422  -0.194   3.920
  187   2HB   CYS  24          1HB       CYS  24  -0.273  -1.800   4.094
  188    H    ARG  25           H        ARG  25  -0.782  -1.968   6.769
  189    HA   ARG  25           HA       ARG  25   0.165  -4.281   8.140
  190   1HB   ARG  25          2HB       ARG  25  -2.665  -3.297   7.724
  191   2HB   ARG  25          1HB       ARG  25  -2.172  -4.530   8.877
  192   1HG   ARG  25          2HG       ARG  25  -0.834  -2.897  10.081
  193   2HG   ARG  25          1HG       ARG  25  -1.270  -1.657   8.906
  194   1HD   ARG  25          2HD       ARG  25  -3.628  -1.904   9.529
  195   2HD   ARG  25          1HD       ARG  25  -3.184  -3.136  10.710
  196    HE   ARG  25           HE       ARG  25  -2.620  -1.473  12.153
  197   1HH1  ARG  25          1HH1      ARG  25  -2.636  -0.115   8.922
  198   2HH1  ARG  25          2HH1      ARG  25  -2.268   1.490   9.454
  199   1HH2  ARG  25          1HH2      ARG  25  -2.134   0.648  12.859
  200   2HH2  ARG  25          2HH2      ARG  25  -1.984   1.926  11.699
  201   1HN   NH2  26          1H        ARG  25  -1.175  -6.374   7.992
  202   2HN   NH2  26          2H        ARG  25  -1.653  -6.931   6.427
  Start of MODEL   13
    1   1H    PHE   1          1HT       PHE   1   3.502  17.218   0.479
    2   2H    PHE   1          2HT       PHE   1   2.613  16.897   1.882
    3   3H    PHE   1          3HT       PHE   1   2.192  16.147   0.425
    4    HA   PHE   1           HA       PHE   1   4.914  15.685   1.225
    5   1HB   PHE   1          2HB       PHE   1   3.790  15.747   3.423
    6   2HB   PHE   1          1HB       PHE   1   2.590  14.597   2.844
    7    HD1  PHE   1           1HD      PHE   1   6.319  14.850   2.993
    8    HD2  PHE   1           2HD      PHE   1   2.852  12.448   3.569
    9    HE1  PHE   1           1HE      PHE   1   7.738  12.990   3.754
   10    HE2  PHE   1           2HE      PHE   1   4.265  10.585   4.331
   11    HZ   PHE   1           HZ       PHE   1   6.712  10.854   4.425
   12    HA   PRO   2           HA       PRO   2   3.824  12.800  -2.011
   13   1HB   PRO   2          2HB       PRO   2   6.188  11.454  -2.086
   14   2HB   PRO   2          1HB       PRO   2   5.962  13.048  -2.813
   15   1HG   PRO   2          2HG       PRO   2   7.197  12.318  -0.190
   16   2HG   PRO   2          1HG       PRO   2   7.726  13.519  -1.382
   17   1HD   PRO   2          2HD       PRO   2   6.380  14.184   0.877
   18   2HD   PRO   2          1HD       PRO   2   6.229  15.101  -0.635
   19    H    ARG   3           H        ARG   3   2.874  10.842  -1.987
   20    HA   ARG   3           HA       ARG   3   3.722   8.725  -0.251
   21   1HB   ARG   3          2HB       ARG   3   2.279  10.313   1.180
   22   2HB   ARG   3          1HB       ARG   3   0.924   9.762   0.207
   23   1HG   ARG   3          2HG       ARG   3   2.640   7.710   1.494
   24   2HG   ARG   3          1HG       ARG   3   1.544   8.640   2.513
   25   1HD   ARG   3          2HD       ARG   3   0.718   7.117   0.045
   26   2HD   ARG   3          1HD       ARG   3   0.583   6.502   1.692
   27    HE   ARG   3           HE       ARG   3  -0.709   9.024   1.412
   28   1HH1  ARG   3          1HH1      ARG   3  -1.086   5.622   0.719
   29   2HH1  ARG   3          2HH1      ARG   3  -2.824   5.665   0.774
   30   1HH2  ARG   3          1HH2      ARG   3  -3.010   9.093   1.461
   31   2HH2  ARG   3          2HH2      ARG   3  -3.911   7.634   1.189
   32    HA   PRO   4           HA       PRO   4   2.210   6.726  -3.914
   33   1HB   PRO   4          2HB       PRO   4   2.305   4.296  -2.224
   34   2HB   PRO   4          1HB       PRO   4   3.095   4.626  -3.769
   35   1HG   PRO   4          2HG       PRO   4   4.490   4.589  -1.493
   36   2HG   PRO   4          1HG       PRO   4   4.859   5.756  -2.777
   37   1HD   PRO   4          2HD       PRO   4   3.376   6.164  -0.211
   38   2HD   PRO   4          1HD       PRO   4   4.539   7.232  -1.023
   39    H    ARG   5           H        ARG   5   0.201   6.622  -4.599
   40    HA   ARG   5           HA       ARG   5  -2.036   6.493  -2.851
   41   1HB   ARG   5          2HB       ARG   5  -3.389   6.482  -4.914
   42   2HB   ARG   5          1HB       ARG   5  -2.166   7.744  -4.933
   43   1HG   ARG   5          2HG       ARG   5  -0.755   6.343  -6.367
   44   2HG   ARG   5          1HG       ARG   5  -2.007   5.101  -6.366
   45   1HD   ARG   5          2HD       ARG   5  -2.346   7.922  -7.383
   46   2HD   ARG   5          1HD       ARG   5  -2.058   6.507  -8.393
   47    HE   ARG   5           HE       ARG   5  -4.307   5.995  -6.822
   48   1HH1  ARG   5          1HH1      ARG   5  -3.333   8.148  -9.402
   49   2HH1  ARG   5          2HH1      ARG   5  -4.930   8.307 -10.055
   50   1HH2  ARG   5          1HH2      ARG   5  -6.429   6.199  -7.680
   51   2HH2  ARG   5          2HH2      ARG   5  -6.697   7.196  -9.071
   52    H    ILE   6           H        ILE   6  -0.112   4.154  -4.386
   53    HA   ILE   6           HA       ILE   6  -1.939   2.030  -4.690
   54    HB   ILE   6           HB       ILE   6   0.996   1.795  -4.057
   55   1HG1  ILE   6          2HG1      ILE   6  -0.311   2.128  -6.770
   56   2HG1  ILE   6          1HG1      ILE   6   0.597   3.380  -5.928
   57   1HG2  ILE   6          1HG2      ILE   6  -0.288  -0.053  -5.949
   58   2HG2  ILE   6          2HG2      ILE   6  -0.847  -0.178  -4.281
   59   3HG2  ILE   6          3HG2      ILE   6   0.866  -0.373  -4.654
   60   1HD1  ILE   6          1HD1      ILE   6   2.084   0.897  -6.231
   61   2HD1  ILE   6          2HD1      ILE   6   2.549   2.557  -6.606
   62   3HD1  ILE   6          3HD1      ILE   6   1.604   1.621  -7.765
   63    H    CYS   7           H        CYS   7  -0.068   3.221  -1.997
   64    HA   CYS   7           HA       CYS   7  -0.144   1.111  -0.225
   65   1HB   CYS   7          2HB       CYS   7  -0.420   4.064   0.339
   66   2HB   CYS   7          1HB       CYS   7  -0.095   2.848   1.559
   67    H    ASN   8           H        ASN   8  -2.684   3.273  -1.174
   68    HA   ASN   8           HA       ASN   8  -4.485   2.853   0.946
   69   1HB   ASN   8          2HB       ASN   8  -5.092   3.455  -1.957
   70   2HB   ASN   8          1HB       ASN   8  -6.259   3.550  -0.644
   71   1HD2  ASN   8          1HD2      ASN   8  -4.743   5.461  -2.577
   72   2HD2  ASN   8          2HD2      ASN   8  -4.338   6.785  -1.543
   73    H    LEU   9           H        LEU   9  -4.238   1.183  -2.191
   74    HA   LEU   9           HA       LEU   9  -6.251  -0.717  -1.471
   75   1HB   LEU   9          2HB       LEU   9  -5.643  -1.870  -3.558
   76   2HB   LEU   9          1HB       LEU   9  -5.986  -0.170  -3.799
   77    HG   LEU   9           HG       LEU   9  -3.326  -0.011  -3.574
   78   1HD1  LEU   9          1HD1      LEU   9  -2.144  -1.845  -4.298
   79   2HD1  LEU   9          2HD1      LEU   9  -3.551  -2.588  -5.058
   80   3HD1  LEU   9          3HD1      LEU   9  -3.386  -2.605  -3.302
   81   1HD2  LEU   9          1HD2      LEU   9  -3.423  -0.509  -6.181
   82   2HD2  LEU   9          2HD2      LEU   9  -4.134   0.939  -5.469
   83   3HD2  LEU   9          3HD2      LEU   9  -5.156  -0.443  -5.863
   84    H    ALA  10           H        ALA  10  -2.812  -0.496  -1.229
   85    HA   ALA  10           HA       ALA  10  -2.148  -3.185  -0.848
   86   1HB   ALA  10          1HB       ALA  10  -0.473  -1.447  -1.208
   87   2HB   ALA  10          2HB       ALA  10  -0.132  -2.362   0.260
   88   3HB   ALA  10          3HB       ALA  10  -0.844  -0.753   0.369
   89    H    CYS  11           H        CYS  11  -3.106  -0.697   1.512
   90    HA   CYS  11           HA       CYS  11  -2.868  -2.361   3.791
   91   1HB   CYS  11          2HB       CYS  11  -4.736  -0.002   3.414
   92   2HB   CYS  11          1HB       CYS  11  -4.257  -0.704   4.949
   93    H    ARG  12           H        ARG  12  -5.567  -1.587   1.650
   94    HA   ARG  12           HA       ARG  12  -7.606  -2.881   3.044
   95   1HB   ARG  12          2HB       ARG  12  -8.019  -1.311   1.217
   96   2HB   ARG  12          1HB       ARG  12  -7.327  -2.447   0.068
   97   1HG   ARG  12          2HG       ARG  12  -9.127  -4.038   0.584
   98   2HG   ARG  12          1HG       ARG  12  -9.832  -2.858   1.690
   99   1HD   ARG  12          2HD       ARG  12  -9.402  -2.458  -1.268
  100   2HD   ARG  12          1HD       ARG  12 -10.940  -2.850  -0.502
  101    HE   ARG  12           HE       ARG  12  -9.919  -0.532   0.694
  102   1HH1  ARG  12          1HH1      ARG  12 -11.194  -1.595  -2.382
  103   2HH1  ARG  12          2HH1      ARG  12 -11.820  -0.039  -2.815
  104   1HH2  ARG  12          1HH2      ARG  12 -10.741   1.538   0.132
  105   2HH2  ARG  12          2HH2      ARG  12 -11.562   1.750  -1.378
  106    H    ALA  13           H        ALA  13  -5.550  -4.132   0.427
  107    HA   ALA  13           HA       ALA  13  -6.746  -6.756   0.671
  108   1HB   ALA  13          1HB       ALA  13  -5.917  -5.623  -1.494
  109   2HB   ALA  13          2HB       ALA  13  -5.607  -7.343  -1.263
  110   3HB   ALA  13          3HB       ALA  13  -4.322  -6.170  -0.978
  111    H    GLY  14           H        GLY  14  -4.653  -5.192   2.519
  112   1HA   GLY  14          2HA       GLY  14  -3.123  -5.816   4.113
  113   2HA   GLY  14          1HA       GLY  14  -3.715  -7.444   3.891
  114    H    ILE  15           H        ILE  15  -2.475  -5.815   1.180
  115    HA   ILE  15           HA       ILE  15  -0.226  -7.666   1.118
  116    HB   ILE  15           HB       ILE  15   0.119  -6.799  -1.219
  117   1HG1  ILE  15          2HG1      ILE  15  -2.538  -5.449  -0.686
  118   2HG1  ILE  15          1HG1      ILE  15  -0.999  -4.629  -0.929
  119   1HG2  ILE  15          1HG2      ILE  15  -2.237  -7.814  -1.952
  120   2HG2  ILE  15          2HG2      ILE  15  -2.239  -8.307  -0.260
  121   3HG2  ILE  15          3HG2      ILE  15  -0.923  -8.808  -1.324
  122   1HD1  ILE  15          1HD1      ILE  15  -2.742  -6.012  -2.906
  123   2HD1  ILE  15          2HD1      ILE  15  -1.008  -5.891  -3.205
  124   3HD1  ILE  15          3HD1      ILE  15  -1.970  -4.428  -2.992
  125    H    GLY  16           H        GLY  16  -0.604  -5.160   2.744
  126   1HA   GLY  16          2HA       GLY  16   1.232  -3.194   1.907
  127   2HA   GLY  16          1HA       GLY  16   0.758  -3.497   3.575
  128    H    HIS  17           H        HIS  17   1.672  -6.040   3.956
  129    HA   HIS  17           HA       HIS  17   4.414  -5.589   4.443
  130   1HB   HIS  17          2HB       HIS  17   4.481  -7.951   5.204
  131   2HB   HIS  17          1HB       HIS  17   3.182  -7.023   5.936
  132    HD1  HIS  17           1HD      HIS  17   2.581  -9.756   6.311
  133    HD2  HIS  17           2HD      HIS  17   1.837  -8.041   2.598
  134    HE1  HIS  17           1HE      HIS  17   0.909 -11.264   5.194
  135    H    LYS  18           H        LYS  18   2.816  -6.617   1.653
  136    HA   LYS  18           HA       LYS  18   5.116  -8.061   0.616
  137   1HB   LYS  18          2HB       LYS  18   2.322  -7.625  -0.375
  138   2HB   LYS  18          1HB       LYS  18   3.580  -8.161  -1.479
  139   1HG   LYS  18          2HG       LYS  18   2.651  -9.571   1.013
  140   2HG   LYS  18          1HG       LYS  18   2.369 -10.066  -0.658
  141   1HD   LYS  18          2HD       LYS  18   5.053  -9.878   0.712
  142   2HD   LYS  18          1HD       LYS  18   4.179 -11.365   0.344
  143   1HE   LYS  18          2HE       LYS  18   4.404 -10.985  -2.013
  144   2HE   LYS  18          1HE       LYS  18   5.073  -9.377  -1.740
  145   1HZ   LYS  18          1HZ       LYS  18   6.757 -11.075  -2.283
  146   2HZ   LYS  18          2HZ       LYS  18   6.371 -11.895  -0.855
  147   3HZ   LYS  18          3HZ       LYS  18   7.025 -10.337  -0.785
  148    H    TYR  19           H        TYR  19   3.469  -4.990   0.234
  149    HA   TYR  19           HA       TYR  19   5.170  -4.251  -2.010
  150   1HB   TYR  19          2HB       TYR  19   2.893  -2.895  -0.587
  151   2HB   TYR  19          1HB       TYR  19   3.900  -2.021  -1.735
  152    HD1  TYR  19           1HD      TYR  19   2.737  -5.554  -1.963
  153    HD2  TYR  19           2HD      TYR  19   2.415  -1.598  -3.489
  154    HE1  TYR  19           1HE      TYR  19   1.360  -6.388  -3.818
  155    HE2  TYR  19           2HE      TYR  19   1.036  -2.421  -5.347
  156    HH   TYR  19           HH       TYR  19   0.896  -5.050  -6.511
  157    HA   PRO  20           HA       PRO  20   8.356  -2.834   0.809
  158   1HB   PRO  20          2HB       PRO  20   9.783  -1.559  -1.210
  159   2HB   PRO  20          1HB       PRO  20   9.977  -3.244  -0.720
  160   1HG   PRO  20          2HG       PRO  20   8.428  -2.096  -2.996
  161   2HG   PRO  20          1HG       PRO  20   9.381  -3.590  -2.924
  162   1HD   PRO  20          2HD       PRO  20   6.703  -3.631  -2.813
  163   2HD   PRO  20          1HD       PRO  20   7.687  -4.764  -1.861
  164    H    PHE  21           H        PHE  21   7.128  -0.673  -1.746
  165    HA   PHE  21           HA       PHE  21   7.739   1.674  -0.210
  166   1HB   PHE  21          2HB       PHE  21   6.504   2.834  -2.119
  167   2HB   PHE  21          1HB       PHE  21   7.977   1.965  -2.527
  168    HD1  PHE  21           1HD      PHE  21   4.297   1.317  -2.306
  169    HD2  PHE  21           2HD      PHE  21   7.940   0.666  -4.404
  170    HE1  PHE  21           1HE      PHE  21   3.078   0.045  -4.019
  171    HE2  PHE  21           2HE      PHE  21   6.727  -0.609  -6.122
  172    HZ   PHE  21           HZ       PHE  21   4.292  -0.920  -5.932
  173    H    CYS  22           H        CYS  22   5.390  -0.521   0.213
  174    HA   CYS  22           HA       CYS  22   3.673   1.420   1.548
  175   1HB   CYS  22          2HB       CYS  22   2.672  -0.531  -0.540
  176   2HB   CYS  22          1HB       CYS  22   1.623   0.229   0.649
  177    H    HIS  23           H        HIS  23   5.298   0.009   2.960
  178    HA   HIS  23           HA       HIS  23   4.528  -2.639   3.614
  179   1HB   HIS  23          2HB       HIS  23   6.451  -0.661   4.682
  180   2HB   HIS  23          1HB       HIS  23   5.919  -1.916   5.798
  181    HD1  HIS  23           1HD      HIS  23   8.767  -2.117   5.213
  182    HD2  HIS  23           2HD      HIS  23   5.946  -3.782   2.657
  183    HE1  HIS  23           1HE      HIS  23   9.993  -3.890   3.921
  184    H    CYS  24           H        CYS  24   2.239  -1.529   3.653
  185    HA   CYS  24           HA       CYS  24   1.390  -0.618   6.263
  186   1HB   CYS  24          2HB       CYS  24   0.464   0.145   4.026
  187   2HB   CYS  24          1HB       CYS  24  -0.299  -1.434   3.899
  188    H    ARG  25           H        ARG  25  -0.824  -1.777   6.911
  189    HA   ARG  25           HA       ARG  25  -0.053  -4.440   7.689
  190   1HB   ARG  25          2HB       ARG  25  -2.582  -2.871   8.220
  191   2HB   ARG  25          1HB       ARG  25  -2.221  -4.445   8.916
  192   1HG   ARG  25          2HG       ARG  25  -0.221  -3.472   9.989
  193   2HG   ARG  25          1HG       ARG  25  -0.685  -1.892   9.355
  194   1HD   ARG  25          2HD       ARG  25  -2.356  -3.592  11.204
  195   2HD   ARG  25          1HD       ARG  25  -1.376  -2.214  11.699
  196    HE   ARG  25           HE       ARG  25  -3.107  -1.342   9.697
  197   1HH1  ARG  25          1HH1      ARG  25  -3.290  -2.574  12.964
  198   2HH1  ARG  25          2HH1      ARG  25  -4.738  -1.708  13.353
  199   1HH2  ARG  25          1HH2      ARG  25  -5.028  -0.187  10.201
  200   2HH2  ARG  25          2HH2      ARG  25  -5.730  -0.347  11.776
  201   1HN   NH2  26          1H        ARG  25  -3.458  -5.038   7.061
  202   2HN   NH2  26          2H        ARG  25  -3.437  -4.070   5.630
  Start of MODEL   14
    1   1H    PHE   1          1HT       PHE   1   3.644  15.797   3.877
    2   2H    PHE   1          2HT       PHE   1   4.115  14.666   5.042
    3   3H    PHE   1          3HT       PHE   1   2.783  14.351   4.051
    4    HA   PHE   1           HA       PHE   1   5.158  14.894   2.559
    5   1HB   PHE   1          2HB       PHE   1   5.066  12.638   4.564
    6   2HB   PHE   1          1HB       PHE   1   6.051  12.539   3.110
    7    HD1  PHE   1           1HD      PHE   1   5.413  15.160   5.711
    8    HD2  PHE   1           2HD      PHE   1   8.264  12.894   3.510
    9    HE1  PHE   1           1HE      PHE   1   7.237  16.351   6.854
   10    HE2  PHE   1           2HE      PHE   1  10.093  14.081   4.650
   11    HZ   PHE   1           HZ       PHE   1   9.581  15.811   6.325
   12    HA   PRO   2           HA       PRO   2   2.486  12.862  -0.310
   13   1HB   PRO   2          2HB       PRO   2   4.324  11.970  -2.121
   14   2HB   PRO   2          1HB       PRO   2   3.807  13.657  -2.009
   15   1HG   PRO   2          2HG       PRO   2   6.262  12.350  -0.906
   16   2HG   PRO   2          1HG       PRO   2   6.095  13.920  -1.712
   17   1HD   PRO   2          2HD       PRO   2   6.285  13.698   0.969
   18   2HD   PRO   2          1HD       PRO   2   5.303  14.957   0.193
   19    H    ARG   3           H        ARG   3   1.747  10.823  -0.875
   20    HA   ARG   3           HA       ARG   3   3.330   8.486  -0.207
   21   1HB   ARG   3          2HB       ARG   3   1.488   7.506   1.157
   22   2HB   ARG   3          1HB       ARG   3   2.258   8.893   1.911
   23   1HG   ARG   3          2HG       ARG   3   0.376  10.302   1.093
   24   2HG   ARG   3          1HG       ARG   3  -0.413   8.830   0.525
   25   1HD   ARG   3          2HD       ARG   3   0.430   9.323   3.378
   26   2HD   ARG   3          1HD       ARG   3  -1.195   9.608   2.759
   27    HE   ARG   3           HE       ARG   3   0.003   7.077   3.417
   28   1HH1  ARG   3          1HH1      ARG   3  -2.516   8.666   1.576
   29   2HH1  ARG   3          2HH1      ARG   3  -3.487   7.235   1.427
   30   1HH2  ARG   3          1HH2      ARG   3  -1.288   5.185   3.212
   31   2HH2  ARG   3          2HH2      ARG   3  -2.792   5.269   2.350
   32    HA   PRO   4           HA       PRO   4   1.508   7.088  -3.963
   33   1HB   PRO   4          2HB       PRO   4   1.813   4.381  -2.778
   34   2HB   PRO   4          1HB       PRO   4   2.432   5.019  -4.305
   35   1HG   PRO   4          2HG       PRO   4   4.060   4.631  -2.230
   36   2HG   PRO   4          1HG       PRO   4   4.255   6.036  -3.294
   37   1HD   PRO   4          2HD       PRO   4   3.052   5.878  -0.561
   38   2HD   PRO   4          1HD       PRO   4   4.076   7.143  -1.271
   39    H    ARG   5           H        ARG   5  -0.533   6.864  -4.584
   40    HA   ARG   5           HA       ARG   5  -2.643   6.531  -2.739
   41   1HB   ARG   5          2HB       ARG   5  -2.666   6.404  -5.761
   42   2HB   ARG   5          1HB       ARG   5  -4.109   6.451  -4.755
   43   1HG   ARG   5          2HG       ARG   5  -3.292   8.632  -3.839
   44   2HG   ARG   5          1HG       ARG   5  -2.016   8.591  -5.057
   45   1HD   ARG   5          2HD       ARG   5  -4.980   8.531  -5.624
   46   2HD   ARG   5          1HD       ARG   5  -3.948   9.955  -5.750
   47    HE   ARG   5           HE       ARG   5  -2.857   7.934  -7.349
   48   1HH1  ARG   5          1HH1      ARG   5  -5.686   9.984  -7.225
   49   2HH1  ARG   5          2HH1      ARG   5  -5.917  10.000  -8.942
   50   1HH2  ARG   5          1HH2      ARG   5  -3.153   7.947  -9.629
   51   2HH2  ARG   5          2HH2      ARG   5  -4.471   8.837 -10.312
   52    H    ILE   6           H        ILE   6  -0.801   4.315  -4.609
   53    HA   ILE   6           HA       ILE   6  -2.580   2.137  -4.735
   54    HB   ILE   6           HB       ILE   6   0.423   2.006  -4.519
   55   1HG1  ILE   6          2HG1      ILE   6  -1.274   2.292  -7.010
   56   2HG1  ILE   6          1HG1      ILE   6  -0.303   3.575  -6.298
   57   1HG2  ILE   6          1HG2      ILE   6  -1.430  -0.031  -4.579
   58   2HG2  ILE   6          2HG2      ILE   6   0.278  -0.175  -4.989
   59   3HG2  ILE   6          3HG2      ILE   6  -0.913   0.094  -6.261
   60   1HD1  ILE   6          1HD1      ILE   6   0.511   1.928  -8.290
   61   2HD1  ILE   6          2HD1      ILE   6   1.180   1.121  -6.873
   62   3HD1  ILE   6          3HD1      ILE   6   1.587   2.804  -7.203
   63    H    CYS   7           H        CYS   7  -0.370   3.271  -2.275
   64    HA   CYS   7           HA       CYS   7  -0.251   1.066  -0.595
   65   1HB   CYS   7          2HB       CYS   7  -0.270   4.010   0.076
   66   2HB   CYS   7          1HB       CYS   7   0.136   2.740   1.219
   67    H    ASN   8           H        ASN   8  -2.796   3.362  -1.097
   68    HA   ASN   8           HA       ASN   8  -4.311   2.847   1.244
   69   1HB   ASN   8          2HB       ASN   8  -5.258   3.688  -1.507
   70   2HB   ASN   8          1HB       ASN   8  -6.239   3.723  -0.052
   71   1HD2  ASN   8          1HD2      ASN   8  -4.806   5.676  -2.054
   72   2HD2  ASN   8          2HD2      ASN   8  -4.251   6.928  -0.998
   73    H    LEU   9           H        LEU   9  -4.320   1.432  -1.963
   74    HA   LEU   9           HA       LEU   9  -6.366  -0.485  -1.447
   75   1HB   LEU   9          2HB       LEU   9  -4.267  -0.967  -3.506
   76   2HB   LEU   9          1HB       LEU   9  -5.997  -1.235  -3.600
   77    HG   LEU   9           HG       LEU   9  -4.690   1.480  -3.666
   78   1HD1  LEU   9          1HD1      LEU   9  -5.143  -0.521  -5.753
   79   2HD1  LEU   9          2HD1      LEU   9  -4.089   0.892  -5.743
   80   3HD1  LEU   9          3HD1      LEU   9  -5.799   1.072  -6.131
   81   1HD2  LEU   9          1HD2      LEU   9  -6.778   2.130  -3.173
   82   2HD2  LEU   9          2HD2      LEU   9  -7.458   0.541  -3.527
   83   3HD2  LEU   9          3HD2      LEU   9  -7.157   1.684  -4.836
   84    H    ALA  10           H        ALA  10  -2.895  -0.372  -1.321
   85    HA   ALA  10           HA       ALA  10  -2.248  -3.042  -0.979
   86   1HB   ALA  10          1HB       ALA  10  -0.625  -1.325   0.700
   87   2HB   ALA  10          2HB       ALA  10  -0.872  -0.650  -0.910
   88   3HB   ALA  10          3HB       ALA  10  -0.180  -2.261  -0.728
   89    H    CYS  11           H        CYS  11  -3.084  -0.657   1.550
   90    HA   CYS  11           HA       CYS  11  -2.757  -2.421   3.731
   91   1HB   CYS  11          2HB       CYS  11  -4.871  -0.270   3.692
   92   2HB   CYS  11          1HB       CYS  11  -3.932  -0.847   5.055
   93    H    ARG  12           H        ARG  12  -5.576  -1.609   1.760
   94    HA   ARG  12           HA       ARG  12  -7.487  -3.130   3.116
   95   1HB   ARG  12          2HB       ARG  12  -7.367  -2.379   0.196
   96   2HB   ARG  12          1HB       ARG  12  -8.788  -3.024   1.007
   97   1HG   ARG  12          2HG       ARG  12  -8.847  -1.080   2.472
   98   2HG   ARG  12          1HG       ARG  12  -7.406  -0.436   1.683
   99   1HD   ARG  12          2HD       ARG  12  -8.610  -0.317  -0.436
  100   2HD   ARG  12          1HD       ARG  12 -10.047  -0.991   0.332
  101    HE   ARG  12           HE       ARG  12  -9.207   1.720   0.366
  102   1HH1  ARG  12          1HH1      ARG  12 -10.823  -0.702   2.313
  103   2HH1  ARG  12          2HH1      ARG  12 -11.670   0.457   3.285
  104   1HH2  ARG  12          1HH2      ARG  12 -10.327   3.254   1.645
  105   2HH2  ARG  12          2HH2      ARG  12 -11.386   2.711   2.903
  106    H    ALA  13           H        ALA  13  -5.445  -4.034   0.356
  107    HA   ALA  13           HA       ALA  13  -6.548  -6.706   0.295
  108   1HB   ALA  13          1HB       ALA  13  -4.613  -5.166  -1.340
  109   2HB   ALA  13          2HB       ALA  13  -6.002  -6.132  -1.838
  110   3HB   ALA  13          3HB       ALA  13  -4.497  -6.927  -1.375
  111    H    GLY  14           H        GLY  14  -4.688  -5.390   2.480
  112   1HA   GLY  14          2HA       GLY  14  -3.138  -6.126   4.001
  113   2HA   GLY  14          1HA       GLY  14  -3.686  -7.725   3.581
  114    H    ILE  15           H        ILE  15  -2.261  -5.610   1.277
  115    HA   ILE  15           HA       ILE  15  -0.017  -7.475   1.084
  116    HB   ILE  15           HB       ILE  15   0.454  -6.330  -1.122
  117   1HG1  ILE  15          2HG1      ILE  15  -2.310  -5.202  -0.633
  118   2HG1  ILE  15          1HG1      ILE  15  -0.818  -4.276  -0.731
  119   1HG2  ILE  15          1HG2      ILE  15  -1.415  -8.328  -0.421
  120   2HG2  ILE  15          2HG2      ILE  15  -0.527  -8.142  -1.933
  121   3HG2  ILE  15          3HG2      ILE  15  -2.113  -7.394  -1.743
  122   1HD1  ILE  15          1HD1      ILE  15  -1.704  -3.962  -2.818
  123   2HD1  ILE  15          2HD1      ILE  15  -2.380  -5.589  -2.897
  124   3HD1  ILE  15          3HD1      ILE  15  -0.645  -5.344  -3.100
  125    H    GLY  16           H        GLY  16  -0.457  -5.316   3.045
  126   1HA   GLY  16          2HA       GLY  16   1.302  -3.153   2.584
  127   2HA   GLY  16          1HA       GLY  16   0.823  -3.756   4.164
  128    H    HIS  17           H        HIS  17   1.872  -6.398   3.802
  129    HA   HIS  17           HA       HIS  17   4.663  -5.831   4.362
  130   1HB   HIS  17          2HB       HIS  17   3.162  -7.427   5.716
  131   2HB   HIS  17          1HB       HIS  17   3.351  -8.552   4.378
  132    HD1  HIS  17           1HD      HIS  17   6.245  -8.641   3.794
  133    HD2  HIS  17           2HD      HIS  17   4.833  -8.170   7.681
  134    HE1  HIS  17           1HE      HIS  17   8.104  -9.436   5.292
  135    H    LYS  18           H        LYS  18   2.756  -6.793   1.761
  136    HA   LYS  18           HA       LYS  18   4.761  -8.335   0.380
  137   1HB   LYS  18          2HB       LYS  18   2.049  -7.290  -0.443
  138   2HB   LYS  18          1HB       LYS  18   3.099  -8.172  -1.537
  139   1HG   LYS  18          2HG       LYS  18   1.447  -9.668  -0.668
  140   2HG   LYS  18          1HG       LYS  18   3.013 -10.109   0.007
  141   1HD   LYS  18          2HD       LYS  18   2.469  -9.202   2.118
  142   2HD   LYS  18          1HD       LYS  18   1.072  -8.338   1.473
  143   1HE   LYS  18          2HE       LYS  18   1.243 -11.337   1.424
  144   2HE   LYS  18          1HE       LYS  18   0.637 -10.465   2.830
  145   1HZ   LYS  18          1HZ       LYS  18  -1.082 -11.237   1.193
  146   2HZ   LYS  18          2HZ       LYS  18  -0.481 -10.085   0.110
  147   3HZ   LYS  18          3HZ       LYS  18  -1.146  -9.592   1.587
  148    H    TYR  19           H        TYR  19   3.407  -5.088   0.230
  149    HA   TYR  19           HA       TYR  19   5.223  -4.385  -1.953
  150   1HB   TYR  19          2HB       TYR  19   2.855  -2.994  -0.713
  151   2HB   TYR  19          1HB       TYR  19   3.938  -2.167  -1.823
  152    HD1  TYR  19           1HD      TYR  19   2.997  -5.722  -2.192
  153    HD2  TYR  19           2HD      TYR  19   2.297  -1.736  -3.503
  154    HE1  TYR  19           1HE      TYR  19   1.698  -6.581  -4.092
  155    HE2  TYR  19           2HE      TYR  19   0.998  -2.586  -5.407
  156    HH   TYR  19           HH       TYR  19   0.897  -4.759  -6.746
  157    HA   PRO  20           HA       PRO  20   8.100  -2.906   1.180
  158   1HB   PRO  20          2HB       PRO  20   9.457  -1.893  -1.256
  159   2HB   PRO  20          1HB       PRO  20  10.092  -2.897   0.052
  160   1HG   PRO  20          2HG       PRO  20   9.558  -3.946  -2.341
  161   2HG   PRO  20          1HG       PRO  20   9.230  -4.851  -0.851
  162   1HD   PRO  20          2HD       PRO  20   7.329  -3.393  -2.642
  163   2HD   PRO  20          1HD       PRO  20   7.120  -4.941  -1.798
  164    H    PHE  21           H        PHE  21   7.142  -0.964  -1.640
  165    HA   PHE  21           HA       PHE  21   7.703   1.514  -0.310
  166   1HB   PHE  21          2HB       PHE  21   6.585   2.514  -2.358
  167   2HB   PHE  21          1HB       PHE  21   8.030   1.556  -2.643
  168    HD1  PHE  21           1HD      PHE  21   8.003  -0.115  -4.228
  169    HD2  PHE  21           2HD      PHE  21   4.314   1.293  -2.645
  170    HE1  PHE  21           1HE      PHE  21   6.781  -1.469  -5.880
  171    HE2  PHE  21           2HE      PHE  21   3.087  -0.062  -4.289
  172    HZ   PHE  21           HZ       PHE  21   4.320  -1.445  -5.909
  173    H    CYS  22           H        CYS  22   5.222  -0.648   0.002
  174    HA   CYS  22           HA       CYS  22   3.492   1.443   1.116
  175   1HB   CYS  22          2HB       CYS  22   2.612  -0.825  -0.679
  176   2HB   CYS  22          1HB       CYS  22   1.505   0.011   0.400
  177    H    HIS  23           H        HIS  23   5.178   0.355   2.685
  178    HA   HIS  23           HA       HIS  23   4.501  -2.148   3.838
  179   1HB   HIS  23          2HB       HIS  23   6.761  -1.005   3.915
  180   2HB   HIS  23          1HB       HIS  23   6.089   0.068   5.138
  181    HD1  HIS  23           1HD      HIS  23   6.170  -3.712   4.674
  182    HD2  HIS  23           2HD      HIS  23   6.786  -0.814   7.588
  183    HE1  HIS  23           1HE      HIS  23   6.797  -4.975   6.758
  184    H    CYS  24           H        CYS  24   2.182  -1.079   3.737
  185    HA   CYS  24           HA       CYS  24   1.363   0.463   5.991
  186   1HB   CYS  24          2HB       CYS  24   0.259   0.303   3.700
  187   2HB   CYS  24          1HB       CYS  24  -0.388  -1.244   4.233
  188    H    ARG  25           H        ARG  25  -0.601  -0.453   7.267
  189    HA   ARG  25           HA       ARG  25   0.383  -2.542   8.925
  190   1HB   ARG  25          2HB       ARG  25  -1.032  -0.674   9.741
  191   2HB   ARG  25          1HB       ARG  25  -2.385  -1.325   8.830
  192   1HG   ARG  25          2HG       ARG  25  -2.273  -3.382  10.183
  193   2HG   ARG  25          1HG       ARG  25  -0.973  -2.656  11.132
  194   1HD   ARG  25          2HD       ARG  25  -2.493  -0.820  11.759
  195   2HD   ARG  25          1HD       ARG  25  -3.788  -1.602  10.857
  196    HE   ARG  25           HE       ARG  25  -4.117  -2.993  12.625
  197   1HH1  ARG  25          1HH1      ARG  25  -0.926  -1.585  12.944
  198   2HH1  ARG  25          2HH1      ARG  25  -0.609  -2.321  14.478
  199   1HH2  ARG  25          1HH2      ARG  25  -3.704  -3.969  14.657
  200   2HH2  ARG  25          2HH2      ARG  25  -2.194  -3.681  15.456
  201   1HN   NH2  26          1H        ARG  25   0.556  -4.463   7.487
  202   2HN   NH2  26          2H        ARG  25  -0.813  -5.435   7.892
  Start of MODEL   15
    1   1H    PHE   1          1HT       PHE   1   4.648  15.490   4.985
    2   2H    PHE   1          2HT       PHE   1   4.919  14.493   6.322
    3   3H    PHE   1          3HT       PHE   1   3.501  14.324   5.416
    4    HA   PHE   1           HA       PHE   1   5.913  14.054   3.873
    5   1HB   PHE   1          2HB       PHE   1   6.581  13.045   6.044
    6   2HB   PHE   1          1HB       PHE   1   5.170  11.996   5.976
    7    HD1  PHE   1           1HD      PHE   1   5.660   9.829   5.450
    8    HD2  PHE   1           2HD      PHE   1   7.935  12.936   3.637
    9    HE1  PHE   1           1HE      PHE   1   6.972   8.148   4.223
   10    HE2  PHE   1           2HE      PHE   1   9.248  11.261   2.405
   11    HZ   PHE   1           HZ       PHE   1   8.767   8.864   2.696
   12    HA   PRO   2           HA       PRO   2   2.447  12.458   1.523
   13   1HB   PRO   2          2HB       PRO   2   3.727  12.106  -0.807
   14   2HB   PRO   2          1HB       PRO   2   3.344  13.722  -0.195
   15   1HG   PRO   2          2HG       PRO   2   5.933  12.225  -0.102
   16   2HG   PRO   2          1HG       PRO   2   5.641  13.934  -0.474
   17   1HD   PRO   2          2HD       PRO   2   6.477  13.025   1.973
   18   2HD   PRO   2          1HD       PRO   2   5.556  14.524   1.737
   19    H    ARG   3           H        ARG   3   2.184  10.552  -0.063
   20    HA   ARG   3           HA       ARG   3   3.904   8.299   0.247
   21   1HB   ARG   3          2HB       ARG   3   2.352   6.831   1.437
   22   2HB   ARG   3          1HB       ARG   3   2.792   8.207   2.438
   23   1HG   ARG   3          2HG       ARG   3   0.671   9.266   1.993
   24   2HG   ARG   3          1HG       ARG   3   0.234   7.979   0.866
   25   1HD   ARG   3          2HD       ARG   3  -0.852   7.636   3.013
   26   2HD   ARG   3          1HD       ARG   3   0.316   6.355   2.699
   27    HE   ARG   3           HE       ARG   3   1.453   7.002   4.559
   28   1HH1  ARG   3          1HH1      ARG   3  -0.608   9.655   3.578
   29   2HH1  ARG   3          2HH1      ARG   3  -0.207  10.644   4.940
   30   1HH2  ARG   3          1HH2      ARG   3   1.988   8.302   6.364
   31   2HH2  ARG   3          2HH2      ARG   3   1.274   9.870   6.533
   32    HA   PRO   4           HA       PRO   4   2.017   7.344  -3.607
   33   1HB   PRO   4          2HB       PRO   4   2.240   4.595  -3.563
   34   2HB   PRO   4          1HB       PRO   4   3.543   5.701  -4.008
   35   1HG   PRO   4          2HG       PRO   4   3.032   4.312  -1.414
   36   2HG   PRO   4          1HG       PRO   4   4.571   4.622  -2.240
   37   1HD   PRO   4          2HD       PRO   4   3.753   6.092  -0.135
   38   2HD   PRO   4          1HD       PRO   4   4.691   6.796  -1.468
   39    H    ARG   5           H        ARG   5   0.015   6.951  -4.361
   40    HA   ARG   5           HA       ARG   5  -2.118   6.495  -2.582
   41   1HB   ARG   5          2HB       ARG   5  -1.933   6.632  -5.577
   42   2HB   ARG   5          1HB       ARG   5  -3.443   6.192  -4.794
   43   1HG   ARG   5          2HG       ARG   5  -3.612   8.488  -5.182
   44   2HG   ARG   5          1HG       ARG   5  -3.208   8.352  -3.471
   45   1HD   ARG   5          2HD       ARG   5  -1.880  10.106  -4.378
   46   2HD   ARG   5          1HD       ARG   5  -0.812   8.732  -4.100
   47    HE   ARG   5           HE       ARG   5  -0.350   8.731  -6.326
   48   1HH1  ARG   5          1HH1      ARG   5  -3.422  10.359  -5.885
   49   2HH1  ARG   5          2HH1      ARG   5  -3.604  10.748  -7.563
   50   1HH2  ARG   5          1HH2      ARG   5  -0.588   9.247  -8.546
   51   2HH2  ARG   5          2HH2      ARG   5  -1.990  10.113  -9.079
   52    H    ILE   6           H        ILE   6  -0.069   4.342  -4.215
   53    HA   ILE   6           HA       ILE   6  -1.716   2.115  -4.630
   54    HB   ILE   6           HB       ILE   6   1.188   2.057  -3.830
   55   1HG1  ILE   6          2HG1      ILE   6   0.882   3.617  -5.695
   56   2HG1  ILE   6          1HG1      ILE   6   1.709   2.161  -6.237
   57   1HG2  ILE   6          1HG2      ILE   6  -0.270  -0.078  -3.963
   58   2HG2  ILE   6          2HG2      ILE   6   1.315  -0.070  -4.735
   59   3HG2  ILE   6          3HG2      ILE   6  -0.140   0.146  -5.707
   60   1HD1  ILE   6          1HD1      ILE   6  -0.093   1.441  -7.475
   61   2HD1  ILE   6          2HD1      ILE   6  -0.189   3.192  -7.671
   62   3HD1  ILE   6          3HD1      ILE   6  -1.252   2.372  -6.527
   63    H    CYS   7           H        CYS   7  -0.112   3.346  -1.780
   64    HA   CYS   7           HA       CYS   7  -0.193   1.159  -0.087
   65   1HB   CYS   7          2HB       CYS   7  -0.582   4.089   0.533
   66   2HB   CYS   7          1HB       CYS   7  -0.341   2.851   1.754
   67    H    ASN   8           H        ASN   8  -2.731   3.243  -1.157
   68    HA   ASN   8           HA       ASN   8  -4.717   2.790   0.763
   69   1HB   ASN   8          2HB       ASN   8  -5.009   4.458  -0.954
   70   2HB   ASN   8          1HB       ASN   8  -4.940   3.245  -2.215
   71   1HD2  ASN   8          1HD2      ASN   8  -6.855   3.117  -3.111
   72   2HD2  ASN   8          2HD2      ASN   8  -8.363   3.017  -2.279
   73    H    LEU   9           H        LEU   9  -4.251   1.145  -2.328
   74    HA   LEU   9           HA       LEU   9  -6.169  -0.876  -1.746
   75   1HB   LEU   9          2HB       LEU   9  -5.351  -1.984  -3.789
   76   2HB   LEU   9          1HB       LEU   9  -5.767  -0.303  -4.041
   77    HG   LEU   9           HG       LEU   9  -3.137  -0.012  -3.619
   78   1HD1  LEU   9          1HD1      LEU   9  -2.902  -2.496  -3.304
   79   2HD1  LEU   9          2HD1      LEU   9  -1.846  -1.779  -4.521
   80   3HD1  LEU   9          3HD1      LEU   9  -3.285  -2.671  -5.017
   81   1HD2  LEU   9          1HD2      LEU   9  -4.887  -0.196  -5.905
   82   2HD2  LEU   9          2HD2      LEU   9  -3.249  -0.706  -6.311
   83   3HD2  LEU   9          3HD2      LEU   9  -3.527   0.889  -5.610
   84    H    ALA  10           H        ALA  10  -2.739  -0.573  -1.338
   85    HA   ALA  10           HA       ALA  10  -2.102  -3.265  -0.873
   86   1HB   ALA  10          1HB       ALA  10  -0.119  -2.260  -1.000
   87   2HB   ALA  10          2HB       ALA  10  -0.339  -1.841   0.700
   88   3HB   ALA  10          3HB       ALA  10  -0.797  -0.693  -0.558
   89    H    CYS  11           H        CYS  11  -3.048  -0.685   1.389
   90    HA   CYS  11           HA       CYS  11  -2.775  -2.245   3.725
   91   1HB   CYS  11          2HB       CYS  11  -4.511   0.176   3.184
   92   2HB   CYS  11          1HB       CYS  11  -4.295  -0.536   4.773
   93    H    ARG  12           H        ARG  12  -5.638  -1.518   1.730
   94    HA   ARG  12           HA       ARG  12  -7.427  -2.925   3.391
   95   1HB   ARG  12          2HB       ARG  12  -9.042  -2.744   1.579
   96   2HB   ARG  12          1HB       ARG  12  -8.213  -1.221   1.849
   97   1HG   ARG  12          2HG       ARG  12  -6.781  -1.672  -0.093
   98   2HG   ARG  12          1HG       ARG  12  -7.667  -3.173  -0.375
   99   1HD   ARG  12          2HD       ARG  12  -8.550  -1.468  -1.822
  100   2HD   ARG  12          1HD       ARG  12  -9.751  -1.851  -0.590
  101    HE   ARG  12           HE       ARG  12  -8.058   0.376   0.096
  102   1HH1  ARG  12          1HH1      ARG  12 -10.981  -0.612  -1.554
  103   2HH1  ARG  12          2HH1      ARG  12 -11.710   0.958  -1.490
  104   1HH2  ARG  12          1HH2      ARG  12  -8.995   2.467   0.167
  105   2HH2  ARG  12          2HH2      ARG  12 -10.582   2.712  -0.496
  106    H    ALA  13           H        ALA  13  -5.527  -3.964   0.603
  107    HA   ALA  13           HA       ALA  13  -6.770  -6.579   0.633
  108   1HB   ALA  13          1HB       ALA  13  -5.122  -5.090  -1.198
  109   2HB   ALA  13          2HB       ALA  13  -6.137  -6.500  -1.499
  110   3HB   ALA  13          3HB       ALA  13  -4.474  -6.713  -0.952
  111    H    GLY  14           H        GLY  14  -4.610  -5.086   2.516
  112   1HA   GLY  14          2HA       GLY  14  -3.133  -5.778   4.129
  113   2HA   GLY  14          1HA       GLY  14  -3.776  -7.382   3.892
  114    H    ILE  15           H        ILE  15  -2.479  -5.812   1.186
  115    HA   ILE  15           HA       ILE  15  -0.264  -7.708   1.169
  116    HB   ILE  15           HB       ILE  15   0.090  -6.927  -1.191
  117   1HG1  ILE  15          2HG1      ILE  15  -2.514  -5.473  -0.672
  118   2HG1  ILE  15          1HG1      ILE  15  -0.955  -4.726  -1.006
  119   1HG2  ILE  15          1HG2      ILE  15  -1.376  -8.896  -0.369
  120   2HG2  ILE  15          2HG2      ILE  15  -1.494  -8.379  -2.052
  121   3HG2  ILE  15          3HG2      ILE  15  -2.726  -7.888  -0.890
  122   1HD1  ILE  15          1HD1      ILE  15  -2.253  -6.583  -2.962
  123   2HD1  ILE  15          2HD1      ILE  15  -0.993  -5.380  -3.242
  124   3HD1  ILE  15          3HD1      ILE  15  -2.646  -4.865  -2.904
  125    H    GLY  16           H        GLY  16  -0.614  -5.150   2.717
  126   1HA   GLY  16          2HA       GLY  16   1.243  -3.233   1.820
  127   2HA   GLY  16          1HA       GLY  16   0.762  -3.478   3.495
  128    H    HIS  17           H        HIS  17   1.672  -6.077   3.871
  129    HA   HIS  17           HA       HIS  17   4.378  -5.609   4.482
  130   1HB   HIS  17          2HB       HIS  17   2.866  -8.226   4.355
  131   2HB   HIS  17          1HB       HIS  17   4.465  -8.024   5.065
  132    HD1  HIS  17           1HD      HIS  17   4.335  -5.858   6.972
  133    HD2  HIS  17           2HD      HIS  17   1.001  -8.243   6.292
  134    HE1  HIS  17           1HE      HIS  17   2.885  -5.580   9.004
  135    H    LYS  18           H        LYS  18   2.818  -6.911   1.705
  136    HA   LYS  18           HA       LYS  18   5.185  -8.092   0.577
  137   1HB   LYS  18          2HB       LYS  18   3.011  -9.055   0.081
  138   2HB   LYS  18          1HB       LYS  18   2.462  -7.532  -0.605
  139   1HG   LYS  18          2HG       LYS  18   4.102  -7.741  -2.400
  140   2HG   LYS  18          1HG       LYS  18   4.669  -9.261  -1.707
  141   1HD   LYS  18          2HD       LYS  18   1.845  -8.757  -2.645
  142   2HD   LYS  18          1HD       LYS  18   3.091  -9.547  -3.612
  143   1HE   LYS  18          2HE       LYS  18   2.058 -10.509  -0.945
  144   2HE   LYS  18          1HE       LYS  18   1.612 -11.171  -2.517
  145   1HZ   LYS  18          1HZ       LYS  18   4.170 -11.468  -2.748
  146   2HZ   LYS  18          2HZ       LYS  18   3.266 -12.595  -1.868
  147   3HZ   LYS  18          3HZ       LYS  18   4.150 -11.403  -1.057
  148    H    TYR  19           H        TYR  19   3.462  -5.036   0.279
  149    HA   TYR  19           HA       TYR  19   5.098  -4.225  -1.980
  150   1HB   TYR  19          2HB       TYR  19   2.844  -2.933  -0.472
  151   2HB   TYR  19          1HB       TYR  19   3.810  -2.014  -1.622
  152    HD1  TYR  19           1HD      TYR  19   2.185  -1.575  -3.274
  153    HD2  TYR  19           2HD      TYR  19   2.811  -5.574  -1.966
  154    HE1  TYR  19           1HE      TYR  19   0.792  -2.394  -5.126
  155    HE2  TYR  19           2HE      TYR  19   1.419  -6.403  -3.813
  156    HH   TYR  19           HH       TYR  19  -0.405  -4.242  -5.853
  157    HA   PRO  20           HA       PRO  20   8.403  -2.784   0.665
  158   1HB   PRO  20          2HB       PRO  20   9.203  -1.508  -1.897
  159   2HB   PRO  20          1HB       PRO  20  10.141  -2.535  -0.807
  160   1HG   PRO  20          2HG       PRO  20   9.219  -3.494  -3.112
  161   2HG   PRO  20          1HG       PRO  20   9.220  -4.493  -1.645
  162   1HD   PRO  20          2HD       PRO  20   6.949  -3.070  -2.970
  163   2HD   PRO  20          1HD       PRO  20   6.978  -4.662  -2.185
  164    H    PHE  21           H        PHE  21   7.034  -0.577  -1.780
  165    HA   PHE  21           HA       PHE  21   7.694   1.733  -0.209
  166   1HB   PHE  21          2HB       PHE  21   6.357   2.929  -2.032
  167   2HB   PHE  21          1HB       PHE  21   7.824   2.093  -2.523
  168    HD1  PHE  21           1HD      PHE  21   4.179   1.324  -2.132
  169    HD2  PHE  21           2HD      PHE  21   7.715   0.899  -4.461
  170    HE1  PHE  21           1HE      PHE  21   2.908   0.075  -3.827
  171    HE2  PHE  21           2HE      PHE  21   6.449  -0.349  -6.161
  172    HZ   PHE  21           HZ       PHE  21   4.042  -0.763  -5.845
  173    H    CYS  22           H        CYS  22   5.377  -0.484   0.286
  174    HA   CYS  22           HA       CYS  22   3.730   1.410   1.762
  175   1HB   CYS  22          2HB       CYS  22   2.624  -0.396  -0.400
  176   2HB   CYS  22          1HB       CYS  22   1.626   0.302   0.867
  177    H    HIS  23           H        HIS  23   5.345  -0.103   3.075
  178    HA   HIS  23           HA       HIS  23   4.528  -2.778   3.546
  179   1HB   HIS  23          2HB       HIS  23   6.432  -0.930   4.927
  180   2HB   HIS  23          1HB       HIS  23   5.988  -2.461   5.676
  181    HD1  HIS  23           1HD      HIS  23   6.011  -4.328   3.263
  182    HD2  HIS  23           2HD      HIS  23   8.912  -1.429   3.945
  183    HE1  HIS  23           1HE      HIS  23   8.062  -5.142   2.070
  184    H    CYS  24           H        CYS  24   2.277  -1.621   3.689
  185    HA   CYS  24           HA       CYS  24   1.411  -0.804   6.300
  186   1HB   CYS  24          2HB       CYS  24   0.473  -0.150   4.007
  187   2HB   CYS  24          1HB       CYS  24  -0.293  -1.731   3.999
  188    H    ARG  25           H        ARG  25  -0.885  -2.041   6.723
  189    HA   ARG  25           HA       ARG  25  -0.150  -4.488   7.955
  190   1HB   ARG  25          2HB       ARG  25  -2.533  -4.658   8.560
  191   2HB   ARG  25          1HB       ARG  25  -1.882  -3.061   8.905
  192   1HG   ARG  25          2HG       ARG  25  -2.904  -2.207   6.847
  193   2HG   ARG  25          1HG       ARG  25  -3.576  -3.808   6.527
  194   1HD   ARG  25          2HD       ARG  25  -5.256  -2.371   7.530
  195   2HD   ARG  25          1HD       ARG  25  -4.841  -3.687   8.625
  196    HE   ARG  25           HE       ARG  25  -4.183  -2.129  10.142
  197   1HH1  ARG  25          1HH1      ARG  25  -4.090  -0.627   6.979
  198   2HH1  ARG  25          2HH1      ARG  25  -3.626   0.928   7.584
  199   1HH2  ARG  25          1HH2      ARG  25  -3.583  -0.070  10.950
  200   2HH2  ARG  25          2HH2      ARG  25  -3.344   1.247   9.850
  201   1HN   NH2  26          1H        ARG  25  -1.661  -6.469   7.622
  202   2HN   NH2  26          2H        ARG  25  -1.814  -7.006   5.987
  Start of MODEL   16
    1   1H    PHE   1          1HT       PHE   1  -0.705  12.626   8.270
    2   2H    PHE   1          2HT       PHE   1   0.415  11.405   8.609
    3   3H    PHE   1          3HT       PHE   1  -1.108  11.006   7.992
    4    HA   PHE   1           HA       PHE   1   0.255  12.848   6.307
    5   1HB   PHE   1          2HB       PHE   1   1.551  10.204   7.002
    6   2HB   PHE   1          1HB       PHE   1   1.872  11.044   5.490
    7    HD1  PHE   1           1HD      PHE   1   3.818  12.227   5.430
    8    HD2  PHE   1           2HD      PHE   1   1.741  11.917   9.132
    9    HE1  PHE   1           1HE      PHE   1   5.584  13.538   6.527
   10    HE2  PHE   1           2HE      PHE   1   3.503  13.232  10.235
   11    HZ   PHE   1           HZ       PHE   1   5.428  14.045   8.932
   12    HA   PRO   2           HA       PRO   2  -2.798  10.898   3.764
   13   1HB   PRO   2          2HB       PRO   2  -1.260  11.759   1.421
   14   2HB   PRO   2          1HB       PRO   2  -2.856  12.282   1.962
   15   1HG   PRO   2          2HG       PRO   2  -0.699  13.890   2.092
   16   2HG   PRO   2          1HG       PRO   2  -2.006  13.958   3.289
   17   1HD   PRO   2          2HD       PRO   2   0.689  12.664   3.494
   18   2HD   PRO   2          1HD       PRO   2  -0.206  13.605   4.708
   19    H    ARG   3           H        ARG   3  -3.057   8.916   2.876
   20    HA   ARG   3           HA       ARG   3  -0.686   7.295   2.501
   21   1HB   ARG   3          2HB       ARG   3  -3.620   6.571   2.385
   22   2HB   ARG   3          1HB       ARG   3  -2.302   5.425   2.209
   23   1HG   ARG   3          2HG       ARG   3  -1.550   6.061   4.504
   24   2HG   ARG   3          1HG       ARG   3  -3.032   7.010   4.656
   25   1HD   ARG   3          2HD       ARG   3  -4.348   4.974   4.196
   26   2HD   ARG   3          1HD       ARG   3  -2.854   4.044   4.129
   27    HE   ARG   3           HE       ARG   3  -2.812   4.017   6.407
   28   1HH1  ARG   3          1HH1      ARG   3  -5.059   6.493   5.376
   29   2HH1  ARG   3          2HH1      ARG   3  -5.597   6.860   6.981
   30   1HH2  ARG   3          1HH2      ARG   3  -3.518   4.492   8.531
   31   2HH2  ARG   3          2HH2      ARG   3  -4.716   5.718   8.782
   32    HA   PRO   4           HA       PRO   4  -0.528   7.969  -1.904
   33   1HB   PRO   4          2HB       PRO   4   0.779   5.300  -1.830
   34   2HB   PRO   4          1HB       PRO   4   1.349   6.813  -2.545
   35   1HG   PRO   4          2HG       PRO   4   2.401   5.893  -0.274
   36   2HG   PRO   4          1HG       PRO   4   2.132   7.628  -0.522
   37   1HD   PRO   4          2HD       PRO   4   0.559   5.679   1.109
   38   2HD   PRO   4          1HD       PRO   4   0.938   7.382   1.439
   39    H    ARG   5           H        ARG   5  -1.697   7.260  -3.651
   40    HA   ARG   5           HA       ARG   5  -4.040   5.878  -3.293
   41   1HB   ARG   5          2HB       ARG   5  -3.419   7.340  -5.244
   42   2HB   ARG   5          1HB       ARG   5  -2.532   5.975  -5.906
   43   1HG   ARG   5          2HG       ARG   5  -4.735   6.182  -6.922
   44   2HG   ARG   5          1HG       ARG   5  -4.587   4.673  -6.019
   45   1HD   ARG   5          2HD       ARG   5  -6.748   5.706  -5.599
   46   2HD   ARG   5          1HD       ARG   5  -5.773   5.695  -4.130
   47    HE   ARG   5           HE       ARG   5  -5.435   8.136  -5.524
   48   1HH1  ARG   5          1HH1      ARG   5  -7.726   6.417  -3.518
   49   2HH1  ARG   5          2HH1      ARG   5  -8.485   7.853  -2.919
   50   1HH2  ARG   5          1HH2      ARG   5  -6.435  10.047  -4.739
   51   2HH2  ARG   5          2HH2      ARG   5  -7.749   9.924  -3.618
   52    H    ILE   6           H        ILE   6  -0.896   4.563  -4.163
   53    HA   ILE   6           HA       ILE   6  -1.898   1.953  -4.757
   54    HB   ILE   6           HB       ILE   6   0.930   2.788  -4.094
   55   1HG1  ILE   6          2HG1      ILE   6   0.081   3.975  -6.054
   56   2HG1  ILE   6          1HG1      ILE   6   1.286   2.786  -6.533
   57   1HG2  ILE   6          1HG2      ILE   6   0.997   0.585  -5.780
   58   2HG2  ILE   6          2HG2      ILE   6  -0.270   0.208  -4.613
   59   3HG2  ILE   6          3HG2      ILE   6   1.355   0.604  -4.054
   60   1HD1  ILE   6          1HD1      ILE   6  -0.480   1.277  -7.259
   61   2HD1  ILE   6          2HD1      ILE   6  -0.597   2.836  -8.073
   62   3HD1  ILE   6          3HD1      ILE   6  -1.698   2.447  -6.751
   63    H    CYS   7           H        CYS   7  -0.355   3.443  -1.967
   64    HA   CYS   7           HA       CYS   7  -0.197   1.152  -0.357
   65   1HB   CYS   7          2HB       CYS   7  -0.460   4.072   0.355
   66   2HB   CYS   7          1HB       CYS   7  -0.193   2.808   1.544
   67    H    ASN   8           H        ASN   8  -2.794   3.267  -1.171
   68    HA   ASN   8           HA       ASN   8  -4.612   2.787   0.905
   69   1HB   ASN   8          2HB       ASN   8  -4.920   4.486  -0.870
   70   2HB   ASN   8          1HB       ASN   8  -5.217   3.205  -2.031
   71   1HD2  ASN   8          1HD2      ASN   8  -7.263   2.923  -2.469
   72   2HD2  ASN   8          2HD2      ASN   8  -8.586   3.159  -1.385
   73    H    LEU   9           H        LEU   9  -4.362   1.202  -2.250
   74    HA   LEU   9           HA       LEU   9  -6.240  -0.829  -1.599
   75   1HB   LEU   9          2HB       LEU   9  -5.500  -1.924  -3.680
   76   2HB   LEU   9          1HB       LEU   9  -5.929  -0.243  -3.905
   77    HG   LEU   9           HG       LEU   9  -3.288   0.057  -3.590
   78   1HD1  LEU   9          1HD1      LEU   9  -3.142  -2.498  -3.337
   79   2HD1  LEU   9          2HD1      LEU   9  -1.997  -1.694  -4.409
   80   3HD1  LEU   9          3HD1      LEU   9  -3.392  -2.538  -5.082
   81   1HD2  LEU   9          1HD2      LEU   9  -3.465   0.807  -5.674
   82   2HD2  LEU   9          2HD2      LEU   9  -5.118   0.196  -5.666
   83   3HD2  LEU   9          3HD2      LEU   9  -3.812  -0.804  -6.301
   84    H    ALA  10           H        ALA  10  -2.798  -0.494  -1.299
   85    HA   ALA  10           HA       ALA  10  -2.093  -3.172  -0.884
   86   1HB   ALA  10          1HB       ALA  10  -0.263  -1.819  -1.196
   87   2HB   ALA  10          2HB       ALA  10  -0.216  -2.055   0.551
   88   3HB   ALA  10          3HB       ALA  10  -0.872  -0.562  -0.119
   89    H    CYS  11           H        CYS  11  -3.086  -0.671   1.457
   90    HA   CYS  11           HA       CYS  11  -2.810  -2.324   3.745
   91   1HB   CYS  11          2HB       CYS  11  -4.727   0.001   3.411
   92   2HB   CYS  11          1HB       CYS  11  -4.149  -0.667   4.926
   93    H    ARG  12           H        ARG  12  -5.586  -1.518   1.689
   94    HA   ARG  12           HA       ARG  12  -7.542  -2.884   3.135
   95   1HB   ARG  12          2HB       ARG  12  -8.078  -1.253   1.406
   96   2HB   ARG  12          1HB       ARG  12  -7.428  -2.323   0.172
   97   1HG   ARG  12          2HG       ARG  12  -9.184  -3.887   0.479
   98   2HG   ARG  12          1HG       ARG  12  -9.737  -3.074   1.944
   99   1HD   ARG  12          2HD       ARG  12  -9.769  -1.875  -0.825
  100   2HD   ARG  12          1HD       ARG  12 -11.159  -2.601  -0.021
  101    HE   ARG  12           HE       ARG  12 -10.155   0.024   0.360
  102   1HH1  ARG  12          1HH1      ARG  12 -11.673  -2.623   2.080
  103   2HH1  ARG  12          2HH1      ARG  12 -12.339  -1.610   3.317
  104   1HH2  ARG  12          1HH2      ARG  12 -11.037   1.370   1.989
  105   2HH2  ARG  12          2HH2      ARG  12 -11.977   0.669   3.263
  106    H    ALA  13           H        ALA  13  -5.508  -4.033   0.469
  107    HA   ALA  13           HA       ALA  13  -6.708  -6.664   0.597
  108   1HB   ALA  13          1HB       ALA  13  -6.049  -6.694  -1.523
  109   2HB   ALA  13          2HB       ALA  13  -4.376  -6.774  -0.968
  110   3HB   ALA  13          3HB       ALA  13  -5.124  -5.210  -1.292
  111    H    GLY  14           H        GLY  14  -4.648  -5.121   2.517
  112   1HA   GLY  14          2HA       GLY  14  -3.168  -5.762   4.147
  113   2HA   GLY  14          1HA       GLY  14  -3.756  -7.387   3.900
  114    H    ILE  15           H        ILE  15  -2.469  -5.807   1.193
  115    HA   ILE  15           HA       ILE  15  -0.223  -7.651   1.197
  116    HB   ILE  15           HB       ILE  15   0.183  -6.786  -1.128
  117   1HG1  ILE  15          2HG1      ILE  15  -2.446  -5.375  -0.615
  118   2HG1  ILE  15          1HG1      ILE  15  -0.890  -4.604  -0.906
  119   1HG2  ILE  15          1HG2      ILE  15  -2.427  -8.077  -0.385
  120   2HG2  ILE  15          2HG2      ILE  15  -0.938  -8.845  -0.938
  121   3HG2  ILE  15          3HG2      ILE  15  -1.907  -7.890  -2.059
  122   1HD1  ILE  15          1HD1      ILE  15  -1.676  -4.443  -2.999
  123   2HD1  ILE  15          2HD1      ILE  15  -2.805  -5.781  -2.793
  124   3HD1  ILE  15          3HD1      ILE  15  -1.105  -6.106  -3.128
  125    H    GLY  16           H        GLY  16  -0.535  -5.215   2.887
  126   1HA   GLY  16          2HA       GLY  16   1.298  -3.225   2.100
  127   2HA   GLY  16          1HA       GLY  16   0.837  -3.584   3.758
  128    H    HIS  17           H        HIS  17   1.765  -6.291   3.754
  129    HA   HIS  17           HA       HIS  17   4.503  -5.812   4.390
  130   1HB   HIS  17          2HB       HIS  17   2.929  -7.474   5.530
  131   2HB   HIS  17          1HB       HIS  17   3.192  -8.520   4.141
  132    HD1  HIS  17           1HD      HIS  17   4.078 -10.002   6.344
  133    HD2  HIS  17           2HD      HIS  17   6.509  -6.943   4.924
  134    HE1  HIS  17           1HE      HIS  17   6.375 -10.496   7.240
  135    H    LYS  18           H        LYS  18   2.810  -6.889   1.611
  136    HA   LYS  18           HA       LYS  18   5.099  -8.134   0.369
  137   1HB   LYS  18          2HB       LYS  18   2.342  -7.484  -0.673
  138   2HB   LYS  18          1HB       LYS  18   3.582  -8.292  -1.622
  139   1HG   LYS  18          2HG       LYS  18   3.626 -10.118   0.018
  140   2HG   LYS  18          1HG       LYS  18   2.345  -9.313   0.926
  141   1HD   LYS  18          2HD       LYS  18   1.441 -11.081  -0.498
  142   2HD   LYS  18          1HD       LYS  18   0.855  -9.495  -1.002
  143   1HE   LYS  18          2HE       LYS  18   1.474 -10.862  -2.929
  144   2HE   LYS  18          1HE       LYS  18   2.514  -9.445  -2.795
  145   1HZ   LYS  18          1HZ       LYS  18   4.242 -10.807  -2.828
  146   2HZ   LYS  18          2HZ       LYS  18   3.241 -12.169  -2.831
  147   3HZ   LYS  18          3HZ       LYS  18   3.736 -11.488  -1.364
  148    H    TYR  19           H        TYR  19   3.444  -5.042   0.244
  149    HA   TYR  19           HA       TYR  19   5.054  -4.164  -2.015
  150   1HB   TYR  19          2HB       TYR  19   2.805  -2.930  -0.446
  151   2HB   TYR  19          1HB       TYR  19   3.777  -1.960  -1.547
  152    HD1  TYR  19           1HD      TYR  19   2.881  -5.491  -2.177
  153    HD2  TYR  19           2HD      TYR  19   2.021  -1.423  -3.068
  154    HE1  TYR  19           1HE      TYR  19   1.471  -6.208  -4.058
  155    HE2  TYR  19           2HE      TYR  19   0.607  -2.129  -4.951
  156    HH   TYR  19           HH       TYR  19   0.473  -4.194  -6.480
  157    HA   PRO  20           HA       PRO  20   8.309  -2.895   0.821
  158   1HB   PRO  20          2HB       PRO  20   9.299  -1.673  -1.702
  159   2HB   PRO  20          1HB       PRO  20  10.135  -2.729  -0.558
  160   1HG   PRO  20          2HG       PRO  20   9.303  -3.666  -2.904
  161   2HG   PRO  20          1HG       PRO  20   9.181  -4.654  -1.436
  162   1HD   PRO  20          2HD       PRO  20   7.049  -3.143  -2.890
  163   2HD   PRO  20          1HD       PRO  20   6.968  -4.734  -2.103
  164    H    PHE  21           H        PHE  21   7.092  -0.703  -1.704
  165    HA   PHE  21           HA       PHE  21   7.742   1.634  -0.165
  166   1HB   PHE  21          2HB       PHE  21   6.463   2.793  -2.069
  167   2HB   PHE  21          1HB       PHE  21   7.964   1.967  -2.467
  168    HD1  PHE  21           1HD      PHE  21   7.967   0.744  -4.388
  169    HD2  PHE  21           2HD      PHE  21   4.318   1.141  -2.234
  170    HE1  PHE  21           1HE      PHE  21   6.804  -0.552  -6.126
  171    HE2  PHE  21           2HE      PHE  21   3.151  -0.158  -3.965
  172    HZ   PHE  21           HZ       PHE  21   4.393  -1.006  -5.915
  173    H    CYS  22           H        CYS  22   5.339  -0.547   0.201
  174    HA   CYS  22           HA       CYS  22   3.651   1.426   1.542
  175   1HB   CYS  22          2HB       CYS  22   2.662  -0.580  -0.493
  176   2HB   CYS  22          1HB       CYS  22   1.606   0.162   0.701
  177    H    HIS  23           H        HIS  23   5.279   0.113   3.001
  178    HA   HIS  23           HA       HIS  23   4.560  -2.523   3.776
  179   1HB   HIS  23          2HB       HIS  23   6.389  -0.425   4.851
  180   2HB   HIS  23          1HB       HIS  23   5.958  -1.776   5.893
  181    HD1  HIS  23           1HD      HIS  23   8.834  -1.619   5.191
  182    HD2  HIS  23           2HD      HIS  23   6.086  -3.568   2.758
  183    HE1  HIS  23           1HE      HIS  23  10.177  -3.257   3.840
  184    H    CYS  24           H        CYS  24   2.250  -1.400   3.746
  185    HA   CYS  24           HA       CYS  24   1.357  -0.317   6.253
  186   1HB   CYS  24          2HB       CYS  24   0.421   0.079   3.887
  187   2HB   CYS  24          1HB       CYS  24  -0.362  -1.485   4.078
  188    H    ARG  25           H        ARG  25  -0.809  -1.469   7.040
  189    HA   ARG  25           HA       ARG  25  -0.797  -4.315   7.049
  190   1HB   ARG  25          2HB       ARG  25  -0.012  -4.828   9.186
  191   2HB   ARG  25          1HB       ARG  25   1.143  -3.640   8.613
  192   1HG   ARG  25          2HG       ARG  25  -1.143  -3.101  10.500
  193   2HG   ARG  25          1HG       ARG  25   0.547  -3.296  10.955
  194   1HD   ARG  25          2HD       ARG  25  -0.674  -1.087   9.310
  195   2HD   ARG  25          1HD       ARG  25   0.037  -0.959  10.916
  196    HE   ARG  25           HE       ARG  25   1.896  -1.918   8.958
  197   1HH1  ARG  25          1HH1      ARG  25   0.448   0.936  10.361
  198   2HH1  ARG  25          2HH1      ARG  25   1.703   2.002   9.823
  199   1HH2  ARG  25          1HH2      ARG  25   3.548  -0.512   8.203
  200   2HH2  ARG  25          2HH2      ARG  25   3.474   1.175   8.600
  201   1HN   NH2  26          1H        ARG  25  -2.538  -5.160   8.521
  202   2HN   NH2  26          2H        ARG  25  -3.956  -4.184   8.390
  Start of MODEL   17
    1   1H    PHE   1          1HT       PHE   1   8.488  13.644   1.190
    2   2H    PHE   1          2HT       PHE   1   6.879  13.630   1.709
    3   3H    PHE   1          3HT       PHE   1   7.546  15.044   1.061
    4    HA   PHE   1           HA       PHE   1   7.042  14.463  -0.985
    5   1HB   PHE   1          2HB       PHE   1   7.795  12.273  -1.902
    6   2HB   PHE   1          1HB       PHE   1   9.073  13.132  -1.055
    7    HD1  PHE   1           1HD      PHE   1  10.225  12.131   0.715
    8    HD2  PHE   1           2HD      PHE   1   6.622  10.366  -0.709
    9    HE1  PHE   1           1HE      PHE   1  10.671  10.130   2.073
   10    HE2  PHE   1           2HE      PHE   1   7.060   8.366   0.654
   11    HZ   PHE   1           HZ       PHE   1   9.087   8.246   2.047
   12    HA   PRO   2           HA       PRO   2   2.991  12.770  -0.543
   13   1HB   PRO   2          2HB       PRO   2   2.836  12.251  -3.407
   14   2HB   PRO   2          1HB       PRO   2   1.996  13.476  -2.454
   15   1HG   PRO   2          2HG       PRO   2   3.940  14.075  -4.249
   16   2HG   PRO   2          1HG       PRO   2   3.623  15.051  -2.803
   17   1HD   PRO   2          2HD       PRO   2   5.768  13.021  -3.293
   18   2HD   PRO   2          1HD       PRO   2   5.862  14.583  -2.449
   19    H    ARG   3           H        ARG   3   2.257  10.795  -0.025
   20    HA   ARG   3           HA       ARG   3   3.799   8.487  -0.752
   21   1HB   ARG   3          2HB       ARG   3   1.276   8.758   0.887
   22   2HB   ARG   3          1HB       ARG   3   2.143   7.247   0.651
   23   1HG   ARG   3          2HG       ARG   3   4.144   8.317   1.686
   24   2HG   ARG   3          1HG       ARG   3   3.133   9.713   2.063
   25   1HD   ARG   3          2HD       ARG   3   1.640   8.270   3.367
   26   2HD   ARG   3          1HD       ARG   3   2.665   6.884   3.001
   27    HE   ARG   3           HE       ARG   3   4.096   7.555   4.641
   28   1HH1  ARG   3          1HH1      ARG   3   2.017  10.254   3.839
   29   2HH1  ARG   3          2HH1      ARG   3   2.639  11.278   5.090
   30   1HH2  ARG   3          1HH2      ARG   3   4.928   8.900   6.295
   31   2HH2  ARG   3          2HH2      ARG   3   4.302  10.504   6.492
   32    HA   PRO   4           HA       PRO   4   1.551   7.243  -4.314
   33   1HB   PRO   4          2HB       PRO   4   1.884   4.527  -4.119
   34   2HB   PRO   4          1HB       PRO   4   3.119   5.635  -4.722
   35   1HG   PRO   4          2HG       PRO   4   2.837   4.399  -2.018
   36   2HG   PRO   4          1HG       PRO   4   4.302   4.684  -2.976
   37   1HD   PRO   4          2HD       PRO   4   3.586   6.272  -0.908
   38   2HD   PRO   4          1HD       PRO   4   4.441   6.896  -2.332
   39    H    ARG   5           H        ARG   5  -0.503   6.756  -4.811
   40    HA   ARG   5           HA       ARG   5  -2.404   6.326  -2.764
   41   1HB   ARG   5          2HB       ARG   5  -2.491   6.553  -5.728
   42   2HB   ARG   5          1HB       ARG   5  -3.876   5.821  -4.930
   43   1HG   ARG   5          2HG       ARG   5  -4.114   8.254  -5.333
   44   2HG   ARG   5          1HG       ARG   5  -4.265   7.796  -3.637
   45   1HD   ARG   5          2HD       ARG   5  -1.959   8.488  -3.239
   46   2HD   ARG   5          1HD       ARG   5  -1.785   8.915  -4.939
   47    HE   ARG   5           HE       ARG   5  -3.948  10.349  -3.996
   48   1HH1  ARG   5          1HH1      ARG   5  -0.542  10.103  -3.214
   49   2HH1  ARG   5          2HH1      ARG   5  -0.393  11.769  -2.768
   50   1HH2  ARG   5          1HH2      ARG   5  -3.758  12.553  -3.395
   51   2HH2  ARG   5          2HH2      ARG   5  -2.230  13.166  -2.864
   52    H    ILE   6           H        ILE   6  -0.446   4.185  -4.481
   53    HA   ILE   6           HA       ILE   6  -2.032   1.886  -4.688
   54    HB   ILE   6           HB       ILE   6   0.916   1.967  -4.059
   55   1HG1  ILE   6          2HG1      ILE   6  -0.435   2.061  -6.770
   56   2HG1  ILE   6          1HG1      ILE   6   0.369   3.419  -5.990
   57   1HG2  ILE   6          1HG2      ILE   6  -0.291  -0.088  -5.823
   58   2HG2  ILE   6          2HG2      ILE   6  -0.614  -0.210  -4.094
   59   3HG2  ILE   6          3HG2      ILE   6   1.048  -0.218  -4.685
   60   1HD1  ILE   6          1HD1      ILE   6   1.510   1.695  -7.773
   61   2HD1  ILE   6          2HD1      ILE   6   2.060   1.061  -6.222
   62   3HD1  ILE   6          3HD1      ILE   6   2.382   2.740  -6.651
   63    H    CYS   7           H        CYS   7  -0.282   3.304  -2.022
   64    HA   CYS   7           HA       CYS   7  -0.247   1.191  -0.218
   65   1HB   CYS   7          2HB       CYS   7  -0.533   4.159   0.257
   66   2HB   CYS   7          1HB       CYS   7  -0.238   2.990   1.532
   67    H    ASN   8           H        ASN   8  -2.817   3.302  -1.202
   68    HA   ASN   8           HA       ASN   8  -4.645   2.849   0.907
   69   1HB   ASN   8          2HB       ASN   8  -5.079   3.563  -1.995
   70   2HB   ASN   8          1HB       ASN   8  -6.398   3.438  -0.840
   71   1HD2  ASN   8          1HD2      ASN   8  -3.980   4.498   1.007
   72   2HD2  ASN   8          2HD2      ASN   8  -4.181   6.204   0.838
   73    H    LEU   9           H        LEU   9  -4.067   1.180  -2.125
   74    HA   LEU   9           HA       LEU   9  -6.127  -0.771  -1.726
   75   1HB   LEU   9          2HB       LEU   9  -5.539  -0.266  -3.976
   76   2HB   LEU   9          1HB       LEU   9  -3.834  -0.520  -3.660
   77    HG   LEU   9           HG       LEU   9  -4.318  -2.940  -3.304
   78   1HD1  LEU   9          1HD1      LEU   9  -7.035  -2.212  -4.398
   79   2HD1  LEU   9          2HD1      LEU   9  -6.693  -2.737  -2.749
   80   3HD1  LEU   9          3HD1      LEU   9  -6.438  -3.843  -4.099
   81   1HD2  LEU   9          1HD2      LEU   9  -3.672  -3.148  -5.413
   82   2HD2  LEU   9          2HD2      LEU   9  -4.127  -1.470  -5.703
   83   3HD2  LEU   9          3HD2      LEU   9  -5.294  -2.762  -5.980
   84    H    ALA  10           H        ALA  10  -2.660  -0.613  -1.377
   85    HA   ALA  10           HA       ALA  10  -2.041  -3.226  -0.792
   86   1HB   ALA  10          1HB       ALA  10  -0.134  -2.043  -0.989
   87   2HB   ALA  10          2HB       ALA  10  -0.257  -1.986   0.770
   88   3HB   ALA  10          3HB       ALA  10  -0.807  -0.618  -0.198
   89    H    CYS  11           H        CYS  11  -3.077  -0.710   1.523
   90    HA   CYS  11           HA       CYS  11  -2.804  -2.360   3.801
   91   1HB   CYS  11          2HB       CYS  11  -4.705  -0.027   3.470
   92   2HB   CYS  11          1HB       CYS  11  -4.146  -0.708   4.986
   93    H    ARG  12           H        ARG  12  -5.674  -1.546   1.849
   94    HA   ARG  12           HA       ARG  12  -7.478  -3.048   3.391
   95   1HB   ARG  12          2HB       ARG  12  -9.079  -2.722   1.647
   96   2HB   ARG  12          1HB       ARG  12  -8.133  -1.251   1.803
   97   1HG   ARG  12          2HG       ARG  12  -6.779  -1.991  -0.148
   98   2HG   ARG  12          1HG       ARG  12  -7.891  -3.349  -0.338
   99   1HD   ARG  12          2HD       ARG  12  -8.584  -1.629  -1.838
  100   2HD   ARG  12          1HD       ARG  12  -9.753  -1.691  -0.518
  101    HE   ARG  12           HE       ARG  12  -7.756   0.207   0.080
  102   1HH1  ARG  12          1HH1      ARG  12 -10.491  -0.265  -2.054
  103   2HH1  ARG  12          2HH1      ARG  12 -10.815   1.428  -2.230
  104   1HH2  ARG  12          1HH2      ARG  12  -8.182   2.444  -0.141
  105   2HH2  ARG  12          2HH2      ARG  12  -9.493   2.976  -1.138
  106    H    ALA  13           H        ALA  13  -5.484  -3.967   0.633
  107    HA   ALA  13           HA       ALA  13  -6.718  -6.592   0.524
  108   1HB   ALA  13          1HB       ALA  13  -5.201  -7.023  -1.335
  109   2HB   ALA  13          2HB       ALA  13  -4.378  -5.494  -1.026
  110   3HB   ALA  13          3HB       ALA  13  -6.058  -5.498  -1.561
  111    H    GLY  14           H        GLY  14  -4.646  -5.215   2.546
  112   1HA   GLY  14          2HA       GLY  14  -3.138  -5.977   4.096
  113   2HA   GLY  14          1HA       GLY  14  -3.752  -7.573   3.748
  114    H    ILE  15           H        ILE  15  -2.450  -5.808   1.157
  115    HA   ILE  15           HA       ILE  15  -0.197  -7.663   1.065
  116    HB   ILE  15           HB       ILE  15   0.152  -6.843  -1.250
  117   1HG1  ILE  15          2HG1      ILE  15  -2.357  -5.242  -0.698
  118   2HG1  ILE  15          1HG1      ILE  15  -0.747  -4.586  -0.979
  119   1HG2  ILE  15          1HG2      ILE  15  -1.894  -8.487  -0.271
  120   2HG2  ILE  15          2HG2      ILE  15  -1.187  -8.494  -1.887
  121   3HG2  ILE  15          3HG2      ILE  15  -2.620  -7.521  -1.556
  122   1HD1  ILE  15          1HD1      ILE  15  -2.278  -6.198  -3.004
  123   2HD1  ILE  15          2HD1      ILE  15  -0.783  -5.297  -3.253
  124   3HD1  ILE  15          3HD1      ILE  15  -2.287  -4.436  -2.922
  125    H    GLY  16           H        GLY  16  -0.612  -5.231   2.762
  126   1HA   GLY  16          2HA       GLY  16   1.169  -3.189   2.011
  127   2HA   GLY  16          1HA       GLY  16   0.699  -3.567   3.662
  128    H    HIS  17           H        HIS  17   1.738  -6.175   3.821
  129    HA   HIS  17           HA       HIS  17   4.481  -5.542   4.324
  130   1HB   HIS  17          2HB       HIS  17   2.925  -8.110   4.602
  131   2HB   HIS  17          1HB       HIS  17   4.629  -7.967   5.021
  132    HD1  HIS  17           1HD      HIS  17   4.881  -5.572   6.670
  133    HD2  HIS  17           2HD      HIS  17   1.479  -7.948   6.871
  134    HE1  HIS  17           1HE      HIS  17   3.841  -5.067   8.900
  135    H    LYS  18           H        LYS  18   2.805  -6.735   1.646
  136    HA   LYS  18           HA       LYS  18   5.024  -8.203   0.523
  137   1HB   LYS  18          2HB       LYS  18   2.343  -7.411  -0.619
  138   2HB   LYS  18          1HB       LYS  18   3.536  -8.371  -1.482
  139   1HG   LYS  18          2HG       LYS  18   3.344 -10.151   0.111
  140   2HG   LYS  18          1HG       LYS  18   2.299  -9.171   1.144
  141   1HD   LYS  18          2HD       LYS  18   1.007 -10.789  -0.169
  142   2HD   LYS  18          1HD       LYS  18   0.595  -9.129  -0.601
  143   1HE   LYS  18          2HE       LYS  18   2.143  -9.310  -2.536
  144   2HE   LYS  18          1HE       LYS  18   2.393 -11.006  -2.130
  145   1HZ   LYS  18          1HZ       LYS  18   0.533 -11.539  -3.185
  146   2HZ   LYS  18          2HZ       LYS  18   0.391  -9.937  -3.708
  147   3HZ   LYS  18          3HZ       LYS  18  -0.374 -10.429  -2.282
  148    H    TYR  19           H        TYR  19   3.472  -5.068   0.130
  149    HA   TYR  19           HA       TYR  19   5.335  -4.361  -2.012
  150   1HB   TYR  19          2HB       TYR  19   2.921  -2.949  -0.864
  151   2HB   TYR  19          1HB       TYR  19   3.966  -2.230  -2.084
  152    HD1  TYR  19           1HD      TYR  19   2.806  -5.767  -1.859
  153    HD2  TYR  19           2HD      TYR  19   2.560  -2.073  -3.953
  154    HE1  TYR  19           1HE      TYR  19   1.500  -6.864  -3.622
  155    HE2  TYR  19           2HE      TYR  19   1.250  -3.165  -5.728
  156    HH   TYR  19           HH       TYR  19   0.467  -5.102  -6.517
  157    HA   PRO  20           HA       PRO  20   8.135  -2.831   1.184
  158   1HB   PRO  20          2HB       PRO  20   9.798  -1.649  -0.728
  159   2HB   PRO  20          1HB       PRO  20   9.964  -3.278  -0.066
  160   1HG   PRO  20          2HG       PRO  20   8.711  -2.387  -2.622
  161   2HG   PRO  20          1HG       PRO  20   9.664  -3.844  -2.283
  162   1HD   PRO  20          2HD       PRO  20   7.007  -3.960  -2.530
  163   2HD   PRO  20          1HD       PRO  20   7.855  -4.948  -1.319
  164    H    PHE  21           H        PHE  21   7.259  -0.796  -1.615
  165    HA   PHE  21           HA       PHE  21   7.796   1.637  -0.269
  166   1HB   PHE  21          2HB       PHE  21   6.451   2.652  -2.185
  167   2HB   PHE  21          1HB       PHE  21   7.899   1.753  -2.612
  168    HD1  PHE  21           1HD      PHE  21   4.208   1.337  -2.293
  169    HD2  PHE  21           2HD      PHE  21   7.796   0.124  -4.231
  170    HE1  PHE  21           1HE      PHE  21   2.896  -0.042  -3.847
  171    HE2  PHE  21           2HE      PHE  21   6.490  -1.259  -5.790
  172    HZ   PHE  21           HZ       PHE  21   4.036  -1.343  -5.600
  173    H    CYS  22           H        CYS  22   5.135  -0.501  -0.154
  174    HA   CYS  22           HA       CYS  22   3.646   1.498   1.406
  175   1HB   CYS  22          2HB       CYS  22   2.553  -0.450  -0.625
  176   2HB   CYS  22          1HB       CYS  22   1.541   0.297   0.606
  177    H    HIS  23           H        HIS  23   5.314   0.092   2.741
  178    HA   HIS  23           HA       HIS  23   4.563  -2.507   3.549
  179   1HB   HIS  23          2HB       HIS  23   6.129  -2.041   5.511
  180   2HB   HIS  23          1HB       HIS  23   6.826  -1.971   3.898
  181    HD1  HIS  23           1HD      HIS  23   7.379   0.450   2.962
  182    HD2  HIS  23           2HD      HIS  23   6.328   0.273   6.987
  183    HE1  HIS  23           1HE      HIS  23   8.038   2.674   3.934
  184    H    CYS  24           H        CYS  24   2.292  -1.419   3.649
  185    HA   CYS  24           HA       CYS  24   1.506  -0.292   6.170
  186   1HB   CYS  24          2HB       CYS  24   0.453   0.106   3.896
  187   2HB   CYS  24          1HB       CYS  24  -0.238  -1.505   4.030
  188    H    ARG  25           H        ARG  25  -0.662  -1.460   6.999
  189    HA   ARG  25           HA       ARG  25   0.229  -3.772   8.375
  190   1HB   ARG  25          2HB       ARG  25  -2.561  -2.640   8.080
  191   2HB   ARG  25          1HB       ARG  25  -2.104  -3.898   9.219
  192   1HG   ARG  25          2HG       ARG  25  -1.018  -1.088   9.189
  193   2HG   ARG  25          1HG       ARG  25  -2.257  -1.703  10.285
  194   1HD   ARG  25          2HD       ARG  25   0.587  -2.695  10.081
  195   2HD   ARG  25          1HD       ARG  25  -0.060  -1.664  11.357
  196    HE   ARG  25           HE       ARG  25  -1.600  -4.009  11.200
  197   1HH1  ARG  25          1HH1      ARG  25   1.588  -2.944  12.160
  198   2HH1  ARG  25          2HH1      ARG  25   1.808  -4.206  13.325
  199   1HH2  ARG  25          1HH2      ARG  25  -1.320  -5.693  12.734
  200   2HH2  ARG  25          2HH2      ARG  25   0.149  -5.781  13.649
  201   1HN   NH2  26          1H        ARG  25  -2.656  -5.008   5.791
  202   2HN   NH2  26          2H        ARG  25  -2.025  -3.413   5.591
  Start of MODEL   18
    1   1H    PHE   1          1HT       PHE   1   4.385  10.715   7.497
    2   2H    PHE   1          2HT       PHE   1   3.200  11.124   6.362
    3   3H    PHE   1          3HT       PHE   1   4.500  12.169   6.638
    4    HA   PHE   1           HA       PHE   1   5.918  11.011   5.364
    5   1HB   PHE   1          2HB       PHE   1   5.852   9.095   6.902
    6   2HB   PHE   1          1HB       PHE   1   4.344   8.549   6.180
    7    HD1  PHE   1           1HD      PHE   1   7.692   9.592   4.873
    8    HD2  PHE   1           2HD      PHE   1   4.595   6.674   4.909
    9    HE1  PHE   1           1HE      PHE   1   8.957   8.234   3.258
   10    HE2  PHE   1           2HE      PHE   1   5.855   5.311   3.294
   11    HZ   PHE   1           HZ       PHE   1   8.038   6.092   2.465
   12    HA   PRO   2           HA       PRO   2   3.094  11.356   1.892
   13   1HB   PRO   2          2HB       PRO   2   5.398  11.525   0.157
   14   2HB   PRO   2          1HB       PRO   2   4.295  12.812   0.643
   15   1HG   PRO   2          2HG       PRO   2   6.917  12.675   1.419
   16   2HG   PRO   2          1HG       PRO   2   5.653  13.505   2.343
   17   1HD   PRO   2          2HD       PRO   2   6.849  10.794   2.771
   18   2HD   PRO   2          1HD       PRO   2   6.389  12.027   3.964
   19    H    ARG   3           H        ARG   3   2.856   8.946   2.488
   20    HA   ARG   3           HA       ARG   3   4.294   7.058   0.919
   21   1HB   ARG   3          2HB       ARG   3   2.586   5.432   1.739
   22   2HB   ARG   3          1HB       ARG   3   3.410   6.317   3.010
   23   1HG   ARG   3          2HG       ARG   3   1.218   6.301   3.727
   24   2HG   ARG   3          1HG       ARG   3   1.352   7.877   2.944
   25   1HD   ARG   3          2HD       ARG   3   0.227   7.105   1.007
   26   2HD   ARG   3          1HD       ARG   3   0.344   5.425   1.525
   27    HE   ARG   3           HE       ARG   3  -1.108   6.842   3.449
   28   1HH1  ARG   3          1HH1      ARG   3  -1.382   5.861   0.113
   29   2HH1  ARG   3          2HH1      ARG   3  -3.112   5.697   0.163
   30   1HH2  ARG   3          1HH2      ARG   3  -3.404   6.629   3.527
   31   2HH2  ARG   3          2HH2      ARG   3  -4.261   6.123   2.104
   32    HA   PRO   4           HA       PRO   4   2.360   7.221  -3.005
   33   1HB   PRO   4          2HB       PRO   4   2.357   4.250  -2.889
   34   2HB   PRO   4          1HB       PRO   4   3.041   5.331  -4.109
   35   1HG   PRO   4          2HG       PRO   4   4.615   4.067  -2.371
   36   2HG   PRO   4          1HG       PRO   4   4.953   5.737  -2.866
   37   1HD   PRO   4          2HD       PRO   4   3.762   4.717  -0.323
   38   2HD   PRO   4          1HD       PRO   4   4.881   6.070  -0.584
   39    H    ARG   5           H        ARG   5   0.417   6.930  -4.069
   40    HA   ARG   5           HA       ARG   5  -1.901   6.695  -2.497
   41   1HB   ARG   5          2HB       ARG   5  -3.138   6.772  -4.631
   42   2HB   ARG   5          1HB       ARG   5  -1.906   8.018  -4.528
   43   1HG   ARG   5          2HG       ARG   5  -0.456   6.780  -5.994
   44   2HG   ARG   5          1HG       ARG   5  -1.575   5.415  -6.005
   45   1HD   ARG   5          2HD       ARG   5  -3.279   6.840  -7.056
   46   2HD   ARG   5          1HD       ARG   5  -2.137   8.182  -7.070
   47    HE   ARG   5           HE       ARG   5  -2.243   5.968  -8.891
   48   1HH1  ARG   5          1HH1      ARG   5  -0.173   8.444  -7.526
   49   2HH1  ARG   5          2HH1      ARG   5   1.002   8.346  -8.796
   50   1HH2  ARG   5          1HH2      ARG   5  -0.694   5.838 -10.572
   51   2HH2  ARG   5          2HH2      ARG   5   0.703   6.860 -10.533
   52    H    ILE   6           H        ILE   6  -0.024   4.361  -4.192
   53    HA   ILE   6           HA       ILE   6  -1.879   2.298  -4.596
   54    HB   ILE   6           HB       ILE   6   1.029   1.971  -3.887
   55   1HG1  ILE   6          2HG1      ILE   6  -0.202   2.456  -6.611
   56   2HG1  ILE   6          1HG1      ILE   6   0.733   3.633  -5.696
   57   1HG2  ILE   6          1HG2      ILE   6   0.934  -0.145  -4.765
   58   2HG2  ILE   6          2HG2      ILE   6  -0.416   0.240  -5.832
   59   3HG2  ILE   6          3HG2      ILE   6  -0.696  -0.005  -4.107
   60   1HD1  ILE   6          1HD1      ILE   6   2.637   1.962  -5.778
   61   2HD1  ILE   6          2HD1      ILE   6   2.203   2.756  -7.292
   62   3HD1  ILE   6          3HD1      ILE   6   1.683   1.099  -6.983
   63    H    CYS   7           H        CYS   7  -0.110   3.326  -1.772
   64    HA   CYS   7           HA       CYS   7  -0.246   1.128  -0.125
   65   1HB   CYS   7          2HB       CYS   7  -0.559   4.044   0.581
   66   2HB   CYS   7          1HB       CYS   7  -0.297   2.767   1.752
   67    H    ASN   8           H        ASN   8  -2.790   3.284  -1.081
   68    HA   ASN   8           HA       ASN   8  -4.670   2.778   0.940
   69   1HB   ASN   8          2HB       ASN   8  -5.096   3.438  -1.978
   70   2HB   ASN   8          1HB       ASN   8  -6.409   3.330  -0.813
   71   1HD2  ASN   8          1HD2      ASN   8  -4.861   5.503  -2.438
   72   2HD2  ASN   8          2HD2      ASN   8  -4.743   6.791  -1.291
   73    H    LEU   9           H        LEU   9  -4.249   1.142  -2.198
   74    HA   LEU   9           HA       LEU   9  -6.200  -0.848  -1.553
   75   1HB   LEU   9          2HB       LEU   9  -5.485  -1.954  -3.628
   76   2HB   LEU   9          1HB       LEU   9  -5.885  -0.268  -3.868
   77    HG   LEU   9           HG       LEU   9  -3.244  -0.002  -3.569
   78   1HD1  LEU   9          1HD1      LEU   9  -2.565  -2.205  -3.228
   79   2HD1  LEU   9          2HD1      LEU   9  -2.244  -1.925  -4.940
   80   3HD1  LEU   9          3HD1      LEU   9  -3.673  -2.836  -4.447
   81   1HD2  LEU   9          1HD2      LEU   9  -3.829   0.895  -5.528
   82   2HD2  LEU   9          2HD2      LEU   9  -5.061  -0.331  -5.827
   83   3HD2  LEU   9          3HD2      LEU   9  -3.374  -0.662  -6.222
   84    H    ALA  10           H        ALA  10  -2.772  -0.490  -1.234
   85    HA   ALA  10           HA       ALA  10  -2.037  -3.162  -0.826
   86   1HB   ALA  10          1HB       ALA  10  -0.712  -0.935   0.672
   87   2HB   ALA  10          2HB       ALA  10  -0.568  -1.045  -1.083
   88   3HB   ALA  10          3HB       ALA  10   0.003  -2.369  -0.069
   89    H    CYS  11           H        CYS  11  -3.071  -0.684   1.520
   90    HA   CYS  11           HA       CYS  11  -2.847  -2.379   3.788
   91   1HB   CYS  11          2HB       CYS  11  -4.658   0.025   3.440
   92   2HB   CYS  11          1HB       CYS  11  -4.195  -0.706   4.965
   93    H    ARG  12           H        ARG  12  -5.514  -1.536   1.634
   94    HA   ARG  12           HA       ARG  12  -7.590  -2.794   2.999
   95   1HB   ARG  12          2HB       ARG  12  -7.964  -1.221   1.177
   96   2HB   ARG  12          1HB       ARG  12  -7.263  -2.355   0.031
   97   1HG   ARG  12          2HG       ARG  12  -9.080  -3.926   0.468
   98   2HG   ARG  12          1HG       ARG  12  -9.786  -2.788   1.618
   99   1HD   ARG  12          2HD       ARG  12 -10.077  -1.150  -0.166
  100   2HD   ARG  12          1HD       ARG  12  -9.337  -2.259  -1.319
  101    HE   ARG  12           HE       ARG  12 -11.350  -3.289  -1.527
  102   1HH1  ARG  12          1HH1      ARG  12 -11.359  -1.555   1.516
  103   2HH1  ARG  12          2HH1      ARG  12 -12.994  -1.976   1.901
  104   1HH2  ARG  12          1HH2      ARG  12 -13.513  -3.844  -1.025
  105   2HH2  ARG  12          2HH2      ARG  12 -14.223  -3.280   0.451
  106    H    ALA  13           H        ALA  13  -5.503  -4.093   0.431
  107    HA   ALA  13           HA       ALA  13  -6.761  -6.696   0.681
  108   1HB   ALA  13          1HB       ALA  13  -4.322  -6.245  -0.973
  109   2HB   ALA  13          2HB       ALA  13  -5.856  -5.535  -1.482
  110   3HB   ALA  13          3HB       ALA  13  -5.715  -7.283  -1.280
  111    H    GLY  14           H        GLY  14  -4.654  -5.148   2.518
  112   1HA   GLY  14          2HA       GLY  14  -3.125  -5.776   4.112
  113   2HA   GLY  14          1HA       GLY  14  -3.730  -7.399   3.899
  114    H    ILE  15           H        ILE  15  -2.489  -5.814   1.167
  115    HA   ILE  15           HA       ILE  15  -0.253  -7.678   1.115
  116    HB   ILE  15           HB       ILE  15   0.094  -6.844  -1.227
  117   1HG1  ILE  15          2HG1      ILE  15  -2.511  -5.401  -0.674
  118   2HG1  ILE  15          1HG1      ILE  15  -0.950  -4.646  -0.982
  119   1HG2  ILE  15          1HG2      ILE  15  -1.902  -8.000  -2.141
  120   2HG2  ILE  15          2HG2      ILE  15  -2.590  -8.015  -0.517
  121   3HG2  ILE  15          3HG2      ILE  15  -1.099  -8.894  -0.850
  122   1HD1  ILE  15          1HD1      ILE  15  -2.933  -5.301  -2.837
  123   2HD1  ILE  15          2HD1      ILE  15  -1.611  -6.434  -3.121
  124   3HD1  ILE  15          3HD1      ILE  15  -1.309  -4.696  -3.163
  125    H    GLY  16           H        GLY  16  -0.609  -5.156   2.721
  126   1HA   GLY  16          2HA       GLY  16   1.262  -3.222   1.870
  127   2HA   GLY  16          1HA       GLY  16   0.758  -3.488   3.536
  128    H    HIS  17           H        HIS  17   1.612  -6.080   3.906
  129    HA   HIS  17           HA       HIS  17   4.339  -5.669   4.496
  130   1HB   HIS  17          2HB       HIS  17   4.355  -8.044   5.210
  131   2HB   HIS  17          1HB       HIS  17   3.030  -7.128   5.905
  132    HD1  HIS  17           1HD      HIS  17   2.363  -9.838   6.213
  133    HD2  HIS  17           2HD      HIS  17   1.857  -8.091   2.475
  134    HE1  HIS  17           1HE      HIS  17   0.743 -11.320   4.990
  135    H    LYS  18           H        LYS  18   2.800  -6.692   1.656
  136    HA   LYS  18           HA       LYS  18   5.123  -8.109   0.631
  137   1HB   LYS  18          2HB       LYS  18   2.787  -8.916   0.218
  138   2HB   LYS  18          1HB       LYS  18   2.507  -7.479  -0.750
  139   1HG   LYS  18          2HG       LYS  18   4.803  -9.229  -1.462
  140   2HG   LYS  18          1HG       LYS  18   3.171  -9.781  -1.839
  141   1HD   LYS  18          2HD       LYS  18   2.767  -7.693  -3.071
  142   2HD   LYS  18          1HD       LYS  18   4.412  -7.170  -2.710
  143   1HE   LYS  18          2HE       LYS  18   5.306  -9.060  -3.949
  144   2HE   LYS  18          1HE       LYS  18   3.674  -9.646  -4.266
  145   1HZ   LYS  18          1HZ       LYS  18   4.507  -8.467  -6.172
  146   2HZ   LYS  18          2HZ       LYS  18   4.845  -7.097  -5.241
  147   3HZ   LYS  18          3HZ       LYS  18   3.242  -7.577  -5.486
  148    H    TYR  19           H        TYR  19   3.476  -5.027   0.281
  149    HA   TYR  19           HA       TYR  19   5.190  -4.258  -1.946
  150   1HB   TYR  19          2HB       TYR  19   2.878  -2.930  -0.555
  151   2HB   TYR  19          1HB       TYR  19   3.897  -2.037  -1.677
  152    HD1  TYR  19           1HD      TYR  19   2.641  -1.677  -3.593
  153    HD2  TYR  19           2HD      TYR  19   2.601  -5.539  -1.814
  154    HE1  TYR  19           1HE      TYR  19   1.336  -2.536  -5.495
  155    HE2  TYR  19           2HE      TYR  19   1.299  -6.407  -3.705
  156    HH   TYR  19           HH       TYR  19  -0.216  -4.424  -5.969
  157    HA   PRO  20           HA       PRO  20   8.327  -2.778   0.896
  158   1HB   PRO  20          2HB       PRO  20   9.818  -1.573  -1.103
  159   2HB   PRO  20          1HB       PRO  20   9.957  -3.263  -0.610
  160   1HG   PRO  20          2HG       PRO  20   8.461  -2.075  -2.907
  161   2HG   PRO  20          1HG       PRO  20   9.402  -3.576  -2.836
  162   1HD   PRO  20          2HD       PRO  20   6.724  -3.600  -2.753
  163   2HD   PRO  20          1HD       PRO  20   7.689  -4.748  -1.799
  164    H    PHE  21           H        PHE  21   7.145  -0.686  -1.741
  165    HA   PHE  21           HA       PHE  21   7.748   1.704  -0.272
  166   1HB   PHE  21          2HB       PHE  21   6.542   2.827  -2.200
  167   2HB   PHE  21          1HB       PHE  21   7.970   1.891  -2.618
  168    HD1  PHE  21           1HD      PHE  21   4.264   1.476  -2.350
  169    HD2  PHE  21           2HD      PHE  21   7.853   0.464  -4.402
  170    HE1  PHE  21           1HE      PHE  21   2.958   0.210  -4.003
  171    HE2  PHE  21           2HE      PHE  21   6.552  -0.805  -6.058
  172    HZ   PHE  21           HZ       PHE  21   4.101  -0.932  -5.862
  173    H    CYS  22           H        CYS  22   5.397  -0.492   0.178
  174    HA   CYS  22           HA       CYS  22   3.700   1.445   1.534
  175   1HB   CYS  22          2HB       CYS  22   2.723  -0.386  -0.659
  176   2HB   CYS  22          1HB       CYS  22   1.648   0.177   0.613
  177    H    HIS  23           H        HIS  23   5.343   0.012   2.863
  178    HA   HIS  23           HA       HIS  23   4.606  -2.652   3.461
  179   1HB   HIS  23          2HB       HIS  23   6.870  -1.451   3.823
  180   2HB   HIS  23          1HB       HIS  23   6.166  -0.912   5.346
  181    HD1  HIS  23           1HD      HIS  23   6.460  -4.262   3.541
  182    HD2  HIS  23           2HD      HIS  23   6.828  -2.605   7.340
  183    HE1  HIS  23           1HE      HIS  23   7.125  -6.164   5.044
  184    H    CYS  24           H        CYS  24   2.311  -1.514   3.586
  185    HA   CYS  24           HA       CYS  24   1.495  -0.629   6.196
  186   1HB   CYS  24          2HB       CYS  24   0.481  -0.004   3.937
  187   2HB   CYS  24          1HB       CYS  24  -0.251  -1.604   3.939
  188    H    ARG  25           H        ARG  25  -0.700  -1.869   6.858
  189    HA   ARG  25           HA       ARG  25   0.215  -4.435   7.790
  190   1HB   ARG  25          2HB       ARG  25  -2.451  -3.056   8.174
  191   2HB   ARG  25          1HB       ARG  25  -1.926  -4.508   9.016
  192   1HG   ARG  25          2HG       ARG  25  -0.063  -3.229  10.001
  193   2HG   ARG  25          1HG       ARG  25  -0.676  -1.775   9.208
  194   1HD   ARG  25          2HD       ARG  25  -2.793  -2.026  10.436
  195   2HD   ARG  25          1HD       ARG  25  -2.142  -3.447  11.250
  196    HE   ARG  25           HE       ARG  25  -1.701  -0.738  11.948
  197   1HH1  ARG  25          1HH1      ARG  25  -0.079  -3.844  11.853
  198   2HH1  ARG  25          2HH1      ARG  25   1.055  -3.437  13.097
  199   1HH2  ARG  25          1HH2      ARG  25  -0.208  -0.199  13.595
  200   2HH2  ARG  25          2HH2      ARG  25   0.979  -1.359  14.092
  201   1HN   NH2  26          1H        ARG  25  -3.241  -5.292   6.769
  202   2HN   NH2  26          2H        ARG  25  -2.994  -3.989   5.661
  Start of MODEL   19
    1   1H    PHE   1          1HT       PHE   1  10.411   9.886   4.347
    2   2H    PHE   1          2HT       PHE   1  10.203   8.570   5.389
    3   3H    PHE   1          3HT       PHE   1   8.854   9.332   4.709
    4    HA   PHE   1           HA       PHE   1  10.796   8.309   2.822
    5   1HB   PHE   1          2HB       PHE   1  10.791   6.545   4.529
    6   2HB   PHE   1          1HB       PHE   1   9.032   6.517   4.519
    7    HD1  PHE   1           1HD      PHE   1  11.741   6.328   1.944
    8    HD2  PHE   1           2HD      PHE   1   8.140   4.681   3.502
    9    HE1  PHE   1           1HE      PHE   1  11.777   4.603   0.191
   10    HE2  PHE   1           2HE      PHE   1   8.170   2.952   1.753
   11    HZ   PHE   1           HZ       PHE   1   9.990   2.911   0.095
   12    HA   PRO   2           HA       PRO   2   7.129   9.570   0.573
   13   1HB   PRO   2          2HB       PRO   2   8.520   8.596  -1.806
   14   2HB   PRO   2          1HB       PRO   2   8.060  10.246  -1.385
   15   1HG   PRO   2          2HG       PRO   2  10.635   9.423  -1.420
   16   2HG   PRO   2          1HG       PRO   2  10.044  10.665  -0.302
   17   1HD   PRO   2          2HD       PRO   2  10.577   7.759   0.202
   18   2HD   PRO   2          1HD       PRO   2  10.946   9.166   1.223
   19    H    ARG   3           H        ARG   3   5.330   8.476  -0.054
   20    HA   ARG   3           HA       ARG   3   5.617   5.687  -0.896
   21   1HB   ARG   3          2HB       ARG   3   3.755   6.668   1.267
   22   2HB   ARG   3          1HB       ARG   3   3.652   5.080   0.524
   23   1HG   ARG   3          2HG       ARG   3   5.983   4.649   1.300
   24   2HG   ARG   3          1HG       ARG   3   5.907   6.170   2.186
   25   1HD   ARG   3          2HD       ARG   3   3.972   3.892   2.571
   26   2HD   ARG   3          1HD       ARG   3   5.415   4.132   3.550
   27    HE   ARG   3           HE       ARG   3   4.408   5.966   4.571
   28   1HH1  ARG   3          1HH1      ARG   3   2.322   4.600   2.117
   29   2HH1  ARG   3          2HH1      ARG   3   0.916   5.458   2.655
   30   1HH2  ARG   3          1HH2      ARG   3   2.554   7.101   5.285
   31   2HH2  ARG   3          2HH2      ARG   3   1.047   6.882   4.460
   32    HA   PRO   4           HA       PRO   4   2.824   7.007  -4.038
   33   1HB   PRO   4          2HB       PRO   4   2.116   4.549  -4.961
   34   2HB   PRO   4          1HB       PRO   4   3.672   5.307  -5.317
   35   1HG   PRO   4          2HG       PRO   4   3.001   3.218  -3.290
   36   2HG   PRO   4          1HG       PRO   4   4.422   3.344  -4.342
   37   1HD   PRO   4          2HD       PRO   4   4.450   4.058  -1.721
   38   2HD   PRO   4          1HD       PRO   4   5.480   4.830  -2.940
   39    H    ARG   5           H        ARG   5   0.566   6.645  -4.744
   40    HA   ARG   5           HA       ARG   5  -1.190   6.696  -2.513
   41   1HB   ARG   5          2HB       ARG   5  -1.888   6.493  -5.447
   42   2HB   ARG   5          1HB       ARG   5  -2.981   6.960  -4.152
   43   1HG   ARG   5          2HG       ARG   5  -0.563   8.490  -5.094
   44   2HG   ARG   5          1HG       ARG   5  -2.251   8.904  -5.386
   45   1HD   ARG   5          2HD       ARG   5  -1.674  10.296  -3.622
   46   2HD   ARG   5          1HD       ARG   5  -2.449   8.938  -2.808
   47    HE   ARG   5           HE       ARG   5   0.267   8.377  -2.900
   48   1HH1  ARG   5          1HH1      ARG   5  -1.827  10.785  -1.473
   49   2HH1  ARG   5          2HH1      ARG   5  -0.770  11.107  -0.140
   50   1HH2  ARG   5          1HH2      ARG   5   1.686   8.793  -1.143
   51   2HH2  ARG   5          2HH2      ARG   5   1.233   9.975   0.045
   52    H    ILE   6           H        ILE   6  -0.061   4.229  -4.592
   53    HA   ILE   6           HA       ILE   6  -2.000   2.287  -4.671
   54    HB   ILE   6           HB       ILE   6   0.895   1.704  -4.115
   55   1HG1  ILE   6          2HG1      ILE   6  -0.376   2.364  -6.784
   56   2HG1  ILE   6          1HG1      ILE   6   0.687   3.438  -5.881
   57   1HG2  ILE   6          1HG2      ILE   6  -1.395   0.135  -4.932
   58   2HG2  ILE   6          2HG2      ILE   6   0.195  -0.393  -4.382
   59   3HG2  ILE   6          3HG2      ILE   6  -0.064  -0.003  -6.082
   60   1HD1  ILE   6          1HD1      ILE   6   1.354   1.366  -7.726
   61   2HD1  ILE   6          2HD1      ILE   6   2.066   1.011  -6.152
   62   3HD1  ILE   6          3HD1      ILE   6   2.404   2.548  -6.946
   63    H    CYS   7           H        CYS   7  -0.126   3.313  -1.942
   64    HA   CYS   7           HA       CYS   7  -0.212   1.154  -0.238
   65   1HB   CYS   7          2HB       CYS   7  -0.502   4.098   0.347
   66   2HB   CYS   7          1HB       CYS   7  -0.304   2.882   1.595
   67    H    ASN   8           H        ASN   8  -2.785   3.246  -1.243
   68    HA   ASN   8           HA       ASN   8  -4.649   2.826   0.803
   69   1HB   ASN   8          2HB       ASN   8  -6.307   3.641  -0.680
   70   2HB   ASN   8          1HB       ASN   8  -4.828   4.470  -1.116
   71   1HD2  ASN   8          1HD2      ASN   8  -7.482   3.296  -2.399
   72   2HD2  ASN   8          2HD2      ASN   8  -6.904   2.760  -3.936
   73    H    LEU   9           H        LEU   9  -4.354   1.101  -2.274
   74    HA   LEU   9           HA       LEU   9  -6.240  -0.904  -1.522
   75   1HB   LEU   9          2HB       LEU   9  -5.559  -2.068  -3.571
   76   2HB   LEU   9          1HB       LEU   9  -5.948  -0.387  -3.859
   77    HG   LEU   9           HG       LEU   9  -3.302  -0.136  -3.594
   78   1HD1  LEU   9          1HD1      LEU   9  -2.143  -2.000  -4.628
   79   2HD1  LEU   9          2HD1      LEU   9  -3.649  -2.911  -4.719
   80   3HD1  LEU   9          3HD1      LEU   9  -2.948  -2.523  -3.148
   81   1HD2  LEU   9          1HD2      LEU   9  -3.897  -1.130  -6.251
   82   2HD2  LEU   9          2HD2      LEU   9  -3.472   0.497  -5.720
   83   3HD2  LEU   9          3HD2      LEU   9  -5.149  -0.044  -5.647
   84    H    ALA  10           H        ALA  10  -2.808  -0.519  -1.270
   85    HA   ALA  10           HA       ALA  10  -2.041  -3.165  -0.777
   86   1HB   ALA  10          1HB       ALA  10  -0.901  -0.541   0.139
   87   2HB   ALA  10          2HB       ALA  10  -0.311  -1.617  -1.128
   88   3HB   ALA  10          3HB       ALA  10  -0.165  -2.085   0.568
   89    H    CYS  11           H        CYS  11  -3.138  -0.645   1.504
   90    HA   CYS  11           HA       CYS  11  -2.939  -2.334   3.799
   91   1HB   CYS  11          2HB       CYS  11  -4.759   0.062   3.475
   92   2HB   CYS  11          1HB       CYS  11  -4.197  -0.636   4.978
   93    H    ARG  12           H        ARG  12  -5.485  -1.522   1.526
   94    HA   ARG  12           HA       ARG  12  -7.679  -2.625   2.835
   95   1HB   ARG  12          2HB       ARG  12  -8.024  -1.197   0.956
   96   2HB   ARG  12          1HB       ARG  12  -7.104  -2.259  -0.100
   97   1HG   ARG  12          2HG       ARG  12  -9.468  -2.469  -0.549
   98   2HG   ARG  12          1HG       ARG  12  -8.841  -3.974   0.122
   99   1HD   ARG  12          2HD       ARG  12  -9.691  -3.283   2.345
  100   2HD   ARG  12          1HD       ARG  12 -10.400  -1.853   1.597
  101    HE   ARG  12           HE       ARG  12 -12.122  -3.145   0.857
  102   1HH1  ARG  12          1HH1      ARG  12  -9.474  -5.279   1.743
  103   2HH1  ARG  12          2HH1      ARG  12 -10.374  -6.725   1.422
  104   1HH2  ARG  12          1HH2      ARG  12 -13.303  -5.061   0.444
  105   2HH2  ARG  12          2HH2      ARG  12 -12.552  -6.603   0.686
  106    H    ALA  13           H        ALA  13  -5.469  -4.178   0.520
  107    HA   ALA  13           HA       ALA  13  -6.843  -6.716   1.000
  108   1HB   ALA  13          1HB       ALA  13  -6.554  -6.755  -1.226
  109   2HB   ALA  13          2HB       ALA  13  -4.936  -7.328  -0.820
  110   3HB   ALA  13          3HB       ALA  13  -5.204  -5.619  -1.172
  111    H    GLY  14           H        GLY  14  -4.620  -5.129   2.606
  112   1HA   GLY  14          2HA       GLY  14  -3.014  -5.719   4.139
  113   2HA   GLY  14          1HA       GLY  14  -3.600  -7.356   3.972
  114    H    ILE  15           H        ILE  15  -2.433  -5.641   1.247
  115    HA   ILE  15           HA       ILE  15  -0.274  -7.562   0.945
  116    HB   ILE  15           HB       ILE  15  -0.886  -5.324  -0.970
  117   1HG1  ILE  15          2HG1      ILE  15  -2.985  -6.572  -0.520
  118   2HG1  ILE  15          1HG1      ILE  15  -2.420  -6.780  -2.174
  119   1HG2  ILE  15          1HG2      ILE  15   0.819  -7.680  -0.978
  120   2HG2  ILE  15          2HG2      ILE  15   0.886  -6.229  -1.977
  121   3HG2  ILE  15          3HG2      ILE  15  -0.194  -7.552  -2.416
  122   1HD1  ILE  15          1HD1      ILE  15  -1.311  -8.860  -0.594
  123   2HD1  ILE  15          2HD1      ILE  15  -2.474  -8.972  -1.916
  124   3HD1  ILE  15          3HD1      ILE  15  -3.040  -8.762  -0.258
  125    H    GLY  16           H        GLY  16  -0.578  -5.087   2.758
  126   1HA   GLY  16          2HA       GLY  16   1.383  -3.196   2.145
  127   2HA   GLY  16          1HA       GLY  16   0.881  -3.623   3.774
  128    H    HIS  17           H        HIS  17   1.704  -6.300   3.800
  129    HA   HIS  17           HA       HIS  17   4.452  -5.928   4.380
  130   1HB   HIS  17          2HB       HIS  17   4.492  -8.336   4.949
  131   2HB   HIS  17          1HB       HIS  17   3.198  -7.461   5.747
  132    HD1  HIS  17           1HD      HIS  17   2.660 -10.262   5.861
  133    HD2  HIS  17           2HD      HIS  17   1.775  -8.150   2.391
  134    HE1  HIS  17           1HE      HIS  17   0.949 -11.646   4.647
  135    H    LYS  18           H        LYS  18   2.844  -6.775   1.488
  136    HA   LYS  18           HA       LYS  18   5.197  -8.111   0.394
  137   1HB   LYS  18          2HB       LYS  18   2.488  -7.523  -0.799
  138   2HB   LYS  18          1HB       LYS  18   3.797  -8.293  -1.683
  139   1HG   LYS  18          2HG       LYS  18   3.787 -10.137  -0.061
  140   2HG   LYS  18          1HG       LYS  18   2.437  -9.370   0.778
  141   1HD   LYS  18          2HD       LYS  18   1.075  -9.544  -1.246
  142   2HD   LYS  18          1HD       LYS  18   2.425 -10.297  -2.096
  143   1HE   LYS  18          2HE       LYS  18   2.369 -12.170  -0.525
  144   2HE   LYS  18          1HE       LYS  18   1.027 -11.414   0.333
  145   1HZ   LYS  18          1HZ       LYS  18   0.308 -11.546  -2.349
  146   2HZ   LYS  18          2HZ       LYS  18  -0.343 -12.431  -1.062
  147   3HZ   LYS  18          3HZ       LYS  18   0.950 -13.061  -1.952
  148    H    TYR  19           H        TYR  19   3.519  -5.044   0.220
  149    HA   TYR  19           HA       TYR  19   5.159  -4.126  -1.997
  150   1HB   TYR  19          2HB       TYR  19   2.917  -2.900  -0.409
  151   2HB   TYR  19          1HB       TYR  19   3.874  -1.941  -1.530
  152    HD1  TYR  19           1HD      TYR  19   1.591  -1.528  -2.577
  153    HD2  TYR  19           2HD      TYR  19   3.466  -5.346  -2.577
  154    HE1  TYR  19           1HE      TYR  19   0.146  -2.234  -4.435
  155    HE2  TYR  19           2HE      TYR  19   2.024  -6.061  -4.435
  156    HH   TYR  19           HH       TYR  19   0.685  -4.562  -6.407
  157    HA   PRO  20           HA       PRO  20   8.368  -2.795   0.861
  158   1HB   PRO  20          2HB       PRO  20   9.398  -1.566  -1.634
  159   2HB   PRO  20          1HB       PRO  20  10.204  -2.653  -0.498
  160   1HG   PRO  20          2HG       PRO  20   9.396  -3.524  -2.886
  161   2HG   PRO  20          1HG       PRO  20   9.269  -4.549  -1.445
  162   1HD   PRO  20          2HD       PRO  20   7.138  -3.001  -2.865
  163   2HD   PRO  20          1HD       PRO  20   7.060  -4.619  -2.136
  164    H    PHE  21           H        PHE  21   7.127  -0.675  -1.701
  165    HA   PHE  21           HA       PHE  21   7.715   1.713  -0.221
  166   1HB   PHE  21          2HB       PHE  21   6.378   2.781  -2.141
  167   2HB   PHE  21          1HB       PHE  21   7.899   1.992  -2.534
  168    HD1  PHE  21           1HD      PHE  21   7.860   0.894  -4.529
  169    HD2  PHE  21           2HD      PHE  21   4.340   0.881  -2.136
  170    HE1  PHE  21           1HE      PHE  21   6.719  -0.481  -6.218
  171    HE2  PHE  21           2HE      PHE  21   3.195  -0.496  -3.821
  172    HZ   PHE  21           HZ       PHE  21   4.385  -1.179  -5.866
  173    H    CYS  22           H        CYS  22   5.376  -0.531   0.227
  174    HA   CYS  22           HA       CYS  22   3.676   1.400   1.593
  175   1HB   CYS  22          2HB       CYS  22   2.670  -0.489  -0.542
  176   2HB   CYS  22          1HB       CYS  22   1.616   0.193   0.689
  177    H    HIS  23           H        HIS  23   5.277  -0.020   3.012
  178    HA   HIS  23           HA       HIS  23   4.394  -2.658   3.630
  179   1HB   HIS  23          2HB       HIS  23   6.404  -0.803   4.835
  180   2HB   HIS  23          1HB       HIS  23   5.886  -2.224   5.738
  181    HD1  HIS  23           1HD      HIS  23   5.723  -4.270   3.453
  182    HD2  HIS  23           2HD      HIS  23   8.860  -1.588   3.953
  183    HE1  HIS  23           1HE      HIS  23   7.703  -5.336   2.331
  184    H    CYS  24           H        CYS  24   2.193  -1.485   3.700
  185    HA   CYS  24           HA       CYS  24   1.391  -0.394   6.230
  186   1HB   CYS  24          2HB       CYS  24   0.420   0.120   3.937
  187   2HB   CYS  24          1HB       CYS  24  -0.359  -1.453   4.017
  188    H    ARG  25           H        ARG  25  -0.753  -1.441   7.104
  189    HA   ARG  25           HA       ARG  25  -0.022  -3.907   8.288
  190   1HB   ARG  25          2HB       ARG  25  -2.384  -3.875   9.176
  191   2HB   ARG  25          1HB       ARG  25  -1.421  -2.453   9.549
  192   1HG   ARG  25          2HG       ARG  25  -2.552  -1.152   7.922
  193   2HG   ARG  25          1HG       ARG  25  -3.336  -2.575   7.237
  194   1HD   ARG  25          2HD       ARG  25  -4.560  -2.890   9.348
  195   2HD   ARG  25          1HD       ARG  25  -3.798  -1.438   9.994
  196    HE   ARG  25           HE       ARG  25  -5.408  -0.244   8.936
  197   1HH1  ARG  25          1HH1      ARG  25  -4.992  -3.237   7.157
  198   2HH1  ARG  25          2HH1      ARG  25  -6.204  -2.861   5.979
  199   1HH2  ARG  25          1HH2      ARG  25  -7.023   0.253   7.391
  200   2HH2  ARG  25          2HH2      ARG  25  -7.373  -0.875   6.124
  201   1HN   NH2  26          1H        ARG  25   0.081  -5.766   6.998
  202   2HN   NH2  26          2H        ARG  25  -1.462  -6.477   6.686
  Start of MODEL   20
    1   1H    PHE   1          1HT       PHE   1   6.638  13.934   4.008
    2   2H    PHE   1          2HT       PHE   1   7.698  12.617   3.976
    3   3H    PHE   1          3HT       PHE   1   6.027  12.357   4.052
    4    HA   PHE   1           HA       PHE   1   6.714  13.966   1.823
    5   1HB   PHE   1          2HB       PHE   1   7.784  12.008   0.577
    6   2HB   PHE   1          1HB       PHE   1   8.801  12.850   1.735
    7    HD1  PHE   1           1HD      PHE   1   6.494   9.904   1.602
    8    HD2  PHE   1           2HD      PHE   1  10.082  11.593   3.148
    9    HE1  PHE   1           1HE      PHE   1   7.022   7.768   2.701
   10    HE2  PHE   1           2HE      PHE   1  10.616   9.460   4.249
   11    HZ   PHE   1           HZ       PHE   1   9.085   7.544   4.027
   12    HA   PRO   2           HA       PRO   2   2.815  12.338   0.598
   13   1HB   PRO   2          2HB       PRO   2   3.176  12.078  -2.123
   14   2HB   PRO   2          1HB       PRO   2   2.798  13.595  -1.302
   15   1HG   PRO   2          2HG       PRO   2   5.442  12.543  -2.222
   16   2HG   PRO   2          1HG       PRO   2   4.796  14.193  -2.319
   17   1HD   PRO   2          2HD       PRO   2   6.581  13.506  -0.445
   18   2HD   PRO   2          1HD       PRO   2   5.262  14.639  -0.089
   19    H    ARG   3           H        ARG   3   1.740  10.446  -0.046
   20    HA   ARG   3           HA       ARG   3   3.465   8.122  -0.562
   21   1HB   ARG   3          2HB       ARG   3   2.062   8.565   1.760
   22   2HB   ARG   3          1HB       ARG   3   0.930   7.593   0.832
   23   1HG   ARG   3          2HG       ARG   3   2.145   6.054   2.096
   24   2HG   ARG   3          1HG       ARG   3   2.862   5.968   0.486
   25   1HD   ARG   3          2HD       ARG   3   3.962   7.623   2.755
   26   2HD   ARG   3          1HD       ARG   3   4.524   6.004   2.343
   27    HE   ARG   3           HE       ARG   3   5.104   8.467   0.959
   28   1HH1  ARG   3          1HH1      ARG   3   5.027   4.973   0.717
   29   2HH1  ARG   3          2HH1      ARG   3   6.116   4.916  -0.624
   30   1HH2  ARG   3          1HH2      ARG   3   6.515   8.401  -0.823
   31   2HH2  ARG   3          2HH2      ARG   3   6.974   6.875  -1.504
   32    HA   PRO   4           HA       PRO   4   0.937   7.664  -4.181
   33   1HB   PRO   4          2HB       PRO   4   1.699   4.818  -4.055
   34   2HB   PRO   4          1HB       PRO   4   2.000   6.006  -5.326
   35   1HG   PRO   4          2HG       PRO   4   3.966   5.111  -3.729
   36   2HG   PRO   4          1HG       PRO   4   3.930   6.778  -4.333
   37   1HD   PRO   4          2HD       PRO   4   3.209   5.726  -1.629
   38   2HD   PRO   4          1HD       PRO   4   4.041   7.228  -2.072
   39    H    ARG   5           H        ARG   5  -1.092   6.938  -4.694
   40    HA   ARG   5           HA       ARG   5  -2.806   6.121  -2.628
   41   1HB   ARG   5          2HB       ARG   5  -4.538   5.879  -4.341
   42   2HB   ARG   5          1HB       ARG   5  -3.644   7.377  -4.537
   43   1HG   ARG   5          2HG       ARG   5  -2.786   5.003  -6.108
   44   2HG   ARG   5          1HG       ARG   5  -4.253   5.855  -6.590
   45   1HD   ARG   5          2HD       ARG   5  -1.501   7.054  -6.279
   46   2HD   ARG   5          1HD       ARG   5  -2.330   6.719  -7.799
   47    HE   ARG   5           HE       ARG   5  -3.919   8.407  -6.191
   48   1HH1  ARG   5          1HH1      ARG   5  -1.028   8.458  -8.165
   49   2HH1  ARG   5          2HH1      ARG   5  -1.141  10.149  -8.519
   50   1HH2  ARG   5          1HH2      ARG   5  -4.077  10.644  -6.657
   51   2HH2  ARG   5          2HH2      ARG   5  -2.881  11.396  -7.659
   52    H    ILE   6           H        ILE   6  -0.626   4.287  -4.369
   53    HA   ILE   6           HA       ILE   6  -1.999   1.844  -4.679
   54    HB   ILE   6           HB       ILE   6   0.948   2.219  -4.138
   55   1HG1  ILE   6          2HG1      ILE   6  -0.495   2.184  -6.800
   56   2HG1  ILE   6          1HG1      ILE   6   0.153   3.625  -6.025
   57   1HG2  ILE   6          1HG2      ILE   6  -0.323   0.042  -5.768
   58   2HG2  ILE   6          2HG2      ILE   6  -0.117  -0.105  -4.022
   59   3HG2  ILE   6          3HG2      ILE   6   1.293   0.094  -5.064
   60   1HD1  ILE   6          1HD1      ILE   6   1.990   3.252  -7.213
   61   2HD1  ILE   6          2HD1      ILE   6   1.485   1.614  -7.630
   62   3HD1  ILE   6          3HD1      ILE   6   2.314   1.919  -6.103
   63    H    CYS   7           H        CYS   7  -0.289   3.340  -2.030
   64    HA   CYS   7           HA       CYS   7  -0.120   1.158  -0.278
   65   1HB   CYS   7          2HB       CYS   7  -0.415   4.115   0.276
   66   2HB   CYS   7          1HB       CYS   7  -0.046   2.918   1.504
   67    H    ASN   8           H        ASN   8  -2.723   3.256  -1.158
   68    HA   ASN   8           HA       ASN   8  -4.463   2.795   1.014
   69   1HB   ASN   8          2HB       ASN   8  -5.113   3.460  -1.865
   70   2HB   ASN   8          1HB       ASN   8  -6.278   3.492  -0.549
   71   1HD2  ASN   8          1HD2      ASN   8  -3.682   4.484   1.005
   72   2HD2  ASN   8          2HD2      ASN   8  -3.750   6.186   0.717
   73    H    LEU   9           H        LEU   9  -4.284   1.223  -2.178
   74    HA   LEU   9           HA       LEU   9  -6.258  -0.718  -1.504
   75   1HB   LEU   9          2HB       LEU   9  -5.614  -1.822  -3.609
   76   2HB   LEU   9          1HB       LEU   9  -5.973  -0.122  -3.813
   77    HG   LEU   9           HG       LEU   9  -3.318   0.064  -3.557
   78   1HD1  LEU   9          1HD1      LEU   9  -3.583  -2.541  -5.019
   79   2HD1  LEU   9          2HD1      LEU   9  -3.242  -2.478  -3.291
   80   3HD1  LEU   9          3HD1      LEU   9  -2.124  -1.740  -4.438
   81   1HD2  LEU   9          1HD2      LEU   9  -3.339  -0.320  -6.156
   82   2HD2  LEU   9          2HD2      LEU   9  -4.192   1.044  -5.431
   83   3HD2  LEU   9          3HD2      LEU   9  -5.083  -0.402  -5.907
   84    H    ALA  10           H        ALA  10  -2.813  -0.511  -1.247
   85    HA   ALA  10           HA       ALA  10  -2.173  -3.211  -0.888
   86   1HB   ALA  10          1HB       ALA  10  -0.894  -0.640  -0.093
   87   2HB   ALA  10          2HB       ALA  10  -0.296  -1.918  -1.152
   88   3HB   ALA  10          3HB       ALA  10  -0.283  -2.144   0.598
   89    H    CYS  11           H        CYS  11  -3.053  -0.717   1.496
   90    HA   CYS  11           HA       CYS  11  -2.882  -2.402   3.762
   91   1HB   CYS  11          2HB       CYS  11  -4.654   0.026   3.382
   92   2HB   CYS  11          1HB       CYS  11  -4.230  -0.707   4.919
   93    H    ARG  12           H        ARG  12  -5.513  -1.652   1.536
   94    HA   ARG  12           HA       ARG  12  -7.609  -2.845   2.958
   95   1HB   ARG  12          2HB       ARG  12  -7.255  -2.435  -0.010
   96   2HB   ARG  12          1HB       ARG  12  -8.754  -2.976   0.732
   97   1HG   ARG  12          2HG       ARG  12  -7.376  -0.353   1.266
   98   2HG   ARG  12          1HG       ARG  12  -8.796  -0.590   0.245
   99   1HD   ARG  12          2HD       ARG  12 -10.058  -1.386   2.175
  100   2HD   ARG  12          1HD       ARG  12  -8.636  -1.187   3.198
  101    HE   ARG  12           HE       ARG  12  -9.184   1.262   1.960
  102   1HH1  ARG  12          1HH1      ARG  12 -10.594  -0.884   4.333
  103   2HH1  ARG  12          2HH1      ARG  12 -11.387   0.384   5.205
  104   1HH2  ARG  12          1HH2      ARG  12 -10.225   2.952   3.109
  105   2HH2  ARG  12          2HH2      ARG  12 -11.176   2.575   4.507
  106    H    ALA  13           H        ALA  13  -5.555  -4.201   0.396
  107    HA   ALA  13           HA       ALA  13  -6.772  -6.807   0.726
  108   1HB   ALA  13          1HB       ALA  13  -4.323  -6.499  -0.908
  109   2HB   ALA  13          2HB       ALA  13  -5.763  -5.629  -1.438
  110   3HB   ALA  13          3HB       ALA  13  -5.811  -7.380  -1.250
  111    H    GLY  14           H        GLY  14  -4.675  -5.187   2.519
  112   1HA   GLY  14          2HA       GLY  14  -3.173  -5.765   4.155
  113   2HA   GLY  14          1HA       GLY  14  -3.734  -7.407   3.956
  114    H    ILE  15           H        ILE  15  -2.520  -5.864   1.194
  115    HA   ILE  15           HA       ILE  15  -0.236  -7.665   1.197
  116    HB   ILE  15           HB       ILE  15   0.117  -6.842  -1.150
  117   1HG1  ILE  15          2HG1      ILE  15  -2.540  -5.477  -0.658
  118   2HG1  ILE  15          1HG1      ILE  15  -1.000  -4.667  -0.921
  119   1HG2  ILE  15          1HG2      ILE  15  -2.053  -7.950  -1.996
  120   2HG2  ILE  15          2HG2      ILE  15  -2.400  -8.211  -0.286
  121   3HG2  ILE  15          3HG2      ILE  15  -0.944  -8.900  -1.007
  122   1HD1  ILE  15          1HD1      ILE  15  -0.950  -5.236  -3.171
  123   2HD1  ILE  15          2HD1      ILE  15  -2.643  -4.841  -2.874
  124   3HD1  ILE  15          3HD1      ILE  15  -2.136  -6.526  -2.970
  125    H    GLY  16           H        GLY  16  -0.572  -5.206   2.847
  126   1HA   GLY  16          2HA       GLY  16   1.203  -3.196   1.981
  127   2HA   GLY  16          1HA       GLY  16   0.773  -3.526   3.655
  128    H    HIS  17           H        HIS  17   1.760  -6.146   3.846
  129    HA   HIS  17           HA       HIS  17   4.512  -5.592   4.319
  130   1HB   HIS  17          2HB       HIS  17   3.147  -7.134   5.729
  131   2HB   HIS  17          1HB       HIS  17   3.114  -8.275   4.389
  132    HD1  HIS  17           1HD      HIS  17   5.885  -6.412   6.248
  133    HD2  HIS  17           2HD      HIS  17   4.974 -10.189   4.769
  134    HE1  HIS  17           1HE      HIS  17   7.851  -7.860   6.844
  135    H    LYS  18           H        LYS  18   2.783  -6.712   1.626
  136    HA   LYS  18           HA       LYS  18   4.990  -8.143   0.430
  137   1HB   LYS  18          2HB       LYS  18   2.739  -8.919  -0.033
  138   2HB   LYS  18          1HB       LYS  18   2.285  -7.339  -0.654
  139   1HG   LYS  18          2HG       LYS  18   3.860  -7.617  -2.508
  140   2HG   LYS  18          1HG       LYS  18   4.305  -9.206  -1.884
  141   1HD   LYS  18          2HD       LYS  18   1.503  -8.432  -2.689
  142   2HD   LYS  18          1HD       LYS  18   2.646  -9.248  -3.757
  143   1HE   LYS  18          2HE       LYS  18   1.695 -10.304  -1.096
  144   2HE   LYS  18          1HE       LYS  18   1.069 -10.804  -2.666
  145   1HZ   LYS  18          1HZ       LYS  18   3.091 -11.804  -3.228
  146   2HZ   LYS  18          2HZ       LYS  18   2.839 -12.258  -1.618
  147   3HZ   LYS  18          3HZ       LYS  18   3.940 -11.028  -1.988
  148    H    TYR  19           H        TYR  19   3.418  -5.008   0.149
  149    HA   TYR  19           HA       TYR  19   5.204  -4.213  -2.017
  150   1HB   TYR  19          2HB       TYR  19   2.884  -2.849  -0.652
  151   2HB   TYR  19          1HB       TYR  19   3.902  -2.025  -1.826
  152    HD1  TYR  19           1HD      TYR  19   2.769  -5.565  -1.985
  153    HD2  TYR  19           2HD      TYR  19   2.357  -1.635  -3.554
  154    HE1  TYR  19           1HE      TYR  19   1.383  -6.446  -3.810
  155    HE2  TYR  19           2HE      TYR  19   0.968  -2.506  -5.385
  156    HH   TYR  19           HH       TYR  19   0.462  -4.499  -6.524
  157    HA   PRO  20           HA       PRO  20   8.186  -2.856   1.099
  158   1HB   PRO  20          2HB       PRO  20   9.436  -1.750  -1.362
  159   2HB   PRO  20          1HB       PRO  20  10.145  -2.750  -0.089
  160   1HG   PRO  20          2HG       PRO  20   9.553  -3.796  -2.464
  161   2HG   PRO  20          1HG       PRO  20   9.283  -4.715  -0.972
  162   1HD   PRO  20          2HD       PRO  20   7.310  -3.291  -2.708
  163   2HD   PRO  20          1HD       PRO  20   7.146  -4.834  -1.846
  164    H    PHE  21           H        PHE  21   7.237  -0.766  -1.624
  165    HA   PHE  21           HA       PHE  21   7.826   1.640  -0.212
  166   1HB   PHE  21          2HB       PHE  21   6.582   2.717  -2.161
  167   2HB   PHE  21          1HB       PHE  21   8.031   1.800  -2.546
  168    HD1  PHE  21           1HD      PHE  21   4.327   1.388  -2.338
  169    HD2  PHE  21           2HD      PHE  21   7.958   0.259  -4.247
  170    HE1  PHE  21           1HE      PHE  21   3.053   0.058  -3.967
  171    HE2  PHE  21           2HE      PHE  21   6.690  -1.074  -5.880
  172    HZ   PHE  21           HZ       PHE  21   4.234  -1.173  -5.742
  173    H    CYS  22           H        CYS  22   5.292  -0.506   0.042
  174    HA   CYS  22           HA       CYS  22   3.684   1.498   1.455
  175   1HB   CYS  22          2HB       CYS  22   2.649  -0.486  -0.581
  176   2HB   CYS  22          1HB       CYS  22   1.610   0.306   0.596
  177    H    HIS  23           H        HIS  23   5.360   0.074   2.790
  178    HA   HIS  23           HA       HIS  23   4.651  -2.534   3.551
  179   1HB   HIS  23          2HB       HIS  23   6.209  -2.156   5.481
  180   2HB   HIS  23          1HB       HIS  23   6.902  -1.843   3.896
  181    HD1  HIS  23           1HD      HIS  23   5.240   0.211   6.649
  182    HD2  HIS  23           2HD      HIS  23   8.296   0.464   3.841
  183    HE1  HIS  23           1HE      HIS  23   6.332   2.446   7.037
  184    H    CYS  24           H        CYS  24   2.344  -1.577   3.640
  185    HA   CYS  24           HA       CYS  24   1.476  -0.595   6.218
  186   1HB   CYS  24          2HB       CYS  24   0.462  -0.070   3.926
  187   2HB   CYS  24          1HB       CYS  24  -0.225  -1.688   3.984
  188    H    ARG  25           H        ARG  25  -0.741  -1.917   6.780
  189    HA   ARG  25           HA       ARG  25   0.178  -4.301   8.025
  190   1HB   ARG  25          2HB       ARG  25  -2.150  -4.569   8.779
  191   2HB   ARG  25          1HB       ARG  25  -1.560  -2.937   9.057
  192   1HG   ARG  25          2HG       ARG  25  -2.769  -2.146   7.100
  193   2HG   ARG  25          1HG       ARG  25  -3.330  -3.787   6.771
  194   1HD   ARG  25          2HD       ARG  25  -5.061  -2.498   7.890
  195   2HD   ARG  25          1HD       ARG  25  -4.503  -3.812   8.922
  196    HE   ARG  25           HE       ARG  25  -3.045  -1.482   9.519
  197   1HH1  ARG  25          1HH1      ARG  25  -6.265  -2.802   9.858
  198   2HH1  ARG  25          2HH1      ARG  25  -6.640  -1.883  11.277
  199   1HH2  ARG  25          1HH2      ARG  25  -3.529  -0.259  11.403
  200   2HH2  ARG  25          2HH2      ARG  25  -5.076  -0.431  12.160
  201   1HN   NH2  26          1H        ARG  25  -0.530  -6.452   7.659
  202   2HN   NH2  26          2H        ARG  25  -1.221  -6.967   6.160