*HEADER    PLANT PROTEIN                           30-MAR-06   2GJ0              
*TITLE     CYCLOVIOLACIN O14                                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYCLOVIOLACIN O14;                                         
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: VIOLA ODORATA;                                  
*SOURCE   3 ORGANISM_COMMON: SWEET VIOLET                                        
*KEYWDS    CYCLOTIDE                                                             
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    D.C.IRELAND, M.L.COLGRAVE, D.J.CRAIK                                  
*REVDAT   1   11-APR-06 2GJ0    0                                                


assign (resid 16 and name HN)(resid 16 and name HB1) 0.000 0.000 3.800 
assign (resid 16 and name HN)(resid 16 and name HB2) 0.000 0.000 3.800 
assign (resid 17 and name HN)(resid 17 and name HA) 0.000 0.000 2.800 
assign (resid 17 and name HA)(resid 17 and name HG2#) 0.000 0.000 3.700 
assign (resid 19 and name HN)(resid 19 and name HA1) 0.000 0.000 3.000
assign (resid 19 and name HN)(resid 19 and name HA2) 0.000 0.000 2.800 
assign (resid 20 and name HN)(resid 20 and name HB1) 0.000 0.000 3.700 
assign (resid 20 and name HN)(resid 20 and name HB2) 0.000 0.000 3.100 
assign (resid 21 and name HN)(resid 21 and name HA) 0.000 0.000 3.500 
assign (resid 22 and name HN)(resid 22 and name HB1) 0.000 0.000 3.500 
assign (resid 22 and name HN)(resid 22 and name HB2) 0.000 0.000 2.900 
assign (resid 6 and name HA)(resid 8 and name HN) 0.000 0.000 5.000 
assign (resid 6 and name HB#)(resid 8 and name HN) 0.000 0.000 3.500 
assign (resid 7 and name HA#)(resid 8 and name HA) 0.000 0.000 5.000 
assign (resid 27 and name HN)(resid 27 and name HB#)   0.000 0.000 3.9 
assign (resid 27 and name HN)(resid 27 and name HG) 0.000 0.000 3.000 
assign (resid 27 and name HN)(resid 27 and name HD#) 0.000 0.000 5.000 
assign (resid 27 and name HA)(resid 27 and name HG) 0.000 0.000 3.600 
assign (resid 27 and name HA)(resid 27 and name HD#) 0.000 0.000 5.600  
assign (resid 28 and name HN)(resid 28 and name HB1) 0.000 0.000 3.600 
assign (resid 28 and name HN)(resid 28 and name HB2) 0.000 0.000 3.200 
assign (resid 16 and name HN)(resid 17 and name HA) 0.000 0.000 5.000 
assign (resid 17 and name HN)(resid 28 and name HB#) 0.000 0.000 7.000 
assign (resid 3 and name HN)(resid 29 and name HA) 0.000 0.000 5.000 
assign (resid 23 and name HN)(resid 28 and name HB#) 0.000 0.000 6.000 
assign (resid 2 and name HN)(resid 23 and name HB2) 0.000 0.000 7.000
assign (resid 22 and name HN)(resid 28 and name HB#) 0.000 0.000 5.000 
assign (resid 10 and name HN)(resid 28 and name HB#) 0.000 0.000 5.000 
assign (resid 21 and name HN)(resid 21 and name HA) 0.000 0.000 3.500  
assign (resid 22 and name HN)(resid 22 and name HB#) 0.000 0.000 2.900 
assign (resid 23 and name HN)(resid 23 and name HB#) 0.000 0.000 3.4 
assign (resid 23 and name HA)(resid 23 and name HB#) 0.000 0.000 3.1 
assign (resid 24 and name HN)(resid 24 and name HB#) 0.000 0.000 3.6 
assign (resid 24 and name HN)(resid 24 and name HG#) 0.000 0.000 3.70 
assign (resid 24 and name HA)(resid 24 and name HG#) 0.000 0.000 3.8 
assign (resid 25 and name HN)(resid 25 and name HA) 0.000 0.000 3.500 
assign (resid 25 and name HN)(resid 25 and name HB#) 0.000 0.000 3.500  
assign (resid 25 and name HA)(resid 25 and name HB#) 0.000 0.000 2.600
assign (resid 1 and name HN)    (resid 21 and name HN)   0.000    0.000    5.000     
assign (resid 22 and name  HA)    (resid  27 and name HD#)   0.000     0.000    7.000   
assign (resid 24 and name HA)     (resid 25 and name HB#)   0.000     0.000    7.000    
assign (resid 11 and name HD#)   (resid 12 and name HD2) 0.000     0.000     6.500     
assign (resid 14 and name HN)    (resid 14 and name HG#) 0.000    0.000      6.300      
assign (resid 14 and name HN)   (resid 14 and name HD1) 0.000    0.000       4.3000    
assign (resid 14 and name HN)    (resid 14 and name HD2)  0.000   0.000      4.300     
assign (resid 14 and name HN)    (resid 14 and name HD#) 0.000   0.000      4.000       
assign (resid 14 and name HA)   (resid 14 and name HD2)  0.000    0.000     4.100      
assign (resid 14 and name HA)   (resid 14 and name HD#)   0.000   0.000     3.800       
assign (resid 15 and name HN)   (resid 15 and name HB1)   0.000   0.000    3.800        
assign (resid 15 and name HN)   (resid 15 and name HB2)   0.000   0.000    3.800        
assign (resid 15 and name HN)   (resid 15 and name HB#)   0.000   0.000    3.300      
assign (resid 8 and name HN) (resid 8 and name HB1) 0.000 0.000 3.500 
assign (resid 8 and name HN) (resid 8 and name HB2) 0.000 0.000 4.000 
assign (resid 8 and name HN) (resid 8 and name HG1) 0.000 0.000 5.500 
assign (resid 8 and name HN) (resid 8 and name HG2) 0.000 0.000 5.500 
assign (resid 8 and name HN) (resid 8 and name HG#) 0.000 0.000 5.300 
assign (resid 4 and name HB1) (resid 5 and name HB#) 0.000 0.000 7.000 
assign (resid   1 and name   HN)   (resid   2 and name   HN)   2.485    0.685    0.685  
assign (resid   1 and name   HN)   (resid  29 and name  HB#)   3.185    1.385    1.385  
assign (resid   1 and name   HN)   (resid  30 and name   HN)   0.000    0.000    5.000  
assign (resid   1 and name   HN)   (resid  30 and name   HA)   2.905    1.105    1.105  
assign (resid   1 and name   HN)   (resid  30 and name  HG#)   4.090    2.290    2.290  
assign (resid   1 and name   HN)   (resid  30 and name  HE#)   0.000    0.000    7.000   
assign (resid   1 and name   HN)   (resid  31 and name   HN)   2.595    0.795    0.795  
assign (resid   1 and name   HN)   (resid  31 and name   HA)   2.285    0.485    0.485  
assign (resid   1 and name   HN)   (resid  31 and name  HB2)   3.605    1.805    1.805  
assign (resid   1 and name   HN)   (resid  31 and name  HB1)   3.605    1.805    1.805  
assign (resid   1 and name   HN)   (resid  31 and name  HB#)   3.490    1.690    1.690  
assign (resid   1 and name  HA1)   (resid   2 and name   HN)   2.720    0.920    0.920  
assign (resid   1 and name  HA2)   (resid   2 and name   HN)   2.720    0.920    0.920  
assign (resid   1 and name  HA#)   (resid   5 and name  HB#)   4.460    2.660    2.660  
assign (resid   1 and name  HA#)   (resid  29 and name  HB#)   4.245    2.445    2.445  
assign (resid   1 and name  HA#)   (resid  31 and name   HA)   4.090    2.290    2.290  
assign (resid   2 and name   HN)   (resid   3 and name   HN)   3.200    1.400    1.400  
assign (resid   2 and name   HN)   (resid  30 and name   HN)   0.000    0.000    3.500  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.225    0.425    0.425  
assign (resid   2 and name   HA)   (resid   3 and name HD1#)   3.700    1.900    1.900  
assign (resid   2 and name   HA)   (resid  29 and name  HB#)   3.405    1.605    1.605  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   3.035    1.235    1.235  
assign (resid   2 and name  HB#)   (resid  30 and name   HN)   3.670    1.870    1.870  
assign (resid   3 and name   HN)   (resid   4 and name  HD2)   2.610    0.810    0.810  
assign (resid   3 and name   HN)   (resid   4 and name  HD1)   2.610    0.810    0.810  
assign (resid   3 and name   HA)   (resid   5 and name   HN)   3.000    1.200    1.200  
assign (resid   3 and name   HA)   (resid  29 and name   HN)   3.400    1.600    1.600  
assign (resid   3 and name   HA)   (resid  29 and name  HB#)   3.050    1.250    1.250  
assign (resid   3 and name   HA)   (resid  30 and name   HN)   3.075    1.275    1.275  
assign (resid   3 and name HG1#)   (resid   4 and name  HD2)   3.420    1.620    1.620  
assign (resid   3 and name HG1#)   (resid   4 and name  HD1)   3.420    1.620    1.620  
assign (resid   3 and name HG1#)   (resid   4 and name  HD#)   3.155    1.355    1.355  
assign (resid   3 and name HG1#)   (resid  27 and name  HD#)   5.465    3.665    3.665  
assign (resid   3 and name HG1#)   (resid  28 and name   HN)   3.960    2.160    2.160  
assign (resid   3 and name HG1#)   (resid  29 and name   HN)   0.000    0.000    5.000   
assign (resid   3 and name HG1#)   (resid  29 and name   HA)   4.165    2.365    2.365  
assign (resid   3 and name HG2#)   (resid   4 and name  HD2)   3.300    1.500    1.500  
assign (resid   3 and name HG2#)   (resid   4 and name  HD1)   3.300    1.500    1.500  
assign (resid   3 and name HG2#)   (resid   4 and name  HD#)   3.040    1.240    1.240  
assign (resid   3 and name HD1#)   (resid   4 and name  HD2)   3.930    2.130    2.130  
assign (resid   3 and name HD1#)   (resid   4 and name  HD1)   3.930    2.130    2.130  
assign (resid   3 and name HD1#)   (resid   4 and name  HD#)   3.625    1.825    1.825  
assign (resid   3 and name HD1#)   (resid  29 and name   HN)   3.295    1.495    1.495  
assign (resid   3 and name HD1#)   (resid  29 and name   HA)   3.855    2.055    2.055  
assign (resid   4 and name   HA)   (resid   6 and name   HN)   0.000    0.000    5.000   
assign (resid   4 and name   HA)   (resid   7 and name   HN)   0.000    0.000    4.000  
assign (resid   4 and name  HB2)   (resid   5 and name   HN)   3.400    1.600    1.600  
assign (resid   4 and name  HB1)   (resid   5 and name   HN)   3.400    1.600    1.600  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   3.400    1.600    1.600  
assign (resid   4 and name  HD2)   (resid   5 and name   HN)   3.340    1.540    1.540  
assign (resid   4 and name  HD1)   (resid   5 and name   HN)   3.340    1.540    1.540  
assign (resid   4 and name  HD#)   (resid   5 and name   HN)   2.985    1.185    1.185  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   3.400    1.600    1.600  
assign (resid   5 and name   HN)   (resid   6 and name   HN)   2.485    0.685    0.685  
assign (resid   5 and name   HA)   (resid  30 and name  HG#)   4.090    2.290    2.290  
assign (resid   5 and name   HA)   (resid  30 and name  HB#)   4.090    2.290    2.290  
assign (resid   5 and name  HB#)   (resid  29 and name   HA)   4.165    2.365    2.365  
assign (resid   5 and name  HB#)   (resid  30 and name   HN)   3.715    1.915    1.915  
assign (resid   5 and name  HB#)   (resid  30 and name  HE#)   4.200    2.400    2.400  
assign (resid   6 and name  HB#)   (resid   7 and name   HN)   3.235    1.435    1.435  
assign (resid   6 and name  HB#)   (resid  29 and name   HA)   4.090    2.290    2.290  
assign (resid   7 and name   HN)   (resid   8 and name   HN)   2.625    0.825    0.825  
assign (resid   8 and name   HN)   (resid   9 and name   HN)   3.400    1.600    1.600  
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.400    0.600    0.600  
assign (resid   8 and name   HA)   (resid  27 and name  HD#)   4.780    2.980    2.980  
assign (resid   8 and name  HB2)   (resid   9 and name   HN)   0.000    0.000    5.000 
assign (resid   8 and name  HB1)   (resid   9 and name   HN)   0.000    0.000    5.000   
assign (resid   8 and name  HB#)   (resid   9 and name   HN)   0.000    0.000    5.000   
assign (resid   8 and name  HB#)   (resid  27 and name  HD#)   3.960    2.160    2.160  
assign (resid   8 and name  HG2)   (resid   9 and name   HN)   2.905    1.105    1.105  
assign (resid   8 and name  HG2)   (resid  16 and name   HN)   3.650    1.850    1.850  
assign (resid   8 and name  HG1)   (resid   9 and name   HN)   2.905    1.105    1.105  
assign (resid   8 and name  HG1)   (resid  16 and name   HN)   3.650    1.850    1.850  
assign (resid   9 and name   HN)   (resid  10 and name   HN)   3.400    1.600    1.600  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.395    0.595    0.595  
assign (resid   9 and name  HB#)   (resid  27 and name  HD#)   4.705    2.905    2.905  
assign (resid  10 and name   HN)   (resid  28 and name   HA)   4.400    2.600    2.600  
assign (resid  10 and name   HN)   (resid  28 and name   HN)   2.650    0.850    0.850  
assign (resid  10 and name   HN)   (resid  27 and name   HA)   2.625    0.825    0.825  
assign (resid  10 and name   HN)   (resid  27 and name   HG)   3.650    1.850    1.850  
assign (resid  10 and name   HN)   (resid  27 and name  HD#)   4.920    3.120    3.120  
assign (resid  10 and name   HA)   (resid  11 and name  HD#)   4.710    2.910    2.910  
assign (resid  10 and name   HA)   (resid  28 and name  HB#)   4.090    2.290    2.290  
assign (resid  10 and name  HB1)   (resid  11 and name  HD#)   4.710    2.910    2.910  
assign (resid  10 and name  HB1)   (resid  28 and name   HN)   3.650    1.850    1.850  
assign (resid  10 and name  HB1)   (resid  14 and name   HN)   4.400    2.600    2.600  
assign (resid  10 and name  HB2)   (resid  11 and name  HD#)   4.710    2.910    2.910  
assign (resid  10 and name  HB2)   (resid  28 and name   HN)   3.650    1.850    1.850  
assign (resid  10 and name  HB#)   (resid  11 and name  HD#)   4.600    2.800    2.800  
assign (resid  10 and name  HB#)   (resid  15 and name   HA)   3.375    1.575    1.575  
assign (resid  11 and name  HB2)   (resid  11 and name   HA)   2.955    1.155    1.155  
assign (resid  11 and name  HB1)   (resid  11 and name   HA)   2.955    1.155    1.155 
assign (resid  11 and name  HB#)   (resid  11 and name   HA)   2.845    1.045    1.045  
assign (resid  11 and name  HD#)   (resid  13 and name  HA1)   4.710    2.910    2.910  
assign (resid  11 and name  HD#)   (resid  13 and name  HA2)   4.710    2.910    2.910  
assign (resid  11 and name  HD#)   (resid  13 and name  HA#)   4.460    2.660    2.660  
assign (resid  11 and name  HD#)   (resid  12 and name  HD2)   4.150    2.350    2.350  
assign (resid  12 and name  HB#)   (resid  12 and name  HZ#)   4.495    2.695    2.695  
assign (resid  12 and name  HG2)   (resid  12 and name  HZ#)   4.055    2.255    2.255  
assign (resid  12 and name  HG1)   (resid  12 and name  HZ#)   4.055    2.255    2.255  
assign (resid  14 and name   HN)   (resid  14 and name  HG#)   4.090    2.290    2.290  
assign (resid  14 and name   HN)   (resid  14 and name  HD2)   3.030    1.230    1.230  
assign (resid  14 and name   HN)   (resid  14 and name  HD1)   3.030    1.230    1.230  
assign (resid  14 and name   HN)   (resid  14 and name  HD#)   2.885    1.085    1.085  
assign (resid  14 and name   HA)   (resid  14 and name  HD2)   2.935    1.135    1.135  
assign (resid  14 and name   HA)   (resid  14 and name  HD#)   2.775    0.975    0.975  
assign (resid  14 and name   HA)   (resid  15 and name   HN)   2.180    0.380    0.380  
assign (resid  14 and name  HG#)   (resid  15 and name   HN)   4.090    2.290    2.290  
assign (resid  14 and name  HG#)   (resid  16 and name  HE#)   5.155    3.355    3.355  
assign (resid  14 and name  HD2)   (resid  15 and name   HN)   3.075    1.275    1.275  
assign (resid  14 and name  HD2)   (resid  16 and name  HE#)   4.715    2.915    2.915  
assign (resid  14 and name  HD1)   (resid  15 and name   HN)   3.075    1.275    1.275  
assign (resid  14 and name  HD1)   (resid  16 and name  HE#)   4.715    2.915    2.915  
assign (resid  14 and name  HD#)   (resid  15 and name   HN)   2.820    1.020    1.020  
assign (resid  14 and name  HD#)   (resid  16 and name  HD#)   5.160    3.360    3.360  
assign (resid  15 and name   HN)   (resid  15 and name  HB2)   2.780    0.980    0.980  
assign (resid  15 and name   HN)   (resid  15 and name  HB1)   2.780    0.980    0.980  
assign (resid  15 and name   HN)   (resid  15 and name  HB#)   2.565    0.765    0.765  
assign (resid  15 and name   HN)   (resid  22 and name  HB#)   4.090    2.290    2.290  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.410    0.610    0.610  
assign (resid  15 and name   HA)   (resid  16 and name  HD#)   4.720    2.920    2.920  
assign (resid  15 and name  HB2)   (resid  16 and name   HN)   3.185    1.385    1.385  
assign (resid  15 and name  HB2)   (resid  17 and name   HN)   0.000    0.000    5.000    
assign (resid  15 and name  HB1)   (resid  16 and name   HN)   3.185    1.385    1.385  
assign (resid  15 and name  HB1)   (resid  17 and name   HN)   2.830    1.030    1.030  
assign (resid  15 and name  HB#)   (resid  16 and name   HN)   2.910    1.110    1.110  
assign (resid  15 and name  HB#)   (resid  16 and name  HD#)   5.160    3.360    3.360  
assign (resid  15 and name  HB#)   (resid  16 and name  HE#)   5.155    3.355    3.355  
assign (resid  15 and name  HB#)   (resid  17 and name   HN)   2.670    0.870    0.870  
assign (resid  15 and name  HB#)   (resid  20 and name  HB#)   4.480    2.680    2.680  
assign (resid  16 and name   HN)   (resid  17 and name   HN)   2.410    0.610    0.610  
assign (resid  16 and name   HA)   (resid  17 and name   HN)   2.675    0.875    0.875  
assign (resid  16 and name  HB2)   (resid  17 and name   HN)   2.675    0.875    0.875  
assign (resid  16 and name  HB2)   (resid  17 and name HG2#)   3.995    2.195    2.195  
assign (resid  16 and name  HB1)   (resid  17 and name   HN)   2.675    0.875    0.875  
assign (resid  16 and name  HB1)   (resid  17 and name HG2#)   3.995    2.195    2.195  
assign (resid  16 and name  HB#)   (resid  17 and name HG2#)   3.750    1.950    1.950  
assign (resid  16 and name  HD#)   (resid  17 and name HG2#)   5.235    3.435    3.435  
assign (resid  17 and name   HN)   (resid  18 and name  HD2)   3.635    1.835    1.835  
assign (resid  17 and name   HN)   (resid  18 and name  HD1)   3.635    1.835    1.835  
assign (resid  17 and name   HN)   (resid  18 and name  HD#)   3.545    1.745    1.745  
assign (resid  17 and name   HA)   (resid  18 and name  HG#)   3.755    1.955    1.955  
assign (resid  17 and name   HA)   (resid  18 and name  HD2)   2.595    0.795    0.795  
assign (resid  17 and name   HA)   (resid  18 and name  HD1)   2.595    0.795    0.795
assign (resid  17 and name   HA)   (resid  18 and name  HD#)   2.490    0.690    0.690 
assign (resid  17 and name HG2#)   (resid  18 and name  HD2)   3.140    1.340    1.340  
assign (resid  17 and name HG2#)   (resid  18 and name  HD1)   3.140    1.340    1.340  
assign (resid  17 and name HG2#)   (resid  18 and name  HD#)   2.975    1.175    1.175  
assign (resid  17 and name HG2#)   (resid  20 and name   HN)   3.900    2.100    2.100  
assign (resid  18 and name   HA)   (resid  19 and name   HN)   2.100    0.300    0.300  
assign (resid  18 and name   HA)   (resid  20 and name   HN)   0.000    0.000    3.500  
assign (resid  18 and name  HB2)   (resid  19 and name   HN)   2.795    0.995    0.995  
assign (resid  18 and name  HB1)   (resid  19 and name   HN)   2.795    0.995    0.995  
assign (resid  18 and name  HB#)   (resid  19 and name   HN)   2.625    0.825    0.825  
assign (resid  19 and name   HN)   (resid  20 and name   HN)   2.300    0.500    0.500  
assign (resid  19 and name   HN)   (resid  20 and name  HB#)   3.500    1.700    1.700  
assign (resid  19 and name  HA1)   (resid  20 and name   HN)   0.000    0.000    3.500   
assign (resid  19 and name  HA2)   (resid  20 and name   HN)   0.000    0.000    3.500    
assign (resid  20 and name   HN)   (resid  21 and name   HN)   3.400    1.600    1.600  
assign (resid  20 and name   HA)   (resid  21 and name   HN)   2.100    0.300    0.300  
assign (resid  20 and name   HA)   (resid  29 and name   HN)   3.400    1.600    1.600  
assign (resid  20 and name  HB2)   (resid  21 and name   HN)   0.000    0.000    3.800   
assign (resid  20 and name  HB2)   (resid  29 and name   HN)   3.510    1.710    1.710  
assign (resid  20 and name  HB2)   (resid  30 and name  HB#)   3.400    1.600    1.600  
assign (resid  20 and name  HB1)   (resid  21 and name   HN)   0.000    0.000    3.500   
assign (resid  20 and name  HB1)   (resid  29 and name   HN)   3.510    1.710    1.710  
assign (resid  20 and name  HB#)   (resid  21 and name   HN)   2.440    0.640    0.640  
assign (resid  20 and name  HB#)   (resid  28 and name   HN)   3.980    2.180    2.180  
assign (resid  20 and name  HB#)   (resid  29 and name   HN)   3.360    1.560    1.560  
assign (resid  20 and name  HB1)   (resid  31 and name   HA)   4.400    2.600    2.600  
assign (resid  21 and name   HN)   (resid  22 and name   HN)   3.400    1.600    1.600  
assign (resid  21 and name   HN)   (resid  28 and name   HA)   0.000    0.000    5.000  
assign (resid  21 and name   HN)   (resid  28 and name  HB#)   4.025    2.225    2.225  
assign (resid  21 and name   HN)   (resid  29 and name   HN)   3.400    1.600    1.600  
assign (resid  21 and name   HN)   (resid  29 and name   HA)   0.000    0.000    5.000  
assign (resid  21 and name   HN)   (resid  29 and name  HB#)   3.915    2.115    2.115  
assign (resid  21 and name   HN)   (resid  30 and name  HD#)   4.090    2.290    2.290  
assign (resid  21 and name   HA)   (resid  22 and name   HN)   2.210    0.410    0.410  
assign (resid  21 and name   HA)   (resid  23 and name   HN)   0.000    0.000    5.000     
assign (resid  21 and name   HA)   (resid  29 and name   HN)   3.400    1.600    1.600  
assign (resid  21 and name  HB#)   (resid  22 and name   HN)   2.880    1.080    1.080  
assign (resid  21 and name  HB#)   (resid  23 and name   HN)   3.400    1.600    1.600  
assign (resid  22 and name   HN)   (resid  23 and name   HN)   2.815    1.015    1.215  
assign (resid  22 and name   HA)   (resid  23 and name   HN)   2.270    0.470    0.470  
assign (resid  22 and name   HA)   (resid  24 and name   HN)   3.400    1.600    1.600  
assign (resid  22 and name  HB2)   (resid  23 and name   HN)   3.400    1.600    1.600  
assign (resid  22 and name  HB1)   (resid  23 and name   HN)   3.400    1.600    1.600  
assign (resid  23 and name   HN)   (resid  24 and name   HN)   2.240    0.440    0.440  
assign (resid  23 and name   HN)   (resid  29 and name   HN)   0.000    0.000    5.000  
assign (resid  23 and name   HN)   (resid  24 and name  HG2)   3.650    1.850    1.850  
assign (resid  23 and name   HN)   (resid  24 and name  HG1)   3.650    1.850    1.850  
assign (resid  23 and name   HN)   (resid  24 and name  HG#)   3.555    1.755    1.755  
assign (resid  23 and name   HN)   (resid  28 and name   HA)   2.705    0.905    0.905  
assign (resid  23 and name   HN)   (resid  29 and name  HB#)   3.635    1.835    1.835  
assign (resid  23 and name   HA)   (resid  24 and name   HN)   2.690    0.890    0.890  
assign (resid  23 and name  HB2)   (resid  24 and name   HN)   3.400    1.600    1.600  
assign (resid  23 and name  HB1)   (resid  24 and name   HN)   3.400    1.600    1.600  
assign (resid  23 and name  HB#)   (resid  24 and name   HN)   3.400    1.600    1.600  
assign (resid  24 and name   HN)   (resid  25 and name   HN)   0.000    0.000    5.000  
assign (resid  24 and name   HN)   (resid  25 and name  HB#)   3.500    1.700    1.700  
assign (resid  24 and name   HN)   (resid  28 and name   HA)   3.650    1.850    1.850  
assign (resid  24 and name   HN)   (resid  29 and name   HN)   0.000    0.000    5.000   
assign (resid  24 and name   HA)   (resid  25 and name   HN)   0.000    0.000    3.500   
assign (resid  24 and name  HB2)   (resid  25 and name   HN)   3.400    2.000    1.000   
assign (resid  24 and name  HB1)   (resid  25 and name   HN)   3.400    2.000    1.000   
assign (resid  24 and name  HG2)   (resid  25 and name   HN)   3.650    1.850    1.850  
assign (resid  24 and name  HG#)   (resid  25 and name   HN)   3.530    1.730    1.730  
assign (resid  25 and name   HN)   (resid  25 and name   HA)   2.650    0.850    0.850  
assign (resid  25 and name   HA)   (resid  27 and name   HN)   0.000    0.000    5.000  
assign (resid  25 and name  HB#)   (resid  27 and name   HN)   3.590    1.790    1.790  
assign (resid  25 and name  HD#)   (resid  27 and name  HB#)   5.160    3.360    3.360  
assign (resid  25 and name  HD#)   (resid  27 and name  HD#)   6.020    4.220    4.220  
assign (resid  25 and name  HE#)   (resid  27 and name   HA)   4.715    2.915    2.915  
assign (resid  25 and name  HE#)   (resid  27 and name  HD#)   6.015    4.215    4.215  
assign (resid  26 and name   HA)   (resid  27 and name   HN)   2.650    0.850    0.850  
assign (resid  26 and name   HA)   (resid  27 and name  HD#)   4.950    3.150    3.150  
assign (resid  26 and name  HG#)   (resid  27 and name   HN)   3.475    1.675    1.675  
assign (resid  26 and name  HD2)   (resid  27 and name   HN)   3.370    1.570    1.570    
assign (resid  26 and name  HD1)   (resid  27 and name   HN)   3.370    1.570    1.570    
assign (resid  26 and name  HD#)   (resid  27 and name   HN)   3.185    1.385    1.385  
assign (resid  26 and name  HD#)   (resid  27 and name   HG)   3.315    1.515    1.515  
assign (resid  26 and name  HD#)   (resid  27 and name  HD#)   5.215    3.415    3.415  
assign (resid  27 and name   HN)   (resid  28 and name   HN)   3.400    1.600    1.600  
assign (resid  27 and name   HA)   (resid  28 and name   HN)   2.650    0.850    0.850  
assign (resid  27 and name  HB#)   (resid  28 and name   HN)   3.050    1.250    1.250  
assign (resid  27 and name   HG)   (resid  28 and name   HN)   0.000   0.000     4.500    
assign (resid  27 and name HD1#)   (resid  28 and name   HN)   3.620    1.820    1.820  
assign (resid  27 and name HD2#)   (resid  28 and name   HN)   3.620    1.820    1.820  
assign (resid  27 and name  HD#)   (resid  28 and name   HN)   3.355    1.555    1.555  
assign (resid  28 and name   HA)   (resid  29 and name   HN)   2.240    0.440    0.440  
assign (resid  28 and name   HA)   (resid  29 and name  HB#)   3.915    2.115    2.115  
assign (resid  28 and name  HB1)   (resid  29 and name   HN)   2.830    1.030    1.030  
assign (resid  28 and name  HB1)   (resid  30 and name  HB#)   0.000    0.000    6.000    
assign (resid  28 and name  HB2)   (resid  29 and name   HN)   0.000    0.000    5.000  
assign (resid  28 and name  HB#)   (resid  29 and name   HN)   2.610    0.810    0.810  
assign (resid  29 and name   HN)   (resid  30 and name   HN)   3.400    1.600    1.600  
assign (resid  29 and name   HA)   (resid  30 and name   HN)   2.350    0.550    0.550  
assign (resid  30 and name   HA)   (resid  31 and name   HN)   2.285    0.485    0.485  
assign (resid  30 and name  HG2)   (resid  31 and name   HN)   3.650    1.850    1.850  
assign (resid  30 and name  HG1)   (resid  31 and name   HN)   3.650    1.850    1.850  
assign (resid  30 and name  HG#)   (resid  31 and name   HN)   3.575    1.775    1.775  
assign (resid  30 and name  HD#)   (resid  31 and name   HN)   4.090    2.290    2.290
assign (resid 20 and name HN) (resid 17 and name O) 0 0 2
assign (resid 20 and name N) (resid 17 and name O) 0 0 3
assign (resid 21 and name NH) (resid 29 and name O) 0 0 2
assign (resid 21 and name N) (resid 29 and name O) 0 0 3
assign (resid 29 and name HN) (resid 21 and name O) 0 0 2
assign (resid 29 and name N) (resid 21 and name O) 0 0 3
assign (resid 27 and name HN) (resid 24 and name O) 0 0 2
assign (resid 27 and name N) (resid 24 and name O) 0 0 3
assign (resid 28 and name HN) (resid 8 and name O) 0 0 2
assign (resid 28 and name N) (resid 8 and name O) 0 0 3
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLY   1           H        GLY   1   3.392   2.886   3.158
    2   1HA   GLY   1          2HA       GLY   1   3.049   4.662   1.655
    3   2HA   GLY   1          1HA       GLY   1   4.536   5.401   2.224
    4    H    SER   2           H        SER   2   5.827   2.626   1.861
    5    HA   SER   2           HA       SER   2   6.669   3.125  -0.863
    6   1HB   SER   2          2HB       SER   2   7.599   1.055   1.137
    7   2HB   SER   2          1HB       SER   2   8.369   1.402  -0.411
    8    HG   SER   2           HG       SER   2   8.082   3.171   1.793
    9    H    ILE   3           H        ILE   3   5.681   2.268  -2.531
   10    HA   ILE   3           HA       ILE   3   3.786   0.162  -2.314
   11    HB   ILE   3           HB       ILE   3   4.919   1.650  -4.670
   12   1HG1  ILE   3          2HG1      ILE   3   2.496   2.318  -4.905
   13   2HG1  ILE   3          1HG1      ILE   3   2.195   1.515  -3.370
   14   1HG2  ILE   3          1HG2      ILE   3   2.670   0.164  -5.512
   15   2HG2  ILE   3          2HG2      ILE   3   3.796  -0.964  -4.757
   16   3HG2  ILE   3          3HG2      ILE   3   4.333   0.057  -6.091
   17   1HD1  ILE   3          1HD1      ILE   3   2.933   4.158  -3.776
   18   2HD1  ILE   3          2HD1      ILE   3   4.380   3.373  -3.143
   19   3HD1  ILE   3          3HD1      ILE   3   2.865   3.291  -2.241
   20    HA   PRO   4           HA       PRO   4   6.993  -2.467  -4.899
   21   1HB   PRO   4          2HB       PRO   4   9.614  -1.676  -4.617
   22   2HB   PRO   4          1HB       PRO   4   8.584  -1.262  -5.991
   23   1HG   PRO   4          2HG       PRO   4   9.248   0.357  -3.565
   24   2HG   PRO   4          1HG       PRO   4   9.144   0.869  -5.261
   25   1HD   PRO   4          2HD       PRO   4   7.163   1.373  -3.536
   26   2HD   PRO   4          1HD       PRO   4   6.825   0.943  -5.225
   27    H    ALA   5           H        ALA   5   7.803  -1.030  -1.820
   28    HA   ALA   5           HA       ALA   5   9.442  -3.116  -0.852
   29   1HB   ALA   5          1HB       ALA   5   9.458  -2.002   1.162
   30   2HB   ALA   5          2HB       ALA   5   7.794  -1.440   0.988
   31   3HB   ALA   5          3HB       ALA   5   9.080  -0.697   0.037
   32    H    CYS   6           H        CYS   6   5.965  -2.470  -0.461
   33    HA   CYS   6           HA       CYS   6   5.616  -4.880   1.081
   34   1HB   CYS   6          2HB       CYS   6   4.275  -2.787   1.451
   35   2HB   CYS   6          1HB       CYS   6   3.450  -3.123  -0.068
   36    H    GLY   7           H        GLY   7   4.437  -3.745  -2.092
   37   1HA   GLY   7          2HA       GLY   7   3.864  -4.909  -3.987
   38   2HA   GLY   7          1HA       GLY   7   4.792  -6.258  -3.347
   39    H    GLU   8           H        GLU   8   2.133  -4.868  -1.577
   40    HA   GLU   8           HA       GLU   8   0.644  -7.371  -1.933
   41   1HB   GLU   8          2HB       GLU   8   1.400  -6.118   0.370
   42   2HB   GLU   8          1HB       GLU   8  -0.226  -5.483   0.157
   43   1HG   GLU   8          2HG       GLU   8   0.318  -8.416  -0.015
   44   2HG   GLU   8          1HG       GLU   8   0.100  -7.616   1.534
   45    H    SER   9           H        SER   9  -1.725  -7.223  -2.111
   46    HA   SER   9           HA       SER   9  -2.564  -4.679  -3.360
   47   1HB   SER   9          2HB       SER   9  -3.364  -7.458  -4.254
   48   2HB   SER   9          1HB       SER   9  -3.845  -5.936  -5.006
   49    HG   SER   9           HG       SER   9  -1.118  -6.369  -4.692
   50    H    CYS  10           H        CYS  10  -4.283  -3.777  -2.467
   51    HA   CYS  10           HA       CYS  10  -5.872  -5.344  -0.596
   52   1HB   CYS  10          2HB       CYS  10  -6.803  -3.032  -0.007
   53   2HB   CYS  10          1HB       CYS  10  -5.137  -3.375   0.431
   54    H    PHE  11           H        PHE  11  -8.000  -5.663  -0.765
   55    HA   PHE  11           HA       PHE  11  -9.582  -4.413  -2.828
   56   1HB   PHE  11          2HB       PHE  11 -10.305  -6.847  -3.558
   57   2HB   PHE  11          1HB       PHE  11  -8.911  -6.069  -4.294
   58    HD1  PHE  11           1HD      PHE  11  -9.505  -8.061  -1.169
   59    HD2  PHE  11           2HD      PHE  11  -7.193  -7.506  -4.699
   60    HE1  PHE  11           1HE      PHE  11  -8.090  -9.971  -0.538
   61    HE2  PHE  11           2HE      PHE  11  -5.776  -9.415  -4.074
   62    HZ   PHE  11           HZ       PHE  11  -6.223 -10.650  -1.991
   63    H    LYS  12           H        LYS  12 -11.064  -7.272  -2.250
   64    HA   LYS  12           HA       LYS  12 -12.799  -6.125  -0.247
   65   1HB   LYS  12          2HB       LYS  12 -12.817  -8.819  -1.623
   66   2HB   LYS  12          1HB       LYS  12 -14.037  -8.295  -0.472
   67   1HG   LYS  12          2HG       LYS  12 -14.631  -6.437  -1.952
   68   2HG   LYS  12          1HG       LYS  12 -13.416  -6.982  -3.111
   69   1HD   LYS  12          2HD       LYS  12 -14.598  -9.087  -3.394
   70   2HD   LYS  12          1HD       LYS  12 -15.786  -8.603  -2.181
   71   1HE   LYS  12          2HE       LYS  12 -15.280  -7.189  -4.798
   72   2HE   LYS  12          1HE       LYS  12 -16.612  -8.299  -4.481
   73   1HZ   LYS  12          1HZ       LYS  12 -16.132  -5.679  -3.168
   74   2HZ   LYS  12          2HZ       LYS  12 -17.339  -6.767  -2.702
   75   3HZ   LYS  12          3HZ       LYS  12 -17.384  -6.064  -4.239
   76    H    GLY  13           H        GLY  13 -10.394  -6.219   0.853
   77   1HA   GLY  13          2HA       GLY  13 -10.725  -7.687   3.218
   78   2HA   GLY  13          1HA       GLY  13  -9.612  -8.564   2.174
   79    H    LYS  14           H        LYS  14  -8.979  -7.373   4.705
   80    HA   LYS  14           HA       LYS  14  -7.642  -4.902   4.370
   81   1HB   LYS  14          2HB       LYS  14  -6.619  -5.553   6.587
   82   2HB   LYS  14          1HB       LYS  14  -8.379  -5.547   6.549
   83   1HG   LYS  14          2HG       LYS  14  -7.932  -7.512   7.663
   84   2HG   LYS  14          1HG       LYS  14  -8.112  -8.081   6.003
   85   1HD   LYS  14          2HD       LYS  14  -5.506  -7.549   5.983
   86   2HD   LYS  14          1HD       LYS  14  -5.718  -7.878   7.686
   87   1HE   LYS  14          2HE       LYS  14  -5.180  -9.966   6.853
   88   2HE   LYS  14          1HE       LYS  14  -6.943 -10.012   6.882
   89   1HZ   LYS  14          1HZ       LYS  14  -6.051  -8.933   4.423
   90   2HZ   LYS  14          2HZ       LYS  14  -6.965 -10.334   4.699
   91   3HZ   LYS  14          3HZ       LYS  14  -5.277 -10.413   4.701
   92    H    CYS  15           H        CYS  15  -5.262  -4.658   4.687
   93    HA   CYS  15           HA       CYS  15  -3.799  -5.938   2.691
   94   1HB   CYS  15          2HB       CYS  15  -2.749  -4.527   5.152
   95   2HB   CYS  15          1HB       CYS  15  -1.819  -4.886   3.701
   96    H    TYR  16           H        TYR  16  -2.504  -7.689   2.619
   97    HA   TYR  16           HA       TYR  16  -2.762  -9.598   4.762
   98   1HB   TYR  16          2HB       TYR  16  -1.371  -9.711   2.083
   99   2HB   TYR  16          1HB       TYR  16  -1.358 -11.047   3.231
  100    HD1  TYR  16           1HD      TYR  16  -3.936  -8.737   1.773
  101    HD2  TYR  16           2HD      TYR  16  -2.838 -12.730   2.748
  102    HE1  TYR  16           1HE      TYR  16  -6.082  -9.538   0.883
  103    HE2  TYR  16           2HE      TYR  16  -4.980 -13.541   1.857
  104    HH   TYR  16           HH       TYR  16  -6.840 -12.013  -0.136
  105    H    THR  17           H        THR  17  -0.131  -7.744   3.286
  106    HA   THR  17           HA       THR  17   1.817  -8.821   5.063
  107    HB   THR  17           HB       THR  17   2.076  -6.364   3.327
  108    HG1  THR  17           1HG      THR  17   2.536  -7.699   1.685
  109   1HG2  THR  17          1HG2      THR  17   4.133  -6.235   4.183
  110   2HG2  THR  17          2HG2      THR  17   4.479  -7.839   3.535
  111   3HG2  THR  17          3HG2      THR  17   3.841  -7.666   5.169
  112    HA   PRO  18           HA       PRO  18   0.647  -6.272   8.540
  113   1HB   PRO  18          2HB       PRO  18   2.989  -6.834   9.937
  114   2HB   PRO  18          1HB       PRO  18   1.496  -7.772  10.010
  115   1HG   PRO  18          2HG       PRO  18   3.975  -8.270   8.427
  116   2HG   PRO  18          1HG       PRO  18   2.900  -9.431   9.227
  117   1HD   PRO  18          2HD       PRO  18   2.840  -9.060   6.571
  118   2HD   PRO  18          1HD       PRO  18   1.360  -9.387   7.496
  119    H    GLY  19           H        GLY  19   0.930  -4.184   8.838
  120   1HA   GLY  19          2HA       GLY  19   2.213  -2.242   9.246
  121   2HA   GLY  19          1HA       GLY  19   3.569  -2.994   8.424
  122    H    CYS  20           H        CYS  20   1.349  -3.747   6.291
  123    HA   CYS  20           HA       CYS  20   1.886  -1.342   4.742
  124   1HB   CYS  20          2HB       CYS  20   0.476  -3.867   3.881
  125   2HB   CYS  20          1HB       CYS  20   1.043  -2.570   2.835
  126    H    SER  21           H        SER  21   0.351  -0.028   3.835
  127    HA   SER  21           HA       SER  21  -2.388  -0.336   4.870
  128   1HB   SER  21          2HB       SER  21  -0.909   2.277   4.472
  129   2HB   SER  21          1HB       SER  21  -2.519   2.071   5.162
  130    HG   SER  21           HG       SER  21  -0.750   0.532   6.474
  131    H    CYS  22           H        CYS  22  -4.033   0.088   3.449
  132    HA   CYS  22           HA       CYS  22  -3.404   0.005   0.654
  133   1HB   CYS  22          2HB       CYS  22  -5.332  -1.203   1.671
  134   2HB   CYS  22          1HB       CYS  22  -6.093   0.345   2.007
  135    H    SER  23           H        SER  23  -2.225   2.237   1.423
  136    HA   SER  23           HA       SER  23  -3.976   4.525   1.066
  137   1HB   SER  23          2HB       SER  23  -0.963   4.481   1.374
  138   2HB   SER  23          1HB       SER  23  -2.049   5.848   1.640
  139    HG   SER  23           HG       SER  23  -2.770   4.940   3.483
  140    H    LYS  24           H        LYS  24  -3.025   2.422  -1.050
  141    HA   LYS  24           HA       LYS  24  -2.781   4.343  -3.216
  142   1HB   LYS  24          2HB       LYS  24  -0.708   2.208  -2.678
  143   2HB   LYS  24          1HB       LYS  24  -0.866   3.039  -4.217
  144   1HG   LYS  24          2HG       LYS  24  -0.301   4.411  -1.597
  145   2HG   LYS  24          1HG       LYS  24   0.931   3.930  -2.765
  146   1HD   LYS  24          2HD       LYS  24   0.040   5.415  -4.418
  147   2HD   LYS  24          1HD       LYS  24  -1.372   5.763  -3.417
  148   1HE   LYS  24          2HE       LYS  24   0.235   7.594  -3.329
  149   2HE   LYS  24          1HE       LYS  24   0.066   6.826  -1.752
  150   1HZ   LYS  24          1HZ       LYS  24   2.209   5.973  -3.580
  151   2HZ   LYS  24          2HZ       LYS  24   2.148   5.883  -1.892
  152   3HZ   LYS  24          3HZ       LYS  24   2.404   7.373  -2.651
  153    H    TYR  25           H        TYR  25  -5.007   3.247  -3.106
  154    HA   TYR  25           HA       TYR  25  -5.532   0.622  -3.703
  155   1HB   TYR  25          2HB       TYR  25  -6.975   3.106  -4.635
  156   2HB   TYR  25          1HB       TYR  25  -7.594   1.480  -4.893
  157    HD1  TYR  25           1HD      TYR  25  -8.917   0.472  -3.277
  158    HD2  TYR  25           2HD      TYR  25  -6.512   3.807  -2.187
  159    HE1  TYR  25           1HE      TYR  25 -10.002   0.525  -1.074
  160    HE2  TYR  25           2HE      TYR  25  -7.589   3.867   0.021
  161    HH   TYR  25           HH       TYR  25  -9.910   1.398   1.004
  162    HA   PRO  26           HA       PRO  26  -6.366  -0.769  -4.548
  163   1HB   PRO  26          2HB       PRO  26  -6.456  -2.947  -6.094
  164   2HB   PRO  26          1HB       PRO  26  -7.482  -1.547  -6.420
  165   1HG   PRO  26          2HG       PRO  26  -5.128  -2.528  -7.898
  166   2HG   PRO  26          1HG       PRO  26  -6.449  -1.490  -8.453
  167   1HD   PRO  26          2HD       PRO  26  -3.811  -0.723  -7.523
  168   2HD   PRO  26          1HD       PRO  26  -5.084   0.304  -8.214
  169    H    LEU  27           H        LEU  27  -3.598  -0.326  -4.040
  170    HA   LEU  27           HA       LEU  27  -2.835  -3.051  -3.330
  171   1HB   LEU  27          2HB       LEU  27  -0.542  -2.748  -4.045
  172   2HB   LEU  27          1HB       LEU  27  -1.640  -2.560  -5.397
  173    HG   LEU  27           HG       LEU  27  -1.399   0.006  -4.721
  174   1HD1  LEU  27          1HD1      LEU  27   1.413  -0.785  -4.266
  175   2HD1  LEU  27          2HD1      LEU  27   0.296  -0.952  -2.910
  176   3HD1  LEU  27          3HD1      LEU  27   0.517   0.618  -3.683
  177   1HD2  LEU  27          1HD2      LEU  27   0.050   0.251  -6.561
  178   2HD2  LEU  27          2HD2      LEU  27  -0.902  -1.194  -6.899
  179   3HD2  LEU  27          3HD2      LEU  27   0.756  -1.346  -6.318
  180    H    CYS  28           H        CYS  28  -1.473  -3.253  -1.546
  181    HA   CYS  28           HA       CYS  28  -1.680  -1.019   0.304
  182   1HB   CYS  28          2HB       CYS  28  -0.882  -3.907   0.695
  183   2HB   CYS  28          1HB       CYS  28  -0.887  -2.709   1.985
  184    H    ALA  29           H        ALA  29  -0.063   0.288   0.744
  185    HA   ALA  29           HA       ALA  29   2.612  -0.362  -0.239
  186   1HB   ALA  29          1HB       ALA  29   1.710   1.778  -0.934
  187   2HB   ALA  29          2HB       ALA  29   3.082   2.030   0.145
  188   3HB   ALA  29          3HB       ALA  29   1.438   2.238   0.748
  189    H    LYS  30           H        LYS  30   4.372  -0.547   1.096
  190    HA   LYS  30           HA       LYS  30   3.796  -0.913   3.925
  191   1HB   LYS  30          2HB       LYS  30   5.166  -2.583   2.669
  192   2HB   LYS  30          1HB       LYS  30   6.391  -1.346   2.423
  193   1HG   LYS  30          2HG       LYS  30   6.828  -2.977   4.287
  194   2HG   LYS  30          1HG       LYS  30   6.916  -1.269   4.724
  195   1HD   LYS  30          2HD       LYS  30   4.756  -1.345   5.742
  196   2HD   LYS  30          1HD       LYS  30   4.458  -2.968   5.118
  197   1HE   LYS  30          2HE       LYS  30   6.752  -2.386   6.961
  198   2HE   LYS  30          1HE       LYS  30   5.135  -2.720   7.579
  199   1HZ   LYS  30          1HZ       LYS  30   6.220  -4.586   5.619
  200   2HZ   LYS  30          2HZ       LYS  30   5.241  -4.879   6.970
  201   3HZ   LYS  30          3HZ       LYS  30   6.903  -4.618   7.167
  202    H    ASN  31           H        ASN  31   3.674   0.949   4.972
  203    HA   ASN  31           HA       ASN  31   4.194   2.977   5.828
  204   1HB   ASN  31          2HB       ASN  31   7.007   2.054   5.187
  205   2HB   ASN  31          1HB       ASN  31   6.637   3.498   6.121
  206   1HD2  ASN  31          1HD2      ASN  31   6.736   3.237   8.218
  207   2HD2  ASN  31          2HD2      ASN  31   6.448   1.772   9.084
  Start of MODEL    2
    1    H    GLY   1           H        GLY   1   3.249   3.035   2.906
    2   1HA   GLY   1          2HA       GLY   1   3.044   4.889   1.424
    3   2HA   GLY   1          1HA       GLY   1   4.645   5.415   1.910
    4    H    SER   2           H        SER   2   5.884   2.791   1.545
    5    HA   SER   2           HA       SER   2   6.289   3.000  -1.315
    6   1HB   SER   2          2HB       SER   2   8.205   2.791   0.244
    7   2HB   SER   2          1HB       SER   2   7.640   1.181   0.691
    8    HG   SER   2           HG       SER   2   9.309   1.571  -1.125
    9    H    ILE   3           H        ILE   3   5.305   1.800  -2.778
   10    HA   ILE   3           HA       ILE   3   3.578  -0.357  -2.038
   11    HB   ILE   3           HB       ILE   3   4.337   0.809  -4.708
   12   1HG1  ILE   3          2HG1      ILE   3   2.830   2.095  -3.195
   13   2HG1  ILE   3          1HG1      ILE   3   2.062   1.634  -4.712
   14   1HG2  ILE   3          1HG2      ILE   3   2.587  -1.568  -4.131
   15   2HG2  ILE   3          2HG2      ILE   3   3.957  -1.461  -5.236
   16   3HG2  ILE   3          3HG2      ILE   3   2.454  -0.621  -5.613
   17   1HD1  ILE   3          1HD1      ILE   3   0.448   1.235  -3.091
   18   2HD1  ILE   3          2HD1      ILE   3   1.614   0.532  -1.969
   19   3HD1  ILE   3          3HD1      ILE   3   1.133  -0.358  -3.414
   20    HA   PRO   4           HA       PRO   4   6.831  -3.000  -4.642
   21   1HB   PRO   4          2HB       PRO   4   9.254  -1.384  -4.035
   22   2HB   PRO   4          1HB       PRO   4   8.826  -2.265  -5.506
   23   1HG   PRO   4          2HG       PRO   4   8.661   0.384  -5.431
   24   2HG   PRO   4          1HG       PRO   4   7.424  -0.575  -6.266
   25   1HD   PRO   4          2HD       PRO   4   7.308   0.750  -3.587
   26   2HD   PRO   4          1HD       PRO   4   6.052   0.620  -4.835
   27    H    ALA   5           H        ALA   5   7.702  -1.233  -1.725
   28    HA   ALA   5           HA       ALA   5   9.323  -3.240  -0.568
   29   1HB   ALA   5          1HB       ALA   5   9.685  -1.244   0.468
   30   2HB   ALA   5          2HB       ALA   5   8.532  -1.946   1.603
   31   3HB   ALA   5          3HB       ALA   5   7.986  -0.774   0.404
   32    H    CYS   6           H        CYS   6   5.864  -2.621  -0.508
   33    HA   CYS   6           HA       CYS   6   5.376  -4.642   1.486
   34   1HB   CYS   6          2HB       CYS   6   3.935  -2.625   1.278
   35   2HB   CYS   6          1HB       CYS   6   3.377  -3.226  -0.282
   36    H    GLY   7           H        GLY   7   4.670  -4.272  -1.981
   37   1HA   GLY   7          2HA       GLY   7   4.403  -5.843  -3.636
   38   2HA   GLY   7          1HA       GLY   7   5.192  -6.994  -2.568
   39    H    GLU   8           H        GLU   8   2.164  -5.216  -2.051
   40    HA   GLU   8           HA       GLU   8   0.665  -7.704  -2.337
   41   1HB   GLU   8          2HB       GLU   8   1.216  -7.610   0.030
   42   2HB   GLU   8          1HB       GLU   8   0.606  -5.965   0.136
   43   1HG   GLU   8          2HG       GLU   8  -0.975  -7.547   1.070
   44   2HG   GLU   8          1HG       GLU   8  -1.645  -6.751  -0.350
   45    H    SER   9           H        SER   9  -1.430  -7.475  -2.922
   46    HA   SER   9           HA       SER   9  -2.200  -4.840  -3.924
   47   1HB   SER   9          2HB       SER   9  -3.504  -7.530  -4.393
   48   2HB   SER   9          1HB       SER   9  -3.809  -6.035  -5.282
   49    HG   SER   9           HG       SER   9  -1.172  -6.896  -5.179
   50    H    CYS  10           H        CYS  10  -4.045  -3.789  -3.301
   51    HA   CYS  10           HA       CYS  10  -5.171  -4.600  -0.750
   52   1HB   CYS  10          2HB       CYS  10  -4.487  -2.298  -0.963
   53   2HB   CYS  10          1HB       CYS  10  -5.467  -2.092  -2.409
   54    H    PHE  11           H        PHE  11  -6.123  -4.352  -4.110
   55    HA   PHE  11           HA       PHE  11  -8.904  -4.433  -3.785
   56   1HB   PHE  11          2HB       PHE  11  -8.993  -5.236  -6.121
   57   2HB   PHE  11          1HB       PHE  11  -7.950  -3.838  -5.916
   58    HD1  PHE  11           1HD      PHE  11  -5.894  -3.847  -6.926
   59    HD2  PHE  11           2HD      PHE  11  -7.750  -7.571  -6.031
   60    HE1  PHE  11           1HE      PHE  11  -4.092  -5.026  -8.110
   61    HE2  PHE  11           2HE      PHE  11  -5.944  -8.757  -7.206
   62    HZ   PHE  11           HZ       PHE  11  -4.112  -7.485  -8.249
   63    H    LYS  12           H        LYS  12  -6.637  -6.830  -3.104
   64    HA   LYS  12           HA       LYS  12  -8.125  -9.161  -3.696
   65   1HB   LYS  12          2HB       LYS  12  -5.868  -8.607  -1.777
   66   2HB   LYS  12          1HB       LYS  12  -6.579 -10.204  -1.963
   67   1HG   LYS  12          2HG       LYS  12  -5.849 -10.387  -4.191
   68   2HG   LYS  12          1HG       LYS  12  -5.471  -8.667  -4.289
   69   1HD   LYS  12          2HD       LYS  12  -3.448 -10.033  -4.083
   70   2HD   LYS  12          1HD       LYS  12  -3.651  -8.955  -2.704
   71   1HE   LYS  12          2HE       LYS  12  -4.607 -10.839  -1.420
   72   2HE   LYS  12          1HE       LYS  12  -4.297 -11.901  -2.794
   73   1HZ   LYS  12          1HZ       LYS  12  -2.106 -11.979  -2.338
   74   2HZ   LYS  12          2HZ       LYS  12  -2.579 -11.522  -0.781
   75   3HZ   LYS  12          3HZ       LYS  12  -2.019 -10.352  -1.867
   76    H    GLY  13           H        GLY  13  -8.208  -6.882  -1.079
   77   1HA   GLY  13          2HA       GLY  13 -10.614  -7.201  -0.064
   78   2HA   GLY  13          1HA       GLY  13  -9.851  -8.653   0.573
   79    H    LYS  14           H        LYS  14  -7.344  -7.741   1.138
   80    HA   LYS  14           HA       LYS  14  -7.280  -5.331   2.596
   81   1HB   LYS  14          2HB       LYS  14  -6.978  -6.425   4.874
   82   2HB   LYS  14          1HB       LYS  14  -8.621  -6.330   4.268
   83   1HG   LYS  14          2HG       LYS  14  -8.365  -8.457   5.271
   84   2HG   LYS  14          1HG       LYS  14  -8.390  -8.717   3.528
   85   1HD   LYS  14          2HD       LYS  14  -6.044  -9.064   3.462
   86   2HD   LYS  14          1HD       LYS  14  -5.842  -8.479   5.111
   87   1HE   LYS  14          2HE       LYS  14  -7.361 -10.965   4.338
   88   2HE   LYS  14          1HE       LYS  14  -5.694 -10.946   4.907
   89   1HZ   LYS  14          1HZ       LYS  14  -6.435 -10.014   6.994
   90   2HZ   LYS  14          2HZ       LYS  14  -7.264 -11.455   6.684
   91   3HZ   LYS  14          3HZ       LYS  14  -8.037  -9.970   6.448
   92    H    CYS  15           H        CYS  15  -5.197  -5.018   3.643
   93    HA   CYS  15           HA       CYS  15  -3.089  -6.158   2.125
   94   1HB   CYS  15          2HB       CYS  15  -2.903  -4.549   4.682
   95   2HB   CYS  15          1HB       CYS  15  -1.612  -4.809   3.512
   96    H    TYR  16           H        TYR  16  -1.978  -7.968   2.481
   97    HA   TYR  16           HA       TYR  16  -2.523  -9.531   4.857
   98   1HB   TYR  16          2HB       TYR  16  -2.300 -10.428   2.448
   99   2HB   TYR  16          1HB       TYR  16  -0.569 -10.248   2.679
  100    HD1  TYR  16           1HD      TYR  16   0.344 -12.364   2.883
  101    HD2  TYR  16           2HD      TYR  16  -3.246 -11.466   4.981
  102    HE1  TYR  16           1HE      TYR  16   0.437 -14.567   3.974
  103    HE2  TYR  16           2HE      TYR  16  -3.163 -13.664   6.078
  104    HH   TYR  16           HH       TYR  16  -0.446 -15.608   6.102
  105    H    THR  17           H        THR  17   0.214  -7.993   3.273
  106    HA   THR  17           HA       THR  17   2.181  -8.776   5.117
  107    HB   THR  17           HB       THR  17   2.362  -6.236   3.528
  108    HG1  THR  17           1HG      THR  17   2.985  -7.661   1.745
  109   1HG2  THR  17          1HG2      THR  17   4.662  -6.778   3.378
  110   2HG2  THR  17          2HG2      THR  17   4.381  -8.437   3.907
  111   3HG2  THR  17          3HG2      THR  17   4.206  -7.106   5.051
  112    HA   PRO  18           HA       PRO  18   0.856  -6.250   8.569
  113   1HB   PRO  18          2HB       PRO  18   3.208  -6.706   9.985
  114   2HB   PRO  18          1HB       PRO  18   1.754  -7.703  10.061
  115   1HG   PRO  18          2HG       PRO  18   4.263  -8.121   8.507
  116   2HG   PRO  18          1HG       PRO  18   3.222  -9.313   9.305
  117   1HD   PRO  18          2HD       PRO  18   3.186  -8.959   6.642
  118   2HD   PRO  18          1HD       PRO  18   1.712  -9.356   7.551
  119    H    GLY  19           H        GLY  19   1.076  -4.147   8.844
  120   1HA   GLY  19          2HA       GLY  19   2.324  -2.168   9.219
  121   2HA   GLY  19          1HA       GLY  19   3.673  -2.887   8.354
  122    H    CYS  20           H        CYS  20   1.316  -3.703   6.345
  123    HA   CYS  20           HA       CYS  20   1.783  -1.332   4.718
  124   1HB   CYS  20          2HB       CYS  20   0.312  -3.867   4.003
  125   2HB   CYS  20          1HB       CYS  20   0.768  -2.577   2.899
  126    H    SER  21           H        SER  21   0.195  -0.058   3.821
  127    HA   SER  21           HA       SER  21  -2.504  -0.336   4.952
  128   1HB   SER  21          2HB       SER  21  -1.009   2.276   4.597
  129   2HB   SER  21          1HB       SER  21  -2.617   2.068   5.292
  130    HG   SER  21           HG       SER  21  -1.001   0.474   6.627
  131    H    CYS  22           H        CYS  22  -4.180   0.240   3.576
  132    HA   CYS  22           HA       CYS  22  -3.595   0.140   0.768
  133   1HB   CYS  22          2HB       CYS  22  -5.585  -0.949   1.869
  134   2HB   CYS  22          1HB       CYS  22  -6.261   0.657   2.103
  135    H    SER  23           H        SER  23  -2.286   2.280   1.542
  136    HA   SER  23           HA       SER  23  -3.913   4.675   1.217
  137   1HB   SER  23          2HB       SER  23  -0.914   4.507   1.557
  138   2HB   SER  23          1HB       SER  23  -1.963   5.887   1.886
  139    HG   SER  23           HG       SER  23  -2.558   5.020   3.738
  140    H    LYS  24           H        LYS  24  -3.000   2.561  -0.909
  141    HA   LYS  24           HA       LYS  24  -2.608   4.515  -3.033
  142   1HB   LYS  24          2HB       LYS  24  -0.747   2.161  -2.603
  143   2HB   LYS  24          1HB       LYS  24  -0.779   3.159  -4.045
  144   1HG   LYS  24          2HG       LYS  24  -0.165   4.216  -1.297
  145   2HG   LYS  24          1HG       LYS  24   1.061   3.668  -2.441
  146   1HD   LYS  24          2HD       LYS  24   0.341   5.356  -4.043
  147   2HD   LYS  24          1HD       LYS  24  -0.927   5.884  -2.934
  148   1HE   LYS  24          2HE       LYS  24   0.985   7.379  -2.814
  149   2HE   LYS  24          1HE       LYS  24   0.779   6.513  -1.292
  150   1HZ   LYS  24          1HZ       LYS  24   2.624   5.499  -3.358
  151   2HZ   LYS  24          2HZ       LYS  24   2.634   5.203  -1.692
  152   3HZ   LYS  24          3HZ       LYS  24   3.118   6.711  -2.286
  153    H    TYR  25           H        TYR  25  -4.913   3.336  -2.580
  154    HA   TYR  25           HA       TYR  25  -5.530   0.810  -3.413
  155   1HB   TYR  25          2HB       TYR  25  -7.084   2.623  -2.523
  156   2HB   TYR  25          1HB       TYR  25  -7.179   3.227  -4.174
  157    HD1  TYR  25           1HD      TYR  25  -7.539  -0.029  -2.360
  158    HD2  TYR  25           2HD      TYR  25  -8.996   2.545  -5.418
  159    HE1  TYR  25           1HE      TYR  25  -9.349  -1.623  -2.829
  160    HE2  TYR  25           2HE      TYR  25 -10.813   0.957  -5.894
  161    HH   TYR  25           HH       TYR  25 -11.514  -1.709  -3.835
  162    HA   PRO  26           HA       PRO  26  -6.511  -0.514  -4.371
  163   1HB   PRO  26          2HB       PRO  26  -6.568  -2.561  -6.069
  164   2HB   PRO  26          1HB       PRO  26  -7.678  -1.198  -6.246
  165   1HG   PRO  26          2HG       PRO  26  -5.256  -1.883  -7.824
  166   2HG   PRO  26          1HG       PRO  26  -6.741  -1.066  -8.338
  167   1HD   PRO  26          2HD       PRO  26  -4.271   0.141  -7.612
  168   2HD   PRO  26          1HD       PRO  26  -5.803   0.961  -7.969
  169    H    LEU  27           H        LEU  27  -3.627   0.110  -4.295
  170    HA   LEU  27           HA       LEU  27  -2.600  -2.614  -3.840
  171   1HB   LEU  27          2HB       LEU  27  -1.121  -0.155  -4.757
  172   2HB   LEU  27          1HB       LEU  27  -0.328  -1.628  -4.223
  173    HG   LEU  27           HG       LEU  27  -2.303  -1.599  -6.472
  174   1HD1  LEU  27          1HD1      LEU  27   0.675  -1.164  -6.556
  175   2HD1  LEU  27          2HD1      LEU  27  -0.588  -0.103  -7.179
  176   3HD1  LEU  27          3HD1      LEU  27  -0.276  -1.654  -7.959
  177   1HD2  LEU  27          1HD2      LEU  27  -1.609  -3.726  -5.220
  178   2HD2  LEU  27          2HD2      LEU  27  -0.052  -3.522  -6.024
  179   3HD2  LEU  27          3HD2      LEU  27  -1.519  -3.732  -6.981
  180    H    CYS  28           H        CYS  28  -1.135  -2.886  -2.125
  181    HA   CYS  28           HA       CYS  28  -1.703  -1.087   0.121
  182   1HB   CYS  28          2HB       CYS  28  -0.639  -3.911  -0.018
  183   2HB   CYS  28          1HB       CYS  28  -0.681  -2.977   1.473
  184    H    ALA  29           H        ALA  29  -0.244   0.273   0.841
  185    HA   ALA  29           HA       ALA  29   2.487   0.081  -0.186
  186   1HB   ALA  29          1HB       ALA  29   2.682   2.386   0.150
  187   2HB   ALA  29          2HB       ALA  29   1.333   2.426   1.285
  188   3HB   ALA  29          3HB       ALA  29   1.032   2.170  -0.434
  189    H    LYS  30           H        LYS  30   4.180  -0.306   1.082
  190    HA   LYS  30           HA       LYS  30   3.712  -0.860   3.902
  191   1HB   LYS  30          2HB       LYS  30   5.028  -2.451   2.490
  192   2HB   LYS  30          1HB       LYS  30   6.233  -1.195   2.255
  193   1HG   LYS  30          2HG       LYS  30   6.789  -2.919   3.983
  194   2HG   LYS  30          1HG       LYS  30   6.864  -1.246   4.537
  195   1HD   LYS  30          2HD       LYS  30   4.809  -1.440   5.696
  196   2HD   LYS  30          1HD       LYS  30   4.429  -2.973   4.911
  197   1HE   LYS  30          2HE       LYS  30   6.843  -2.650   6.665
  198   2HE   LYS  30          1HE       LYS  30   5.257  -3.036   7.333
  199   1HZ   LYS  30          1HZ       LYS  30   5.356  -5.124   6.578
  200   2HZ   LYS  30          2HZ       LYS  30   7.026  -4.859   6.481
  201   3HZ   LYS  30          3HZ       LYS  30   6.063  -4.686   5.101
  202    H    ASN  31           H        ASN  31   3.374   1.181   4.661
  203    HA   ASN  31           HA       ASN  31   3.884   3.177   5.581
  204   1HB   ASN  31          2HB       ASN  31   5.955   1.747   6.331
  205   2HB   ASN  31          1HB       ASN  31   6.824   2.718   5.147
  206   1HD2  ASN  31          1HD2      ASN  31   6.131   2.485   8.304
  207   2HD2  ASN  31          2HD2      ASN  31   6.267   4.140   8.774
  Start of MODEL    3
    1    H    GLY   1           H        GLY   1   3.370   2.778   3.140
    2   1HA   GLY   1          2HA       GLY   1   3.145   4.679   1.749
    3   2HA   GLY   1          1HA       GLY   1   4.653   5.299   2.396
    4    H    SER   2           H        SER   2   5.827   2.505   1.942
    5    HA   SER   2           HA       SER   2   6.688   3.064  -0.778
    6   1HB   SER   2          2HB       SER   2   8.355   2.539   0.977
    7   2HB   SER   2          1HB       SER   2   7.652   0.930   1.139
    8    HG   SER   2           HG       SER   2   9.561   1.553  -0.448
    9    H    ILE   3           H        ILE   3   5.710   2.209  -2.448
   10    HA   ILE   3           HA       ILE   3   3.796   0.132  -2.248
   11    HB   ILE   3           HB       ILE   3   5.012   1.558  -4.602
   12   1HG1  ILE   3          2HG1      ILE   3   2.630   2.311  -4.892
   13   2HG1  ILE   3          1HG1      ILE   3   2.245   1.503  -3.378
   14   1HG2  ILE   3          1HG2      ILE   3   2.736   0.108  -5.450
   15   2HG2  ILE   3          2HG2      ILE   3   3.836  -1.029  -4.670
   16   3HG2  ILE   3          3HG2      ILE   3   4.401  -0.033  -6.013
   17   1HD1  ILE   3          1HD1      ILE   3   2.935   3.240  -2.200
   18   2HD1  ILE   3          2HD1      ILE   3   3.063   4.126  -3.721
   19   3HD1  ILE   3          3HD1      ILE   3   4.474   3.301  -3.060
   20    HA   PRO   4           HA       PRO   4   7.023  -2.585  -4.727
   21   1HB   PRO   4          2HB       PRO   4   9.567  -1.282  -3.943
   22   2HB   PRO   4          1HB       PRO   4   9.077  -1.954  -5.502
   23   1HG   PRO   4          2HG       PRO   4   9.206   0.680  -5.135
   24   2HG   PRO   4          1HG       PRO   4   7.909  -0.044  -6.106
   25   1HD   PRO   4          2HD       PRO   4   7.826   0.972  -3.291
   26   2HD   PRO   4          1HD       PRO   4   6.627   1.150  -4.588
   27    H    ALA   5           H        ALA   5   7.789  -1.147  -1.625
   28    HA   ALA   5           HA       ALA   5   9.297  -3.302  -0.593
   29   1HB   ALA   5          1HB       ALA   5   9.563  -1.980   1.179
   30   2HB   ALA   5          2HB       ALA   5   7.824  -1.805   1.416
   31   3HB   ALA   5          3HB       ALA   5   8.666  -0.769   0.264
   32    H    CYS   6           H        CYS   6   5.834  -2.607  -0.581
   33    HA   CYS   6           HA       CYS   6   5.273  -4.823   1.178
   34   1HB   CYS   6          2HB       CYS   6   3.908  -2.701   1.091
   35   2HB   CYS   6          1HB       CYS   6   3.271  -3.266  -0.452
   36    H    GLY   7           H        GLY   7   4.313  -4.079  -2.177
   37   1HA   GLY   7          2HA       GLY   7   4.096  -5.461  -4.002
   38   2HA   GLY   7          1HA       GLY   7   4.919  -6.714  -3.086
   39    H    GLU   8           H        GLU   8   1.992  -5.176  -1.912
   40    HA   GLU   8           HA       GLU   8   0.439  -7.545  -2.683
   41   1HB   GLU   8          2HB       GLU   8   1.195  -7.747  -0.298
   42   2HB   GLU   8          1HB       GLU   8   0.301  -6.275   0.060
   43   1HG   GLU   8          2HG       GLU   8  -1.774  -7.372  -0.644
   44   2HG   GLU   8          1HG       GLU   8  -0.873  -8.849  -0.973
   45    H    SER   9           H        SER   9  -1.667  -7.141  -3.241
   46    HA   SER   9           HA       SER   9  -2.410  -4.304  -3.378
   47   1HB   SER   9          2HB       SER   9  -3.494  -6.610  -5.008
   48   2HB   SER   9          1HB       SER   9  -3.775  -4.889  -5.287
   49    HG   SER   9           HG       SER   9  -1.148  -5.319  -5.175
   50    H    CYS  10           H        CYS  10  -4.266  -3.561  -2.514
   51    HA   CYS  10           HA       CYS  10  -5.758  -5.358  -0.787
   52   1HB   CYS  10          2HB       CYS  10  -6.875  -3.070  -0.173
   53   2HB   CYS  10          1HB       CYS  10  -5.249  -3.424   0.392
   54    H    PHE  11           H        PHE  11  -8.002  -3.177  -1.193
   55    HA   PHE  11           HA       PHE  11  -9.930  -2.912  -2.358
   56   1HB   PHE  11          2HB       PHE  11  -8.708  -2.496  -4.367
   57   2HB   PHE  11          1HB       PHE  11  -8.325  -4.202  -4.566
   58    HD1  PHE  11           1HD      PHE  11 -11.444  -2.190  -4.085
   59    HD2  PHE  11           2HD      PHE  11  -9.405  -5.190  -6.313
   60    HE1  PHE  11           1HE      PHE  11 -13.429  -2.476  -5.509
   61    HE2  PHE  11           2HE      PHE  11 -11.387  -5.477  -7.744
   62    HZ   PHE  11           HZ       PHE  11 -13.402  -4.120  -7.342
   63    H    LYS  12           H        LYS  12  -8.593  -6.111  -3.142
   64    HA   LYS  12           HA       LYS  12 -11.079  -7.445  -3.266
   65   1HB   LYS  12          2HB       LYS  12  -8.957  -8.268  -4.262
   66   2HB   LYS  12          1HB       LYS  12  -8.346  -8.584  -2.646
   67   1HG   LYS  12          2HG       LYS  12 -10.110 -10.229  -2.291
   68   2HG   LYS  12          1HG       LYS  12 -10.741  -9.904  -3.908
   69   1HD   LYS  12          2HD       LYS  12  -7.972 -10.932  -3.294
   70   2HD   LYS  12          1HD       LYS  12  -9.328 -11.926  -3.833
   71   1HE   LYS  12          2HE       LYS  12  -9.434 -10.686  -5.920
   72   2HE   LYS  12          1HE       LYS  12  -8.142  -9.618  -5.373
   73   1HZ   LYS  12          1HZ       LYS  12  -6.587 -11.112  -5.901
   74   2HZ   LYS  12          2HZ       LYS  12  -7.785 -11.847  -6.843
   75   3HZ   LYS  12          3HZ       LYS  12  -7.467 -12.418  -5.282
   76    H    GLY  13           H        GLY  13  -8.926  -6.653  -0.660
   77   1HA   GLY  13          2HA       GLY  13 -10.838  -6.968   1.345
   78   2HA   GLY  13          1HA       GLY  13  -9.873  -8.440   1.292
   79    H    LYS  14           H        LYS  14  -8.873  -8.129   3.275
   80    HA   LYS  14           HA       LYS  14  -7.442  -5.678   3.790
   81   1HB   LYS  14          2HB       LYS  14  -6.883  -6.832   5.920
   82   2HB   LYS  14          1HB       LYS  14  -8.616  -6.781   5.614
   83   1HG   LYS  14          2HG       LYS  14  -8.351  -8.955   6.298
   84   2HG   LYS  14          1HG       LYS  14  -8.196  -9.137   4.548
   85   1HD   LYS  14          2HD       LYS  14  -5.667  -8.721   5.032
   86   2HD   LYS  14          1HD       LYS  14  -6.115  -9.215   6.645
   87   1HE   LYS  14          2HE       LYS  14  -5.445 -11.216   5.691
   88   2HE   LYS  14          1HE       LYS  14  -7.195 -11.255   5.473
   89   1HZ   LYS  14          1HZ       LYS  14  -5.219 -11.402   3.509
   90   2HZ   LYS  14          2HZ       LYS  14  -6.025  -9.931   3.277
   91   3HZ   LYS  14          3HZ       LYS  14  -6.897 -11.385   3.291
   92    H    CYS  15           H        CYS  15  -5.133  -5.678   4.160
   93    HA   CYS  15           HA       CYS  15  -3.765  -7.533   2.390
   94   1HB   CYS  15          2HB       CYS  15  -2.845  -4.978   3.716
   95   2HB   CYS  15          1HB       CYS  15  -1.817  -5.988   2.699
   96    H    TYR  16           H        TYR  16  -2.171  -8.913   3.023
   97    HA   TYR  16           HA       TYR  16  -2.349  -9.828   5.747
   98   1HB   TYR  16          2HB       TYR  16  -2.118 -11.231   3.592
   99   2HB   TYR  16          1HB       TYR  16  -0.412 -10.839   3.684
  100    HD1  TYR  16           1HD      TYR  16  -2.882 -11.742   6.336
  101    HD2  TYR  16           2HD      TYR  16   0.735 -12.738   4.328
  102    HE1  TYR  16           1HE      TYR  16  -2.526 -13.598   7.908
  103    HE2  TYR  16           2HE      TYR  16   1.099 -14.599   5.894
  104    HH   TYR  16           HH       TYR  16  -0.054 -14.924   8.663
  105    H    THR  17           H        THR  17   0.100  -8.380   3.683
  106    HA   THR  17           HA       THR  17   2.270  -8.645   5.409
  107    HB   THR  17           HB       THR  17   1.967  -6.341   3.501
  108    HG1  THR  17           1HG      THR  17   1.348  -8.107   2.286
  109   1HG2  THR  17          1HG2      THR  17   4.379  -6.814   3.151
  110   2HG2  THR  17          2HG2      THR  17   4.281  -8.054   4.401
  111   3HG2  THR  17          3HG2      THR  17   3.999  -6.363   4.813
  112    HA   PRO  18           HA       PRO  18   0.895  -5.841   8.649
  113   1HB   PRO  18          2HB       PRO  18   3.205  -6.199  10.125
  114   2HB   PRO  18          1HB       PRO  18   1.764  -7.211  10.243
  115   1HG   PRO  18          2HG       PRO  18   4.306  -7.693   8.755
  116   2HG   PRO  18          1HG       PRO  18   3.288  -8.843   9.644
  117   1HD   PRO  18          2HD       PRO  18   3.262  -8.690   6.955
  118   2HD   PRO  18          1HD       PRO  18   1.801  -9.074   7.890
  119    H    GLY  19           H        GLY  19   1.182  -3.727   8.738
  120   1HA   GLY  19          2HA       GLY  19   2.529  -1.770   8.915
  121   2HA   GLY  19          1HA       GLY  19   3.802  -2.607   8.037
  122    H    CYS  20           H        CYS  20   1.391  -3.546   6.208
  123    HA   CYS  20           HA       CYS  20   1.756  -1.284   4.407
  124   1HB   CYS  20          2HB       CYS  20   0.313  -3.882   3.915
  125   2HB   CYS  20          1HB       CYS  20   0.701  -2.664   2.713
  126    H    SER  21           H        SER  21   0.161  -0.035   3.587
  127    HA   SER  21           HA       SER  21  -2.529  -0.328   4.733
  128   1HB   SER  21          2HB       SER  21  -1.043   2.292   4.392
  129   2HB   SER  21          1HB       SER  21  -2.662   2.085   5.061
  130    HG   SER  21           HG       SER  21  -0.861   0.518   6.338
  131    H    CYS  22           H        CYS  22  -4.205   0.201   3.341
  132    HA   CYS  22           HA       CYS  22  -3.608   0.100   0.542
  133   1HB   CYS  22          2HB       CYS  22  -5.601  -0.963   1.720
  134   2HB   CYS  22          1HB       CYS  22  -6.298   0.649   1.812
  135    H    SER  23           H        SER  23  -2.346   2.289   1.434
  136    HA   SER  23           HA       SER  23  -3.957   4.663   0.966
  137   1HB   SER  23          2HB       SER  23  -0.977   4.469   1.500
  138   2HB   SER  23          1HB       SER  23  -2.017   5.884   1.701
  139    HG   SER  23           HG       SER  23  -2.882   5.022   3.491
  140    H    LYS  24           H        LYS  24  -3.203   2.590  -1.105
  141    HA   LYS  24           HA       LYS  24  -2.555   4.445  -3.230
  142   1HB   LYS  24          2HB       LYS  24  -0.772   2.122  -2.499
  143   2HB   LYS  24          1HB       LYS  24  -0.806   2.792  -4.123
  144   1HG   LYS  24          2HG       LYS  24  -0.166   4.375  -1.646
  145   2HG   LYS  24          1HG       LYS  24   1.039   3.650  -2.712
  146   1HD   LYS  24          2HD       LYS  24   0.362   5.029  -4.539
  147   2HD   LYS  24          1HD       LYS  24  -1.055   5.602  -3.657
  148   1HE   LYS  24          2HE       LYS  24   1.816   6.124  -2.891
  149   2HE   LYS  24          1HE       LYS  24   0.751   7.270  -3.707
  150   1HZ   LYS  24          1HZ       LYS  24  -0.625   6.414  -1.471
  151   2HZ   LYS  24          2HZ       LYS  24   0.102   7.927  -1.707
  152   3HZ   LYS  24          3HZ       LYS  24   0.961   6.688  -0.942
  153    H    TYR  25           H        TYR  25  -4.921   3.490  -2.945
  154    HA   TYR  25           HA       TYR  25  -5.783   1.028  -3.657
  155   1HB   TYR  25          2HB       TYR  25  -7.249   2.926  -3.105
  156   2HB   TYR  25          1HB       TYR  25  -6.883   3.669  -4.655
  157    HD1  TYR  25           1HD      TYR  25  -8.395   3.388  -6.368
  158    HD2  TYR  25           2HD      TYR  25  -8.231   0.455  -3.288
  159    HE1  TYR  25           1HE      TYR  25 -10.313   2.231  -7.377
  160    HE2  TYR  25           2HE      TYR  25 -10.147  -0.714  -4.294
  161    HH   TYR  25           HH       TYR  25 -12.118  -0.051  -5.808
  162    HA   PRO  26           HA       PRO  26  -6.529  -0.369  -4.455
  163   1HB   PRO  26          2HB       PRO  26  -6.719  -2.541  -5.997
  164   2HB   PRO  26          1HB       PRO  26  -7.719  -1.115  -6.291
  165   1HG   PRO  26          2HG       PRO  26  -5.435  -2.152  -7.840
  166   2HG   PRO  26          1HG       PRO  26  -6.750  -1.085  -8.356
  167   1HD   PRO  26          2HD       PRO  26  -4.069  -0.378  -7.505
  168   2HD   PRO  26          1HD       PRO  26  -5.337   0.677  -8.162
  169    H    LEU  27           H        LEU  27  -3.643  -0.012  -4.180
  170    HA   LEU  27           HA       LEU  27  -2.981  -2.769  -3.438
  171   1HB   LEU  27          2HB       LEU  27  -0.692  -2.525  -4.186
  172   2HB   LEU  27          1HB       LEU  27  -1.810  -2.311  -5.519
  173    HG   LEU  27           HG       LEU  27  -1.485   0.249  -4.851
  174   1HD1  LEU  27          1HD1      LEU  27   1.322  -0.535  -4.488
  175   2HD1  LEU  27          2HD1      LEU  27   0.265  -0.832  -3.108
  176   3HD1  LEU  27          3HD1      LEU  27   0.408   0.794  -3.775
  177   1HD2  LEU  27          1HD2      LEU  27  -0.854   0.162  -6.977
  178   2HD2  LEU  27          2HD2      LEU  27  -0.431  -1.543  -6.823
  179   3HD2  LEU  27          3HD2      LEU  27   0.761  -0.301  -6.440
  180    H    CYS  28           H        CYS  28  -1.530  -3.011  -1.695
  181    HA   CYS  28           HA       CYS  28  -1.712  -0.820   0.204
  182   1HB   CYS  28          2HB       CYS  28  -1.100  -3.739   0.404
  183   2HB   CYS  28          1HB       CYS  28  -0.560  -2.663   1.688
  184    H    ALA  29           H        ALA  29  -0.091   0.392   0.872
  185    HA   ALA  29           HA       ALA  29   2.563  -0.089  -0.274
  186   1HB   ALA  29          1HB       ALA  29   1.256   2.129  -0.554
  187   2HB   ALA  29          2HB       ALA  29   2.966   2.199  -0.131
  188   3HB   ALA  29          3HB       ALA  29   1.739   2.438   1.113
  189    H    LYS  30           H        LYS  30   4.257  -0.554   1.008
  190    HA   LYS  30           HA       LYS  30   3.766  -1.112   3.800
  191   1HB   LYS  30          2HB       LYS  30   5.107  -2.643   2.405
  192   2HB   LYS  30          1HB       LYS  30   6.287  -1.369   2.140
  193   1HG   LYS  30          2HG       LYS  30   6.925  -3.084   3.839
  194   2HG   LYS  30          1HG       LYS  30   6.974  -1.415   4.408
  195   1HD   LYS  30          2HD       LYS  30   5.042  -1.670   5.690
  196   2HD   LYS  30          1HD       LYS  30   4.539  -3.114   4.810
  197   1HE   LYS  30          2HE       LYS  30   7.074  -3.089   6.403
  198   2HE   LYS  30          1HE       LYS  30   5.519  -3.372   7.186
  199   1HZ   LYS  30          1HZ       LYS  30   5.349  -5.406   6.303
  200   2HZ   LYS  30          2HZ       LYS  30   7.027  -5.297   6.100
  201   3HZ   LYS  30          3HZ       LYS  30   5.993  -4.949   4.805
  202    H    ASN  31           H        ASN  31   3.491   0.779   4.842
  203    HA   ASN  31           HA       ASN  31   3.970   2.736   5.863
  204   1HB   ASN  31          2HB       ASN  31   6.851   1.940   5.360
  205   2HB   ASN  31          1HB       ASN  31   6.323   3.214   6.453
  206   1HD2  ASN  31          1HD2      ASN  31   7.597   0.346   6.545
  207   2HD2  ASN  31          2HD2      ASN  31   6.826  -0.336   7.930
  Start of MODEL    4
    1    H    GLY   1           H        GLY   1   3.436   2.594   3.411
    2   1HA   GLY   1          2HA       GLY   1   3.197   4.696   2.297
    3   2HA   GLY   1          1HA       GLY   1   4.786   5.149   2.886
    4    H    SER   2           H        SER   2   5.833   2.429   2.051
    5    HA   SER   2           HA       SER   2   6.296   3.188  -0.739
    6   1HB   SER   2          2HB       SER   2   7.771   1.183   0.979
    7   2HB   SER   2          1HB       SER   2   8.262   1.756  -0.615
    8    HG   SER   2           HG       SER   2   7.810   3.600   1.456
    9    H    ILE   3           H        ILE   3   4.941   2.300  -2.143
   10    HA   ILE   3           HA       ILE   3   3.458  -0.047  -1.737
   11    HB   ILE   3           HB       ILE   3   4.107   1.346  -4.340
   12   1HG1  ILE   3          2HG1      ILE   3   1.637   2.036  -4.067
   13   2HG1  ILE   3          1HG1      ILE   3   1.824   1.556  -2.385
   14   1HG2  ILE   3          1HG2      ILE   3   2.338   0.099  -5.362
   15   2HG2  ILE   3          2HG2      ILE   3   1.927  -0.668  -3.828
   16   3HG2  ILE   3          3HG2      ILE   3   3.459  -1.042  -4.617
   17   1HD1  ILE   3          1HD1      ILE   3   2.687   3.529  -1.908
   18   2HD1  ILE   3          2HD1      ILE   3   2.465   4.020  -3.588
   19   3HD1  ILE   3          3HD1      ILE   3   3.980   3.273  -3.080
   20    HA   PRO   4           HA       PRO   4   6.632  -2.231  -4.824
   21   1HB   PRO   4          2HB       PRO   4   9.045  -0.645  -4.102
   22   2HB   PRO   4          1HB       PRO   4   8.579  -1.343  -5.658
   23   1HG   PRO   4          2HG       PRO   4   8.354   1.269  -5.235
   24   2HG   PRO   4          1HG       PRO   4   7.108   0.389  -6.141
   25   1HD   PRO   4          2HD       PRO   4   7.065   1.369  -3.316
   26   2HD   PRO   4          1HD       PRO   4   5.763   1.346  -4.522
   27    H    ALA   5           H        ALA   5   7.609  -0.850  -1.738
   28    HA   ALA   5           HA       ALA   5   9.281  -2.997  -0.933
   29   1HB   ALA   5          1HB       ALA   5   8.667  -0.481   0.053
   30   2HB   ALA   5          2HB       ALA   5   9.743  -1.667   0.791
   31   3HB   ALA   5          3HB       ALA   5   8.049  -1.589   1.277
   32    H    CYS   6           H        CYS   6   5.853  -2.442  -0.836
   33    HA   CYS   6           HA       CYS   6   5.359  -4.559   1.065
   34   1HB   CYS   6          2HB       CYS   6   3.882  -2.580   0.959
   35   2HB   CYS   6          1HB       CYS   6   3.390  -3.058  -0.664
   36    H    GLY   7           H        GLY   7   4.454  -4.024  -2.343
   37   1HA   GLY   7          2HA       GLY   7   4.558  -5.578  -4.087
   38   2HA   GLY   7          1HA       GLY   7   4.945  -6.833  -2.918
   39    H    GLU   8           H        GLU   8   2.766  -6.353  -1.149
   40    HA   GLU   8           HA       GLU   8   0.787  -7.956  -2.348
   41   1HB   GLU   8          2HB       GLU   8   1.207  -7.935   0.074
   42   2HB   GLU   8          1HB       GLU   8   0.607  -6.284   0.165
   43   1HG   GLU   8          2HG       GLU   8  -1.589  -7.093  -0.655
   44   2HG   GLU   8          1HG       GLU   8  -0.966  -8.739  -0.578
   45    H    SER   9           H        SER   9  -1.154  -7.526  -3.218
   46    HA   SER   9           HA       SER   9  -1.705  -4.744  -3.923
   47   1HB   SER   9          2HB       SER   9  -2.979  -7.265  -5.014
   48   2HB   SER   9          1HB       SER   9  -3.093  -5.638  -5.688
   49    HG   SER   9           HG       SER   9  -0.510  -6.415  -5.361
   50    H    CYS  10           H        CYS  10  -3.495  -3.699  -3.224
   51    HA   CYS  10           HA       CYS  10  -5.068  -4.975  -1.142
   52   1HB   CYS  10          2HB       CYS  10  -4.199  -2.702  -0.770
   53   2HB   CYS  10          1HB       CYS  10  -5.078  -2.128  -2.179
   54    H    PHE  11           H        PHE  11  -6.275  -6.431  -2.371
   55    HA   PHE  11           HA       PHE  11  -7.757  -5.721  -4.650
   56   1HB   PHE  11          2HB       PHE  11  -9.118  -7.856  -3.924
   57   2HB   PHE  11          1HB       PHE  11  -7.475  -7.995  -4.534
   58    HD1  PHE  11           1HD      PHE  11  -9.389  -7.738  -1.342
   59    HD2  PHE  11           2HD      PHE  11  -5.890  -9.141  -3.315
   60    HE1  PHE  11           1HE      PHE  11  -8.725  -8.940   0.698
   61    HE2  PHE  11           2HE      PHE  11  -5.221 -10.347  -1.279
   62    HZ   PHE  11           HZ       PHE  11  -6.639 -10.247   0.731
   63    H    LYS  12           H        LYS  12  -8.701  -5.922  -1.234
   64    HA   LYS  12           HA       LYS  12 -10.486  -3.808  -1.297
   65   1HB   LYS  12          2HB       LYS  12 -12.675  -4.932  -1.233
   66   2HB   LYS  12          1HB       LYS  12 -11.881  -5.149  -2.785
   67   1HG   LYS  12          2HG       LYS  12 -11.202  -7.402  -2.125
   68   2HG   LYS  12          1HG       LYS  12 -12.001  -7.184  -0.567
   69   1HD   LYS  12          2HD       LYS  12 -14.146  -6.894  -1.707
   70   2HD   LYS  12          1HD       LYS  12 -13.348  -7.105  -3.266
   71   1HE   LYS  12          2HE       LYS  12 -12.681  -9.366  -2.619
   72   2HE   LYS  12          1HE       LYS  12 -13.468  -9.153  -1.055
   73   1HZ   LYS  12          1HZ       LYS  12 -15.563  -9.179  -2.020
   74   2HZ   LYS  12          2HZ       LYS  12 -14.735 -10.366  -2.895
   75   3HZ   LYS  12          3HZ       LYS  12 -14.980  -8.834  -3.571
   76    H    GLY  13           H        GLY  13 -11.417  -3.399   0.706
   77   1HA   GLY  13          2HA       GLY  13 -11.990  -3.827   2.923
   78   2HA   GLY  13          1HA       GLY  13 -11.251  -5.411   2.789
   79    H    LYS  14           H        LYS  14  -8.820  -5.450   2.761
   80    HA   LYS  14           HA       LYS  14  -7.375  -3.194   3.703
   81   1HB   LYS  14          2HB       LYS  14  -6.843  -4.287   5.968
   82   2HB   LYS  14          1HB       LYS  14  -8.388  -3.469   5.804
   83   1HG   LYS  14          2HG       LYS  14  -8.797  -5.483   6.978
   84   2HG   LYS  14          1HG       LYS  14  -9.421  -5.717   5.345
   85   1HD   LYS  14          2HD       LYS  14  -7.375  -6.928   4.749
   86   2HD   LYS  14          1HD       LYS  14  -6.771  -6.706   6.385
   87   1HE   LYS  14          2HE       LYS  14  -7.654  -8.885   6.339
   88   2HE   LYS  14          1HE       LYS  14  -8.871  -7.909   7.161
   89   1HZ   LYS  14          1HZ       LYS  14  -9.120  -9.434   4.790
   90   2HZ   LYS  14          2HZ       LYS  14  -9.475  -7.811   4.462
   91   3HZ   LYS  14          3HZ       LYS  14 -10.323  -8.632   5.672
   92    H    CYS  15           H        CYS  15  -5.142  -3.763   4.300
   93    HA   CYS  15           HA       CYS  15  -4.134  -5.850   2.576
   94   1HB   CYS  15          2HB       CYS  15  -2.625  -3.940   4.373
   95   2HB   CYS  15          1HB       CYS  15  -1.939  -4.929   3.086
   96    H    TYR  16           H        TYR  16  -2.728  -7.534   3.283
   97    HA   TYR  16           HA       TYR  16  -3.363  -8.404   6.015
   98   1HB   TYR  16          2HB       TYR  16  -2.503  -9.936   3.564
   99   2HB   TYR  16          1HB       TYR  16  -2.563 -10.662   5.169
  100    HD1  TYR  16           1HD      TYR  16  -4.745  -8.655   2.885
  101    HD2  TYR  16           2HD      TYR  16  -4.499 -11.767   5.773
  102    HE1  TYR  16           1HE      TYR  16  -7.149  -9.079   2.621
  103    HE2  TYR  16           2HE      TYR  16  -6.905 -12.206   5.510
  104    HH   TYR  16           HH       TYR  16  -8.663 -11.684   3.378
  105    H    THR  17           H        THR  17  -0.626  -8.001   3.801
  106    HA   THR  17           HA       THR  17   1.367  -8.939   5.544
  107    HB   THR  17           HB       THR  17   1.611  -6.858   3.361
  108    HG1  THR  17           1HG      THR  17   0.846  -8.848   2.569
  109   1HG2  THR  17          1HG2      THR  17   3.556  -8.025   5.203
  110   2HG2  THR  17          2HG2      THR  17   3.698  -6.614   4.154
  111   3HG2  THR  17          3HG2      THR  17   3.994  -8.228   3.506
  112    HA   PRO  18           HA       PRO  18   1.195  -5.839   8.746
  113   1HB   PRO  18          2HB       PRO  18   3.921  -6.895   9.267
  114   2HB   PRO  18          1HB       PRO  18   2.556  -6.709  10.373
  115   1HG   PRO  18          2HG       PRO  18   3.263  -9.114   9.455
  116   2HG   PRO  18          1HG       PRO  18   1.558  -8.682   9.687
  117   1HD   PRO  18          2HD       PRO  18   3.140  -8.870   7.164
  118   2HD   PRO  18          1HD       PRO  18   1.439  -9.276   7.464
  119    H    GLY  19           H        GLY  19   1.771  -3.772   8.729
  120   1HA   GLY  19          2HA       GLY  19   3.304  -1.978   8.554
  121   2HA   GLY  19          1HA       GLY  19   4.329  -2.989   7.547
  122    H    CYS  20           H        CYS  20   1.765  -3.781   6.027
  123    HA   CYS  20           HA       CYS  20   1.984  -1.567   4.153
  124   1HB   CYS  20          2HB       CYS  20   0.467  -4.157   3.893
  125   2HB   CYS  20          1HB       CYS  20   0.703  -2.965   2.626
  126    H    SER  21           H        SER  21   0.309  -0.358   3.396
  127    HA   SER  21           HA       SER  21  -2.264  -0.548   4.787
  128   1HB   SER  21          2HB       SER  21  -0.745   2.035   4.330
  129   2HB   SER  21          1HB       SER  21  -2.306   1.862   5.135
  130    HG   SER  21           HG       SER  21  -0.610   0.228   6.338
  131    H    CYS  22           H        CYS  22  -4.014  -0.041   3.515
  132    HA   CYS  22           HA       CYS  22  -3.624  -0.087   0.676
  133   1HB   CYS  22          2HB       CYS  22  -5.510  -1.205   1.981
  134   2HB   CYS  22          1HB       CYS  22  -6.222   0.394   2.142
  135    H    SER  23           H        SER  23  -2.307   2.067   1.323
  136    HA   SER  23           HA       SER  23  -3.966   4.441   1.266
  137   1HB   SER  23          2HB       SER  23  -0.946   4.213   1.149
  138   2HB   SER  23          1HB       SER  23  -1.892   5.646   1.566
  139    HG   SER  23           HG       SER  23  -2.385   4.786   3.490
  140    H    LYS  24           H        LYS  24  -2.896   2.334  -1.043
  141    HA   LYS  24           HA       LYS  24  -3.140   4.366  -3.136
  142   1HB   LYS  24          2HB       LYS  24  -0.910   2.324  -2.992
  143   2HB   LYS  24          1HB       LYS  24  -1.234   3.365  -4.370
  144   1HG   LYS  24          2HG       LYS  24  -0.546   4.374  -1.621
  145   2HG   LYS  24          1HG       LYS  24   0.628   4.127  -2.912
  146   1HD   LYS  24          2HD       LYS  24  -0.514   5.750  -4.305
  147   2HD   LYS  24          1HD       LYS  24  -1.777   5.940  -3.085
  148   1HE   LYS  24          2HE       LYS  24  -0.073   6.763  -1.499
  149   2HE   LYS  24          1HE       LYS  24   1.138   6.645  -2.776
  150   1HZ   LYS  24          1HZ       LYS  24   0.019   8.894  -2.347
  151   2HZ   LYS  24          2HZ       LYS  24  -1.308   8.243  -3.170
  152   3HZ   LYS  24          3HZ       LYS  24   0.187   8.378  -3.951
  153    H    TYR  25           H        TYR  25  -5.222   2.897  -2.616
  154    HA   TYR  25           HA       TYR  25  -5.571   0.325  -3.480
  155   1HB   TYR  25          2HB       TYR  25  -7.283   1.928  -2.478
  156   2HB   TYR  25          1HB       TYR  25  -7.521   2.549  -4.107
  157    HD1  TYR  25           1HD      TYR  25  -9.225   1.637  -5.380
  158    HD2  TYR  25           2HD      TYR  25  -7.523  -0.699  -2.259
  159    HE1  TYR  25           1HE      TYR  25 -10.897  -0.120  -5.791
  160    HE2  TYR  25           2HE      TYR  25  -9.184  -2.463  -2.666
  161    HH   TYR  25           HH       TYR  25 -10.656  -3.252  -4.373
  162    HA   PRO  26           HA       PRO  26  -6.323  -1.126  -4.435
  163   1HB   PRO  26          2HB       PRO  26  -6.173  -3.105  -6.213
  164   2HB   PRO  26          1HB       PRO  26  -7.492  -1.931  -6.263
  165   1HG   PRO  26          2HG       PRO  26  -5.126  -2.187  -8.030
  166   2HG   PRO  26          1HG       PRO  26  -6.740  -1.559  -8.395
  167   1HD   PRO  26          2HD       PRO  26  -4.391  -0.068  -7.752
  168   2HD   PRO  26          1HD       PRO  26  -6.030   0.556  -8.018
  169    H    LEU  27           H        LEU  27  -3.626  -0.092  -4.347
  170    HA   LEU  27           HA       LEU  27  -2.137  -2.623  -4.145
  171   1HB   LEU  27          2HB       LEU  27  -1.120   0.091  -4.968
  172   2HB   LEU  27          1HB       LEU  27  -0.076  -1.261  -4.559
  173    HG   LEU  27           HG       LEU  27  -2.157  -1.490  -6.685
  174   1HD1  LEU  27          1HD1      LEU  27   0.433  -0.072  -6.778
  175   2HD1  LEU  27          2HD1      LEU  27  -1.020   0.159  -7.751
  176   3HD1  LEU  27          3HD1      LEU  27   0.089  -1.160  -8.123
  177   1HD2  LEU  27          1HD2      LEU  27   0.032  -3.124  -5.639
  178   2HD2  LEU  27          2HD2      LEU  27  -0.036  -3.032  -7.398
  179   3HD2  LEU  27          3HD2      LEU  27  -1.436  -3.602  -6.490
  180    H    CYS  28           H        CYS  28  -0.851  -2.921  -2.390
  181    HA   CYS  28           HA       CYS  28  -1.477  -1.180  -0.126
  182   1HB   CYS  28          2HB       CYS  28  -0.245  -3.934  -0.285
  183   2HB   CYS  28          1HB       CYS  28  -0.403  -3.025   1.215
  184    H    ALA  29           H        ALA  29  -0.049   0.088   0.853
  185    HA   ALA  29           HA       ALA  29   2.669   0.143  -0.250
  186   1HB   ALA  29          1HB       ALA  29   2.439   2.352  -0.315
  187   2HB   ALA  29          2HB       ALA  29   2.092   2.397   1.414
  188   3HB   ALA  29          3HB       ALA  29   0.780   2.171   0.257
  189    H    LYS  30           H        LYS  30   4.271  -0.591   0.969
  190    HA   LYS  30           HA       LYS  30   3.845  -1.329   3.725
  191   1HB   LYS  30          2HB       LYS  30   5.241  -2.717   2.249
  192   2HB   LYS  30          1HB       LYS  30   6.336  -1.367   1.993
  193   1HG   LYS  30          2HG       LYS  30   7.487  -2.573   3.554
  194   2HG   LYS  30          1HG       LYS  30   6.587  -1.471   4.596
  195   1HD   LYS  30          2HD       LYS  30   6.461  -3.710   5.490
  196   2HD   LYS  30          1HD       LYS  30   4.869  -3.224   4.903
  197   1HE   LYS  30          2HE       LYS  30   5.424  -5.538   4.281
  198   2HE   LYS  30          1HE       LYS  30   5.191  -4.506   2.872
  199   1HZ   LYS  30          1HZ       LYS  30   7.264  -4.878   2.194
  200   2HZ   LYS  30          2HZ       LYS  30   7.337  -6.115   3.347
  201   3HZ   LYS  30          3HZ       LYS  30   7.917  -4.575   3.728
  202    H    ASN  31           H        ASN  31   3.705   0.299   5.098
  203    HA   ASN  31           HA       ASN  31   3.962   2.301   6.079
  204   1HB   ASN  31          2HB       ASN  31   6.253   2.856   6.852
  205   2HB   ASN  31          1HB       ASN  31   5.801   1.190   7.166
  206   1HD2  ASN  31          1HD2      ASN  31   7.972   3.305   5.572
  207   2HD2  ASN  31          2HD2      ASN  31   9.015   2.096   4.914
  Start of MODEL    5
    1    H    GLY   1           H        GLY   1   3.385   2.741   3.073
    2   1HA   GLY   1          2HA       GLY   1   3.387   4.724   1.738
    3   2HA   GLY   1          1HA       GLY   1   4.881   5.209   2.524
    4    H    SER   2           H        SER   2   6.032   2.484   2.187
    5    HA   SER   2           HA       SER   2   7.079   2.925  -0.472
    6   1HB   SER   2          2HB       SER   2   7.764   0.805   1.575
    7   2HB   SER   2          1HB       SER   2   8.672   1.149   0.103
    8    HG   SER   2           HG       SER   2   8.277   2.875   2.324
    9    H    ILE   3           H        ILE   3   5.713   2.304  -2.058
   10    HA   ILE   3           HA       ILE   3   3.972   0.097  -1.920
   11    HB   ILE   3           HB       ILE   3   4.936   1.743  -4.244
   12   1HG1  ILE   3          2HG1      ILE   3   2.411   2.228  -4.320
   13   2HG1  ILE   3          1HG1      ILE   3   2.342   1.475  -2.731
   14   1HG2  ILE   3          1HG2      ILE   3   4.596  -0.172  -5.440
   15   2HG2  ILE   3          2HG2      ILE   3   2.956   0.478  -5.431
   16   3HG2  ILE   3          3HG2      ILE   3   3.404  -0.805  -4.306
   17   1HD1  ILE   3          1HD1      ILE   3   2.892   3.399  -1.810
   18   2HD1  ILE   3          2HD1      ILE   3   2.993   4.143  -3.405
   19   3HD1  ILE   3          3HD1      ILE   3   4.421   3.394  -2.689
   20    HA   PRO   4           HA       PRO   4   7.128  -2.294  -4.781
   21   1HB   PRO   4          2HB       PRO   4   9.753  -1.501  -4.434
   22   2HB   PRO   4          1HB       PRO   4   8.730  -1.033  -5.795
   23   1HG   PRO   4          2HG       PRO   4   9.374   0.480  -3.299
   24   2HG   PRO   4          1HG       PRO   4   9.240   1.069  -4.966
   25   1HD   PRO   4          2HD       PRO   4   7.274   1.455  -3.190
   26   2HD   PRO   4          1HD       PRO   4   6.920   1.111  -4.895
   27    H    ALA   5           H        ALA   5   8.096  -1.005  -1.662
   28    HA   ALA   5           HA       ALA   5   9.476  -3.400  -0.861
   29   1HB   ALA   5          1HB       ALA   5   8.526  -1.403   1.132
   30   2HB   ALA   5          2HB       ALA   5   9.761  -0.917  -0.029
   31   3HB   ALA   5          3HB       ALA   5  10.054  -2.281   1.052
   32    H    CYS   6           H        CYS   6   6.248  -2.387  -1.002
   33    HA   CYS   6           HA       CYS   6   5.307  -3.998   1.189
   34   1HB   CYS   6          2HB       CYS   6   4.120  -1.955   0.631
   35   2HB   CYS   6          1HB       CYS   6   3.798  -2.559  -0.993
   36    H    GLY   7           H        GLY   7   4.466  -4.049  -2.283
   37   1HA   GLY   7          2HA       GLY   7   4.325  -5.884  -3.713
   38   2HA   GLY   7          1HA       GLY   7   4.794  -6.931  -2.379
   39    H    GLU   8           H        GLU   8   2.752  -5.842  -0.604
   40    HA   GLU   8           HA       GLU   8   0.674  -7.657  -1.100
   41   1HB   GLU   8          2HB       GLU   8   1.283  -6.917   1.145
   42   2HB   GLU   8          1HB       GLU   8   0.761  -5.282   0.764
   43   1HG   GLU   8          2HG       GLU   8  -0.918  -6.386   2.079
   44   2HG   GLU   8          1HG       GLU   8  -1.531  -6.112   0.447
   45    H    SER   9           H        SER   9  -1.394  -7.438  -1.768
   46    HA   SER   9           HA       SER   9  -2.024  -4.997  -3.273
   47   1HB   SER   9          2HB       SER   9  -3.249  -7.763  -3.455
   48   2HB   SER   9          1HB       SER   9  -3.644  -6.388  -4.488
   49    HG   SER   9           HG       SER   9  -0.985  -7.287  -4.261
   50    H    CYS  10           H        CYS  10  -4.031  -3.976  -2.986
   51    HA   CYS  10           HA       CYS  10  -5.160  -4.352  -0.335
   52   1HB   CYS  10          2HB       CYS  10  -4.626  -2.083  -1.157
   53   2HB   CYS  10          1HB       CYS  10  -5.780  -2.288  -2.466
   54    H    PHE  11           H        PHE  11  -5.944  -4.765  -3.690
   55    HA   PHE  11           HA       PHE  11  -7.582  -5.826  -4.820
   56   1HB   PHE  11          2HB       PHE  11  -6.958  -7.705  -3.353
   57   2HB   PHE  11          1HB       PHE  11  -8.132  -7.162  -2.161
   58    HD1  PHE  11           1HD      PHE  11  -8.312  -7.581  -5.867
   59    HD2  PHE  11           2HD      PHE  11  -9.855  -8.674  -2.053
   60    HE1  PHE  11           1HE      PHE  11 -10.049  -8.936  -6.962
   61    HE2  PHE  11           2HE      PHE  11 -11.594 -10.031  -3.141
   62    HZ   PHE  11           HZ       PHE  11 -11.693 -10.164  -5.599
   63    H    LYS  12           H        LYS  12  -9.302  -5.757  -1.733
   64    HA   LYS  12           HA       LYS  12 -10.846  -3.475  -2.163
   65   1HB   LYS  12          2HB       LYS  12 -11.623  -5.130  -4.054
   66   2HB   LYS  12          1HB       LYS  12 -12.509  -5.902  -2.747
   67   1HG   LYS  12          2HG       LYS  12 -13.744  -3.895  -2.316
   68   2HG   LYS  12          1HG       LYS  12 -12.760  -2.994  -3.473
   69   1HD   LYS  12          2HD       LYS  12 -13.574  -4.705  -5.200
   70   2HD   LYS  12          1HD       LYS  12 -14.796  -5.134  -4.002
   71   1HE   LYS  12          2HE       LYS  12 -15.677  -3.497  -5.567
   72   2HE   LYS  12          1HE       LYS  12 -15.552  -2.804  -3.950
   73   1HZ   LYS  12          1HZ       LYS  12 -14.303  -1.195  -4.784
   74   2HZ   LYS  12          2HZ       LYS  12 -14.404  -1.871  -6.329
   75   3HZ   LYS  12          3HZ       LYS  12 -13.141  -2.318  -5.293
   76    H    GLY  13           H        GLY  13  -9.592  -4.452   0.044
   77   1HA   GLY  13          2HA       GLY  13 -11.764  -4.616   1.894
   78   2HA   GLY  13          1HA       GLY  13 -10.946  -6.160   1.730
   79    H    LYS  14           H        LYS  14  -8.475  -6.021   2.009
   80    HA   LYS  14           HA       LYS  14  -7.412  -3.879   3.535
   81   1HB   LYS  14          2HB       LYS  14  -7.068  -5.345   5.629
   82   2HB   LYS  14          1HB       LYS  14  -8.634  -4.588   5.395
   83   1HG   LYS  14          2HG       LYS  14  -9.061  -6.786   6.132
   84   2HG   LYS  14          1HG       LYS  14  -9.419  -6.773   4.406
   85   1HD   LYS  14          2HD       LYS  14  -7.275  -7.804   3.928
   86   2HD   LYS  14          1HD       LYS  14  -6.843  -7.745   5.632
   87   1HE   LYS  14          2HE       LYS  14  -7.553  -9.965   5.178
   88   2HE   LYS  14          1HE       LYS  14  -8.852  -9.190   6.085
   89   1HZ   LYS  14          1HZ       LYS  14  -8.816 -10.152   3.344
   90   2HZ   LYS  14          2HZ       LYS  14  -9.592  -8.663   3.578
   91   3HZ   LYS  14          3HZ       LYS  14 -10.107 -10.026   4.437
   92    H    CYS  15           H        CYS  15  -5.210  -4.203   4.122
   93    HA   CYS  15           HA       CYS  15  -3.803  -5.926   2.302
   94   1HB   CYS  15          2HB       CYS  15  -2.616  -4.274   4.537
   95   2HB   CYS  15          1HB       CYS  15  -1.829  -4.811   3.056
   96    H    TYR  16           H        TYR  16  -2.699  -7.801   2.799
   97    HA   TYR  16           HA       TYR  16  -3.274  -8.954   5.408
   98   1HB   TYR  16          2HB       TYR  16  -2.080 -10.162   2.905
   99   2HB   TYR  16          1HB       TYR  16  -2.351 -11.053   4.400
  100    HD1  TYR  16           1HD      TYR  16  -4.199  -8.946   1.925
  101    HD2  TYR  16           2HD      TYR  16  -4.353 -12.184   4.680
  102    HE1  TYR  16           1HE      TYR  16  -6.514  -9.405   1.245
  103    HE2  TYR  16           2HE      TYR  16  -6.669 -12.655   4.002
  104    HH   TYR  16           HH       TYR  16  -8.041 -11.838   1.410
  105    H    THR  17           H        THR  17  -0.477  -8.215   3.371
  106    HA   THR  17           HA       THR  17   1.501  -9.126   5.143
  107    HB   THR  17           HB       THR  17   1.702  -6.956   3.046
  108    HG1  THR  17           1HG      THR  17   1.003  -9.016   2.236
  109   1HG2  THR  17          1HG2      THR  17   3.992  -7.041   3.208
  110   2HG2  THR  17          2HG2      THR  17   3.995  -8.680   3.859
  111   3HG2  THR  17          3HG2      THR  17   3.558  -7.320   4.894
  112    HA   PRO  18           HA       PRO  18   1.040  -6.119   8.427
  113   1HB   PRO  18          2HB       PRO  18   3.722  -7.201   9.103
  114   2HB   PRO  18          1HB       PRO  18   2.286  -7.041  10.117
  115   1HG   PRO  18          2HG       PRO  18   3.044  -9.422   9.186
  116   2HG   PRO  18          1HG       PRO  18   1.329  -8.986   9.302
  117   1HD   PRO  18          2HD       PRO  18   3.101  -9.099   6.901
  118   2HD   PRO  18          1HD       PRO  18   1.385  -9.526   7.059
  119    H    GLY  19           H        GLY  19   1.643  -4.055   8.540
  120   1HA   GLY  19          2HA       GLY  19   3.242  -2.294   8.523
  121   2HA   GLY  19          1HA       GLY  19   4.253  -3.268   7.464
  122    H    CYS  20           H        CYS  20   1.724  -3.930   5.862
  123    HA   CYS  20           HA       CYS  20   1.966  -1.582   4.160
  124   1HB   CYS  20          2HB       CYS  20   0.648  -4.244   3.725
  125   2HB   CYS  20          1HB       CYS  20   0.559  -2.922   2.576
  126    H    SER  21           H        SER  21   0.298  -0.369   3.427
  127    HA   SER  21           HA       SER  21  -2.313  -0.644   4.728
  128   1HB   SER  21          2HB       SER  21  -0.791   1.968   4.489
  129   2HB   SER  21          1HB       SER  21  -2.381   1.743   5.221
  130    HG   SER  21           HG       SER  21  -0.733   0.043   6.391
  131    H    CYS  22           H        CYS  22  -4.044   0.177   3.465
  132    HA   CYS  22           HA       CYS  22  -3.582   0.103   0.642
  133   1HB   CYS  22          2HB       CYS  22  -5.647  -0.748   1.888
  134   2HB   CYS  22          1HB       CYS  22  -6.147   0.933   2.005
  135    H    SER  23           H        SER  23  -1.999   1.975   0.985
  136    HA   SER  23           HA       SER  23  -2.885   4.597   1.417
  137   1HB   SER  23          2HB       SER  23  -0.489   3.672  -0.186
  138   2HB   SER  23          1HB       SER  23  -0.722   5.273   0.518
  139    HG   SER  23           HG       SER  23  -0.439   4.460   2.512
  140    H    LYS  24           H        LYS  24  -2.829   2.625  -1.490
  141    HA   LYS  24           HA       LYS  24  -4.518   4.566  -2.775
  142   1HB   LYS  24          2HB       LYS  24  -3.161   4.809  -4.797
  143   2HB   LYS  24          1HB       LYS  24  -2.333   5.450  -3.387
  144   1HG   LYS  24          2HG       LYS  24  -0.834   3.626  -3.320
  145   2HG   LYS  24          1HG       LYS  24  -1.796   2.701  -4.475
  146   1HD   LYS  24          2HD       LYS  24  -0.209   5.210  -5.010
  147   2HD   LYS  24          1HD       LYS  24   0.121   3.587  -5.618
  148   1HE   LYS  24          2HE       LYS  24  -2.237   5.340  -6.304
  149   2HE   LYS  24          1HE       LYS  24  -0.896   4.912  -7.364
  150   1HZ   LYS  24          1HZ       LYS  24  -2.335   3.344  -8.051
  151   2HZ   LYS  24          2HZ       LYS  24  -3.239   3.362  -6.621
  152   3HZ   LYS  24          3HZ       LYS  24  -1.788   2.497  -6.692
  153    H    TYR  25           H        TYR  25  -6.110   3.385  -3.361
  154    HA   TYR  25           HA       TYR  25  -6.215   0.642  -3.714
  155   1HB   TYR  25          2HB       TYR  25  -8.100   2.315  -3.372
  156   2HB   TYR  25          1HB       TYR  25  -7.997   2.655  -5.094
  157    HD1  TYR  25           1HD      TYR  25  -9.415   1.511  -6.507
  158    HD2  TYR  25           2HD      TYR  25  -8.372  -0.255  -2.779
  159    HE1  TYR  25           1HE      TYR  25 -10.974  -0.338  -6.953
  160    HE2  TYR  25           2HE      TYR  25  -9.923  -2.110  -3.218
  161    HH   TYR  25           HH       TYR  25 -10.920  -3.215  -5.285
  162    HA   PRO  26           HA       PRO  26  -6.744  -0.941  -4.508
  163   1HB   PRO  26          2HB       PRO  26  -6.692  -3.102  -6.069
  164   2HB   PRO  26          1HB       PRO  26  -7.841  -1.794  -6.376
  165   1HG   PRO  26          2HG       PRO  26  -5.453  -2.579  -7.911
  166   2HG   PRO  26          1HG       PRO  26  -6.852  -1.625  -8.426
  167   1HD   PRO  26          2HD       PRO  26  -4.251  -0.701  -7.468
  168   2HD   PRO  26          1HD       PRO  26  -5.561   0.235  -8.221
  169    H    LEU  27           H        LEU  27  -3.837  -0.210  -4.523
  170    HA   LEU  27           HA       LEU  27  -2.766  -2.853  -3.799
  171   1HB   LEU  27          2HB       LEU  27  -0.521  -2.063  -4.481
  172   2HB   LEU  27          1HB       LEU  27  -1.651  -2.232  -5.810
  173    HG   LEU  27           HG       LEU  27  -1.365   0.457  -4.574
  174   1HD1  LEU  27          1HD1      LEU  27   0.950  -0.532  -4.895
  175   2HD1  LEU  27          2HD1      LEU  27   0.618   0.984  -5.734
  176   3HD1  LEU  27          3HD1      LEU  27   0.594  -0.540  -6.622
  177   1HD2  LEU  27          1HD2      LEU  27  -1.716  -0.545  -7.396
  178   2HD2  LEU  27          2HD2      LEU  27  -1.681   1.150  -6.910
  179   3HD2  LEU  27          3HD2      LEU  27  -2.983   0.099  -6.351
  180    H    CYS  28           H        CYS  28  -1.111  -2.862  -2.148
  181    HA   CYS  28           HA       CYS  28  -1.610  -0.731  -0.206
  182   1HB   CYS  28          2HB       CYS  28  -0.540  -3.533   0.140
  183   2HB   CYS  28          1HB       CYS  28  -0.738  -2.369   1.445
  184    H    ALA  29           H        ALA  29   0.076   0.169   1.004
  185    HA   ALA  29           HA       ALA  29   2.728  -0.010  -0.268
  186   1HB   ALA  29          1HB       ALA  29   1.959   2.152  -0.744
  187   2HB   ALA  29          2HB       ALA  29   2.991   2.362   0.671
  188   3HB   ALA  29          3HB       ALA  29   1.238   2.344   0.853
  189    H    LYS  30           H        LYS  30   4.418  -0.463   1.037
  190    HA   LYS  30           HA       LYS  30   3.893  -1.243   3.760
  191   1HB   LYS  30          2HB       LYS  30   5.401  -2.548   2.304
  192   2HB   LYS  30          1HB       LYS  30   6.482  -1.169   2.186
  193   1HG   LYS  30          2HG       LYS  30   7.505  -2.538   3.749
  194   2HG   LYS  30          1HG       LYS  30   6.660  -1.349   4.742
  195   1HD   LYS  30          2HD       LYS  30   6.348  -3.576   5.655
  196   2HD   LYS  30          1HD       LYS  30   4.815  -2.948   5.051
  197   1HE   LYS  30          2HE       LYS  30   5.127  -5.299   4.444
  198   2HE   LYS  30          1HE       LYS  30   5.053  -4.265   3.019
  199   1HZ   LYS  30          1HZ       LYS  30   7.715  -4.746   4.052
  200   2HZ   LYS  30          2HZ       LYS  30   7.155  -4.755   2.453
  201   3HZ   LYS  30          3HZ       LYS  30   6.933  -6.114   3.438
  202    H    ASN  31           H        ASN  31   3.303   0.686   4.699
  203    HA   ASN  31           HA       ASN  31   3.545   2.634   5.811
  204   1HB   ASN  31          2HB       ASN  31   5.515   1.175   6.763
  205   2HB   ASN  31          1HB       ASN  31   6.532   2.288   5.856
  206   1HD2  ASN  31          1HD2      ASN  31   5.329   1.697   8.802
  207   2HD2  ASN  31          2HD2      ASN  31   5.301   3.294   9.454
  Start of MODEL    6
    1    H    GLY   1           H        GLY   1   3.336   3.135   2.661
    2   1HA   GLY   1          2HA       GLY   1   3.277   4.964   1.058
    3   2HA   GLY   1          1HA       GLY   1   4.769   5.557   1.774
    4    H    SER   2           H        SER   2   5.871   2.812   1.933
    5    HA   SER   2           HA       SER   2   7.009   2.755  -0.721
    6   1HB   SER   2          2HB       SER   2   7.553   0.927   1.628
    7   2HB   SER   2          1HB       SER   2   8.560   1.127   0.193
    8    HG   SER   2           HG       SER   2   8.189   2.844   2.374
    9    H    ILE   3           H        ILE   3   5.437   2.001  -2.129
   10    HA   ILE   3           HA       ILE   3   3.786  -0.237  -1.670
   11    HB   ILE   3           HB       ILE   3   4.626   1.072  -4.256
   12   1HG1  ILE   3          2HG1      ILE   3   2.086   1.615  -4.200
   13   2HG1  ILE   3          1HG1      ILE   3   2.195   1.211  -2.492
   14   1HG2  ILE   3          1HG2      ILE   3   4.136  -1.296  -4.663
   15   2HG2  ILE   3          2HG2      ILE   3   2.930  -0.237  -5.395
   16   3HG2  ILE   3          3HG2      ILE   3   2.559  -1.094  -3.899
   17   1HD1  ILE   3          1HD1      ILE   3   4.298   3.005  -3.099
   18   2HD1  ILE   3          2HD1      ILE   3   2.894   3.252  -2.060
   19   3HD1  ILE   3          3HD1      ILE   3   2.803   3.651  -3.776
   20    HA   PRO   4           HA       PRO   4   7.030  -2.660  -4.571
   21   1HB   PRO   4          2HB       PRO   4   9.437  -1.235  -3.530
   22   2HB   PRO   4          1HB       PRO   4   9.146  -1.942  -5.124
   23   1HG   PRO   4          2HG       PRO   4   9.000   0.680  -4.790
   24   2HG   PRO   4          1HG       PRO   4   7.821  -0.160  -5.816
   25   1HD   PRO   4          2HD       PRO   4   7.501   0.921  -3.052
   26   2HD   PRO   4          1HD       PRO   4   6.339   0.886  -4.392
   27    H    ALA   5           H        ALA   5   7.642  -1.539  -1.297
   28    HA   ALA   5           HA       ALA   5   9.225  -3.694  -0.431
   29   1HB   ALA   5          1HB       ALA   5   8.323  -1.354   0.686
   30   2HB   ALA   5          2HB       ALA   5   9.247  -2.606   1.516
   31   3HB   ALA   5          3HB       ALA   5   7.488  -2.589   1.627
   32    H    CYS   6           H        CYS   6   5.710  -3.161  -0.147
   33    HA   CYS   6           HA       CYS   6   5.306  -5.807   0.931
   34   1HB   CYS   6          2HB       CYS   6   3.099  -4.045  -0.091
   35   2HB   CYS   6          1HB       CYS   6   3.065  -5.205   1.233
   36    H    GLY   7           H        GLY   7   4.483  -4.110  -2.084
   37   1HA   GLY   7          2HA       GLY   7   4.006  -4.891  -4.192
   38   2HA   GLY   7          1HA       GLY   7   4.887  -6.348  -3.748
   39    H    GLU   8           H        GLU   8   2.115  -5.237  -1.971
   40    HA   GLU   8           HA       GLU   8   0.667  -7.645  -2.788
   41   1HB   GLU   8          2HB       GLU   8   1.158  -7.277  -0.371
   42   2HB   GLU   8          1HB       GLU   8   0.162  -5.830  -0.428
   43   1HG   GLU   8          2HG       GLU   8  -1.754  -7.258  -1.118
   44   2HG   GLU   8          1HG       GLU   8  -0.730  -8.670  -0.851
   45    H    SER   9           H        SER   9  -1.355  -7.574  -3.626
   46    HA   SER   9           HA       SER   9  -2.266  -5.001  -4.629
   47   1HB   SER   9          2HB       SER   9  -3.424  -7.755  -5.127
   48   2HB   SER   9          1HB       SER   9  -3.739  -6.286  -6.053
   49    HG   SER   9           HG       SER   9  -1.090  -6.773  -5.914
   50    H    CYS  10           H        CYS  10  -3.841  -3.887  -3.678
   51    HA   CYS  10           HA       CYS  10  -5.218  -5.058  -1.404
   52   1HB   CYS  10          2HB       CYS  10  -4.280  -2.871  -1.060
   53   2HB   CYS  10          1HB       CYS  10  -5.087  -2.243  -2.492
   54    H    PHE  11           H        PHE  11  -7.236  -5.771  -1.456
   55    HA   PHE  11           HA       PHE  11  -9.107  -4.754  -3.437
   56   1HB   PHE  11          2HB       PHE  11  -9.772  -7.232  -3.886
   57   2HB   PHE  11          1HB       PHE  11  -8.393  -6.547  -4.736
   58    HD1  PHE  11           1HD      PHE  11  -6.717  -8.060  -5.033
   59    HD2  PHE  11           2HD      PHE  11  -8.893  -8.137  -1.376
   60    HE1  PHE  11           1HE      PHE  11  -5.293  -9.896  -4.230
   61    HE2  PHE  11           2HE      PHE  11  -7.470  -9.973  -0.566
   62    HZ   PHE  11           HZ       PHE  11  -5.668 -10.855  -1.993
   63    H    LYS  12           H        LYS  12  -8.928  -4.404  -0.651
   64    HA   LYS  12           HA       LYS  12 -11.580  -4.894   0.132
   65   1HB   LYS  12          2HB       LYS  12 -11.222  -6.504   1.965
   66   2HB   LYS  12          1HB       LYS  12 -10.864  -7.217   0.398
   67   1HG   LYS  12          2HG       LYS  12  -8.480  -6.921   0.790
   68   2HG   LYS  12          1HG       LYS  12  -8.821  -6.161   2.345
   69   1HD   LYS  12          2HD       LYS  12  -8.200  -8.465   2.700
   70   2HD   LYS  12          1HD       LYS  12  -9.909  -8.258   3.084
   71   1HE   LYS  12          2HE       LYS  12 -10.518  -9.171   0.906
   72   2HE   LYS  12          1HE       LYS  12  -8.812  -9.346   0.492
   73   1HZ   LYS  12          1HZ       LYS  12  -8.534 -11.067   1.992
   74   2HZ   LYS  12          2HZ       LYS  12 -10.084 -11.373   1.376
   75   3HZ   LYS  12          3HZ       LYS  12  -9.908 -10.654   2.895
   76    H    GLY  13           H        GLY  13  -8.942  -3.153   0.253
   77   1HA   GLY  13          2HA       GLY  13  -8.405  -1.302   1.525
   78   2HA   GLY  13          1HA       GLY  13  -9.730  -1.708   2.607
   79    H    LYS  14           H        LYS  14  -8.709  -4.439   2.997
   80    HA   LYS  14           HA       LYS  14  -6.772  -3.816   5.074
   81   1HB   LYS  14          2HB       LYS  14  -8.044  -6.494   4.516
   82   2HB   LYS  14          1HB       LYS  14  -7.312  -5.937   6.013
   83   1HG   LYS  14          2HG       LYS  14  -9.912  -5.043   4.802
   84   2HG   LYS  14          1HG       LYS  14  -9.666  -5.928   6.309
   85   1HD   LYS  14          2HD       LYS  14  -8.524  -4.009   7.268
   86   2HD   LYS  14          1HD       LYS  14  -8.706  -3.125   5.754
   87   1HE   LYS  14          2HE       LYS  14 -10.964  -4.111   7.495
   88   2HE   LYS  14          1HE       LYS  14 -10.394  -2.446   7.394
   89   1HZ   LYS  14          1HZ       LYS  14 -12.354  -3.565   5.864
   90   2HZ   LYS  14          2HZ       LYS  14 -11.021  -3.545   4.822
   91   3HZ   LYS  14          3HZ       LYS  14 -11.555  -2.109   5.541
   92    H    CYS  15           H        CYS  15  -4.720  -4.522   5.084
   93    HA   CYS  15           HA       CYS  15  -3.804  -5.980   2.702
   94   1HB   CYS  15          2HB       CYS  15  -2.218  -4.174   4.541
   95   2HB   CYS  15          1HB       CYS  15  -1.602  -4.976   3.098
   96    H    TYR  16           H        TYR  16  -2.545  -7.772   2.918
   97    HA   TYR  16           HA       TYR  16  -2.762  -9.166   5.430
   98   1HB   TYR  16          2HB       TYR  16  -1.564  -9.913   2.759
   99   2HB   TYR  16          1HB       TYR  16  -1.536 -10.985   4.152
  100    HD1  TYR  16           1HD      TYR  16  -2.975 -12.741   3.689
  101    HD2  TYR  16           2HD      TYR  16  -4.251  -8.776   2.818
  102    HE1  TYR  16           1HE      TYR  16  -5.200 -13.593   3.085
  103    HE2  TYR  16           2HE      TYR  16  -6.481  -9.617   2.216
  104    HH   TYR  16           HH       TYR  16  -7.173 -13.095   2.164
  105    H    THR  17           H        THR  17  -0.219  -7.726   3.486
  106    HA   THR  17           HA       THR  17   1.966  -8.598   5.028
  107    HB   THR  17           HB       THR  17   3.008  -6.397   3.986
  108    HG1  THR  17           1HG      THR  17   0.719  -6.853   2.326
  109   1HG2  THR  17          1HG2      THR  17   2.145  -8.740   2.286
  110   2HG2  THR  17          2HG2      THR  17   3.554  -8.714   3.346
  111   3HG2  THR  17          3HG2      THR  17   3.482  -7.640   1.950
  112    HA   PRO  18           HA       PRO  18   1.157  -6.279   8.744
  113   1HB   PRO  18          2HB       PRO  18   3.702  -6.700   9.779
  114   2HB   PRO  18          1HB       PRO  18   2.305  -7.754  10.004
  115   1HG   PRO  18          2HG       PRO  18   4.576  -7.994   8.088
  116   2HG   PRO  18          1HG       PRO  18   3.700  -9.267   8.958
  117   1HD   PRO  18          2HD       PRO  18   3.267  -8.777   6.350
  118   2HD   PRO  18          1HD       PRO  18   1.955  -9.276   7.438
  119    H    GLY  19           H        GLY  19   1.222  -4.194   8.987
  120   1HA   GLY  19          2HA       GLY  19   2.225  -2.108   9.325
  121   2HA   GLY  19          1HA       GLY  19   3.702  -2.725   8.603
  122    H    CYS  20           H        CYS  20   1.641  -3.721   6.385
  123    HA   CYS  20           HA       CYS  20   2.044  -1.318   4.790
  124   1HB   CYS  20          2HB       CYS  20   0.935  -4.005   3.965
  125   2HB   CYS  20          1HB       CYS  20   1.368  -2.687   2.886
  126    H    SER  21           H        SER  21   0.379  -0.188   3.779
  127    HA   SER  21           HA       SER  21  -2.329  -0.783   4.754
  128   1HB   SER  21          2HB       SER  21  -1.315   1.022   6.116
  129   2HB   SER  21          1HB       SER  21  -1.059   1.965   4.648
  130    HG   SER  21           HG       SER  21  -3.197   1.931   6.157
  131    H    CYS  22           H        CYS  22  -4.018  -0.176   3.422
  132    HA   CYS  22           HA       CYS  22  -3.419  -0.096   0.607
  133   1HB   CYS  22          2HB       CYS  22  -5.301  -1.412   1.640
  134   2HB   CYS  22          1HB       CYS  22  -6.105   0.113   1.990
  135    H    SER  23           H        SER  23  -2.292   2.083   1.549
  136    HA   SER  23           HA       SER  23  -3.925   4.394   1.699
  137   1HB   SER  23          2HB       SER  23  -0.973   4.257   1.039
  138   2HB   SER  23          1HB       SER  23  -1.852   5.608   1.762
  139    HG   SER  23           HG       SER  23  -2.376   3.790   3.412
  140    H    LYS  24           H        LYS  24  -2.644   2.567  -0.917
  141    HA   LYS  24           HA       LYS  24  -3.616   4.613  -2.783
  142   1HB   LYS  24          2HB       LYS  24  -1.139   2.938  -3.211
  143   2HB   LYS  24          1HB       LYS  24  -1.771   4.164  -4.298
  144   1HG   LYS  24          2HG       LYS  24  -1.401   5.833  -2.451
  145   2HG   LYS  24          1HG       LYS  24  -0.533   4.563  -1.590
  146   1HD   LYS  24          2HD       LYS  24   1.028   5.976  -2.801
  147   2HD   LYS  24          1HD       LYS  24   1.016   4.349  -3.482
  148   1HE   LYS  24          2HE       LYS  24  -0.473   5.113  -5.270
  149   2HE   LYS  24          1HE       LYS  24  -0.459   6.738  -4.588
  150   1HZ   LYS  24          1HZ       LYS  24   1.534   5.391  -6.187
  151   2HZ   LYS  24          2HZ       LYS  24   2.160   6.232  -4.861
  152   3HZ   LYS  24          3HZ       LYS  24   1.224   7.045  -6.011
  153    H    TYR  25           H        TYR  25  -5.521   3.183  -2.601
  154    HA   TYR  25           HA       TYR  25  -5.636   0.519  -3.377
  155   1HB   TYR  25          2HB       TYR  25  -7.500   1.950  -2.413
  156   2HB   TYR  25          1HB       TYR  25  -7.724   2.613  -4.026
  157    HD1  TYR  25           1HD      TYR  25  -7.530  -0.714  -2.332
  158    HD2  TYR  25           2HD      TYR  25  -9.352   1.657  -5.357
  159    HE1  TYR  25           1HE      TYR  25  -9.041  -2.576  -2.872
  160    HE2  TYR  25           2HE      TYR  25 -10.870  -0.200  -5.905
  161    HH   TYR  25           HH       TYR  25 -10.542  -3.033  -5.471
  162    HA   PRO  26           HA       PRO  26  -6.336  -0.957  -4.385
  163   1HB   PRO  26          2HB       PRO  26  -6.229  -2.864  -6.251
  164   2HB   PRO  26          1HB       PRO  26  -7.548  -1.690  -6.207
  165   1HG   PRO  26          2HG       PRO  26  -5.295  -1.909  -8.098
  166   2HG   PRO  26          1HG       PRO  26  -6.875  -1.143  -8.316
  167   1HD   PRO  26          2HD       PRO  26  -4.356   0.090  -7.616
  168   2HD   PRO  26          1HD       PRO  26  -5.918   0.872  -7.933
  169    H    LEU  27           H        LEU  27  -3.670  -0.038  -4.084
  170    HA   LEU  27           HA       LEU  27  -2.312  -2.620  -3.956
  171   1HB   LEU  27          2HB       LEU  27  -0.136  -1.447  -4.552
  172   2HB   LEU  27          1HB       LEU  27  -1.243  -1.814  -5.859
  173    HG   LEU  27           HG       LEU  27  -1.394   0.886  -4.627
  174   1HD1  LEU  27          1HD1      LEU  27   0.529   1.703  -5.516
  175   2HD1  LEU  27          2HD1      LEU  27   0.536   0.540  -6.841
  176   3HD1  LEU  27          3HD1      LEU  27   1.070   0.048  -5.235
  177   1HD2  LEU  27          1HD2      LEU  27  -2.982   0.385  -6.338
  178   2HD2  LEU  27          2HD2      LEU  27  -1.723  -0.248  -7.400
  179   3HD2  LEU  27          3HD2      LEU  27  -1.784   1.477  -7.033
  180    H    CYS  28           H        CYS  28  -1.035  -2.945  -2.202
  181    HA   CYS  28           HA       CYS  28  -1.419  -1.057  -0.028
  182   1HB   CYS  28          2HB       CYS  28  -0.297  -3.861  -0.110
  183   2HB   CYS  28          1HB       CYS  28  -0.408  -2.895   1.357
  184    H    ALA  29           H        ALA  29   0.128   0.087   0.978
  185    HA   ALA  29           HA       ALA  29   2.865  -0.125  -0.089
  186   1HB   ALA  29          1HB       ALA  29   2.864   2.405   0.630
  187   2HB   ALA  29          2HB       ALA  29   1.122   2.235   0.403
  188   3HB   ALA  29          3HB       ALA  29   2.224   1.900  -0.934
  189    H    LYS  30           H        LYS  30   4.507  -0.202   1.322
  190    HA   LYS  30           HA       LYS  30   3.936  -0.577   4.126
  191   1HB   LYS  30          2HB       LYS  30   5.611  -1.967   2.971
  192   2HB   LYS  30          1HB       LYS  30   6.564  -0.534   2.615
  193   1HG   LYS  30          2HG       LYS  30   7.555  -1.698   4.454
  194   2HG   LYS  30          1HG       LYS  30   6.867  -0.185   5.044
  195   1HD   LYS  30          2HD       LYS  30   4.920  -1.375   5.881
  196   2HD   LYS  30          1HD       LYS  30   5.550  -2.893   5.235
  197   1HE   LYS  30          2HE       LYS  30   7.498  -2.701   6.707
  198   2HE   LYS  30          1HE       LYS  30   6.854  -1.195   7.358
  199   1HZ   LYS  30          1HZ       LYS  30   5.191  -3.614   7.456
  200   2HZ   LYS  30          2HZ       LYS  30   5.221  -2.281   8.499
  201   3HZ   LYS  30          3HZ       LYS  30   6.449  -3.438   8.575
  202    H    ASN  31           H        ASN  31   3.146   1.474   4.666
  203    HA   ASN  31           HA       ASN  31   3.228   3.605   5.428
  204   1HB   ASN  31          2HB       ASN  31   6.189   3.013   5.715
  205   2HB   ASN  31          1HB       ASN  31   5.370   4.408   6.410
  206   1HD2  ASN  31          1HD2      ASN  31   4.728   4.218   8.424
  207   2HD2  ASN  31          2HD2      ASN  31   4.460   2.740   9.274
  Start of MODEL    7
    1    H    GLY   1           H        GLY   1   3.331   3.236   2.615
    2   1HA   GLY   1          2HA       GLY   1   3.315   5.169   1.065
    3   2HA   GLY   1          1HA       GLY   1   4.903   5.565   1.703
    4    H    SER   2           H        SER   2   5.931   2.898   1.724
    5    HA   SER   2           HA       SER   2   6.734   2.731  -1.034
    6   1HB   SER   2          2HB       SER   2   7.467   0.962   1.309
    7   2HB   SER   2          1HB       SER   2   8.293   1.020  -0.249
    8    HG   SER   2           HG       SER   2   8.514   2.684   1.905
    9    H    ILE   3           H        ILE   3   5.449   1.780  -2.477
   10    HA   ILE   3           HA       ILE   3   3.573  -0.270  -1.800
   11    HB   ILE   3           HB       ILE   3   4.412   0.884  -4.457
   12   1HG1  ILE   3          2HG1      ILE   3   3.114   2.306  -2.827
   13   2HG1  ILE   3          1HG1      ILE   3   2.332   2.065  -4.385
   14   1HG2  ILE   3          1HG2      ILE   3   3.624  -1.529  -4.562
   15   2HG2  ILE   3          2HG2      ILE   3   2.749  -0.366  -5.558
   16   3HG2  ILE   3          3HG2      ILE   3   2.051  -0.928  -4.039
   17   1HD1  ILE   3          1HD1      ILE   3   1.542   1.160  -1.697
   18   2HD1  ILE   3          2HD1      ILE   3   1.227   0.050  -3.030
   19   3HD1  ILE   3          3HD1      ILE   3   0.554   1.681  -3.061
   20    HA   PRO   4           HA       PRO   4   6.563  -3.024  -4.636
   21   1HB   PRO   4          2HB       PRO   4   9.110  -1.664  -3.907
   22   2HB   PRO   4          1HB       PRO   4   8.634  -2.428  -5.428
   23   1HG   PRO   4          2HG       PRO   4   8.671   0.214  -5.214
   24   2HG   PRO   4          1HG       PRO   4   7.366  -0.600  -6.099
   25   1HD   PRO   4          2HD       PRO   4   7.340   0.604  -3.363
   26   2HD   PRO   4          1HD       PRO   4   6.079   0.614  -4.613
   27    H    ALA   5           H        ALA   5   7.530  -1.631  -1.557
   28    HA   ALA   5           HA       ALA   5   9.063  -3.770  -0.591
   29   1HB   ALA   5          1HB       ALA   5   8.558  -2.816   1.662
   30   2HB   ALA   5          2HB       ALA   5   7.468  -1.677   0.871
   31   3HB   ALA   5          3HB       ALA   5   9.191  -1.654   0.496
   32    H    CYS   6           H        CYS   6   5.589  -3.175  -0.496
   33    HA   CYS   6           HA       CYS   6   5.076  -5.456   1.189
   34   1HB   CYS   6          2HB       CYS   6   3.063  -3.903  -0.430
   35   2HB   CYS   6          1HB       CYS   6   2.775  -4.864   1.018
   36    H    GLY   7           H        GLY   7   4.508  -4.625  -2.217
   37   1HA   GLY   7          2HA       GLY   7   4.274  -5.960  -4.073
   38   2HA   GLY   7          1HA       GLY   7   4.981  -7.264  -3.128
   39    H    GLU   8           H        GLU   8   2.019  -5.477  -2.418
   40    HA   GLU   8           HA       GLU   8   0.400  -7.785  -3.167
   41   1HB   GLU   8          2HB       GLU   8   1.008  -8.093  -0.777
   42   2HB   GLU   8          1HB       GLU   8   0.283  -6.533  -0.414
   43   1HG   GLU   8          2HG       GLU   8  -1.887  -7.396  -1.222
   44   2HG   GLU   8          1HG       GLU   8  -1.137  -8.972  -1.460
   45    H    SER   9           H        SER   9  -1.561  -7.241  -3.930
   46    HA   SER   9           HA       SER   9  -2.184  -4.393  -4.088
   47   1HB   SER   9          2HB       SER   9  -3.463  -6.695  -5.582
   48   2HB   SER   9          1HB       SER   9  -3.603  -4.976  -5.954
   49    HG   SER   9           HG       SER   9  -1.394  -4.961  -6.459
   50    H    CYS  10           H        CYS  10  -3.716  -3.541  -2.843
   51    HA   CYS  10           HA       CYS  10  -5.459  -5.289  -1.309
   52   1HB   CYS  10          2HB       CYS  10  -6.093  -3.189  -0.127
   53   2HB   CYS  10          1HB       CYS  10  -4.370  -3.525  -0.073
   54    H    PHE  11           H        PHE  11  -6.146  -5.551  -3.847
   55    HA   PHE  11           HA       PHE  11  -7.894  -3.754  -5.014
   56   1HB   PHE  11          2HB       PHE  11  -8.943  -5.965  -5.995
   57   2HB   PHE  11          1HB       PHE  11  -7.334  -5.435  -6.463
   58    HD1  PHE  11           1HD      PHE  11  -5.758  -7.069  -6.602
   59    HD2  PHE  11           2HD      PHE  11  -8.866  -7.487  -3.725
   60    HE1  PHE  11           1HE      PHE  11  -4.833  -9.245  -5.925
   61    HE2  PHE  11           2HE      PHE  11  -7.943  -9.662  -3.039
   62    HZ   PHE  11           HZ       PHE  11  -5.924 -10.543  -4.139
   63    H    LYS  12           H        LYS  12  -8.535  -6.067  -2.457
   64    HA   LYS  12           HA       LYS  12 -11.325  -5.133  -2.394
   65   1HB   LYS  12          2HB       LYS  12 -10.103  -7.685  -1.330
   66   2HB   LYS  12          1HB       LYS  12 -11.761  -7.188  -1.025
   67   1HG   LYS  12          2HG       LYS  12 -12.227  -7.260  -3.422
   68   2HG   LYS  12          1HG       LYS  12 -10.563  -7.761  -3.728
   69   1HD   LYS  12          2HD       LYS  12 -12.041  -9.690  -3.747
   70   2HD   LYS  12          1HD       LYS  12 -10.937  -9.779  -2.375
   71   1HE   LYS  12          2HE       LYS  12 -12.706  -8.905  -0.912
   72   2HE   LYS  12          1HE       LYS  12 -13.806  -8.851  -2.288
   73   1HZ   LYS  12          1HZ       LYS  12 -14.348 -10.931  -1.814
   74   2HZ   LYS  12          2HZ       LYS  12 -13.162 -11.036  -0.612
   75   3HZ   LYS  12          3HZ       LYS  12 -12.776 -11.417  -2.214
   76    H    GLY  13           H        GLY  13  -9.066  -3.677  -1.309
   77   1HA   GLY  13          2HA       GLY  13  -8.493  -2.508   0.583
   78   2HA   GLY  13          1HA       GLY  13 -10.113  -2.876   1.155
   79    H    LYS  14           H        LYS  14  -7.366  -5.020   0.482
   80    HA   LYS  14           HA       LYS  14  -7.201  -5.677   3.313
   81   1HB   LYS  14          2HB       LYS  14  -8.716  -7.314   2.493
   82   2HB   LYS  14          1HB       LYS  14  -7.735  -7.599   1.067
   83   1HG   LYS  14          2HG       LYS  14  -6.698  -8.215   3.812
   84   2HG   LYS  14          1HG       LYS  14  -7.716  -9.356   2.924
   85   1HD   LYS  14          2HD       LYS  14  -6.096  -9.062   1.012
   86   2HD   LYS  14          1HD       LYS  14  -5.032  -8.257   2.148
   87   1HE   LYS  14          2HE       LYS  14  -4.985 -10.259   3.546
   88   2HE   LYS  14          1HE       LYS  14  -6.074 -11.077   2.424
   89   1HZ   LYS  14          1HZ       LYS  14  -3.523 -11.435   2.254
   90   2HZ   LYS  14          2HZ       LYS  14  -3.535  -9.959   1.420
   91   3HZ   LYS  14          3HZ       LYS  14  -4.439 -11.273   0.844
   92    H    CYS  15           H        CYS  15  -5.215  -6.074   4.037
   93    HA   CYS  15           HA       CYS  15  -3.042  -6.482   2.117
   94   1HB   CYS  15          2HB       CYS  15  -2.987  -4.574   4.473
   95   2HB   CYS  15          1HB       CYS  15  -1.610  -4.976   3.458
   96    H    TYR  16           H        TYR  16  -1.749  -8.137   2.705
   97    HA   TYR  16           HA       TYR  16  -2.354  -9.490   5.218
   98   1HB   TYR  16          2HB       TYR  16  -2.146 -10.639   2.940
   99   2HB   TYR  16          1HB       TYR  16  -0.414 -10.396   3.098
  100    HD1  TYR  16           1HD      TYR  16   0.595 -12.424   3.545
  101    HD2  TYR  16           2HD      TYR  16  -3.035 -11.457   5.541
  102    HE1  TYR  16           1HE      TYR  16   0.770 -14.497   4.857
  103    HE2  TYR  16           2HE      TYR  16  -2.869 -13.524   6.860
  104    HH   TYR  16           HH       TYR  16  -0.506 -15.109   7.508
  105    H    THR  17           H        THR  17   0.365  -8.058   3.515
  106    HA   THR  17           HA       THR  17   2.314  -8.672   5.461
  107    HB   THR  17           HB       THR  17   3.100  -8.199   3.297
  108    HG1  THR  17           1HG      THR  17   4.734  -6.965   3.872
  109   1HG2  THR  17          1HG2      THR  17   2.767  -5.990   2.211
  110   2HG2  THR  17          2HG2      THR  17   1.650  -5.577   3.511
  111   3HG2  THR  17          3HG2      THR  17   1.282  -6.917   2.427
  112    HA   PRO  18           HA       PRO  18   0.905  -5.951   8.691
  113   1HB   PRO  18          2HB       PRO  18   3.562  -6.662   9.781
  114   2HB   PRO  18          1HB       PRO  18   1.965  -6.825  10.515
  115   1HG   PRO  18          2HG       PRO  18   3.317  -8.956   9.600
  116   2HG   PRO  18          1HG       PRO  18   1.550  -8.849   9.492
  117   1HD   PRO  18          2HD       PRO  18   3.604  -8.485   7.359
  118   2HD   PRO  18          1HD       PRO  18   1.976  -9.180   7.254
  119    H    GLY  19           H        GLY  19   1.131  -3.837   8.864
  120   1HA   GLY  19          2HA       GLY  19   2.434  -1.870   9.211
  121   2HA   GLY  19          1HA       GLY  19   3.757  -2.635   8.342
  122    H    CYS  20           H        CYS  20   1.728  -3.571   6.249
  123    HA   CYS  20           HA       CYS  20   1.884  -1.094   4.718
  124   1HB   CYS  20          2HB       CYS  20   1.049  -3.853   3.845
  125   2HB   CYS  20          1HB       CYS  20   1.228  -2.468   2.788
  126    H    SER  21           H        SER  21   0.143  -0.068   3.800
  127    HA   SER  21           HA       SER  21  -2.523  -0.933   4.678
  128   1HB   SER  21          2HB       SER  21  -1.493   1.912   4.816
  129   2HB   SER  21          1HB       SER  21  -3.095   1.353   5.300
  130    HG   SER  21           HG       SER  21  -1.326  -0.141   6.571
  131    H    CYS  22           H        CYS  22  -4.250  -0.206   3.360
  132    HA   CYS  22           HA       CYS  22  -3.592  -0.023   0.579
  133   1HB   CYS  22          2HB       CYS  22  -5.601  -1.210   1.671
  134   2HB   CYS  22          1HB       CYS  22  -6.331   0.388   1.768
  135    H    SER  23           H        SER  23  -2.380   2.095   1.580
  136    HA   SER  23           HA       SER  23  -3.962   4.471   1.654
  137   1HB   SER  23          2HB       SER  23  -0.967   4.259   1.273
  138   2HB   SER  23          1HB       SER  23  -1.875   5.615   1.947
  139    HG   SER  23           HG       SER  23  -2.091   4.577   3.803
  140    H    LYS  24           H        LYS  24  -2.349   2.647  -0.798
  141    HA   LYS  24           HA       LYS  24  -3.026   4.731  -2.760
  142   1HB   LYS  24          2HB       LYS  24  -0.701   2.804  -2.930
  143   2HB   LYS  24          1HB       LYS  24  -1.092   4.077  -4.080
  144   1HG   LYS  24          2HG       LYS  24  -0.720   5.741  -2.270
  145   2HG   LYS  24          1HG       LYS  24  -0.180   4.423  -1.232
  146   1HD   LYS  24          2HD       LYS  24   1.615   3.906  -2.802
  147   2HD   LYS  24          1HD       LYS  24   1.070   5.205  -3.865
  148   1HE   LYS  24          2HE       LYS  24   1.559   6.850  -2.159
  149   2HE   LYS  24          1HE       LYS  24   2.003   5.578  -1.021
  150   1HZ   LYS  24          1HZ       LYS  24   3.428   5.637  -3.566
  151   2HZ   LYS  24          2HZ       LYS  24   3.993   5.251  -2.015
  152   3HZ   LYS  24          3HZ       LYS  24   3.783   6.871  -2.465
  153    H    TYR  25           H        TYR  25  -5.046   3.361  -2.487
  154    HA   TYR  25           HA       TYR  25  -5.421   0.777  -3.304
  155   1HB   TYR  25          2HB       TYR  25  -7.166   2.334  -2.412
  156   2HB   TYR  25          1HB       TYR  25  -7.226   3.111  -3.989
  157    HD1  TYR  25           1HD      TYR  25  -8.838   2.414  -5.492
  158    HD2  TYR  25           2HD      TYR  25  -7.575  -0.279  -2.451
  159    HE1  TYR  25           1HE      TYR  25 -10.550   0.803  -6.215
  160    HE2  TYR  25           2HE      TYR  25  -9.278  -1.898  -3.169
  161    HH   TYR  25           HH       TYR  25 -10.780  -2.416  -4.750
  162    HA   PRO  26           HA       PRO  26  -6.151  -0.653  -4.232
  163   1HB   PRO  26          2HB       PRO  26  -6.076  -2.671  -5.983
  164   2HB   PRO  26          1HB       PRO  26  -7.339  -1.437  -6.051
  165   1HG   PRO  26          2HG       PRO  26  -5.031  -1.865  -7.841
  166   2HG   PRO  26          1HG       PRO  26  -6.572  -1.057  -8.167
  167   1HD   PRO  26          2HD       PRO  26  -4.038   0.134  -7.469
  168   2HD   PRO  26          1HD       PRO  26  -5.567   0.947  -7.857
  169    H    LEU  27           H        LEU  27  -3.445   0.197  -3.993
  170    HA   LEU  27           HA       LEU  27  -2.090  -2.408  -3.816
  171   1HB   LEU  27          2HB       LEU  27  -0.902   0.254  -4.573
  172   2HB   LEU  27          1HB       LEU  27   0.046  -1.173  -4.191
  173    HG   LEU  27           HG       LEU  27  -2.030  -1.264  -6.325
  174   1HD1  LEU  27          1HD1      LEU  27  -0.608   0.648  -6.868
  175   2HD1  LEU  27          2HD1      LEU  27  -0.305  -0.693  -7.974
  176   3HD1  LEU  27          3HD1      LEU  27   0.829  -0.355  -6.665
  177   1HD2  LEU  27          1HD2      LEU  27  -0.993  -3.191  -7.006
  178   2HD2  LEU  27          2HD2      LEU  27  -0.697  -3.258  -5.268
  179   3HD2  LEU  27          3HD2      LEU  27   0.574  -2.704  -6.359
  180    H    CYS  28           H        CYS  28  -0.880  -2.812  -2.044
  181    HA   CYS  28           HA       CYS  28  -1.474  -1.179   0.288
  182   1HB   CYS  28          2HB       CYS  28   0.001  -3.812   0.022
  183   2HB   CYS  28          1HB       CYS  28  -0.377  -3.020   1.546
  184    H    ALA  29           H        ALA  29  -0.162   0.329   1.012
  185    HA   ALA  29           HA       ALA  29   2.602   0.394   0.050
  186   1HB   ALA  29          1HB       ALA  29   0.716   2.510   1.023
  187   2HB   ALA  29          2HB       ALA  29   1.546   2.390  -0.529
  188   3HB   ALA  29          3HB       ALA  29   2.452   2.798   0.928
  189    H    LYS  30           H        LYS  30   4.239   0.097   1.350
  190    HA   LYS  30           HA       LYS  30   3.865  -0.488   4.154
  191   1HB   LYS  30          2HB       LYS  30   5.583  -1.386   2.255
  192   2HB   LYS  30          1HB       LYS  30   6.590  -0.170   3.026
  193   1HG   LYS  30          2HG       LYS  30   5.536  -2.737   4.088
  194   2HG   LYS  30          1HG       LYS  30   7.158  -2.063   4.166
  195   1HD   LYS  30          2HD       LYS  30   6.426  -0.451   5.836
  196   2HD   LYS  30          1HD       LYS  30   4.779  -1.090   5.739
  197   1HE   LYS  30          2HE       LYS  30   7.254  -2.450   6.767
  198   2HE   LYS  30          1HE       LYS  30   5.752  -2.115   7.629
  199   1HZ   LYS  30          1HZ       LYS  30   5.011  -4.102   7.018
  200   2HZ   LYS  30          2HZ       LYS  30   6.440  -4.405   6.163
  201   3HZ   LYS  30          3HZ       LYS  30   5.133  -3.666   5.385
  202    H    ASN  31           H        ASN  31   3.014   1.681   4.510
  203    HA   ASN  31           HA       ASN  31   3.135   3.775   5.365
  204   1HB   ASN  31          2HB       ASN  31   5.071   2.582   6.696
  205   2HB   ASN  31          1HB       ASN  31   6.118   3.568   5.682
  206   1HD2  ASN  31          1HD2      ASN  31   4.689   3.436   8.592
  207   2HD2  ASN  31          2HD2      ASN  31   4.574   5.119   8.954
  Start of MODEL    8
    1    H    GLY   1           H        GLY   1   3.311   3.292   2.522
    2   1HA   GLY   1          2HA       GLY   1   3.538   5.149   0.938
    3   2HA   GLY   1          1HA       GLY   1   5.005   5.599   1.795
    4    H    SER   2           H        SER   2   5.743   2.703   2.015
    5    HA   SER   2           HA       SER   2   7.201   2.575  -0.466
    6   1HB   SER   2          2HB       SER   2   7.135   0.577   1.805
    7   2HB   SER   2          1HB       SER   2   8.353   0.689   0.534
    8    HG   SER   2           HG       SER   2   7.857   2.463   2.676
    9    H    ILE   3           H        ILE   3   5.821   2.119  -2.134
   10    HA   ILE   3           HA       ILE   3   3.777   0.166  -2.062
   11    HB   ILE   3           HB       ILE   3   5.108   1.668  -4.295
   12   1HG1  ILE   3          2HG1      ILE   3   2.726   2.412  -4.666
   13   2HG1  ILE   3          1HG1      ILE   3   2.293   1.539  -3.203
   14   1HG2  ILE   3          1HG2      ILE   3   4.545   0.211  -5.864
   15   2HG2  ILE   3          2HG2      ILE   3   2.866   0.253  -5.325
   16   3HG2  ILE   3          3HG2      ILE   3   3.988  -0.909  -4.620
   17   1HD1  ILE   3          1HD1      ILE   3   4.496   3.326  -2.725
   18   2HD1  ILE   3          2HD1      ILE   3   2.921   3.229  -1.933
   19   3HD1  ILE   3          3HD1      ILE   3   3.110   4.176  -3.410
   20    HA   PRO   4           HA       PRO   4   6.829  -2.678  -4.616
   21   1HB   PRO   4          2HB       PRO   4   9.497  -2.172  -4.213
   22   2HB   PRO   4          1HB       PRO   4   8.565  -1.582  -5.592
   23   1HG   PRO   4          2HG       PRO   4   9.294  -0.171  -3.055
   24   2HG   PRO   4          1HG       PRO   4   9.323   0.436  -4.723
   25   1HD   PRO   4          2HD       PRO   4   7.327   1.060  -3.055
   26   2HD   PRO   4          1HD       PRO   4   7.025   0.755  -4.779
   27    H    ALA   5           H        ALA   5   7.460  -1.517  -1.407
   28    HA   ALA   5           HA       ALA   5   8.988  -3.680  -0.455
   29   1HB   ALA   5          1HB       ALA   5   9.138  -1.986   1.029
   30   2HB   ALA   5          2HB       ALA   5   7.801  -2.848   1.791
   31   3HB   ALA   5          3HB       ALA   5   7.478  -1.456   0.760
   32    H    CYS   6           H        CYS   6   5.479  -3.077  -0.305
   33    HA   CYS   6           HA       CYS   6   5.006  -5.632   0.939
   34   1HB   CYS   6          2HB       CYS   6   2.898  -3.853  -0.262
   35   2HB   CYS   6          1HB       CYS   6   2.736  -5.000   1.064
   36    H    GLY   7           H        GLY   7   4.179  -4.174  -2.213
   37   1HA   GLY   7          2HA       GLY   7   3.768  -5.144  -4.260
   38   2HA   GLY   7          1HA       GLY   7   4.631  -6.561  -3.668
   39    H    GLU   8           H        GLU   8   1.828  -5.205  -2.117
   40    HA   GLU   8           HA       GLU   8   0.258  -7.570  -2.887
   41   1HB   GLU   8          2HB       GLU   8   0.743  -7.844  -0.608
   42   2HB   GLU   8          1HB       GLU   8   0.566  -6.131  -0.267
   43   1HG   GLU   8          2HG       GLU   8  -1.838  -6.306  -0.545
   44   2HG   GLU   8          1HG       GLU   8  -1.679  -8.016  -0.948
   45    H    SER   9           H        SER   9  -1.760  -7.237  -3.661
   46    HA   SER   9           HA       SER   9  -2.576  -4.471  -4.098
   47   1HB   SER   9          2HB       SER   9  -3.714  -7.019  -5.270
   48   2HB   SER   9          1HB       SER   9  -4.059  -5.373  -5.800
   49    HG   SER   9           HG       SER   9  -1.966  -5.178  -6.521
   50    H    CYS  10           H        CYS  10  -4.373  -3.573  -3.246
   51    HA   CYS  10           HA       CYS  10  -6.057  -5.272  -1.528
   52   1HB   CYS  10          2HB       CYS  10  -6.478  -3.218  -0.182
   53   2HB   CYS  10          1HB       CYS  10  -4.793  -3.728  -0.163
   54    H    PHE  11           H        PHE  11  -8.296  -4.886  -1.535
   55    HA   PHE  11           HA       PHE  11  -9.393  -2.899  -3.335
   56   1HB   PHE  11          2HB       PHE  11  -8.905  -4.781  -4.846
   57   2HB   PHE  11          1HB       PHE  11  -9.842  -5.856  -3.815
   58    HD1  PHE  11           1HD      PHE  11 -11.768  -6.492  -4.869
   59    HD2  PHE  11           2HD      PHE  11 -10.478  -2.452  -5.214
   60    HE1  PHE  11           1HE      PHE  11 -13.795  -5.959  -6.160
   61    HE2  PHE  11           2HE      PHE  11 -12.504  -1.910  -6.503
   62    HZ   PHE  11           HZ       PHE  11 -14.165  -3.665  -6.977
   63    H    LYS  12           H        LYS  12 -10.235  -5.877  -1.569
   64    HA   LYS  12           HA       LYS  12 -12.147  -4.394   0.038
   65   1HB   LYS  12          2HB       LYS  12 -12.942  -6.715  -1.728
   66   2HB   LYS  12          1HB       LYS  12 -13.909  -6.167  -0.368
   67   1HG   LYS  12          2HG       LYS  12 -14.068  -3.939  -1.442
   68   2HG   LYS  12          1HG       LYS  12 -13.215  -4.597  -2.839
   69   1HD   LYS  12          2HD       LYS  12 -15.002  -6.248  -3.143
   70   2HD   LYS  12          1HD       LYS  12 -15.857  -5.573  -1.753
   71   1HE   LYS  12          2HE       LYS  12 -15.210  -4.147  -4.332
   72   2HE   LYS  12          1HE       LYS  12 -16.798  -4.716  -3.820
   73   1HZ   LYS  12          1HZ       LYS  12 -15.180  -2.559  -2.583
   74   2HZ   LYS  12          2HZ       LYS  12 -16.579  -3.197  -1.878
   75   3HZ   LYS  12          3HZ       LYS  12 -16.670  -2.403  -3.368
   76    H    GLY  13           H        GLY  13 -10.189  -5.004   1.374
   77   1HA   GLY  13          2HA       GLY  13 -10.912  -7.115   3.112
   78   2HA   GLY  13          1HA       GLY  13  -9.569  -7.612   2.094
   79    H    LYS  14           H        LYS  14  -7.987  -7.691   3.616
   80    HA   LYS  14           HA       LYS  14  -7.099  -5.138   4.692
   81   1HB   LYS  14          2HB       LYS  14  -8.377  -6.139   6.480
   82   2HB   LYS  14          1HB       LYS  14  -7.563  -7.676   6.258
   83   1HG   LYS  14          2HG       LYS  14  -6.047  -5.220   7.054
   84   2HG   LYS  14          1HG       LYS  14  -6.889  -6.221   8.245
   85   1HD   LYS  14          2HD       LYS  14  -5.678  -8.178   7.226
   86   2HD   LYS  14          1HD       LYS  14  -4.685  -7.012   6.373
   87   1HE   LYS  14          2HE       LYS  14  -3.525  -7.696   8.372
   88   2HE   LYS  14          1HE       LYS  14  -4.040  -6.019   8.552
   89   1HZ   LYS  14          1HZ       LYS  14  -5.911  -6.776   9.880
   90   2HZ   LYS  14          2HZ       LYS  14  -4.450  -7.292  10.558
   91   3HZ   LYS  14          3HZ       LYS  14  -5.417  -8.385   9.703
   92    H    CYS  15           H        CYS  15  -4.955  -4.872   4.442
   93    HA   CYS  15           HA       CYS  15  -3.462  -6.529   2.783
   94   1HB   CYS  15          2HB       CYS  15  -2.306  -4.597   4.798
   95   2HB   CYS  15          1HB       CYS  15  -1.583  -5.117   3.279
   96    H    TYR  16           H        TYR  16  -2.392  -8.347   3.089
   97    HA   TYR  16           HA       TYR  16  -2.268  -9.584   5.666
   98   1HB   TYR  16          2HB       TYR  16  -1.161 -10.336   2.959
   99   2HB   TYR  16          1HB       TYR  16  -0.897 -11.316   4.394
  100    HD1  TYR  16           1HD      TYR  16  -2.219 -13.196   4.441
  101    HD2  TYR  16           2HD      TYR  16  -3.859  -9.604   2.856
  102    HE1  TYR  16           1HE      TYR  16  -4.352 -14.351   4.039
  103    HE2  TYR  16           2HE      TYR  16  -5.996 -10.748   2.454
  104    HH   TYR  16           HH       TYR  16  -6.919 -12.889   2.218
  105    H    THR  17           H        THR  17  -0.044  -7.913   3.547
  106    HA   THR  17           HA       THR  17   2.334  -8.545   4.907
  107    HB   THR  17           HB       THR  17   1.989  -5.926   3.488
  108    HG1  THR  17           1HG      THR  17   0.959  -7.339   2.089
  109   1HG2  THR  17          1HG2      THR  17   4.174  -6.510   4.450
  110   2HG2  THR  17          2HG2      THR  17   4.243  -6.443   2.689
  111   3HG2  THR  17          3HG2      THR  17   4.187  -8.002   3.510
  112    HA   PRO  18           HA       PRO  18   1.451  -6.311   8.685
  113   1HB   PRO  18          2HB       PRO  18   4.329  -6.806   9.135
  114   2HB   PRO  18          1HB       PRO  18   2.946  -7.199  10.158
  115   1HG   PRO  18          2HG       PRO  18   4.244  -9.099   8.789
  116   2HG   PRO  18          1HG       PRO  18   2.488  -9.158   9.024
  117   1HD   PRO  18          2HD       PRO  18   4.053  -8.397   6.601
  118   2HD   PRO  18          1HD       PRO  18   2.511  -9.265   6.724
  119    H    GLY  19           H        GLY  19   1.434  -4.231   8.969
  120   1HA   GLY  19          2HA       GLY  19   2.317  -2.094   9.269
  121   2HA   GLY  19          1HA       GLY  19   3.789  -2.614   8.466
  122    H    CYS  20           H        CYS  20   1.603  -3.694   6.356
  123    HA   CYS  20           HA       CYS  20   1.863  -1.266   4.768
  124   1HB   CYS  20          2HB       CYS  20   0.780  -3.965   3.961
  125   2HB   CYS  20          1HB       CYS  20   1.123  -2.617   2.884
  126    H    SER  21           H        SER  21   0.181  -0.157   3.843
  127    HA   SER  21           HA       SER  21  -2.515  -0.784   4.826
  128   1HB   SER  21          2HB       SER  21  -1.285   1.983   4.747
  129   2HB   SER  21          1HB       SER  21  -2.908   1.575   5.304
  130    HG   SER  21           HG       SER  21  -1.240   0.043   6.646
  131    H    CYS  22           H        CYS  22  -4.200  -0.182   3.463
  132    HA   CYS  22           HA       CYS  22  -3.573  -0.131   0.673
  133   1HB   CYS  22          2HB       CYS  22  -5.540  -1.309   1.750
  134   2HB   CYS  22          1HB       CYS  22  -6.274   0.272   1.972
  135    H    SER  23           H        SER  23  -2.360   2.061   1.572
  136    HA   SER  23           HA       SER  23  -4.097   4.376   1.238
  137   1HB   SER  23          2HB       SER  23  -1.114   4.336   1.750
  138   2HB   SER  23          1HB       SER  23  -2.241   5.665   2.038
  139    HG   SER  23           HG       SER  23  -2.949   4.712   3.818
  140    H    LYS  24           H        LYS  24  -3.058   2.398  -0.923
  141    HA   LYS  24           HA       LYS  24  -2.586   4.441  -2.936
  142   1HB   LYS  24          2HB       LYS  24  -0.637   2.211  -2.350
  143   2HB   LYS  24          1HB       LYS  24  -0.673   3.061  -3.885
  144   1HG   LYS  24          2HG       LYS  24  -0.208   4.369  -1.215
  145   2HG   LYS  24          1HG       LYS  24   1.063   3.886  -2.339
  146   1HD   LYS  24          2HD       LYS  24   0.177   5.401  -4.023
  147   2HD   LYS  24          1HD       LYS  24  -1.151   5.845  -2.948
  148   1HE   LYS  24          2HE       LYS  24   0.480   6.733  -1.335
  149   2HE   LYS  24          1HE       LYS  24   1.784   6.328  -2.450
  150   1HZ   LYS  24          1HZ       LYS  24   0.201   7.784  -4.023
  151   2HZ   LYS  24          2HZ       LYS  24   1.477   8.434  -3.122
  152   3HZ   LYS  24          3HZ       LYS  24  -0.105   8.523  -2.531
  153    H    TYR  25           H        TYR  25  -4.873   3.375  -2.981
  154    HA   TYR  25           HA       TYR  25  -5.406   0.830  -3.844
  155   1HB   TYR  25          2HB       TYR  25  -6.772   3.398  -4.668
  156   2HB   TYR  25          1HB       TYR  25  -7.410   1.795  -5.007
  157    HD1  TYR  25           1HD      TYR  25  -6.398   4.021  -2.197
  158    HD2  TYR  25           2HD      TYR  25  -8.764   0.716  -3.451
  159    HE1  TYR  25           1HE      TYR  25  -7.528   4.009  -0.015
  160    HE2  TYR  25           2HE      TYR  25  -9.900   0.693  -1.272
  161    HH   TYR  25           HH       TYR  25  -9.944   1.545   0.791
  162    HA   PRO  26           HA       PRO  26  -6.166  -0.486  -4.842
  163   1HB   PRO  26          2HB       PRO  26  -6.146  -2.530  -6.567
  164   2HB   PRO  26          1HB       PRO  26  -7.175  -1.118  -6.824
  165   1HG   PRO  26          2HG       PRO  26  -4.738  -1.945  -8.262
  166   2HG   PRO  26          1HG       PRO  26  -6.047  -0.877  -8.791
  167   1HD   PRO  26          2HD       PRO  26  -3.467  -0.166  -7.671
  168   2HD   PRO  26          1HD       PRO  26  -4.720   0.903  -8.333
  169    H    LEU  27           H        LEU  27  -3.508  -0.093  -4.037
  170    HA   LEU  27           HA       LEU  27  -2.757  -2.842  -3.494
  171   1HB   LEU  27          2HB       LEU  27  -0.409  -2.511  -4.085
  172   2HB   LEU  27          1HB       LEU  27  -1.468  -2.371  -5.474
  173    HG   LEU  27           HG       LEU  27  -1.305   0.204  -4.889
  174   1HD1  LEU  27          1HD1      LEU  27   1.479  -0.519  -4.177
  175   2HD1  LEU  27          2HD1      LEU  27   0.253  -0.602  -2.911
  176   3HD1  LEU  27          3HD1      LEU  27   0.537   0.915  -3.767
  177   1HD2  LEU  27          1HD2      LEU  27   0.892   0.120  -6.344
  178   2HD2  LEU  27          2HD2      LEU  27  -0.676  -0.324  -7.020
  179   3HD2  LEU  27          3HD2      LEU  27   0.445  -1.580  -6.496
  180    H    CYS  28           H        CYS  28  -1.271  -3.100  -1.764
  181    HA   CYS  28           HA       CYS  28  -1.653  -1.071   0.280
  182   1HB   CYS  28          2HB       CYS  28  -0.482  -3.857   0.411
  183   2HB   CYS  28          1HB       CYS  28  -0.750  -2.812   1.802
  184    H    ALA  29           H        ALA  29  -0.119   0.264   0.984
  185    HA   ALA  29           HA       ALA  29   2.619  -0.119  -0.021
  186   1HB   ALA  29          1HB       ALA  29   2.764   2.081  -0.473
  187   2HB   ALA  29          2HB       ALA  29   1.865   2.542   0.973
  188   3HB   ALA  29          3HB       ALA  29   1.002   2.008  -0.470
  189    H    LYS  30           H        LYS  30   4.292  -0.121   1.378
  190    HA   LYS  30           HA       LYS  30   3.701  -0.447   4.176
  191   1HB   LYS  30          2HB       LYS  30   5.383  -1.842   2.985
  192   2HB   LYS  30          1HB       LYS  30   6.376  -0.411   2.759
  193   1HG   LYS  30          2HG       LYS  30   7.095  -1.896   4.619
  194   2HG   LYS  30          1HG       LYS  30   6.781  -0.228   5.100
  195   1HD   LYS  30          2HD       LYS  30   4.734  -0.803   6.115
  196   2HD   LYS  30          1HD       LYS  30   4.703  -2.386   5.339
  197   1HE   LYS  30          2HE       LYS  30   6.875  -1.614   7.262
  198   2HE   LYS  30          1HE       LYS  30   5.336  -2.271   7.821
  199   1HZ   LYS  30          1HZ       LYS  30   5.767  -4.308   6.926
  200   2HZ   LYS  30          2HZ       LYS  30   7.347  -3.831   7.315
  201   3HZ   LYS  30          3HZ       LYS  30   6.796  -3.706   5.721
  202    H    ASN  31           H        ASN  31   2.849   1.645   4.514
  203    HA   ASN  31           HA       ASN  31   2.876   3.793   5.224
  204   1HB   ASN  31          2HB       ASN  31   4.641   2.607   6.780
  205   2HB   ASN  31          1HB       ASN  31   5.799   3.581   5.881
  206   1HD2  ASN  31          1HD2      ASN  31   4.005   3.482   8.597
  207   2HD2  ASN  31          2HD2      ASN  31   3.867   5.170   8.930
  Start of MODEL    9
    1    H    GLY   1           H        GLY   1   3.412   2.814   2.989
    2   1HA   GLY   1          2HA       GLY   1   3.314   4.839   1.693
    3   2HA   GLY   1          1HA       GLY   1   4.859   5.302   2.386
    4    H    SER   2           H        SER   2   6.039   2.623   1.934
    5    HA   SER   2           HA       SER   2   6.764   3.084  -0.841
    6   1HB   SER   2          2HB       SER   2   8.515   2.707   0.871
    7   2HB   SER   2          1HB       SER   2   7.888   1.079   1.126
    8    HG   SER   2           HG       SER   2   9.699   1.740  -0.576
    9    H    ILE   3           H        ILE   3   5.645   2.157  -2.404
   10    HA   ILE   3           HA       ILE   3   3.962  -0.095  -1.985
   11    HB   ILE   3           HB       ILE   3   4.745   1.382  -4.489
   12   1HG1  ILE   3          2HG1      ILE   3   2.220   1.823  -4.465
   13   2HG1  ILE   3          1HG1      ILE   3   2.237   1.191  -2.823
   14   1HG2  ILE   3          1HG2      ILE   3   2.539  -0.219  -5.093
   15   2HG2  ILE   3          2HG2      ILE   3   3.695  -1.288  -4.298
   16   3HG2  ILE   3          3HG2      ILE   3   4.179  -0.371  -5.724
   17   1HD1  ILE   3          1HD1      ILE   3   2.775   3.192  -2.076
   18   2HD1  ILE   3          2HD1      ILE   3   2.806   3.813  -3.727
   19   3HD1  ILE   3          3HD1      ILE   3   4.271   3.145  -3.007
   20    HA   PRO   4           HA       PRO   4   7.229  -2.458  -4.772
   21   1HB   PRO   4          2HB       PRO   4   9.681  -0.963  -4.015
   22   2HB   PRO   4          1HB       PRO   4   9.219  -1.651  -5.575
   23   1HG   PRO   4          2HG       PRO   4   9.125   0.978  -5.170
   24   2HG   PRO   4          1HG       PRO   4   7.875   0.156  -6.125
   25   1HD   PRO   4          2HD       PRO   4   7.764   1.143  -3.302
   26   2HD   PRO   4          1HD       PRO   4   6.519   1.201  -4.567
   27    H    ALA   5           H        ALA   5   8.152  -0.980  -1.704
   28    HA   ALA   5           HA       ALA   5   9.545  -3.339  -0.794
   29   1HB   ALA   5          1HB       ALA   5  10.489  -1.827   0.529
   30   2HB   ALA   5          2HB       ALA   5   8.966  -1.698   1.411
   31   3HB   ALA   5          3HB       ALA   5   9.298  -0.614   0.059
   32    H    CYS   6           H        CYS   6   6.337  -2.410  -1.033
   33    HA   CYS   6           HA       CYS   6   5.385  -3.737   1.334
   34   1HB   CYS   6          2HB       CYS   6   4.143  -1.839   0.512
   35   2HB   CYS   6          1HB       CYS   6   3.927  -2.612  -1.056
   36    H    GLY   7           H        GLY   7   4.767  -4.301  -2.139
   37   1HA   GLY   7          2HA       GLY   7   4.480  -6.267  -3.306
   38   2HA   GLY   7          1HA       GLY   7   5.254  -7.104  -1.965
   39    H    GLU   8           H        GLU   8   2.339  -5.115  -1.912
   40    HA   GLU   8           HA       GLU   8   0.652  -7.459  -1.488
   41   1HB   GLU   8          2HB       GLU   8   1.349  -6.882   0.753
   42   2HB   GLU   8          1HB       GLU   8   0.989  -5.185   0.478
   43   1HG   GLU   8          2HG       GLU   8  -0.726  -6.128   1.839
   44   2HG   GLU   8          1HG       GLU   8  -1.400  -5.778   0.248
   45    H    SER   9           H        SER   9  -1.544  -7.093  -1.929
   46    HA   SER   9           HA       SER   9  -2.197  -4.436  -3.024
   47   1HB   SER   9          2HB       SER   9  -3.076  -7.097  -4.177
   48   2HB   SER   9          1HB       SER   9  -3.457  -5.498  -4.820
   49    HG   SER   9           HG       SER   9  -0.770  -6.023  -4.444
   50    H    CYS  10           H        CYS  10  -4.009  -3.570  -2.195
   51    HA   CYS  10           HA       CYS  10  -5.507  -5.160  -0.299
   52   1HB   CYS  10          2HB       CYS  10  -6.670  -2.909   0.099
   53   2HB   CYS  10          1HB       CYS  10  -4.992  -3.061   0.577
   54    H    PHE  11           H        PHE  11  -6.045  -6.309  -2.526
   55    HA   PHE  11           HA       PHE  11  -8.291  -5.205  -3.940
   56   1HB   PHE  11          2HB       PHE  11  -8.378  -7.597  -4.895
   57   2HB   PHE  11          1HB       PHE  11  -6.963  -6.620  -5.259
   58    HD1  PHE  11           1HD      PHE  11  -7.949  -8.797  -2.367
   59    HD2  PHE  11           2HD      PHE  11  -5.077  -7.894  -5.375
   60    HE1  PHE  11           1HE      PHE  11  -6.486 -10.571  -1.498
   61    HE2  PHE  11           2HE      PHE  11  -3.610  -9.668  -4.510
   62    HZ   PHE  11           HZ       PHE  11  -4.314 -11.010  -2.570
   63    H    LYS  12           H        LYS  12  -8.648  -5.336  -1.145
   64    HA   LYS  12           HA       LYS  12 -11.251  -6.385  -0.963
   65   1HB   LYS  12          2HB       LYS  12  -9.378  -8.375  -0.670
   66   2HB   LYS  12          1HB       LYS  12  -9.643  -7.879   0.996
   67   1HG   LYS  12          2HG       LYS  12 -11.872  -8.509   0.965
   68   2HG   LYS  12          1HG       LYS  12 -11.964  -8.460  -0.797
   69   1HD   LYS  12          2HD       LYS  12 -10.474 -10.489   0.869
   70   2HD   LYS  12          1HD       LYS  12 -11.972 -10.761  -0.024
   71   1HE   LYS  12          2HE       LYS  12  -9.249 -10.137  -1.161
   72   2HE   LYS  12          1HE       LYS  12 -10.144 -11.649  -1.306
   73   1HZ   LYS  12          1HZ       LYS  12 -10.525  -9.110  -2.719
   74   2HZ   LYS  12          2HZ       LYS  12 -11.904 -10.039  -2.388
   75   3HZ   LYS  12          3HZ       LYS  12 -10.641 -10.700  -3.296
   76    H    GLY  13           H        GLY  13  -9.680  -4.018  -0.460
   77   1HA   GLY  13          2HA       GLY  13  -9.801  -2.264   1.014
   78   2HA   GLY  13          1HA       GLY  13 -10.782  -3.271   2.063
   79    H    LYS  14           H        LYS  14  -9.357  -5.164   3.035
   80    HA   LYS  14           HA       LYS  14  -7.281  -3.803   4.516
   81   1HB   LYS  14          2HB       LYS  14  -7.238  -5.964   5.847
   82   2HB   LYS  14          1HB       LYS  14  -8.730  -5.040   5.892
   83   1HG   LYS  14          2HG       LYS  14  -9.427  -7.249   5.685
   84   2HG   LYS  14          1HG       LYS  14  -9.552  -6.612   4.048
   85   1HD   LYS  14          2HD       LYS  14  -7.396  -7.632   3.490
   86   2HD   LYS  14          1HD       LYS  14  -7.274  -8.267   5.132
   87   1HE   LYS  14          2HE       LYS  14  -9.445  -8.939   3.149
   88   2HE   LYS  14          1HE       LYS  14  -8.059  -9.960   3.529
   89   1HZ   LYS  14          1HZ       LYS  14  -9.665 -10.828   4.886
   90   2HZ   LYS  14          2HZ       LYS  14 -10.412  -9.339   5.173
   91   3HZ   LYS  14          3HZ       LYS  14  -8.952  -9.712   5.939
   92    H    CYS  15           H        CYS  15  -5.166  -4.474   4.757
   93    HA   CYS  15           HA       CYS  15  -4.060  -5.861   2.438
   94   1HB   CYS  15          2HB       CYS  15  -2.665  -4.325   4.647
   95   2HB   CYS  15          1HB       CYS  15  -1.904  -4.958   3.191
   96    H    TYR  16           H        TYR  16  -2.866  -7.752   2.609
   97    HA   TYR  16           HA       TYR  16  -3.305  -9.275   5.026
   98   1HB   TYR  16          2HB       TYR  16  -1.956 -10.021   2.419
   99   2HB   TYR  16          1HB       TYR  16  -2.236 -11.134   3.753
  100    HD1  TYR  16           1HD      TYR  16  -4.052 -12.526   3.562
  101    HD2  TYR  16           2HD      TYR  16  -4.214  -8.719   1.667
  102    HE1  TYR  16           1HE      TYR  16  -6.262 -13.082   2.641
  103    HE2  TYR  16           2HE      TYR  16  -6.426  -9.265   0.745
  104    HH   TYR  16           HH       TYR  16  -7.644 -12.311   0.583
  105    H    THR  17           H        THR  17  -0.552  -8.105   3.139
  106    HA   THR  17           HA       THR  17   1.435  -9.073   4.891
  107    HB   THR  17           HB       THR  17   1.612  -6.825   2.879
  108    HG1  THR  17           1HG      THR  17   0.981  -8.819   1.933
  109   1HG2  THR  17          1HG2      THR  17   3.818  -8.536   4.032
  110   2HG2  THR  17          2HG2      THR  17   3.466  -6.887   4.546
  111   3HG2  THR  17          3HG2      THR  17   3.994  -7.201   2.893
  112    HA   PRO  18           HA       PRO  18   0.798  -6.161   8.239
  113   1HB   PRO  18          2HB       PRO  18   3.151  -6.897   9.516
  114   2HB   PRO  18          1HB       PRO  18   1.582  -7.672   9.748
  115   1HG   PRO  18          2HG       PRO  18   3.878  -8.511   8.037
  116   2HG   PRO  18          1HG       PRO  18   2.769  -9.506   8.999
  117   1HD   PRO  18          2HD       PRO  18   2.529  -9.307   6.335
  118   2HD   PRO  18          1HD       PRO  18   1.104  -9.428   7.388
  119    H    GLY  19           H        GLY  19   1.414  -4.109   8.428
  120   1HA   GLY  19          2HA       GLY  19   3.062  -2.387   8.556
  121   2HA   GLY  19          1HA       GLY  19   4.090  -3.340   7.495
  122    H    CYS  20           H        CYS  20   1.615  -3.901   5.781
  123    HA   CYS  20           HA       CYS  20   1.948  -1.485   4.189
  124   1HB   CYS  20          2HB       CYS  20   0.604  -4.104   3.589
  125   2HB   CYS  20          1HB       CYS  20   0.598  -2.734   2.492
  126    H    SER  21           H        SER  21   0.312  -0.223   3.445
  127    HA   SER  21           HA       SER  21  -2.318  -0.501   4.718
  128   1HB   SER  21          2HB       SER  21  -0.972   1.207   5.940
  129   2HB   SER  21          1HB       SER  21  -0.774   2.096   4.431
  130    HG   SER  21           HG       SER  21  -2.612   2.576   6.049
  131    H    CYS  22           H        CYS  22  -4.039   0.121   3.403
  132    HA   CYS  22           HA       CYS  22  -3.523   0.099   0.589
  133   1HB   CYS  22          2HB       CYS  22  -5.506  -0.974   1.737
  134   2HB   CYS  22          1HB       CYS  22  -6.166   0.643   1.950
  135    H    SER  23           H        SER  23  -2.150   2.194   1.192
  136    HA   SER  23           HA       SER  23  -3.730   4.629   1.073
  137   1HB   SER  23          2HB       SER  23  -0.719   4.348   0.960
  138   2HB   SER  23          1HB       SER  23  -1.654   5.773   1.422
  139    HG   SER  23           HG       SER  23  -2.489   3.986   3.056
  140    H    LYS  24           H        LYS  24  -3.240   2.472  -1.136
  141    HA   LYS  24           HA       LYS  24  -3.200   4.341  -3.349
  142   1HB   LYS  24          2HB       LYS  24  -1.091   2.197  -3.004
  143   2HB   LYS  24          1HB       LYS  24  -1.459   2.935  -4.556
  144   1HG   LYS  24          2HG       LYS  24  -0.580   4.499  -2.146
  145   2HG   LYS  24          1HG       LYS  24   0.530   3.867  -3.364
  146   1HD   LYS  24          2HD       LYS  24  -0.470   5.207  -5.071
  147   2HD   LYS  24          1HD       LYS  24  -1.795   5.678  -4.003
  148   1HE   LYS  24          2HE       LYS  24   1.111   6.378  -3.594
  149   2HE   LYS  24          1HE       LYS  24  -0.110   7.457  -4.269
  150   1HZ   LYS  24          1HZ       LYS  24   0.479   6.938  -1.562
  151   2HZ   LYS  24          2HZ       LYS  24  -1.124   6.484  -1.870
  152   3HZ   LYS  24          3HZ       LYS  24  -0.606   8.061  -2.211
  153    H    TYR  25           H        TYR  25  -5.365   3.013  -2.583
  154    HA   TYR  25           HA       TYR  25  -5.907   0.432  -3.241
  155   1HB   TYR  25          2HB       TYR  25  -7.506   2.159  -2.320
  156   2HB   TYR  25          1HB       TYR  25  -7.729   2.735  -3.967
  157    HD1  TYR  25           1HD      TYR  25  -7.837  -0.506  -2.097
  158    HD2  TYR  25           2HD      TYR  25  -9.587   1.960  -5.090
  159    HE1  TYR  25           1HE      TYR  25  -9.607  -2.179  -2.431
  160    HE2  TYR  25           2HE      TYR  25 -11.364   0.293  -5.431
  161    HH   TYR  25           HH       TYR  25 -12.312  -1.583  -4.622
  162    HA   PRO  26           HA       PRO  26  -6.741  -1.046  -4.014
  163   1HB   PRO  26          2HB       PRO  26  -6.822  -3.182  -5.604
  164   2HB   PRO  26          1HB       PRO  26  -8.063  -1.928  -5.688
  165   1HG   PRO  26          2HG       PRO  26  -5.852  -2.519  -7.566
  166   2HG   PRO  26          1HG       PRO  26  -7.424  -1.769  -7.880
  167   1HD   PRO  26          2HD       PRO  26  -4.896  -0.473  -7.473
  168   2HD   PRO  26          1HD       PRO  26  -6.475   0.282  -7.763
  169    H    LEU  27           H        LEU  27  -3.897  -0.225  -4.328
  170    HA   LEU  27           HA       LEU  27  -2.718  -2.844  -3.718
  171   1HB   LEU  27          2HB       LEU  27  -0.528  -1.964  -4.581
  172   2HB   LEU  27          1HB       LEU  27  -1.738  -2.333  -5.792
  173    HG   LEU  27           HG       LEU  27  -1.633   0.472  -4.862
  174   1HD1  LEU  27          1HD1      LEU  27   0.615  -0.914  -6.245
  175   2HD1  LEU  27          2HD1      LEU  27   0.658   0.364  -5.031
  176   3HD1  LEU  27          3HD1      LEU  27   0.215   0.744  -6.696
  177   1HD2  LEU  27          1HD2      LEU  27  -1.519   0.024  -7.696
  178   2HD2  LEU  27          2HD2      LEU  27  -2.803   0.756  -6.733
  179   3HD2  LEU  27          3HD2      LEU  27  -2.767  -0.990  -6.972
  180    H    CYS  28           H        CYS  28  -1.393  -2.964  -1.964
  181    HA   CYS  28           HA       CYS  28  -1.639  -0.770  -0.095
  182   1HB   CYS  28          2HB       CYS  28  -0.416  -3.512   0.243
  183   2HB   CYS  28          1HB       CYS  28  -0.715  -2.357   1.535
  184    H    ALA  29           H        ALA  29   0.058   0.158   1.040
  185    HA   ALA  29           HA       ALA  29   2.687   0.021  -0.284
  186   1HB   ALA  29          1HB       ALA  29   2.876   2.426   0.680
  187   2HB   ALA  29          2HB       ALA  29   1.116   2.352   0.749
  188   3HB   ALA  29          3HB       ALA  29   1.946   2.162  -0.795
  189    H    LYS  30           H        LYS  30   4.394  -0.402   1.008
  190    HA   LYS  30           HA       LYS  30   3.920  -1.117   3.762
  191   1HB   LYS  30          2HB       LYS  30   5.406  -2.453   2.307
  192   2HB   LYS  30          1HB       LYS  30   6.480  -1.074   2.140
  193   1HG   LYS  30          2HG       LYS  30   7.511  -2.455   3.712
  194   2HG   LYS  30          1HG       LYS  30   6.752  -1.184   4.670
  195   1HD   LYS  30          2HD       LYS  30   6.403  -3.369   5.691
  196   2HD   LYS  30          1HD       LYS  30   4.873  -2.675   5.158
  197   1HE   LYS  30          2HE       LYS  30   5.020  -5.061   4.628
  198   2HE   LYS  30          1HE       LYS  30   4.899  -4.075   3.173
  199   1HZ   LYS  30          1HZ       LYS  30   7.534  -4.925   4.186
  200   2HZ   LYS  30          2HZ       LYS  30   7.092  -4.486   2.611
  201   3HZ   LYS  30          3HZ       LYS  30   6.598  -5.975   3.246
  202    H    ASN  31           H        ASN  31   3.364   0.810   4.697
  203    HA   ASN  31           HA       ASN  31   3.626   2.779   5.762
  204   1HB   ASN  31          2HB       ASN  31   5.525   1.454   6.812
  205   2HB   ASN  31          1HB       ASN  31   6.605   2.251   5.674
  206   1HD2  ASN  31          1HD2      ASN  31   7.644   3.891   6.532
  207   2HD2  ASN  31          2HD2      ASN  31   7.045   4.958   7.747
  Start of MODEL   10
    1    H    GLY   1           H        GLY   1   3.495   2.592   3.530
    2   1HA   GLY   1          2HA       GLY   1   3.288   4.616   2.294
    3   2HA   GLY   1          1HA       GLY   1   4.860   5.112   2.902
    4    H    SER   2           H        SER   2   6.011   2.437   2.256
    5    HA   SER   2           HA       SER   2   6.661   3.050  -0.499
    6   1HB   SER   2          2HB       SER   2   7.752   0.914   1.346
    7   2HB   SER   2          1HB       SER   2   8.411   1.347  -0.233
    8    HG   SER   2           HG       SER   2   8.224   3.040   2.042
    9    H    ILE   3           H        ILE   3   4.969   2.453  -1.782
   10    HA   ILE   3           HA       ILE   3   3.428   0.131  -1.536
   11    HB   ILE   3           HB       ILE   3   3.989   1.750  -4.028
   12   1HG1  ILE   3          2HG1      ILE   3   1.513   2.427  -3.497
   13   2HG1  ILE   3          1HG1      ILE   3   1.916   1.905  -1.866
   14   1HG2  ILE   3          1HG2      ILE   3   1.829   0.712  -4.827
   15   2HG2  ILE   3          2HG2      ILE   3   2.016  -0.458  -3.520
   16   3HG2  ILE   3          3HG2      ILE   3   3.237  -0.350  -4.787
   17   1HD1  ILE   3          1HD1      ILE   3   2.516   4.368  -3.188
   18   2HD1  ILE   3          2HD1      ILE   3   4.007   3.579  -2.673
   19   3HD1  ILE   3          3HD1      ILE   3   2.738   3.920  -1.496
   20    HA   PRO   4           HA       PRO   4   6.261  -1.873  -5.024
   21   1HB   PRO   4          2HB       PRO   4   8.867  -0.941  -4.926
   22   2HB   PRO   4          1HB       PRO   4   7.658  -0.457  -6.119
   23   1HG   PRO   4          2HG       PRO   4   8.507   0.929  -3.609
   24   2HG   PRO   4          1HG       PRO   4   8.138   1.617  -5.203
   25   1HD   PRO   4          2HD       PRO   4   6.377   1.761  -3.201
   26   2HD   PRO   4          1HD       PRO   4   5.842   1.468  -4.870
   27    H    ALA   5           H        ALA   5   7.514  -0.824  -1.918
   28    HA   ALA   5           HA       ALA   5   9.284  -2.993  -1.507
   29   1HB   ALA   5          1HB       ALA   5   8.666  -2.227   1.013
   30   2HB   ALA   5          2HB       ALA   5   8.206  -0.787   0.104
   31   3HB   ALA   5          3HB       ALA   5   9.850  -1.415  -0.013
   32    H    CYS   6           H        CYS   6   5.875  -2.489  -0.737
   33    HA   CYS   6           HA       CYS   6   5.698  -4.978   0.707
   34   1HB   CYS   6          2HB       CYS   6   4.290  -2.971   1.246
   35   2HB   CYS   6          1HB       CYS   6   3.421  -3.248  -0.261
   36    H    GLY   7           H        GLY   7   4.400  -3.744  -2.380
   37   1HA   GLY   7          2HA       GLY   7   4.082  -4.909  -4.363
   38   2HA   GLY   7          1HA       GLY   7   4.659  -6.365  -3.568
   39    H    GLU   8           H        GLU   8   2.782  -6.216  -1.376
   40    HA   GLU   8           HA       GLU   8   0.707  -7.778  -2.343
   41   1HB   GLU   8          2HB       GLU   8   1.485  -7.554   0.048
   42   2HB   GLU   8          1HB       GLU   8   0.567  -6.057   0.132
   43   1HG   GLU   8          2HG       GLU   8  -1.477  -7.338  -0.435
   44   2HG   GLU   8          1HG       GLU   8  -0.521  -8.817  -0.362
   45    H    SER   9           H        SER   9  -1.279  -7.401  -3.133
   46    HA   SER   9           HA       SER   9  -1.998  -4.624  -3.697
   47   1HB   SER   9          2HB       SER   9  -3.237  -7.152  -4.805
   48   2HB   SER   9          1HB       SER   9  -3.409  -5.512  -5.433
   49    HG   SER   9           HG       SER   9  -0.814  -6.080  -5.279
   50    H    CYS  10           H        CYS  10  -3.672  -3.650  -2.689
   51    HA   CYS  10           HA       CYS  10  -5.174  -5.206  -0.750
   52   1HB   CYS  10          2HB       CYS  10  -6.088  -2.939  -0.088
   53   2HB   CYS  10          1HB       CYS  10  -4.370  -3.176   0.159
   54    H    PHE  11           H        PHE  11  -7.239  -5.742  -0.908
   55    HA   PHE  11           HA       PHE  11  -8.648  -4.970  -3.356
   56   1HB   PHE  11          2HB       PHE  11  -8.906  -7.336  -1.511
   57   2HB   PHE  11          1HB       PHE  11 -10.191  -6.914  -2.637
   58    HD1  PHE  11           1HD      PHE  11  -6.499  -7.480  -2.617
   59    HD2  PHE  11           2HD      PHE  11 -10.191  -7.896  -4.691
   60    HE1  PHE  11           1HE      PHE  11  -5.346  -8.714  -4.409
   61    HE2  PHE  11           2HE      PHE  11  -9.047  -9.136  -6.487
   62    HZ   PHE  11           HZ       PHE  11  -6.622  -9.545  -6.346
   63    H    LYS  12           H        LYS  12 -11.090  -6.073  -1.806
   64    HA   LYS  12           HA       LYS  12 -11.981  -3.476  -0.902
   65   1HB   LYS  12          2HB       LYS  12 -13.471  -6.108  -0.962
   66   2HB   LYS  12          1HB       LYS  12 -14.179  -4.517  -0.717
   67   1HG   LYS  12          2HG       LYS  12 -12.847  -5.524  -3.223
   68   2HG   LYS  12          1HG       LYS  12 -14.573  -5.250  -2.977
   69   1HD   LYS  12          2HD       LYS  12 -14.135  -2.861  -2.646
   70   2HD   LYS  12          1HD       LYS  12 -12.415  -3.140  -2.910
   71   1HE   LYS  12          2HE       LYS  12 -13.438  -2.286  -4.932
   72   2HE   LYS  12          1HE       LYS  12 -12.913  -3.952  -5.176
   73   1HZ   LYS  12          1HZ       LYS  12 -15.277  -4.586  -4.631
   74   2HZ   LYS  12          2HZ       LYS  12 -15.045  -3.798  -6.109
   75   3HZ   LYS  12          3HZ       LYS  12 -15.670  -2.948  -4.788
   76    H    GLY  13           H        GLY  13 -10.034  -4.039   0.768
   77   1HA   GLY  13          2HA       GLY  13 -11.249  -4.055   3.296
   78   2HA   GLY  13          1HA       GLY  13 -10.618  -5.664   2.984
   79    H    LYS  14           H        LYS  14  -9.215  -5.351   4.775
   80    HA   LYS  14           HA       LYS  14  -7.160  -3.333   4.588
   81   1HB   LYS  14          2HB       LYS  14  -6.431  -4.344   6.775
   82   2HB   LYS  14          1HB       LYS  14  -8.070  -3.707   6.766
   83   1HG   LYS  14          2HG       LYS  14  -8.292  -5.720   7.888
   84   2HG   LYS  14          1HG       LYS  14  -8.774  -6.138   6.246
   85   1HD   LYS  14          2HD       LYS  14  -6.251  -6.719   5.960
   86   2HD   LYS  14          1HD       LYS  14  -6.278  -6.803   7.711
   87   1HE   LYS  14          2HE       LYS  14  -6.670  -9.004   7.000
   88   2HE   LYS  14          1HE       LYS  14  -8.259  -8.384   7.448
   89   1HZ   LYS  14          1HZ       LYS  14  -7.739  -9.591   5.128
   90   2HZ   LYS  14          2HZ       LYS  14  -7.489  -7.978   4.677
   91   3HZ   LYS  14          3HZ       LYS  14  -8.977  -8.456   5.331
   92    H    CYS  15           H        CYS  15  -4.900  -3.877   4.718
   93    HA   CYS  15           HA       CYS  15  -4.122  -5.875   2.843
   94   1HB   CYS  15          2HB       CYS  15  -2.416  -4.216   4.716
   95   2HB   CYS  15          1HB       CYS  15  -1.832  -5.132   3.330
   96    H    TYR  16           H        TYR  16  -2.682  -7.663   3.264
   97    HA   TYR  16           HA       TYR  16  -3.323  -8.934   5.811
   98   1HB   TYR  16          2HB       TYR  16  -2.129 -10.016   3.255
   99   2HB   TYR  16          1HB       TYR  16  -2.321 -10.977   4.717
  100    HD1  TYR  16           1HD      TYR  16  -4.372  -8.760   2.503
  101    HD2  TYR  16           2HD      TYR  16  -4.220 -12.273   4.899
  102    HE1  TYR  16           1HE      TYR  16  -6.688  -9.281   1.872
  103    HE2  TYR  16           2HE      TYR  16  -6.536 -12.806   4.270
  104    HH   TYR  16           HH       TYR  16  -8.063 -12.020   1.992
  105    H    THR  17           H        THR  17  -0.530  -8.009   3.871
  106    HA   THR  17           HA       THR  17   1.398  -8.975   5.720
  107    HB   THR  17           HB       THR  17   1.715  -6.887   3.554
  108    HG1  THR  17           1HG      THR  17   0.981  -8.946   2.780
  109   1HG2  THR  17          1HG2      THR  17   3.543  -7.947   5.526
  110   2HG2  THR  17          2HG2      THR  17   3.790  -6.657   4.347
  111   3HG2  THR  17          3HG2      THR  17   4.083  -8.335   3.892
  112    HA   PRO  18           HA       PRO  18   0.758  -5.799   8.823
  113   1HB   PRO  18          2HB       PRO  18   3.368  -6.857   9.749
  114   2HB   PRO  18          1HB       PRO  18   1.862  -6.643  10.643
  115   1HG   PRO  18          2HG       PRO  18   2.685  -9.071   9.885
  116   2HG   PRO  18          1HG       PRO  18   0.967  -8.635   9.883
  117   1HD   PRO  18          2HD       PRO  18   2.863  -8.892   7.594
  118   2HD   PRO  18          1HD       PRO  18   1.131  -9.277   7.678
  119    H    GLY  19           H        GLY  19   1.334  -3.739   8.767
  120   1HA   GLY  19          2HA       GLY  19   2.959  -1.986   8.792
  121   2HA   GLY  19          1HA       GLY  19   4.044  -3.030   7.882
  122    H    CYS  20           H        CYS  20   1.651  -3.794   6.135
  123    HA   CYS  20           HA       CYS  20   2.001  -1.540   4.317
  124   1HB   CYS  20          2HB       CYS  20   0.598  -4.156   3.796
  125   2HB   CYS  20          1HB       CYS  20   1.076  -2.958   2.606
  126    H    SER  21           H        SER  21   0.365  -0.318   3.512
  127    HA   SER  21           HA       SER  21  -2.333  -0.724   4.591
  128   1HB   SER  21          2HB       SER  21  -0.895   1.944   4.533
  129   2HB   SER  21          1HB       SER  21  -2.525   1.643   5.138
  130    HG   SER  21           HG       SER  21  -0.822  -0.024   6.348
  131    H    CYS  22           H        CYS  22  -3.986  -0.061   3.201
  132    HA   CYS  22           HA       CYS  22  -3.306   0.036   0.433
  133   1HB   CYS  22          2HB       CYS  22  -5.382  -1.026   1.478
  134   2HB   CYS  22          1HB       CYS  22  -6.027   0.605   1.610
  135    H    SER  23           H        SER  23  -1.918   2.021   0.918
  136    HA   SER  23           HA       SER  23  -3.069   4.551   1.337
  137   1HB   SER  23          2HB       SER  23  -0.485   3.867  -0.094
  138   2HB   SER  23          1HB       SER  23  -0.911   5.432   0.604
  139    HG   SER  23           HG       SER  23  -0.790   4.566   2.626
  140    H    LYS  24           H        LYS  24  -2.778   2.569  -1.486
  141    HA   LYS  24           HA       LYS  24  -4.438   4.397  -2.961
  142   1HB   LYS  24          2HB       LYS  24  -2.903   4.397  -4.958
  143   2HB   LYS  24          1HB       LYS  24  -2.363   5.374  -3.603
  144   1HG   LYS  24          2HG       LYS  24  -0.784   3.645  -2.957
  145   2HG   LYS  24          1HG       LYS  24  -1.356   2.613  -4.269
  146   1HD   LYS  24          2HD       LYS  24   0.715   3.734  -4.893
  147   2HD   LYS  24          1HD       LYS  24  -0.623   4.287  -5.901
  148   1HE   LYS  24          2HE       LYS  24  -0.841   6.287  -4.498
  149   2HE   LYS  24          1HE       LYS  24   0.508   5.734  -3.507
  150   1HZ   LYS  24          1HZ       LYS  24   0.520   6.976  -6.120
  151   2HZ   LYS  24          2HZ       LYS  24   1.582   5.670  -5.956
  152   3HZ   LYS  24          3HZ       LYS  24   1.700   6.992  -4.907
  153    H    TYR  25           H        TYR  25  -5.973   3.084  -3.539
  154    HA   TYR  25           HA       TYR  25  -5.804   0.301  -3.771
  155   1HB   TYR  25          2HB       TYR  25  -7.882   1.670  -3.379
  156   2HB   TYR  25          1HB       TYR  25  -7.838   2.127  -5.076
  157    HD1  TYR  25           1HD      TYR  25  -7.869  -0.938  -2.934
  158    HD2  TYR  25           2HD      TYR  25  -9.084   0.891  -6.578
  159    HE1  TYR  25           1HE      TYR  25  -9.174  -2.943  -3.499
  160    HE2  TYR  25           2HE      TYR  25 -10.392  -1.110  -7.152
  161    HH   TYR  25           HH       TYR  25 -10.035  -3.880  -6.175
  162    HA   PRO  26           HA       PRO  26  -6.056  -1.342  -4.484
  163   1HB   PRO  26          2HB       PRO  26  -5.714  -3.513  -5.997
  164   2HB   PRO  26          1HB       PRO  26  -7.066  -2.411  -6.288
  165   1HG   PRO  26          2HG       PRO  26  -4.645  -2.857  -7.903
  166   2HG   PRO  26          1HG       PRO  26  -6.191  -2.134  -8.376
  167   1HD   PRO  26          2HD       PRO  26  -3.723  -0.812  -7.526
  168   2HD   PRO  26          1HD       PRO  26  -5.175  -0.101  -8.263
  169    H    LEU  27           H        LEU  27  -3.426  -0.203  -4.241
  170    HA   LEU  27           HA       LEU  27  -1.843  -2.654  -3.858
  171   1HB   LEU  27          2HB       LEU  27  -0.904   0.039  -4.802
  172   2HB   LEU  27          1HB       LEU  27   0.178  -1.243  -4.283
  173    HG   LEU  27           HG       LEU  27  -1.834  -1.696  -6.439
  174   1HD1  LEU  27          1HD1      LEU  27  -0.719   0.035  -7.469
  175   2HD1  LEU  27          2HD1      LEU  27   0.298  -1.331  -7.931
  176   3HD1  LEU  27          3HD1      LEU  27   0.784  -0.279  -6.601
  177   1HD2  LEU  27          1HD2      LEU  27   0.749  -3.014  -6.598
  178   2HD2  LEU  27          2HD2      LEU  27  -0.877  -3.697  -6.650
  179   3HD2  LEU  27          3HD2      LEU  27  -0.108  -3.367  -5.098
  180    H    CYS  28           H        CYS  28  -0.829  -2.960  -2.038
  181    HA   CYS  28           HA       CYS  28  -1.359  -1.144   0.172
  182   1HB   CYS  28          2HB       CYS  28  -0.171  -3.921   0.047
  183   2HB   CYS  28          1HB       CYS  28  -0.297  -2.992   1.536
  184    H    ALA  29           H        ALA  29   0.071   0.215   0.977
  185    HA   ALA  29           HA       ALA  29   2.794   0.192  -0.078
  186   1HB   ALA  29          1HB       ALA  29   2.925   2.458   0.908
  187   2HB   ALA  29          2HB       ALA  29   1.265   2.274   1.478
  188   3HB   ALA  29          3HB       ALA  29   1.608   2.286  -0.253
  189    H    LYS  30           H        LYS  30   4.442  -0.526   1.098
  190    HA   LYS  30           HA       LYS  30   4.037  -1.392   3.822
  191   1HB   LYS  30          2HB       LYS  30   5.414  -2.676   2.201
  192   2HB   LYS  30          1HB       LYS  30   6.556  -1.341   2.137
  193   1HG   LYS  30          2HG       LYS  30   7.551  -2.848   3.592
  194   2HG   LYS  30          1HG       LYS  30   6.777  -1.691   4.677
  195   1HD   LYS  30          2HD       LYS  30   4.910  -3.190   5.001
  196   2HD   LYS  30          1HD       LYS  30   5.574  -4.319   3.821
  197   1HE   LYS  30          2HE       LYS  30   7.599  -4.494   5.313
  198   2HE   LYS  30          1HE       LYS  30   6.676  -3.603   6.525
  199   1HZ   LYS  30          1HZ       LYS  30   5.609  -6.065   5.288
  200   2HZ   LYS  30          2HZ       LYS  30   5.150  -5.334   6.744
  201   3HZ   LYS  30          3HZ       LYS  30   6.639  -6.134   6.629
  202    H    ASN  31           H        ASN  31   3.674   0.436   5.006
  203    HA   ASN  31           HA       ASN  31   4.103   2.319   6.185
  204   1HB   ASN  31          2HB       ASN  31   6.190   0.827   6.739
  205   2HB   ASN  31          1HB       ASN  31   7.057   1.975   5.727
  206   1HD2  ASN  31          1HD2      ASN  31   6.455   1.261   8.796
  207   2HD2  ASN  31          2HD2      ASN  31   6.510   2.829   9.514
  Start of MODEL   11
    1    H    GLY   1           H        GLY   1   3.253   2.847   3.007
    2   1HA   GLY   1          2HA       GLY   1   2.986   4.757   1.601
    3   2HA   GLY   1          1HA       GLY   1   4.558   5.327   2.134
    4    H    SER   2           H        SER   2   5.812   2.678   1.724
    5    HA   SER   2           HA       SER   2   6.257   2.993  -1.134
    6   1HB   SER   2          2HB       SER   2   8.189   2.880   0.416
    7   2HB   SER   2          1HB       SER   2   7.715   1.240   0.857
    8    HG   SER   2           HG       SER   2   9.355   1.731  -0.961
    9    H    ILE   3           H        ILE   3   4.910   1.926  -2.420
   10    HA   ILE   3           HA       ILE   3   3.516  -0.427  -1.688
   11    HB   ILE   3           HB       ILE   3   3.963   0.734  -4.441
   12   1HG1  ILE   3          2HG1      ILE   3   1.666   0.983  -2.487
   13   2HG1  ILE   3          1HG1      ILE   3   2.784   2.262  -2.949
   14   1HG2  ILE   3          1HG2      ILE   3   1.771  -0.611  -4.844
   15   2HG2  ILE   3          2HG2      ILE   3   2.317  -1.563  -3.464
   16   3HG2  ILE   3          3HG2      ILE   3   3.327  -1.439  -4.904
   17   1HD1  ILE   3          1HD1      ILE   3   1.528   2.802  -4.683
   18   2HD1  ILE   3          2HD1      ILE   3   0.326   1.649  -4.102
   19   3HD1  ILE   3          3HD1      ILE   3   1.540   1.141  -5.276
   20    HA   PRO   4           HA       PRO   4   6.709  -2.639  -4.763
   21   1HB   PRO   4          2HB       PRO   4   9.226  -1.471  -4.500
   22   2HB   PRO   4          1HB       PRO   4   8.148  -1.295  -5.888
   23   1HG   PRO   4          2HG       PRO   4   8.568   0.536  -3.569
   24   2HG   PRO   4          1HG       PRO   4   8.311   0.929  -5.279
   25   1HD   PRO   4          2HD       PRO   4   6.340   1.195  -3.503
   26   2HD   PRO   4          1HD       PRO   4   6.014   0.582  -5.138
   27    H    ALA   5           H        ALA   5   7.667  -1.079  -1.747
   28    HA   ALA   5           HA       ALA   5   9.460  -3.072  -0.865
   29   1HB   ALA   5          1HB       ALA   5   9.749  -1.190   0.376
   30   2HB   ALA   5          2HB       ALA   5   8.658  -2.053   1.459
   31   3HB   ALA   5          3HB       ALA   5   8.029  -0.801   0.389
   32    H    CYS   6           H        CYS   6   5.978  -2.656  -0.502
   33    HA   CYS   6           HA       CYS   6   5.732  -4.967   1.210
   34   1HB   CYS   6          2HB       CYS   6   4.218  -2.929   1.312
   35   2HB   CYS   6          1HB       CYS   6   3.488  -3.504  -0.183
   36    H    GLY   7           H        GLY   7   4.828  -4.110  -2.118
   37   1HA   GLY   7          2HA       GLY   7   4.516  -5.415  -3.983
   38   2HA   GLY   7          1HA       GLY   7   5.393  -6.687  -3.143
   39    H    GLU   8           H        GLU   8   2.367  -5.118  -2.200
   40    HA   GLU   8           HA       GLU   8   0.910  -7.593  -2.757
   41   1HB   GLU   8          2HB       GLU   8   1.641  -7.736  -0.425
   42   2HB   GLU   8          1HB       GLU   8   0.939  -6.159  -0.094
   43   1HG   GLU   8          2HG       GLU   8  -1.284  -7.166  -0.772
   44   2HG   GLU   8          1HG       GLU   8  -0.476  -8.731  -0.702
   45    H    SER   9           H        SER   9  -1.242  -7.320  -3.222
   46    HA   SER   9           HA       SER   9  -2.140  -4.547  -3.554
   47   1HB   SER   9          2HB       SER   9  -2.118  -5.909  -5.610
   48   2HB   SER   9          1HB       SER   9  -3.168  -7.097  -4.839
   49    HG   SER   9           HG       SER   9  -3.875  -4.367  -5.202
   50    H    CYS  10           H        CYS  10  -3.974  -3.832  -2.529
   51    HA   CYS  10           HA       CYS  10  -4.994  -5.547  -0.423
   52   1HB   CYS  10          2HB       CYS  10  -6.319  -3.321   0.048
   53   2HB   CYS  10          1HB       CYS  10  -4.618  -3.461   0.465
   54    H    PHE  11           H        PHE  11  -5.791  -4.760  -3.566
   55    HA   PHE  11           HA       PHE  11  -7.504  -5.242  -4.948
   56   1HB   PHE  11          2HB       PHE  11  -7.433  -7.449  -3.897
   57   2HB   PHE  11          1HB       PHE  11  -8.520  -6.894  -2.630
   58    HD1  PHE  11           1HD      PHE  11  -8.555  -6.585  -6.353
   59    HD2  PHE  11           2HD      PHE  11 -10.566  -7.901  -2.839
   60    HE1  PHE  11           1HE      PHE  11 -10.488  -7.258  -7.716
   61    HE2  PHE  11           2HE      PHE  11 -12.502  -8.578  -4.197
   62    HZ   PHE  11           HZ       PHE  11 -12.465  -8.258  -6.638
   63    H    LYS  12           H        LYS  12  -9.185  -5.066  -1.800
   64    HA   LYS  12           HA       LYS  12 -10.386  -2.549  -2.349
   65   1HB   LYS  12          2HB       LYS  12 -11.652  -3.894  -3.973
   66   2HB   LYS  12          1HB       LYS  12 -12.121  -5.012  -2.706
   67   1HG   LYS  12          2HG       LYS  12 -13.905  -3.433  -3.377
   68   2HG   LYS  12          1HG       LYS  12 -13.497  -3.359  -1.662
   69   1HD   LYS  12          2HD       LYS  12 -11.891  -1.447  -2.414
   70   2HD   LYS  12          1HD       LYS  12 -12.937  -1.384  -3.836
   71   1HE   LYS  12          2HE       LYS  12 -13.676   0.195  -2.130
   72   2HE   LYS  12          1HE       LYS  12 -14.882  -1.063  -2.397
   73   1HZ   LYS  12          1HZ       LYS  12 -14.825  -1.365  -0.207
   74   2HZ   LYS  12          2HZ       LYS  12 -13.439  -0.415  -0.018
   75   3HZ   LYS  12          3HZ       LYS  12 -13.290  -2.057  -0.406
   76    H    GLY  13           H        GLY  13  -9.014  -4.126  -0.213
   77   1HA   GLY  13          2HA       GLY  13 -10.678  -3.216   1.942
   78   2HA   GLY  13          1HA       GLY  13 -10.608  -4.967   1.843
   79    H    LYS  14           H        LYS  14  -9.540  -5.318   3.711
   80    HA   LYS  14           HA       LYS  14  -7.219  -3.883   4.492
   81   1HB   LYS  14          2HB       LYS  14  -7.042  -5.733   6.229
   82   2HB   LYS  14          1HB       LYS  14  -8.502  -4.761   6.257
   83   1HG   LYS  14          2HG       LYS  14  -9.227  -6.957   6.593
   84   2HG   LYS  14          1HG       LYS  14  -9.585  -6.627   4.901
   85   1HD   LYS  14          2HD       LYS  14  -7.497  -7.781   4.268
   86   2HD   LYS  14          1HD       LYS  14  -7.219  -8.159   5.965
   87   1HE   LYS  14          2HE       LYS  14  -9.304  -9.436   6.024
   88   2HE   LYS  14          1HE       LYS  14  -9.590  -9.048   4.328
   89   1HZ   LYS  14          1HZ       LYS  14  -8.175 -10.624   3.658
   90   2HZ   LYS  14          2HZ       LYS  14  -8.300 -11.244   5.229
   91   3HZ   LYS  14          3HZ       LYS  14  -7.013 -10.225   4.824
   92    H    CYS  15           H        CYS  15  -5.094  -4.590   4.639
   93    HA   CYS  15           HA       CYS  15  -4.271  -6.322   2.466
   94   1HB   CYS  15          2HB       CYS  15  -2.575  -4.784   4.444
   95   2HB   CYS  15          1HB       CYS  15  -2.030  -5.510   2.936
   96    H    TYR  16           H        TYR  16  -2.067  -7.571   3.218
   97    HA   TYR  16           HA       TYR  16  -2.898  -9.227   5.514
   98   1HB   TYR  16          2HB       TYR  16  -1.538 -10.058   2.946
   99   2HB   TYR  16          1HB       TYR  16  -1.681 -11.108   4.354
  100    HD1  TYR  16           1HD      TYR  16  -3.523 -12.500   4.533
  101    HD2  TYR  16           2HD      TYR  16  -3.797  -9.049   2.061
  102    HE1  TYR  16           1HE      TYR  16  -5.762 -13.204   3.805
  103    HE2  TYR  16           2HE      TYR  16  -6.034  -9.745   1.325
  104    HH   TYR  16           HH       TYR  16  -7.273 -12.175   1.209
  105    H    THR  17           H        THR  17  -0.082  -8.066   3.677
  106    HA   THR  17           HA       THR  17   1.826  -8.928   5.577
  107    HB   THR  17           HB       THR  17   2.087  -6.709   3.541
  108    HG1  THR  17           1HG      THR  17   1.577  -8.641   2.502
  109   1HG2  THR  17          1HG2      THR  17   3.808  -6.964   5.473
  110   2HG2  THR  17          2HG2      THR  17   4.395  -6.816   3.817
  111   3HG2  THR  17          3HG2      THR  17   4.329  -8.400   4.591
  112    HA   PRO  18           HA       PRO  18   0.888  -6.015   8.835
  113   1HB   PRO  18          2HB       PRO  18   3.283  -6.516  10.169
  114   2HB   PRO  18          1HB       PRO  18   1.769  -7.391  10.408
  115   1HG   PRO  18          2HG       PRO  18   4.144  -8.123   8.759
  116   2HG   PRO  18          1HG       PRO  18   3.082  -9.163   9.728
  117   1HD   PRO  18          2HD       PRO  18   2.883  -9.065   7.059
  118   2HD   PRO  18          1HD       PRO  18   1.441  -9.226   8.086
  119    H    GLY  19           H        GLY  19   1.269  -3.911   8.961
  120   1HA   GLY  19          2HA       GLY  19   2.657  -1.999   9.110
  121   2HA   GLY  19          1HA       GLY  19   3.908  -2.871   8.236
  122    H    CYS  20           H        CYS  20   1.589  -3.740   6.334
  123    HA   CYS  20           HA       CYS  20   1.969  -1.440   4.590
  124   1HB   CYS  20          2HB       CYS  20   0.616  -4.073   3.996
  125   2HB   CYS  20          1HB       CYS  20   1.076  -2.844   2.826
  126    H    SER  21           H        SER  21   0.313  -0.264   3.650
  127    HA   SER  21           HA       SER  21  -2.387  -0.638   4.741
  128   1HB   SER  21          2HB       SER  21  -0.967   2.032   4.559
  129   2HB   SER  21          1HB       SER  21  -2.594   1.748   5.179
  130    HG   SER  21           HG       SER  21  -0.941   0.141   6.485
  131    H    CYS  22           H        CYS  22  -4.025  -0.184   3.322
  132    HA   CYS  22           HA       CYS  22  -3.368  -0.043   0.536
  133   1HB   CYS  22          2HB       CYS  22  -5.282  -1.357   1.569
  134   2HB   CYS  22          1HB       CYS  22  -6.114   0.177   1.783
  135    H    SER  23           H        SER  23  -2.272   2.162   1.405
  136    HA   SER  23           HA       SER  23  -3.967   4.448   1.490
  137   1HB   SER  23          2HB       SER  23  -0.988   4.337   0.954
  138   2HB   SER  23          1HB       SER  23  -1.911   5.713   1.563
  139    HG   SER  23           HG       SER  23  -2.134   4.737   3.490
  140    H    LYS  24           H        LYS  24  -2.157   2.800  -1.028
  141    HA   LYS  24           HA       LYS  24  -3.150   4.784  -2.955
  142   1HB   LYS  24          2HB       LYS  24  -0.775   2.945  -3.276
  143   2HB   LYS  24          1HB       LYS  24  -1.285   4.203  -4.396
  144   1HG   LYS  24          2HG       LYS  24  -0.917   5.846  -2.505
  145   2HG   LYS  24          1HG       LYS  24  -0.117   4.529  -1.649
  146   1HD   LYS  24          2HD       LYS  24   1.534   5.879  -2.786
  147   2HD   LYS  24          1HD       LYS  24   1.448   4.287  -3.540
  148   1HE   LYS  24          2HE       LYS  24   0.044   5.199  -5.318
  149   2HE   LYS  24          1HE       LYS  24   0.101   6.789  -4.557
  150   1HZ   LYS  24          1HZ       LYS  24   2.524   6.770  -4.875
  151   2HZ   LYS  24          2HZ       LYS  24   1.684   6.686  -6.341
  152   3HZ   LYS  24          3HZ       LYS  24   2.400   5.296  -5.698
  153    H    TYR  25           H        TYR  25  -5.120   3.469  -2.692
  154    HA   TYR  25           HA       TYR  25  -5.573   0.875  -3.396
  155   1HB   TYR  25          2HB       TYR  25  -7.276   2.500  -2.590
  156   2HB   TYR  25          1HB       TYR  25  -7.281   3.249  -4.182
  157    HD1  TYR  25           1HD      TYR  25  -8.749   2.481  -5.824
  158    HD2  TYR  25           2HD      TYR  25  -7.906   0.009  -2.465
  159    HE1  TYR  25           1HE      TYR  25 -10.483   0.900  -6.558
  160    HE2  TYR  25           2HE      TYR  25  -9.633  -1.577  -3.193
  161    HH   TYR  25           HH       TYR  25 -10.716  -2.196  -5.454
  162    HA   PRO  26           HA       PRO  26  -6.422  -0.563  -4.268
  163   1HB   PRO  26          2HB       PRO  26  -6.450  -2.668  -5.910
  164   2HB   PRO  26          1HB       PRO  26  -7.637  -1.368  -6.067
  165   1HG   PRO  26          2HG       PRO  26  -5.318  -2.015  -7.782
  166   2HG   PRO  26          1HG       PRO  26  -6.819  -1.170  -8.191
  167   1HD   PRO  26          2HD       PRO  26  -4.258  -0.032  -7.538
  168   2HD   PRO  26          1HD       PRO  26  -5.758   0.815  -7.962
  169    H    LEU  27           H        LEU  27  -3.493   0.168  -4.645
  170    HA   LEU  27           HA       LEU  27  -2.331  -2.480  -4.136
  171   1HB   LEU  27          2HB       LEU  27  -1.108   0.087  -5.105
  172   2HB   LEU  27          1HB       LEU  27  -0.138  -1.252  -4.516
  173    HG   LEU  27           HG       LEU  27  -2.129  -1.602  -6.721
  174   1HD1  LEU  27          1HD1      LEU  27  -0.842  -0.478  -8.144
  175   2HD1  LEU  27          2HD1      LEU  27   0.514  -1.533  -7.745
  176   3HD1  LEU  27          3HD1      LEU  27   0.250  -0.050  -6.827
  177   1HD2  LEU  27          1HD2      LEU  27  -0.772  -3.433  -5.264
  178   2HD2  LEU  27          2HD2      LEU  27   0.343  -3.176  -6.606
  179   3HD2  LEU  27          3HD2      LEU  27  -1.316  -3.684  -6.923
  180    H    CYS  28           H        CYS  28  -1.262  -2.911  -2.315
  181    HA   CYS  28           HA       CYS  28  -1.682  -1.047  -0.127
  182   1HB   CYS  28          2HB       CYS  28  -2.101  -3.600  -0.031
  183   2HB   CYS  28          1HB       CYS  28  -0.352  -3.724   0.135
  184    H    ALA  29           H        ALA  29  -0.135   0.063   0.853
  185    HA   ALA  29           HA       ALA  29   2.582  -0.144  -0.255
  186   1HB   ALA  29          1HB       ALA  29   0.890   2.147   0.578
  187   2HB   ALA  29          2HB       ALA  29   1.970   1.978  -0.807
  188   3HB   ALA  29          3HB       ALA  29   2.635   2.282   0.799
  189    H    LYS  30           H        LYS  30   4.279  -0.465   1.038
  190    HA   LYS  30           HA       LYS  30   3.790  -1.032   3.843
  191   1HB   LYS  30          2HB       LYS  30   5.198  -2.542   2.450
  192   2HB   LYS  30          1HB       LYS  30   6.341  -1.229   2.220
  193   1HG   LYS  30          2HG       LYS  30   6.942  -2.961   3.952
  194   2HG   LYS  30          1HG       LYS  30   7.011  -1.277   4.474
  195   1HD   LYS  30          2HD       LYS  30   5.124  -1.472   5.792
  196   2HD   LYS  30          1HD       LYS  30   4.509  -2.856   4.886
  197   1HE   LYS  30          2HE       LYS  30   7.043  -3.053   6.472
  198   2HE   LYS  30          1HE       LYS  30   5.471  -3.240   7.250
  199   1HZ   LYS  30          1HZ       LYS  30   5.653  -4.797   4.870
  200   2HZ   LYS  30          2HZ       LYS  30   5.271  -5.282   6.448
  201   3HZ   LYS  30          3HZ       LYS  30   6.890  -5.195   5.956
  202    H    ASN  31           H        ASN  31   3.425   0.913   4.781
  203    HA   ASN  31           HA       ASN  31   3.844   2.926   5.730
  204   1HB   ASN  31          2HB       ASN  31   5.900   1.576   6.502
  205   2HB   ASN  31          1HB       ASN  31   6.786   2.444   5.257
  206   1HD2  ASN  31          1HD2      ASN  31   4.380   4.430   6.446
  207   2HD2  ASN  31          2HD2      ASN  31   5.312   5.299   7.606
  Start of MODEL   12
    1    H    GLY   1           H        GLY   1   3.628   2.993   3.203
    2   1HA   GLY   1          2HA       GLY   1   3.511   4.977   1.866
    3   2HA   GLY   1          1HA       GLY   1   5.139   5.377   2.387
    4    H    SER   2           H        SER   2   6.199   2.687   1.888
    5    HA   SER   2           HA       SER   2   6.577   3.020  -0.974
    6   1HB   SER   2          2HB       SER   2   8.525   2.698   0.537
    7   2HB   SER   2          1HB       SER   2   7.930   1.083   0.917
    8    HG   SER   2           HG       SER   2   9.545   1.610  -0.969
    9    H    ILE   3           H        ILE   3   5.115   2.107  -2.248
   10    HA   ILE   3           HA       ILE   3   3.537  -0.133  -1.538
   11    HB   ILE   3           HB       ILE   3   4.000   1.112  -4.254
   12   1HG1  ILE   3          2HG1      ILE   3   1.543   1.817  -3.807
   13   2HG1  ILE   3          1HG1      ILE   3   1.905   1.461  -2.123
   14   1HG2  ILE   3          1HG2      ILE   3   2.628  -1.335  -3.501
   15   2HG2  ILE   3          2HG2      ILE   3   3.083  -0.736  -5.096
   16   3HG2  ILE   3          3HG2      ILE   3   1.578  -0.200  -4.349
   17   1HD1  ILE   3          1HD1      ILE   3   2.451   3.814  -3.608
   18   2HD1  ILE   3          2HD1      ILE   3   3.982   3.104  -3.099
   19   3HD1  ILE   3          3HD1      ILE   3   2.746   3.486  -1.901
   20    HA   PRO   4           HA       PRO   4   6.426  -2.558  -4.733
   21   1HB   PRO   4          2HB       PRO   4   8.929  -1.029  -4.229
   22   2HB   PRO   4          1HB       PRO   4   8.341  -1.768  -5.722
   23   1HG   PRO   4          2HG       PRO   4   8.231   0.864  -5.387
   24   2HG   PRO   4          1HG       PRO   4   6.905  -0.004  -6.184
   25   1HD   PRO   4          2HD       PRO   4   7.064   1.081  -3.403
   26   2HD   PRO   4          1HD       PRO   4   5.691   1.056  -4.528
   27    H    ALA   5           H        ALA   5   7.655  -1.085  -1.771
   28    HA   ALA   5           HA       ALA   5   9.325  -3.234  -0.995
   29   1HB   ALA   5          1HB       ALA   5   9.916  -1.813   0.604
   30   2HB   ALA   5          2HB       ALA   5   8.288  -1.828   1.282
   31   3HB   ALA   5          3HB       ALA   5   8.699  -0.689  -0.001
   32    H    CYS   6           H        CYS   6   5.915  -2.577  -0.578
   33    HA   CYS   6           HA       CYS   6   5.544  -4.710   1.324
   34   1HB   CYS   6          2HB       CYS   6   4.115  -2.681   1.348
   35   2HB   CYS   6          1HB       CYS   6   3.459  -3.155  -0.217
   36    H    GLY   7           H        GLY   7   4.719  -4.132  -2.082
   37   1HA   GLY   7          2HA       GLY   7   4.306  -5.594  -3.803
   38   2HA   GLY   7          1HA       GLY   7   5.142  -6.813  -2.851
   39    H    GLU   8           H        GLU   8   2.178  -5.040  -2.052
   40    HA   GLU   8           HA       GLU   8   0.626  -7.490  -2.393
   41   1HB   GLU   8          2HB       GLU   8   1.571  -6.839   0.080
   42   2HB   GLU   8          1HB       GLU   8   0.019  -6.010   0.086
   43   1HG   GLU   8          2HG       GLU   8   0.212  -8.876  -0.736
   44   2HG   GLU   8          1HG       GLU   8   0.163  -8.425   0.961
   45    H    SER   9           H        SER   9  -1.657  -7.130  -2.517
   46    HA   SER   9           HA       SER   9  -2.335  -4.328  -3.175
   47   1HB   SER   9          2HB       SER   9  -3.473  -6.812  -4.477
   48   2HB   SER   9          1HB       SER   9  -3.782  -5.138  -4.941
   49    HG   SER   9           HG       SER   9  -1.121  -5.904  -4.860
   50    H    CYS  10           H        CYS  10  -4.052  -3.474  -2.173
   51    HA   CYS  10           HA       CYS  10  -5.463  -5.135  -0.265
   52   1HB   CYS  10          2HB       CYS  10  -6.466  -2.843   0.349
   53   2HB   CYS  10          1HB       CYS  10  -4.779  -3.137   0.708
   54    H    PHE  11           H        PHE  11  -6.095  -5.736  -2.940
   55    HA   PHE  11           HA       PHE  11  -8.543  -4.453  -3.663
   56   1HB   PHE  11          2HB       PHE  11  -8.740  -6.148  -5.403
   57   2HB   PHE  11          1HB       PHE  11  -7.114  -5.485  -5.376
   58    HD1  PHE  11           1HD      PHE  11  -9.168  -8.443  -4.602
   59    HD2  PHE  11           2HD      PHE  11  -5.232  -6.856  -4.912
   60    HE1  PHE  11           1HE      PHE  11  -8.246 -10.721  -4.504
   61    HE2  PHE  11           2HE      PHE  11  -4.303  -9.132  -4.811
   62    HZ   PHE  11           HZ       PHE  11  -5.811 -11.068  -4.609
   63    H    LYS  12           H        LYS  12  -7.645  -7.221  -1.762
   64    HA   LYS  12           HA       LYS  12 -10.436  -8.012  -1.443
   65   1HB   LYS  12          2HB       LYS  12  -9.591  -9.961  -0.237
   66   2HB   LYS  12          1HB       LYS  12  -8.816  -9.818  -1.806
   67   1HG   LYS  12          2HG       LYS  12  -7.471  -8.683   0.605
   68   2HG   LYS  12          1HG       LYS  12  -7.422 -10.421   0.308
   69   1HD   LYS  12          2HD       LYS  12  -6.447 -10.023  -1.896
   70   2HD   LYS  12          1HD       LYS  12  -6.514  -8.282  -1.615
   71   1HE   LYS  12          2HE       LYS  12  -5.018 -10.170   0.188
   72   2HE   LYS  12          1HE       LYS  12  -4.279  -9.411  -1.221
   73   1HZ   LYS  12          1HZ       LYS  12  -4.881  -7.240  -0.249
   74   2HZ   LYS  12          2HZ       LYS  12  -3.772  -8.105   0.684
   75   3HZ   LYS  12          3HZ       LYS  12  -5.403  -8.027   1.158
   76    H    GLY  13           H        GLY  13  -9.785  -5.499  -0.446
   77   1HA   GLY  13          2HA       GLY  13 -10.414  -4.321   1.444
   78   2HA   GLY  13          1HA       GLY  13 -10.595  -5.847   2.296
   79    H    LYS  14           H        LYS  14  -9.192  -6.233   3.852
   80    HA   LYS  14           HA       LYS  14  -7.111  -4.439   4.444
   81   1HB   LYS  14          2HB       LYS  14  -6.522  -6.118   6.235
   82   2HB   LYS  14          1HB       LYS  14  -8.154  -5.477   6.277
   83   1HG   LYS  14          2HG       LYS  14  -8.370  -7.761   6.742
   84   2HG   LYS  14          1HG       LYS  14  -8.862  -7.589   5.058
   85   1HD   LYS  14          2HD       LYS  14  -6.763  -8.438   4.288
   86   2HD   LYS  14          1HD       LYS  14  -6.092  -8.398   5.916
   87   1HE   LYS  14          2HE       LYS  14  -8.423 -10.111   5.074
   88   2HE   LYS  14          1HE       LYS  14  -6.754 -10.670   5.143
   89   1HZ   LYS  14          1HZ       LYS  14  -6.761 -10.054   7.530
   90   2HZ   LYS  14          2HZ       LYS  14  -7.840 -11.299   7.147
   91   3HZ   LYS  14          3HZ       LYS  14  -8.418  -9.732   7.412
   92    H    CYS  15           H        CYS  15  -4.896  -4.782   4.641
   93    HA   CYS  15           HA       CYS  15  -3.736  -6.194   2.420
   94   1HB   CYS  15          2HB       CYS  15  -2.443  -4.602   4.646
   95   2HB   CYS  15          1HB       CYS  15  -1.621  -5.194   3.206
   96    H    TYR  16           H        TYR  16  -2.274  -7.895   2.529
   97    HA   TYR  16           HA       TYR  16  -2.635  -9.617   4.834
   98   1HB   TYR  16          2HB       TYR  16  -1.524  -9.970   2.080
   99   2HB   TYR  16          1HB       TYR  16  -1.070 -11.121   3.334
  100    HD1  TYR  16           1HD      TYR  16  -2.163 -13.046   2.470
  101    HD2  TYR  16           2HD      TYR  16  -4.366  -9.457   3.073
  102    HE1  TYR  16           1HE      TYR  16  -4.264 -14.281   2.128
  103    HE2  TYR  16           2HE      TYR  16  -6.467 -10.680   2.729
  104    HH   TYR  16           HH       TYR  16  -6.488 -14.079   1.791
  105    H    THR  17           H        THR  17  -0.018  -7.879   3.228
  106    HA   THR  17           HA       THR  17   2.007  -8.865   4.962
  107    HB   THR  17           HB       THR  17   2.137  -6.347   3.300
  108    HG1  THR  17           1HG      THR  17   2.881  -7.735   1.627
  109   1HG2  THR  17          1HG2      THR  17   4.467  -8.124   3.568
  110   2HG2  THR  17          2HG2      THR  17   3.953  -7.351   5.068
  111   3HG2  THR  17          3HG2      THR  17   4.367  -6.365   3.664
  112    HA   PRO  18           HA       PRO  18   0.757  -6.387   8.482
  113   1HB   PRO  18          2HB       PRO  18   3.435  -7.248   9.419
  114   2HB   PRO  18          1HB       PRO  18   1.866  -7.387  10.218
  115   1HG   PRO  18          2HG       PRO  18   3.056  -9.522   9.139
  116   2HG   PRO  18          1HG       PRO  18   1.296  -9.310   9.065
  117   1HD   PRO  18          2HD       PRO  18   3.349  -8.909   6.936
  118   2HD   PRO  18          1HD       PRO  18   1.694  -9.538   6.806
  119    H    GLY  19           H        GLY  19   1.044  -4.302   8.835
  120   1HA   GLY  19          2HA       GLY  19   2.325  -2.362   9.251
  121   2HA   GLY  19          1HA       GLY  19   3.669  -3.096   8.391
  122    H    CYS  20           H        CYS  20   1.338  -3.794   6.306
  123    HA   CYS  20           HA       CYS  20   1.895  -1.374   4.783
  124   1HB   CYS  20          2HB       CYS  20   0.409  -3.849   3.912
  125   2HB   CYS  20          1HB       CYS  20   0.949  -2.530   2.880
  126    H    SER  21           H        SER  21   0.392  -0.004   3.944
  127    HA   SER  21           HA       SER  21  -2.344  -0.238   5.011
  128   1HB   SER  21          2HB       SER  21  -0.778   2.319   4.571
  129   2HB   SER  21          1HB       SER  21  -2.405   2.189   5.243
  130    HG   SER  21           HG       SER  21  -0.538   0.649   6.537
  131    H    CYS  22           H        CYS  22  -4.009   0.316   3.607
  132    HA   CYS  22           HA       CYS  22  -3.433   0.073   0.820
  133   1HB   CYS  22          2HB       CYS  22  -5.489  -0.824   2.000
  134   2HB   CYS  22          1HB       CYS  22  -6.079   0.832   2.067
  135    H    SER  23           H        SER  23  -1.987   2.027   0.880
  136    HA   SER  23           HA       SER  23  -3.416   4.573   0.772
  137   1HB   SER  23          2HB       SER  23  -0.442   4.065   0.535
  138   2HB   SER  23          1HB       SER  23  -1.239   5.602   0.873
  139    HG   SER  23           HG       SER  23  -1.967   4.696   2.847
  140    H    LYS  24           H        LYS  24  -3.574   2.404  -1.264
  141    HA   LYS  24           HA       LYS  24  -3.311   4.066  -3.584
  142   1HB   LYS  24          2HB       LYS  24  -1.652   1.577  -3.247
  143   2HB   LYS  24          1HB       LYS  24  -2.137   2.143  -4.838
  144   1HG   LYS  24          2HG       LYS  24  -0.563   3.756  -2.844
  145   2HG   LYS  24          1HG       LYS  24   0.127   2.864  -4.198
  146   1HD   LYS  24          2HD       LYS  24  -1.091   4.238  -5.775
  147   2HD   LYS  24          1HD       LYS  24  -1.922   5.066  -4.455
  148   1HE   LYS  24          2HE       LYS  24   0.258   5.906  -3.656
  149   2HE   LYS  24          1HE       LYS  24   1.037   5.138  -5.038
  150   1HZ   LYS  24          1HZ       LYS  24  -0.574   7.556  -4.923
  151   2HZ   LYS  24          2HZ       LYS  24  -0.814   6.573  -6.279
  152   3HZ   LYS  24          3HZ       LYS  24   0.730   7.169  -5.930
  153    H    TYR  25           H        TYR  25  -4.471   3.244  -5.323
  154    HA   TYR  25           HA       TYR  25  -6.684   1.530  -4.505
  155   1HB   TYR  25          2HB       TYR  25  -7.607   2.720  -6.681
  156   2HB   TYR  25          1HB       TYR  25  -7.511   3.572  -5.138
  157    HD1  TYR  25           1HD      TYR  25  -7.194   5.829  -5.851
  158    HD2  TYR  25           2HD      TYR  25  -4.695   2.765  -7.415
  159    HE1  TYR  25           1HE      TYR  25  -5.695   7.530  -6.812
  160    HE2  TYR  25           2HE      TYR  25  -3.198   4.429  -8.363
  161    HH   TYR  25           HH       TYR  25  -3.927   7.460  -8.936
  162    HA   PRO  26           HA       PRO  26  -6.342  -0.235  -3.965
  163   1HB   PRO  26          2HB       PRO  26  -6.833  -2.847  -4.183
  164   2HB   PRO  26          1HB       PRO  26  -7.961  -1.684  -4.893
  165   1HG   PRO  26          2HG       PRO  26  -6.124  -3.537  -6.246
  166   2HG   PRO  26          1HG       PRO  26  -7.504  -2.649  -6.913
  167   1HD   PRO  26          2HD       PRO  26  -4.638  -1.915  -6.897
  168   2HD   PRO  26          1HD       PRO  26  -5.952  -1.303  -7.930
  169    H    LEU  27           H        LEU  27  -3.756   0.261  -4.175
  170    HA   LEU  27           HA       LEU  27  -2.323  -2.248  -3.764
  171   1HB   LEU  27          2HB       LEU  27  -1.378   0.428  -4.689
  172   2HB   LEU  27          1HB       LEU  27  -0.264  -0.821  -4.160
  173    HG   LEU  27           HG       LEU  27  -2.286  -1.323  -6.311
  174   1HD1  LEU  27          1HD1      LEU  27   0.324   0.098  -6.458
  175   2HD1  LEU  27          2HD1      LEU  27  -1.155   0.358  -7.383
  176   3HD1  LEU  27          3HD1      LEU  27  -0.105  -1.007  -7.765
  177   1HD2  LEU  27          1HD2      LEU  27  -1.462  -3.377  -6.179
  178   2HD2  LEU  27          2HD2      LEU  27  -0.285  -2.865  -4.969
  179   3HD2  LEU  27          3HD2      LEU  27   0.105  -2.745  -6.684
  180    H    CYS  28           H        CYS  28  -1.208  -2.716  -2.005
  181    HA   CYS  28           HA       CYS  28  -1.545  -1.015   0.328
  182   1HB   CYS  28          2HB       CYS  28  -0.330  -3.766  -0.003
  183   2HB   CYS  28          1HB       CYS  28  -0.470  -2.923   1.535
  184    H    ALA  29           H        ALA  29  -0.030   0.294   1.096
  185    HA   ALA  29           HA       ALA  29   2.666   0.153  -0.062
  186   1HB   ALA  29          1HB       ALA  29   2.791   2.511   1.000
  187   2HB   ALA  29          2HB       ALA  29   1.033   2.384   1.088
  188   3HB   ALA  29          3HB       ALA  29   1.848   2.288  -0.473
  189    H    LYS  30           H        LYS  30   4.385  -0.302   1.189
  190    HA   LYS  30           HA       LYS  30   3.898  -0.936   3.989
  191   1HB   LYS  30          2HB       LYS  30   5.184  -2.495   2.512
  192   2HB   LYS  30          1HB       LYS  30   6.432  -1.267   2.364
  193   1HG   LYS  30          2HG       LYS  30   6.867  -3.105   4.030
  194   2HG   LYS  30          1HG       LYS  30   7.030  -1.456   4.636
  195   1HD   LYS  30          2HD       LYS  30   4.973  -1.566   5.785
  196   2HD   LYS  30          1HD       LYS  30   4.478  -3.019   4.918
  197   1HE   LYS  30          2HE       LYS  30   6.894  -2.990   6.697
  198   2HE   LYS  30          1HE       LYS  30   5.276  -3.270   7.341
  199   1HZ   LYS  30          1HZ       LYS  30   5.228  -5.329   6.528
  200   2HZ   LYS  30          2HZ       LYS  30   6.909  -5.183   6.359
  201   3HZ   LYS  30          3HZ       LYS  30   5.897  -4.878   5.037
  202    H    ASN  31           H        ASN  31   3.653   1.025   4.924
  203    HA   ASN  31           HA       ASN  31   4.207   2.968   5.923
  204   1HB   ASN  31          2HB       ASN  31   7.061   2.048   5.477
  205   2HB   ASN  31          1HB       ASN  31   6.573   3.375   6.525
  206   1HD2  ASN  31          1HD2      ASN  31   7.720   0.453   6.707
  207   2HD2  ASN  31          2HD2      ASN  31   6.911  -0.151   8.109
  Start of MODEL   13
    1    H    GLY   1           H        GLY   1   3.197   2.856   2.997
    2   1HA   GLY   1          2HA       GLY   1   3.287   4.719   1.483
    3   2HA   GLY   1          1HA       GLY   1   4.824   5.176   2.199
    4    H    SER   2           H        SER   2   5.853   2.420   2.127
    5    HA   SER   2           HA       SER   2   6.958   2.513  -0.515
    6   1HB   SER   2          2HB       SER   2   7.282   0.257   1.458
    7   2HB   SER   2          1HB       SER   2   8.411   0.789   0.212
    8    HG   SER   2           HG       SER   2   8.163   2.891   1.620
    9    H    ILE   3           H        ILE   3   5.618   1.944  -2.162
   10    HA   ILE   3           HA       ILE   3   3.696  -0.165  -1.945
   11    HB   ILE   3           HB       ILE   3   4.643   1.463  -4.298
   12   1HG1  ILE   3          2HG1      ILE   3   3.178   2.502  -2.524
   13   2HG1  ILE   3          1HG1      ILE   3   2.524   2.549  -4.158
   14   1HG2  ILE   3          1HG2      ILE   3   3.327  -1.078  -4.365
   15   2HG2  ILE   3          2HG2      ILE   3   3.839  -0.052  -5.704
   16   3HG2  ILE   3          3HG2      ILE   3   2.245   0.169  -4.984
   17   1HD1  ILE   3          1HD1      ILE   3   1.742   0.629  -1.978
   18   2HD1  ILE   3          2HD1      ILE   3   1.111   0.615  -3.625
   19   3HD1  ILE   3          3HD1      ILE   3   0.795   1.993  -2.571
   20    HA   PRO   4           HA       PRO   4   6.646  -2.541  -5.030
   21   1HB   PRO   4          2HB       PRO   4   9.278  -1.729  -4.945
   22   2HB   PRO   4          1HB       PRO   4   8.117  -1.243  -6.185
   23   1HG   PRO   4          2HG       PRO   4   8.998   0.225  -3.732
   24   2HG   PRO   4          1HG       PRO   4   8.715   0.845  -5.369
   25   1HD   PRO   4          2HD       PRO   4   6.915   1.198  -3.423
   26   2HD   PRO   4          1HD       PRO   4   6.410   0.872  -5.095
   27    H    ALA   5           H        ALA   5   7.805  -1.279  -1.986
   28    HA   ALA   5           HA       ALA   5   9.432  -3.527  -1.334
   29   1HB   ALA   5          1HB       ALA   5   8.747  -0.998  -0.127
   30   2HB   ALA   5          2HB       ALA   5  10.176  -2.006   0.103
   31   3HB   ALA   5          3HB       ALA   5   8.726  -2.301   1.063
   32    H    CYS   6           H        CYS   6   6.076  -2.663  -0.794
   33    HA   CYS   6           HA       CYS   6   5.633  -4.832   1.043
   34   1HB   CYS   6          2HB       CYS   6   4.345  -2.759   1.251
   35   2HB   CYS   6          1HB       CYS   6   3.645  -3.028  -0.343
   36    H    GLY   7           H        GLY   7   4.533  -4.100  -2.280
   37   1HA   GLY   7          2HA       GLY   7   4.223  -5.599  -4.033
   38   2HA   GLY   7          1HA       GLY   7   4.639  -6.916  -2.947
   39    H    GLU   8           H        GLU   8   2.661  -6.089  -0.950
   40    HA   GLU   8           HA       GLU   8   0.518  -7.697  -1.654
   41   1HB   GLU   8          2HB       GLU   8   0.996  -7.184   0.650
   42   2HB   GLU   8          1HB       GLU   8   0.691  -5.475   0.382
   43   1HG   GLU   8          2HG       GLU   8  -1.170  -6.418   1.531
   44   2HG   GLU   8          1HG       GLU   8  -1.669  -6.017  -0.109
   45    H    SER   9           H        SER   9  -1.519  -7.363  -2.408
   46    HA   SER   9           HA       SER   9  -1.992  -4.747  -3.682
   47   1HB   SER   9          2HB       SER   9  -3.033  -7.467  -4.505
   48   2HB   SER   9          1HB       SER   9  -3.331  -5.946  -5.347
   49    HG   SER   9           HG       SER   9  -0.687  -6.741  -4.845
   50    H    CYS  10           H        CYS  10  -3.717  -3.624  -3.130
   51    HA   CYS  10           HA       CYS  10  -5.548  -4.701  -1.143
   52   1HB   CYS  10          2HB       CYS  10  -4.547  -2.469  -0.803
   53   2HB   CYS  10          1HB       CYS  10  -5.289  -1.914  -2.296
   54    H    PHE  11           H        PHE  11  -6.210  -6.180  -2.989
   55    HA   PHE  11           HA       PHE  11  -7.825  -5.123  -5.089
   56   1HB   PHE  11          2HB       PHE  11  -8.446  -7.591  -5.371
   57   2HB   PHE  11          1HB       PHE  11  -6.754  -7.155  -5.574
   58    HD1  PHE  11           1HD      PHE  11  -5.248  -8.616  -4.677
   59    HD2  PHE  11           2HD      PHE  11  -9.020  -8.148  -2.758
   60    HE1  PHE  11           1HE      PHE  11  -4.603 -10.305  -3.008
   61    HE2  PHE  11           2HE      PHE  11  -8.377  -9.835  -1.083
   62    HZ   PHE  11           HZ       PHE  11  -6.167 -10.914  -1.206
   63    H    LYS  12           H        LYS  12  -8.896  -3.981  -2.901
   64    HA   LYS  12           HA       LYS  12 -10.921  -3.483  -1.978
   65   1HB   LYS  12          2HB       LYS  12 -12.103  -5.863  -3.413
   66   2HB   LYS  12          1HB       LYS  12 -12.950  -4.457  -2.790
   67   1HG   LYS  12          2HG       LYS  12 -12.055  -3.064  -4.495
   68   2HG   LYS  12          1HG       LYS  12 -10.944  -4.330  -5.024
   69   1HD   LYS  12          2HD       LYS  12 -13.951  -4.396  -5.191
   70   2HD   LYS  12          1HD       LYS  12 -12.835  -4.194  -6.542
   71   1HE   LYS  12          2HE       LYS  12 -13.178  -6.624  -4.788
   72   2HE   LYS  12          1HE       LYS  12 -13.597  -6.475  -6.492
   73   1HZ   LYS  12          1HZ       LYS  12 -11.046  -5.885  -6.641
   74   2HZ   LYS  12          2HZ       LYS  12 -11.592  -7.485  -6.679
   75   3HZ   LYS  12          3HZ       LYS  12 -10.982  -6.835  -5.239
   76    H    GLY  13           H        GLY  13  -9.471  -4.456  -0.195
   77   1HA   GLY  13          2HA       GLY  13 -11.146  -6.062   1.455
   78   2HA   GLY  13          1HA       GLY  13  -9.785  -6.989   0.841
   79    H    LYS  14           H        LYS  14  -7.934  -6.900   1.917
   80    HA   LYS  14           HA       LYS  14  -7.134  -4.578   3.389
   81   1HB   LYS  14          2HB       LYS  14  -6.857  -5.969   5.542
   82   2HB   LYS  14          1HB       LYS  14  -8.450  -5.340   5.162
   83   1HG   LYS  14          2HG       LYS  14  -8.786  -7.537   5.922
   84   2HG   LYS  14          1HG       LYS  14  -8.971  -7.607   4.170
   85   1HD   LYS  14          2HD       LYS  14  -6.710  -8.476   3.948
   86   2HD   LYS  14          1HD       LYS  14  -6.472  -8.346   5.690
   87   1HE   LYS  14          2HE       LYS  14  -8.544 -10.073   4.341
   88   2HE   LYS  14          1HE       LYS  14  -6.995 -10.647   4.954
   89   1HZ   LYS  14          1HZ       LYS  14  -9.138  -9.404   6.591
   90   2HZ   LYS  14          2HZ       LYS  14  -7.659  -9.982   7.173
   91   3HZ   LYS  14          3HZ       LYS  14  -8.789 -11.058   6.521
   92    H    CYS  15           H        CYS  15  -4.956  -4.629   3.963
   93    HA   CYS  15           HA       CYS  15  -3.354  -6.339   2.322
   94   1HB   CYS  15          2HB       CYS  15  -2.349  -4.473   4.466
   95   2HB   CYS  15          1HB       CYS  15  -1.528  -4.982   2.994
   96    H    TYR  16           H        TYR  16  -2.328  -8.182   2.882
   97    HA   TYR  16           HA       TYR  16  -2.762  -9.237   5.539
   98   1HB   TYR  16          2HB       TYR  16  -1.419 -10.360   3.078
   99   2HB   TYR  16          1HB       TYR  16  -1.487 -11.225   4.608
  100    HD1  TYR  16           1HD      TYR  16  -3.840  -9.430   2.308
  101    HD2  TYR  16           2HD      TYR  16  -3.165 -12.783   4.837
  102    HE1  TYR  16           1HE      TYR  16  -6.056 -10.310   1.719
  103    HE2  TYR  16           2HE      TYR  16  -5.379 -13.676   4.251
  104    HH   TYR  16           HH       TYR  16  -7.062 -12.947   1.758
  105    H    THR  17           H        THR  17  -0.073  -8.086   3.595
  106    HA   THR  17           HA       THR  17   1.995  -8.781   5.370
  107    HB   THR  17           HB       THR  17   2.031  -6.458   3.439
  108    HG1  THR  17           1HG      THR  17   2.776  -8.062   1.926
  109   1HG2  THR  17          1HG2      THR  17   4.002  -7.752   5.116
  110   2HG2  THR  17          2HG2      THR  17   4.141  -6.278   4.156
  111   3HG2  THR  17          3HG2      THR  17   4.454  -7.847   3.414
  112    HA   PRO  18           HA       PRO  18   1.014  -5.885   8.649
  113   1HB   PRO  18          2HB       PRO  18   3.417  -6.310   9.966
  114   2HB   PRO  18          1HB       PRO  18   1.946  -7.256  10.199
  115   1HG   PRO  18          2HG       PRO  18   4.350  -7.865   8.542
  116   2HG   PRO  18          1HG       PRO  18   3.344  -8.960   9.508
  117   1HD   PRO  18          2HD       PRO  18   3.137  -8.837   6.831
  118   2HD   PRO  18          1HD       PRO  18   1.720  -9.119   7.865
  119    H    GLY  19           H        GLY  19   1.350  -3.771   8.722
  120   1HA   GLY  19          2HA       GLY  19   2.747  -1.841   8.825
  121   2HA   GLY  19          1HA       GLY  19   3.955  -2.709   7.887
  122    H    CYS  20           H        CYS  20   1.585  -3.647   6.125
  123    HA   CYS  20           HA       CYS  20   1.788  -1.354   4.342
  124   1HB   CYS  20          2HB       CYS  20   0.474  -4.022   3.849
  125   2HB   CYS  20          1HB       CYS  20   0.827  -2.786   2.650
  126    H    SER  21           H        SER  21   0.096  -0.197   3.553
  127    HA   SER  21           HA       SER  21  -2.562  -0.697   4.691
  128   1HB   SER  21          2HB       SER  21  -1.197   2.007   4.606
  129   2HB   SER  21          1HB       SER  21  -2.832   1.687   5.187
  130    HG   SER  21           HG       SER  21  -1.065   0.069   6.418
  131    H    CYS  22           H        CYS  22  -4.287   0.048   3.423
  132    HA   CYS  22           HA       CYS  22  -3.795   0.079   0.602
  133   1HB   CYS  22          2HB       CYS  22  -5.787  -0.970   1.799
  134   2HB   CYS  22          1HB       CYS  22  -6.409   0.662   2.003
  135    H    SER  23           H        SER  23  -2.396   2.149   1.433
  136    HA   SER  23           HA       SER  23  -3.869   4.616   1.442
  137   1HB   SER  23          2HB       SER  23  -0.881   4.235   1.163
  138   2HB   SER  23          1HB       SER  23  -1.736   5.661   1.759
  139    HG   SER  23           HG       SER  23  -2.130   4.669   3.633
  140    H    LYS  24           H        LYS  24  -2.802   2.537  -0.980
  141    HA   LYS  24           HA       LYS  24  -3.189   4.627  -2.986
  142   1HB   LYS  24          2HB       LYS  24  -0.839   2.722  -3.016
  143   2HB   LYS  24          1HB       LYS  24  -1.251   3.859  -4.292
  144   1HG   LYS  24          2HG       LYS  24  -0.969   5.691  -2.578
  145   2HG   LYS  24          1HG       LYS  24  -0.279   4.466  -1.517
  146   1HD   LYS  24          2HD       LYS  24   1.448   3.990  -3.180
  147   2HD   LYS  24          1HD       LYS  24   0.753   5.205  -4.254
  148   1HE   LYS  24          2HE       LYS  24   1.928   5.700  -1.519
  149   2HE   LYS  24          1HE       LYS  24   2.680   6.101  -3.063
  150   1HZ   LYS  24          1HZ       LYS  24   0.780   7.584  -3.505
  151   2HZ   LYS  24          2HZ       LYS  24   1.670   8.052  -2.145
  152   3HZ   LYS  24          3HZ       LYS  24   0.184   7.265  -1.953
  153    H    TYR  25           H        TYR  25  -5.212   3.230  -2.702
  154    HA   TYR  25           HA       TYR  25  -5.549   0.636  -3.519
  155   1HB   TYR  25          2HB       TYR  25  -7.352   2.052  -2.639
  156   2HB   TYR  25          1HB       TYR  25  -7.330   3.017  -4.107
  157    HD1  TYR  25           1HD      TYR  25  -7.887  -0.488  -2.942
  158    HD2  TYR  25           2HD      TYR  25  -8.787   2.502  -5.832
  159    HE1  TYR  25           1HE      TYR  25  -9.572  -1.972  -3.947
  160    HE2  TYR  25           2HE      TYR  25 -10.472   1.027  -6.844
  161    HH   TYR  25           HH       TYR  25 -11.728  -0.854  -6.475
  162    HA   PRO  26           HA       PRO  26  -6.288  -0.806  -4.491
  163   1HB   PRO  26          2HB       PRO  26  -6.119  -2.822  -6.228
  164   2HB   PRO  26          1HB       PRO  26  -7.388  -1.601  -6.362
  165   1HG   PRO  26          2HG       PRO  26  -4.962  -1.989  -8.015
  166   2HG   PRO  26          1HG       PRO  26  -6.519  -1.268  -8.453
  167   1HD   PRO  26          2HD       PRO  26  -4.107   0.076  -7.687
  168   2HD   PRO  26          1HD       PRO  26  -5.677   0.799  -8.084
  169    H    LEU  27           H        LEU  27  -3.505   0.130  -4.396
  170    HA   LEU  27           HA       LEU  27  -2.162  -2.467  -4.064
  171   1HB   LEU  27          2HB       LEU  27  -1.010   0.201  -4.843
  172   2HB   LEU  27          1HB       LEU  27  -0.026  -1.164  -4.341
  173    HG   LEU  27           HG       LEU  27  -1.960  -1.346  -6.615
  174   1HD1  LEU  27          1HD1      LEU  27  -0.599  -0.234  -7.987
  175   2HD1  LEU  27          2HD1      LEU  27   0.795  -1.165  -7.438
  176   3HD1  LEU  27          3HD1      LEU  27   0.306   0.288  -6.566
  177   1HD2  LEU  27          1HD2      LEU  27  -0.085  -3.095  -7.218
  178   2HD2  LEU  27          2HD2      LEU  27  -1.391  -3.497  -6.104
  179   3HD2  LEU  27          3HD2      LEU  27   0.193  -3.044  -5.477
  180    H    CYS  28           H        CYS  28  -0.931  -2.809  -2.274
  181    HA   CYS  28           HA       CYS  28  -1.599  -1.080  -0.010
  182   1HB   CYS  28          2HB       CYS  28  -0.541  -3.894  -0.189
  183   2HB   CYS  28          1HB       CYS  28  -0.587  -2.999   1.327
  184    H    ALA  29           H        ALA  29  -0.188   0.236   0.881
  185    HA   ALA  29           HA       ALA  29   2.594   0.096  -0.041
  186   1HB   ALA  29          1HB       ALA  29   1.079   2.386   1.207
  187   2HB   ALA  29          2HB       ALA  29   1.413   2.179  -0.513
  188   3HB   ALA  29          3HB       ALA  29   2.741   2.444   0.618
  189    H    LYS  30           H        LYS  30   4.126  -0.534   1.316
  190    HA   LYS  30           HA       LYS  30   3.535  -1.040   4.093
  191   1HB   LYS  30          2HB       LYS  30   5.042  -2.506   2.710
  192   2HB   LYS  30          1HB       LYS  30   6.193  -1.183   2.628
  193   1HG   LYS  30          2HG       LYS  30   5.314  -2.264   5.279
  194   2HG   LYS  30          1HG       LYS  30   6.558  -3.085   4.339
  195   1HD   LYS  30          2HD       LYS  30   6.636  -0.209   5.258
  196   2HD   LYS  30          1HD       LYS  30   7.543  -1.548   5.968
  197   1HE   LYS  30          2HE       LYS  30   8.979  -1.703   4.170
  198   2HE   LYS  30          1HE       LYS  30   7.822  -0.988   3.049
  199   1HZ   LYS  30          1HZ       LYS  30   8.540   0.862   5.080
  200   2HZ   LYS  30          2HZ       LYS  30   8.679   1.014   3.400
  201   3HZ   LYS  30          3HZ       LYS  30   9.922   0.286   4.292
  202    H    ASN  31           H        ASN  31   3.025   0.979   4.885
  203    HA   ASN  31           HA       ASN  31   3.325   3.052   5.735
  204   1HB   ASN  31          2HB       ASN  31   6.116   1.939   5.994
  205   2HB   ASN  31          1HB       ASN  31   5.726   3.569   6.532
  206   1HD2  ASN  31          1HD2      ASN  31   6.071   0.493   7.556
  207   2HD2  ASN  31          2HD2      ASN  31   5.046   0.524   8.942
  Start of MODEL   14
    1    H    GLY   1           H        GLY   1   3.566   2.601   3.460
    2   1HA   GLY   1          2HA       GLY   1   3.530   4.775   2.386
    3   2HA   GLY   1          1HA       GLY   1   5.154   5.041   2.995
    4    H    SER   2           H        SER   2   6.021   2.309   2.228
    5    HA   SER   2           HA       SER   2   6.593   2.957  -0.551
    6   1HB   SER   2          2HB       SER   2   7.701   0.749   1.194
    7   2HB   SER   2          1HB       SER   2   8.317   1.238  -0.385
    8    HG   SER   2           HG       SER   2   8.081   3.188   1.603
    9    H    ILE   3           H        ILE   3   4.984   2.367  -1.885
   10    HA   ILE   3           HA       ILE   3   3.293   0.148  -1.553
   11    HB   ILE   3           HB       ILE   3   3.938   1.740  -4.038
   12   1HG1  ILE   3          2HG1      ILE   3   1.481   2.444  -3.634
   13   2HG1  ILE   3          1HG1      ILE   3   1.710   1.797  -2.014
   14   1HG2  ILE   3          1HG2      ILE   3   1.446   0.290  -4.157
   15   2HG2  ILE   3          2HG2      ILE   3   2.821  -0.803  -3.991
   16   3HG2  ILE   3          3HG2      ILE   3   2.770   0.356  -5.320
   17   1HD1  ILE   3          1HD1      ILE   3   3.743   3.712  -2.962
   18   2HD1  ILE   3          2HD1      ILE   3   3.011   3.518  -1.369
   19   3HD1  ILE   3          3HD1      ILE   3   2.129   4.350  -2.650
   20    HA   PRO   4           HA       PRO   4   6.038  -2.109  -4.962
   21   1HB   PRO   4          2HB       PRO   4   8.632  -0.759  -4.428
   22   2HB   PRO   4          1HB       PRO   4   7.944  -1.317  -5.958
   23   1HG   PRO   4          2HG       PRO   4   7.996   1.272  -5.373
   24   2HG   PRO   4          1HG       PRO   4   6.589   0.556  -6.181
   25   1HD   PRO   4          2HD       PRO   4   6.933   1.336  -3.312
   26   2HD   PRO   4          1HD       PRO   4   5.520   1.525  -4.370
   27    H    ALA   5           H        ALA   5   7.336  -1.007  -1.891
   28    HA   ALA   5           HA       ALA   5   9.003  -3.232  -1.385
   29   1HB   ALA   5          1HB       ALA   5   8.233  -2.284   1.099
   30   2HB   ALA   5          2HB       ALA   5   8.125  -0.875   0.045
   31   3HB   ALA   5          3HB       ALA   5   9.638  -1.772   0.166
   32    H    CYS   6           H        CYS   6   5.610  -2.571  -0.654
   33    HA   CYS   6           HA       CYS   6   5.323  -5.006   0.859
   34   1HB   CYS   6          2HB       CYS   6   3.990  -2.864   1.239
   35   2HB   CYS   6          1HB       CYS   6   3.074  -3.302  -0.200
   36    H    GLY   7           H        GLY   7   4.176  -3.814  -2.296
   37   1HA   GLY   7          2HA       GLY   7   3.865  -5.008  -4.253
   38   2HA   GLY   7          1HA       GLY   7   4.370  -6.462  -3.411
   39    H    GLU   8           H        GLU   8   2.432  -6.402  -1.326
   40    HA   GLU   8           HA       GLU   8   0.348  -7.816  -2.493
   41   1HB   GLU   8          2HB       GLU   8   0.947  -7.954  -0.101
   42   2HB   GLU   8          1HB       GLU   8   0.285  -6.344   0.148
   43   1HG   GLU   8          2HG       GLU   8  -1.922  -7.148  -0.529
   44   2HG   GLU   8          1HG       GLU   8  -1.258  -8.761  -0.766
   45    H    SER   9           H        SER   9  -1.540  -7.321  -3.384
   46    HA   SER   9           HA       SER   9  -2.165  -4.522  -3.834
   47   1HB   SER   9          2HB       SER   9  -3.569  -6.959  -4.945
   48   2HB   SER   9          1HB       SER   9  -3.610  -5.313  -5.578
   49    HG   SER   9           HG       SER   9  -1.080  -5.960  -5.467
   50    H    CYS  10           H        CYS  10  -3.973  -3.484  -3.075
   51    HA   CYS  10           HA       CYS  10  -5.664  -5.031  -1.230
   52   1HB   CYS  10          2HB       CYS  10  -6.091  -2.879  -0.060
   53   2HB   CYS  10          1HB       CYS  10  -4.402  -3.366  -0.020
   54    H    PHE  11           H        PHE  11  -7.698  -5.297  -1.794
   55    HA   PHE  11           HA       PHE  11  -8.761  -4.033  -4.137
   56   1HB   PHE  11          2HB       PHE  11  -9.256  -6.371  -3.682
   57   2HB   PHE  11          1HB       PHE  11 -10.011  -5.941  -2.152
   58    HD1  PHE  11           1HD      PHE  11 -10.306  -4.861  -5.717
   59    HD2  PHE  11           2HD      PHE  11 -12.282  -6.064  -2.148
   60    HE1  PHE  11           1HE      PHE  11 -12.479  -4.635  -6.851
   61    HE2  PHE  11           2HE      PHE  11 -14.460  -5.844  -3.275
   62    HZ   PHE  11           HZ       PHE  11 -14.560  -5.128  -5.629
   63    H    LYS  12           H        LYS  12  -9.541  -3.964  -0.681
   64    HA   LYS  12           HA       LYS  12 -10.556  -1.286  -0.899
   65   1HB   LYS  12          2HB       LYS  12 -12.803  -1.802  -0.008
   66   2HB   LYS  12          1HB       LYS  12 -12.548  -2.504  -1.600
   67   1HG   LYS  12          2HG       LYS  12 -12.306  -4.680  -0.704
   68   2HG   LYS  12          1HG       LYS  12 -12.189  -4.062   0.945
   69   1HD   LYS  12          2HD       LYS  12 -14.555  -3.107   0.487
   70   2HD   LYS  12          1HD       LYS  12 -14.591  -4.283  -0.830
   71   1HE   LYS  12          2HE       LYS  12 -15.595  -5.218   1.177
   72   2HE   LYS  12          1HE       LYS  12 -14.109  -6.076   0.769
   73   1HZ   LYS  12          1HZ       LYS  12 -14.741  -4.511   3.102
   74   2HZ   LYS  12          2HZ       LYS  12 -13.239  -4.124   2.428
   75   3HZ   LYS  12          3HZ       LYS  12 -13.572  -5.716   2.894
   76    H    GLY  13           H        GLY  13  -8.467  -1.716   0.444
   77   1HA   GLY  13          2HA       GLY  13  -7.596  -1.292   2.541
   78   2HA   GLY  13          1HA       GLY  13  -9.223  -1.375   3.203
   79    H    LYS  14           H        LYS  14  -7.163  -3.678   1.454
   80    HA   LYS  14           HA       LYS  14  -7.369  -5.513   3.715
   81   1HB   LYS  14          2HB       LYS  14  -8.970  -6.246   2.042
   82   2HB   LYS  14          1HB       LYS  14  -7.760  -6.121   0.777
   83   1HG   LYS  14          2HG       LYS  14  -7.499  -8.036   3.079
   84   2HG   LYS  14          1HG       LYS  14  -8.326  -8.447   1.573
   85   1HD   LYS  14          2HD       LYS  14  -6.225  -7.735   0.389
   86   2HD   LYS  14          1HD       LYS  14  -5.452  -7.673   1.957
   87   1HE   LYS  14          2HE       LYS  14  -5.985 -10.050   2.304
   88   2HE   LYS  14          1HE       LYS  14  -6.725 -10.106   0.704
   89   1HZ   LYS  14          1HZ       LYS  14  -3.881  -9.366   1.176
   90   2HZ   LYS  14          2HZ       LYS  14  -4.630  -9.693  -0.310
   91   3HZ   LYS  14          3HZ       LYS  14  -4.396 -10.939   0.806
   92    H    CYS  15           H        CYS  15  -5.415  -5.994   4.415
   93    HA   CYS  15           HA       CYS  15  -3.214  -6.437   2.605
   94   1HB   CYS  15          2HB       CYS  15  -3.080  -4.359   4.806
   95   2HB   CYS  15          1HB       CYS  15  -1.739  -4.892   3.815
   96    H    TYR  16           H        TYR  16  -2.115  -8.153   3.329
   97    HA   TYR  16           HA       TYR  16  -2.644  -9.097   6.048
   98   1HB   TYR  16          2HB       TYR  16  -1.600 -10.392   3.549
   99   2HB   TYR  16          1HB       TYR  16  -1.312 -11.139   5.116
  100    HD1  TYR  16           1HD      TYR  16  -2.575 -13.118   4.399
  101    HD2  TYR  16           2HD      TYR  16  -4.411  -9.285   4.593
  102    HE1  TYR  16           1HE      TYR  16  -4.791 -14.180   4.310
  103    HE2  TYR  16           2HE      TYR  16  -6.629 -10.337   4.503
  104    HH   TYR  16           HH       TYR  16  -7.263 -13.365   5.170
  105    H    THR  17           H        THR  17  -0.069  -8.016   3.957
  106    HA   THR  17           HA       THR  17   2.107  -8.732   5.590
  107    HB   THR  17           HB       THR  17   2.050  -6.351   3.739
  108    HG1  THR  17           1HG      THR  17   1.212  -8.031   2.525
  109   1HG2  THR  17          1HG2      THR  17   4.333  -6.542   3.649
  110   2HG2  THR  17          2HG2      THR  17   4.310  -8.277   3.957
  111   3HG2  THR  17          3HG2      THR  17   4.061  -7.142   5.283
  112    HA   PRO  18           HA       PRO  18   1.276  -5.942   8.995
  113   1HB   PRO  18          2HB       PRO  18   4.064  -6.657   9.678
  114   2HB   PRO  18          1HB       PRO  18   2.602  -6.769  10.660
  115   1HG   PRO  18          2HG       PRO  18   3.747  -8.955   9.627
  116   2HG   PRO  18          1HG       PRO  18   1.985  -8.804   9.758
  117   1HD   PRO  18          2HD       PRO  18   3.740  -8.535   7.359
  118   2HD   PRO  18          1HD       PRO  18   2.107  -9.220   7.495
  119    H    GLY  19           H        GLY  19   1.515  -3.828   9.063
  120   1HA   GLY  19          2HA       GLY  19   2.746  -1.816   9.143
  121   2HA   GLY  19          1HA       GLY  19   4.053  -2.611   8.280
  122    H    CYS  20           H        CYS  20   1.607  -3.625   6.501
  123    HA   CYS  20           HA       CYS  20   1.942  -1.427   4.625
  124   1HB   CYS  20          2HB       CYS  20   0.584  -4.093   4.282
  125   2HB   CYS  20          1HB       CYS  20   0.811  -2.906   3.012
  126    H    SER  21           H        SER  21   0.327  -0.240   3.755
  127    HA   SER  21           HA       SER  21  -2.373  -0.513   4.854
  128   1HB   SER  21          2HB       SER  21  -2.403   2.044   5.020
  129   2HB   SER  21          1HB       SER  21  -1.471   1.190   6.251
  130    HG   SER  21           HG       SER  21   0.408   1.655   5.062
  131    H    CYS  22           H        CYS  22  -4.002   0.116   3.422
  132    HA   CYS  22           HA       CYS  22  -3.318   0.061   0.652
  133   1HB   CYS  22          2HB       CYS  22  -5.430  -0.871   1.757
  134   2HB   CYS  22          1HB       CYS  22  -6.016   0.786   1.798
  135    H    SER  23           H        SER  23  -1.871   1.976   0.889
  136    HA   SER  23           HA       SER  23  -2.862   4.571   1.313
  137   1HB   SER  23          2HB       SER  23  -0.408   3.759  -0.257
  138   2HB   SER  23          1HB       SER  23  -0.709   5.324   0.500
  139    HG   SER  23           HG       SER  23  -1.002   3.711   2.452
  140    H    LYS  24           H        LYS  24  -2.694   2.596  -1.598
  141    HA   LYS  24           HA       LYS  24  -4.407   4.477  -2.934
  142   1HB   LYS  24          2HB       LYS  24  -2.925   4.710  -4.928
  143   2HB   LYS  24          1HB       LYS  24  -2.331   5.533  -3.494
  144   1HG   LYS  24          2HG       LYS  24  -0.611   3.992  -3.174
  145   2HG   LYS  24          1HG       LYS  24  -1.378   2.783  -4.207
  146   1HD   LYS  24          2HD       LYS  24  -0.258   5.418  -5.160
  147   2HD   LYS  24          1HD       LYS  24   0.570   3.863  -5.278
  148   1HE   LYS  24          2HE       LYS  24  -1.229   2.999  -6.682
  149   2HE   LYS  24          1HE       LYS  24  -2.091   4.531  -6.538
  150   1HZ   LYS  24          1HZ       LYS  24  -0.973   4.569  -8.593
  151   2HZ   LYS  24          2HZ       LYS  24   0.479   4.021  -7.921
  152   3HZ   LYS  24          3HZ       LYS  24  -0.078   5.579  -7.573
  153    H    TYR  25           H        TYR  25  -5.875   3.306  -3.831
  154    HA   TYR  25           HA       TYR  25  -5.795   0.539  -4.217
  155   1HB   TYR  25          2HB       TYR  25  -7.865   1.793  -3.947
  156   2HB   TYR  25          1HB       TYR  25  -7.563   2.673  -5.437
  157    HD1  TYR  25           1HD      TYR  25  -8.048  -0.823  -4.204
  158    HD2  TYR  25           2HD      TYR  25  -8.580   1.952  -7.384
  159    HE1  TYR  25           1HE      TYR  25  -9.326  -2.510  -5.457
  160    HE2  TYR  25           2HE      TYR  25  -9.858   0.273  -8.645
  161    HH   TYR  25           HH       TYR  25 -11.079  -2.519  -7.270
  162    HA   PRO  26           HA       PRO  26  -6.038  -1.044  -5.054
  163   1HB   PRO  26          2HB       PRO  26  -5.617  -3.148  -6.636
  164   2HB   PRO  26          1HB       PRO  26  -6.870  -1.964  -7.026
  165   1HG   PRO  26          2HG       PRO  26  -4.287  -2.452  -8.354
  166   2HG   PRO  26          1HG       PRO  26  -5.731  -1.639  -8.976
  167   1HD   PRO  26          2HD       PRO  26  -3.339  -0.468  -7.776
  168   2HD   PRO  26          1HD       PRO  26  -4.670   0.342  -8.630
  169    H    LEU  27           H        LEU  27  -3.257  -0.019  -4.739
  170    HA   LEU  27           HA       LEU  27  -1.936  -2.577  -4.127
  171   1HB   LEU  27          2HB       LEU  27  -0.723  -0.004  -5.092
  172   2HB   LEU  27          1HB       LEU  27   0.220  -1.333  -4.438
  173    HG   LEU  27           HG       LEU  27  -1.646  -1.727  -6.738
  174   1HD1  LEU  27          1HD1      LEU  27   1.016  -1.613  -7.674
  175   2HD1  LEU  27          2HD1      LEU  27   0.733  -0.145  -6.737
  176   3HD1  LEU  27          3HD1      LEU  27  -0.327  -0.547  -8.089
  177   1HD2  LEU  27          1HD2      LEU  27  -0.448  -3.707  -7.125
  178   2HD2  LEU  27          2HD2      LEU  27  -0.672  -3.641  -5.377
  179   3HD2  LEU  27          3HD2      LEU  27   0.882  -3.203  -6.083
  180    H    CYS  28           H        CYS  28  -1.023  -2.882  -2.242
  181    HA   CYS  28           HA       CYS  28  -1.597  -0.942  -0.147
  182   1HB   CYS  28          2HB       CYS  28  -2.055  -3.471   0.031
  183   2HB   CYS  28          1HB       CYS  28  -0.317  -3.640   0.249
  184    H    ALA  29           H        ALA  29  -0.027   0.041   1.095
  185    HA   ALA  29           HA       ALA  29   2.691  -0.101  -0.021
  186   1HB   ALA  29          1HB       ALA  29   1.917   2.054  -0.416
  187   2HB   ALA  29          2HB       ALA  29   2.879   2.221   1.052
  188   3HB   ALA  29          3HB       ALA  29   1.119   2.159   1.152
  189    H    LYS  30           H        LYS  30   4.336  -0.634   1.210
  190    HA   LYS  30           HA       LYS  30   3.921  -1.406   3.960
  191   1HB   LYS  30          2HB       LYS  30   5.333  -2.818   2.623
  192   2HB   LYS  30          1HB       LYS  30   6.301  -1.454   2.092
  193   1HG   LYS  30          2HG       LYS  30   7.549  -2.742   3.671
  194   2HG   LYS  30          1HG       LYS  30   7.132  -1.191   4.400
  195   1HD   LYS  30          2HD       LYS  30   5.299  -2.257   5.619
  196   2HD   LYS  30          1HD       LYS  30   5.705  -3.808   4.877
  197   1HE   LYS  30          2HE       LYS  30   7.907  -3.741   5.919
  198   2HE   LYS  30          1HE       LYS  30   7.534  -2.174   6.634
  199   1HZ   LYS  30          1HZ       LYS  30   7.128  -4.586   7.801
  200   2HZ   LYS  30          2HZ       LYS  30   5.579  -4.184   7.252
  201   3HZ   LYS  30          3HZ       LYS  30   6.415  -3.131   8.280
  202    H    ASN  31           H        ASN  31   3.605   0.320   5.223
  203    HA   ASN  31           HA       ASN  31   3.799   2.357   6.170
  204   1HB   ASN  31          2HB       ASN  31   6.032   2.885   7.143
  205   2HB   ASN  31          1HB       ASN  31   5.456   1.267   7.502
  206   1HD2  ASN  31          1HD2      ASN  31   7.863   3.169   5.946
  207   2HD2  ASN  31          2HD2      ASN  31   8.912   1.868   5.509
  Start of MODEL   15
    1    H    GLY   1           H        GLY   1   3.282   3.308   2.549
    2   1HA   GLY   1          2HA       GLY   1   3.398   5.118   0.897
    3   2HA   GLY   1          1HA       GLY   1   4.925   5.584   1.631
    4    H    SER   2           H        SER   2   5.874   2.844   1.894
    5    HA   SER   2           HA       SER   2   6.980   2.583  -0.749
    6   1HB   SER   2          2HB       SER   2   7.384   0.847   1.696
    7   2HB   SER   2          1HB       SER   2   8.382   0.846   0.241
    8    HG   SER   2           HG       SER   2   8.159   2.807   2.248
    9    H    ILE   3           H        ILE   3   5.378   1.882  -2.155
   10    HA   ILE   3           HA       ILE   3   3.602  -0.259  -1.620
   11    HB   ILE   3           HB       ILE   3   4.457   0.946  -4.256
   12   1HG1  ILE   3          2HG1      ILE   3   1.959   1.638  -4.175
   13   2HG1  ILE   3          1HG1      ILE   3   2.069   1.272  -2.458
   14   1HG2  ILE   3          1HG2      ILE   3   2.253  -0.284  -4.995
   15   2HG2  ILE   3          2HG2      ILE   3   2.691  -1.379  -3.684
   16   3HG2  ILE   3          3HG2      ILE   3   3.811  -1.110  -5.019
   17   1HD1  ILE   3          1HD1      ILE   3   2.891   3.277  -2.088
   18   2HD1  ILE   3          2HD1      ILE   3   2.798   3.638  -3.812
   19   3HD1  ILE   3          3HD1      ILE   3   4.263   2.923  -3.138
   20    HA   PRO   4           HA       PRO   4   6.731  -2.859  -4.484
   21   1HB   PRO   4          2HB       PRO   4   9.204  -1.489  -3.532
   22   2HB   PRO   4          1HB       PRO   4   8.851  -2.215  -5.105
   23   1HG   PRO   4          2HG       PRO   4   8.807   0.416  -4.820
   24   2HG   PRO   4          1HG       PRO   4   7.575  -0.400  -5.801
   25   1HD   PRO   4          2HD       PRO   4   7.363   0.731  -3.044
   26   2HD   PRO   4          1HD       PRO   4   6.173   0.739  -4.361
   27    H    ALA   5           H        ALA   5   7.387  -1.655  -1.256
   28    HA   ALA   5           HA       ALA   5   8.927  -3.826  -0.330
   29   1HB   ALA   5          1HB       ALA   5   9.018  -1.905   0.993
   30   2HB   ALA   5          2HB       ALA   5   8.067  -3.037   1.954
   31   3HB   ALA   5          3HB       ALA   5   7.262  -1.751   1.054
   32    H    CYS   6           H        CYS   6   5.445  -3.158  -0.106
   33    HA   CYS   6           HA       CYS   6   4.901  -5.736   1.078
   34   1HB   CYS   6          2HB       CYS   6   2.811  -3.902  -0.057
   35   2HB   CYS   6          1HB       CYS   6   2.698  -4.986   1.326
   36    H    GLY   7           H        GLY   7   3.998  -4.091  -1.946
   37   1HA   GLY   7          2HA       GLY   7   3.891  -4.946  -4.087
   38   2HA   GLY   7          1HA       GLY   7   4.380  -6.507  -3.458
   39    H    GLU   8           H        GLU   8   2.181  -6.697  -1.518
   40    HA   GLU   8           HA       GLU   8   0.299  -7.851  -3.298
   41   1HB   GLU   8          2HB       GLU   8  -0.677  -8.838  -1.492
   42   2HB   GLU   8          1HB       GLU   8   0.914  -8.502  -0.833
   43   1HG   GLU   8          2HG       GLU   8  -1.221  -6.474  -0.462
   44   2HG   GLU   8          1HG       GLU   8  -1.292  -7.954   0.488
   45    H    SER   9           H        SER   9  -1.884  -7.458  -3.514
   46    HA   SER   9           HA       SER   9  -2.566  -4.626  -3.538
   47   1HB   SER   9          2HB       SER   9  -4.079  -6.953  -4.748
   48   2HB   SER   9          1HB       SER   9  -4.302  -5.238  -5.099
   49    HG   SER   9           HG       SER   9  -1.736  -5.903  -5.484
   50    H    CYS  10           H        CYS  10  -4.465  -3.842  -2.572
   51    HA   CYS  10           HA       CYS  10  -5.318  -5.398  -0.271
   52   1HB   CYS  10          2HB       CYS  10  -6.171  -3.390   0.607
   53   2HB   CYS  10          1HB       CYS  10  -4.706  -2.914  -0.227
   54    H    PHE  11           H        PHE  11  -6.463  -4.338  -3.344
   55    HA   PHE  11           HA       PHE  11  -8.441  -4.421  -4.439
   56   1HB   PHE  11          2HB       PHE  11  -9.364  -6.770  -4.579
   57   2HB   PHE  11          1HB       PHE  11  -7.670  -6.568  -4.990
   58    HD1  PHE  11           1HD      PHE  11  -9.919  -7.641  -2.221
   59    HD2  PHE  11           2HD      PHE  11  -6.055  -7.887  -3.989
   60    HE1  PHE  11           1HE      PHE  11  -9.322  -9.440  -0.656
   61    HE2  PHE  11           2HE      PHE  11  -5.453  -9.688  -2.425
   62    HZ   PHE  11           HZ       PHE  11  -7.086 -10.465  -0.756
   63    H    LYS  12           H        LYS  12  -9.022  -3.035  -2.294
   64    HA   LYS  12           HA       LYS  12 -10.772  -2.219  -1.097
   65   1HB   LYS  12          2HB       LYS  12 -12.370  -4.378  -2.487
   66   2HB   LYS  12          1HB       LYS  12 -13.052  -3.070  -1.536
   67   1HG   LYS  12          2HG       LYS  12 -12.180  -1.447  -3.138
   68   2HG   LYS  12          1HG       LYS  12 -11.489  -2.765  -4.092
   69   1HD   LYS  12          2HD       LYS  12 -13.746  -3.700  -4.397
   70   2HD   LYS  12          1HD       LYS  12 -14.417  -2.350  -3.481
   71   1HE   LYS  12          2HE       LYS  12 -12.895  -2.141  -6.075
   72   2HE   LYS  12          1HE       LYS  12 -14.643  -2.016  -5.895
   73   1HZ   LYS  12          1HZ       LYS  12 -14.351   0.142  -5.573
   74   2HZ   LYS  12          2HZ       LYS  12 -12.665  -0.021  -5.553
   75   3HZ   LYS  12          3HZ       LYS  12 -13.552  -0.203  -4.121
   76    H    GLY  13           H        GLY  13  -9.083  -3.961   0.231
   77   1HA   GLY  13          2HA       GLY  13 -10.801  -4.776   2.369
   78   2HA   GLY  13          1HA       GLY  13 -10.126  -6.144   1.501
   79    H    LYS  14           H        LYS  14  -8.989  -6.839   3.285
   80    HA   LYS  14           HA       LYS  14  -7.111  -5.149   4.624
   81   1HB   LYS  14          2HB       LYS  14  -6.546  -7.289   5.819
   82   2HB   LYS  14          1HB       LYS  14  -8.233  -6.806   5.924
   83   1HG   LYS  14          2HG       LYS  14  -8.370  -9.080   5.520
   84   2HG   LYS  14          1HG       LYS  14  -8.573  -8.396   3.908
   85   1HD   LYS  14          2HD       LYS  14  -6.043  -8.666   3.682
   86   2HD   LYS  14          1HD       LYS  14  -6.164  -9.693   5.096
   87   1HE   LYS  14          2HE       LYS  14  -6.295 -11.220   3.358
   88   2HE   LYS  14          1HE       LYS  14  -7.993 -10.932   3.741
   89   1HZ   LYS  14          1HZ       LYS  14  -6.960  -9.081   1.808
   90   2HZ   LYS  14          2HZ       LYS  14  -8.346 -10.052   1.738
   91   3HZ   LYS  14          3HZ       LYS  14  -6.844 -10.690   1.282
   92    H    CYS  15           H        CYS  15  -4.858  -5.487   4.707
   93    HA   CYS  15           HA       CYS  15  -3.707  -6.248   2.159
   94   1HB   CYS  15          2HB       CYS  15  -2.493  -5.026   4.648
   95   2HB   CYS  15          1HB       CYS  15  -1.596  -5.356   3.169
   96    H    TYR  16           H        TYR  16  -1.194  -7.154   2.911
   97    HA   TYR  16           HA       TYR  16  -1.788  -9.591   4.452
   98   1HB   TYR  16          2HB       TYR  16  -0.352  -9.430   1.798
   99   2HB   TYR  16          1HB       TYR  16  -0.296 -10.844   2.846
  100    HD1  TYR  16           1HD      TYR  16  -2.040 -12.428   2.824
  101    HD2  TYR  16           2HD      TYR  16  -2.606  -8.668   0.918
  102    HE1  TYR  16           1HE      TYR  16  -4.153 -13.238   1.863
  103    HE2  TYR  16           2HE      TYR  16  -4.718  -9.467  -0.047
  104    HH   TYR  16           HH       TYR  16  -5.582 -12.390  -0.448
  105    H    THR  17           H        THR  17   0.715  -7.435   3.177
  106    HA   THR  17           HA       THR  17   2.714  -8.487   4.937
  107    HB   THR  17           HB       THR  17   2.772  -5.889   3.390
  108    HG1  THR  17           1HG      THR  17   2.681  -7.284   1.756
  109   1HG2  THR  17          1HG2      THR  17   5.033  -5.790   3.801
  110   2HG2  THR  17          2HG2      THR  17   5.179  -7.533   4.021
  111   3HG2  THR  17          3HG2      THR  17   4.483  -6.538   5.300
  112    HA   PRO  18           HA       PRO  18   1.175  -6.362   8.541
  113   1HB   PRO  18          2HB       PRO  18   3.950  -6.797   9.478
  114   2HB   PRO  18          1HB       PRO  18   2.423  -7.231  10.247
  115   1HG   PRO  18          2HG       PRO  18   3.966  -9.086   9.090
  116   2HG   PRO  18          1HG       PRO  18   2.197  -9.176   9.023
  117   1HD   PRO  18          2HD       PRO  18   4.138  -8.373   6.908
  118   2HD   PRO  18          1HD       PRO  18   2.592  -9.234   6.757
  119    H    GLY  19           H        GLY  19   1.059  -4.278   8.905
  120   1HA   GLY  19          2HA       GLY  19   1.886  -2.142   9.424
  121   2HA   GLY  19          1HA       GLY  19   3.436  -2.599   8.735
  122    H    CYS  20           H        CYS  20   1.434  -3.637   6.424
  123    HA   CYS  20           HA       CYS  20   1.793  -1.177   4.912
  124   1HB   CYS  20          2HB       CYS  20   0.804  -3.881   4.000
  125   2HB   CYS  20          1HB       CYS  20   1.169  -2.509   2.958
  126    H    SER  21           H        SER  21   0.171  -0.086   3.839
  127    HA   SER  21           HA       SER  21  -2.597  -0.748   4.557
  128   1HB   SER  21          2HB       SER  21  -1.393   2.029   4.734
  129   2HB   SER  21          1HB       SER  21  -3.062   1.586   5.099
  130    HG   SER  21           HG       SER  21  -1.471   0.011   6.522
  131    H    CYS  22           H        CYS  22  -4.118  -0.192   2.986
  132    HA   CYS  22           HA       CYS  22  -3.089   0.092   0.330
  133   1HB   CYS  22          2HB       CYS  22  -5.127  -1.276   1.036
  134   2HB   CYS  22          1HB       CYS  22  -5.995   0.254   1.115
  135    H    SER  23           H        SER  23  -2.137   2.274   1.345
  136    HA   SER  23           HA       SER  23  -3.896   4.536   1.241
  137   1HB   SER  23          2HB       SER  23  -0.874   4.551   1.089
  138   2HB   SER  23          1HB       SER  23  -1.930   5.840   1.668
  139    HG   SER  23           HG       SER  23  -2.066   4.888   3.548
  140    H    LYS  24           H        LYS  24  -2.264   2.617  -0.995
  141    HA   LYS  24           HA       LYS  24  -2.626   4.621  -3.111
  142   1HB   LYS  24          2HB       LYS  24  -0.552   2.426  -2.950
  143   2HB   LYS  24          1HB       LYS  24  -0.772   3.521  -4.310
  144   1HG   LYS  24          2HG       LYS  24  -0.066   4.391  -1.516
  145   2HG   LYS  24          1HG       LYS  24   1.099   4.141  -2.812
  146   1HD   LYS  24          2HD       LYS  24  -1.171   6.131  -2.805
  147   2HD   LYS  24          1HD       LYS  24   0.540   6.503  -2.599
  148   1HE   LYS  24          2HE       LYS  24  -0.717   5.288  -5.059
  149   2HE   LYS  24          1HE       LYS  24  -0.233   6.973  -4.879
  150   1HZ   LYS  24          1HZ       LYS  24   1.357   4.683  -5.513
  151   2HZ   LYS  24          2HZ       LYS  24   2.006   5.564  -4.223
  152   3HZ   LYS  24          3HZ       LYS  24   1.712   6.327  -5.704
  153    H    TYR  25           H        TYR  25  -4.797   3.488  -2.715
  154    HA   TYR  25           HA       TYR  25  -5.576   0.989  -3.319
  155   1HB   TYR  25          2HB       TYR  25  -7.162   2.694  -2.722
  156   2HB   TYR  25          1HB       TYR  25  -6.819   3.603  -4.187
  157    HD1  TYR  25           1HD      TYR  25  -8.239   3.394  -5.988
  158    HD2  TYR  25           2HD      TYR  25  -8.123   0.269  -3.103
  159    HE1  TYR  25           1HE      TYR  25 -10.105   2.279  -7.132
  160    HE2  TYR  25           2HE      TYR  25  -9.989  -0.858  -4.245
  161    HH   TYR  25           HH       TYR  25 -10.964  -0.120  -7.329
  162    HA   PRO  26           HA       PRO  26  -6.302  -0.466  -3.991
  163   1HB   PRO  26          2HB       PRO  26  -6.475  -2.721  -5.408
  164   2HB   PRO  26          1HB       PRO  26  -7.570  -1.367  -5.710
  165   1HG   PRO  26          2HG       PRO  26  -5.317  -2.360  -7.341
  166   2HG   PRO  26          1HG       PRO  26  -6.734  -1.422  -7.835
  167   1HD   PRO  26          2HD       PRO  26  -4.069  -0.473  -7.225
  168   2HD   PRO  26          1HD       PRO  26  -5.461   0.453  -7.821
  169    H    LEU  27           H        LEU  27  -3.336   0.034  -4.358
  170    HA   LEU  27           HA       LEU  27  -2.321  -2.640  -3.674
  171   1HB   LEU  27          2HB       LEU  27  -0.960  -0.189  -4.753
  172   2HB   LEU  27          1HB       LEU  27  -0.065  -1.541  -4.087
  173    HG   LEU  27           HG       LEU  27  -2.041  -1.924  -6.299
  174   1HD1  LEU  27          1HD1      LEU  27  -0.192  -1.763  -7.890
  175   2HD1  LEU  27          2HD1      LEU  27   0.896  -1.294  -6.583
  176   3HD1  LEU  27          3HD1      LEU  27  -0.435  -0.233  -7.046
  177   1HD2  LEU  27          1HD2      LEU  27   0.098  -3.671  -6.539
  178   2HD2  LEU  27          2HD2      LEU  27  -1.504  -4.044  -5.900
  179   3HD2  LEU  27          3HD2      LEU  27  -0.204  -3.577  -4.804
  180    H    CYS  28           H        CYS  28  -1.124  -3.001  -1.873
  181    HA   CYS  28           HA       CYS  28  -1.523  -1.082   0.279
  182   1HB   CYS  28          2HB       CYS  28  -0.437  -3.903   0.251
  183   2HB   CYS  28          1HB       CYS  28  -0.585  -2.920   1.705
  184    H    ALA  29           H        ALA  29  -0.019   0.254   1.002
  185    HA   ALA  29           HA       ALA  29   2.742  -0.105   0.054
  186   1HB   ALA  29          1HB       ALA  29   1.666   1.878  -0.851
  187   2HB   ALA  29          2HB       ALA  29   2.959   2.330   0.259
  188   3HB   ALA  29          3HB       ALA  29   1.278   2.429   0.778
  189    H    LYS  30           H        LYS  30   4.380  -0.113   1.478
  190    HA   LYS  30           HA       LYS  30   3.748  -0.358   4.281
  191   1HB   LYS  30          2HB       LYS  30   5.439  -1.799   3.097
  192   2HB   LYS  30          1HB       LYS  30   6.465  -0.380   2.949
  193   1HG   LYS  30          2HG       LYS  30   7.019  -1.945   4.830
  194   2HG   LYS  30          1HG       LYS  30   6.792  -0.255   5.284
  195   1HD   LYS  30          2HD       LYS  30   4.705  -0.676   6.252
  196   2HD   LYS  30          1HD       LYS  30   4.534  -2.225   5.424
  197   1HE   LYS  30          2HE       LYS  30   6.694  -1.720   7.448
  198   2HE   LYS  30          1HE       LYS  30   5.087  -2.279   7.911
  199   1HZ   LYS  30          1HZ       LYS  30   6.311  -3.779   5.767
  200   2HZ   LYS  30          2HZ       LYS  30   5.483  -4.325   7.140
  201   3HZ   LYS  30          3HZ       LYS  30   7.119  -3.896   7.250
  202    H    ASN  31           H        ASN  31   2.942   1.748   4.577
  203    HA   ASN  31           HA       ASN  31   3.012   3.904   5.251
  204   1HB   ASN  31          2HB       ASN  31   4.877   2.778   6.736
  205   2HB   ASN  31          1HB       ASN  31   5.972   3.725   5.735
  206   1HD2  ASN  31          1HD2      ASN  31   4.428   3.716   8.578
  207   2HD2  ASN  31          2HD2      ASN  31   4.270   5.412   8.854
  Start of MODEL   16
    1    H    GLY   1           H        GLY   1   3.447   2.459   3.291
    2   1HA   GLY   1          2HA       GLY   1   3.121   4.458   2.008
    3   2HA   GLY   1          1HA       GLY   1   4.633   5.074   2.649
    4    H    SER   2           H        SER   2   5.898   2.378   2.102
    5    HA   SER   2           HA       SER   2   6.653   2.998  -0.635
    6   1HB   SER   2          2HB       SER   2   8.397   2.531   1.053
    7   2HB   SER   2          1HB       SER   2   7.758   0.898   1.245
    8    HG   SER   2           HG       SER   2   9.602   1.514  -0.371
    9    H    ILE   3           H        ILE   3   5.479   2.187  -2.224
   10    HA   ILE   3           HA       ILE   3   3.796  -0.072  -1.967
   11    HB   ILE   3           HB       ILE   3   4.675   1.494  -4.385
   12   1HG1  ILE   3          2HG1      ILE   3   2.147   1.992  -4.381
   13   2HG1  ILE   3          1HG1      ILE   3   2.151   1.341  -2.747
   14   1HG2  ILE   3          1HG2      ILE   3   2.913  -0.934  -4.256
   15   2HG2  ILE   3          2HG2      ILE   3   4.318  -0.647  -5.281
   16   3HG2  ILE   3          3HG2      ILE   3   2.820   0.236  -5.572
   17   1HD1  ILE   3          1HD1      ILE   3   2.728   3.328  -1.988
   18   2HD1  ILE   3          2HD1      ILE   3   2.817   3.954  -3.636
   19   3HD1  ILE   3          3HD1      ILE   3   4.241   3.226  -2.891
   20    HA   PRO   4           HA       PRO   4   7.071  -2.311  -4.895
   21   1HB   PRO   4          2HB       PRO   4   9.503  -0.892  -3.923
   22   2HB   PRO   4          1HB       PRO   4   9.126  -1.511  -5.536
   23   1HG   PRO   4          2HG       PRO   4   9.004   1.093  -5.038
   24   2HG   PRO   4          1HG       PRO   4   7.786   0.311  -6.065
   25   1HD   PRO   4          2HD       PRO   4   7.576   1.202  -3.219
   26   2HD   PRO   4          1HD       PRO   4   6.370   1.285  -4.519
   27    H    ALA   5           H        ALA   5   7.920  -1.124  -1.685
   28    HA   ALA   5           HA       ALA   5   9.324  -3.504  -0.930
   29   1HB   ALA   5          1HB       ALA   5  10.032  -2.224   0.738
   30   2HB   ALA   5          2HB       ALA   5   8.387  -2.020   1.337
   31   3HB   ALA   5          3HB       ALA   5   9.023  -0.920   0.115
   32    H    CYS   6           H        CYS   6   6.025  -2.494  -0.926
   33    HA   CYS   6           HA       CYS   6   5.194  -4.410   1.054
   34   1HB   CYS   6          2HB       CYS   6   4.029  -2.240   0.726
   35   2HB   CYS   6          1HB       CYS   6   3.473  -2.820  -0.843
   36    H    GLY   7           H        GLY   7   4.421  -4.021  -2.421
   37   1HA   GLY   7          2HA       GLY   7   4.250  -5.689  -4.043
   38   2HA   GLY   7          1HA       GLY   7   4.589  -6.894  -2.807
   39    H    GLU   8           H        GLU   8   2.557  -6.032  -0.997
   40    HA   GLU   8           HA       GLU   8   0.390  -7.606  -1.748
   41   1HB   GLU   8          2HB       GLU   8   0.990  -6.956   0.574
   42   2HB   GLU   8          1HB       GLU   8   0.423  -5.326   0.239
   43   1HG   GLU   8          2HG       GLU   8  -1.444  -6.116   1.210
   44   2HG   GLU   8          1HG       GLU   8  -1.774  -6.672  -0.430
   45    H    SER   9           H        SER   9  -1.591  -7.190  -2.656
   46    HA   SER   9           HA       SER   9  -2.068  -4.438  -3.592
   47   1HB   SER   9          2HB       SER   9  -2.795  -6.985  -5.059
   48   2HB   SER   9          1HB       SER   9  -3.040  -5.336  -5.635
   49    HG   SER   9           HG       SER   9  -0.450  -6.049  -4.894
   50    H    CYS  10           H        CYS  10  -3.784  -3.611  -2.606
   51    HA   CYS  10           HA       CYS  10  -5.778  -5.354  -1.421
   52   1HB   CYS  10          2HB       CYS  10  -6.664  -3.143  -0.524
   53   2HB   CYS  10          1HB       CYS  10  -5.063  -3.620   0.022
   54    H    PHE  11           H        PHE  11  -5.970  -5.623  -4.089
   55    HA   PHE  11           HA       PHE  11  -7.672  -3.778  -5.368
   56   1HB   PHE  11          2HB       PHE  11  -8.108  -5.695  -6.978
   57   2HB   PHE  11          1HB       PHE  11  -6.434  -5.198  -6.784
   58    HD1  PHE  11           1HD      PHE  11  -4.795  -6.716  -6.088
   59    HD2  PHE  11           2HD      PHE  11  -8.903  -7.787  -5.815
   60    HE1  PHE  11           1HE      PHE  11  -4.153  -9.042  -5.615
   61    HE2  PHE  11           2HE      PHE  11  -8.268 -10.114  -5.331
   62    HZ   PHE  11           HZ       PHE  11  -5.890 -10.745  -5.233
   63    H    LYS  12           H        LYS  12  -8.346  -6.691  -3.505
   64    HA   LYS  12           HA       LYS  12 -11.071  -5.784  -3.077
   65   1HB   LYS  12          2HB       LYS  12 -10.434  -8.437  -4.384
   66   2HB   LYS  12          1HB       LYS  12 -11.977  -8.082  -3.626
   67   1HG   LYS  12          2HG       LYS  12 -12.305  -6.233  -5.222
   68   2HG   LYS  12          1HG       LYS  12 -10.786  -6.670  -6.005
   69   1HD   LYS  12          2HD       LYS  12 -12.666  -7.610  -7.224
   70   2HD   LYS  12          1HD       LYS  12 -11.701  -8.897  -6.501
   71   1HE   LYS  12          2HE       LYS  12 -14.098  -9.312  -6.232
   72   2HE   LYS  12          1HE       LYS  12 -13.299  -9.095  -4.675
   73   1HZ   LYS  12          1HZ       LYS  12 -15.345  -7.886  -4.676
   74   2HZ   LYS  12          2HZ       LYS  12 -14.951  -7.093  -6.117
   75   3HZ   LYS  12          3HZ       LYS  12 -14.077  -6.765  -4.707
   76    H    GLY  13           H        GLY  13  -8.892  -5.910  -1.340
   77   1HA   GLY  13          2HA       GLY  13  -9.993  -7.324   0.828
   78   2HA   GLY  13          1HA       GLY  13  -8.675  -8.270   0.148
   79    H    LYS  14           H        LYS  14  -8.745  -7.158   2.761
   80    HA   LYS  14           HA       LYS  14  -7.195  -4.776   2.864
   81   1HB   LYS  14          2HB       LYS  14  -6.896  -5.421   5.294
   82   2HB   LYS  14          1HB       LYS  14  -8.555  -5.225   4.756
   83   1HG   LYS  14          2HG       LYS  14  -8.554  -7.127   6.130
   84   2HG   LYS  14          1HG       LYS  14  -8.620  -7.746   4.481
   85   1HD   LYS  14          2HD       LYS  14  -6.234  -8.214   4.540
   86   2HD   LYS  14          1HD       LYS  14  -6.122  -7.524   6.157
   87   1HE   LYS  14          2HE       LYS  14  -7.827  -9.903   5.445
   88   2HE   LYS  14          1HE       LYS  14  -6.190 -10.020   6.091
   89   1HZ   LYS  14          1HZ       LYS  14  -8.458  -8.680   7.462
   90   2HZ   LYS  14          2HZ       LYS  14  -6.903  -8.913   8.085
   91   3HZ   LYS  14          3HZ       LYS  14  -7.909 -10.244   7.804
   92    H    CYS  15           H        CYS  15  -5.002  -4.586   3.616
   93    HA   CYS  15           HA       CYS  15  -3.210  -6.324   2.301
   94   1HB   CYS  15          2HB       CYS  15  -2.412  -4.501   4.560
   95   2HB   CYS  15          1HB       CYS  15  -1.497  -4.930   3.118
   96    H    TYR  16           H        TYR  16  -2.144  -8.111   2.999
   97    HA   TYR  16           HA       TYR  16  -2.867  -9.157   5.612
   98   1HB   TYR  16          2HB       TYR  16  -1.356 -10.381   3.295
   99   2HB   TYR  16          1HB       TYR  16  -1.665 -11.215   4.812
  100    HD1  TYR  16           1HD      TYR  16  -3.541 -12.556   4.971
  101    HD2  TYR  16           2HD      TYR  16  -3.510  -9.417   2.100
  102    HE1  TYR  16           1HE      TYR  16  -5.713 -13.325   4.115
  103    HE2  TYR  16           2HE      TYR  16  -5.684 -10.174   1.239
  104    HH   TYR  16           HH       TYR  16  -7.057 -12.149   1.189
  105    H    THR  17           H        THR  17   0.021  -8.243   3.795
  106    HA   THR  17           HA       THR  17   1.843  -8.921   5.852
  107    HB   THR  17           HB       THR  17   2.735  -8.807   3.671
  108    HG1  THR  17           1HG      THR  17   4.094  -7.924   5.373
  109   1HG2  THR  17          1HG2      THR  17   2.805  -6.260   2.746
  110   2HG2  THR  17          2HG2      THR  17   1.225  -6.304   3.528
  111   3HG2  THR  17          3HG2      THR  17   1.616  -7.470   2.263
  112    HA   PRO  18           HA       PRO  18   0.901  -5.705   8.769
  113   1HB   PRO  18          2HB       PRO  18   3.559  -6.567   9.782
  114   2HB   PRO  18          1HB       PRO  18   2.021  -6.423  10.639
  115   1HG   PRO  18          2HG       PRO  18   2.993  -8.815   9.971
  116   2HG   PRO  18          1HG       PRO  18   1.254  -8.475   9.884
  117   1HD   PRO  18          2HD       PRO  18   3.264  -8.648   7.680
  118   2HD   PRO  18          1HD       PRO  18   1.568  -9.166   7.702
  119    H    GLY  19           H        GLY  19   1.380  -3.603   8.782
  120   1HA   GLY  19          2HA       GLY  19   2.921  -1.775   8.788
  121   2HA   GLY  19          1HA       GLY  19   4.028  -2.755   7.834
  122    H    CYS  20           H        CYS  20   1.583  -3.621   6.172
  123    HA   CYS  20           HA       CYS  20   1.819  -1.360   4.350
  124   1HB   CYS  20          2HB       CYS  20   0.612  -4.088   4.002
  125   2HB   CYS  20          1HB       CYS  20   0.510  -2.826   2.788
  126    H    SER  21           H        SER  21   0.158  -0.239   3.502
  127    HA   SER  21           HA       SER  21  -2.496  -0.545   4.698
  128   1HB   SER  21          2HB       SER  21  -1.035   2.100   4.436
  129   2HB   SER  21          1HB       SER  21  -2.661   1.862   5.078
  130    HG   SER  21           HG       SER  21  -0.998   0.256   6.394
  131    H    CYS  22           H        CYS  22  -4.175   0.039   3.306
  132    HA   CYS  22           HA       CYS  22  -3.517   0.017   0.512
  133   1HB   CYS  22          2HB       CYS  22  -5.523  -1.123   1.603
  134   2HB   CYS  22          1HB       CYS  22  -6.251   0.475   1.716
  135    H    SER  23           H        SER  23  -2.280   2.168   1.365
  136    HA   SER  23           HA       SER  23  -3.915   4.547   1.146
  137   1HB   SER  23          2HB       SER  23  -0.893   4.316   1.310
  138   2HB   SER  23          1HB       SER  23  -1.881   5.739   1.668
  139    HG   SER  23           HG       SER  23  -2.495   4.869   3.539
  140    H    LYS  24           H        LYS  24  -3.297   2.519  -1.091
  141    HA   LYS  24           HA       LYS  24  -3.050   4.466  -3.218
  142   1HB   LYS  24          2HB       LYS  24  -0.998   2.289  -2.773
  143   2HB   LYS  24          1HB       LYS  24  -1.252   3.036  -4.342
  144   1HG   LYS  24          2HG       LYS  24  -0.528   4.578  -1.867
  145   2HG   LYS  24          1HG       LYS  24   0.656   3.944  -3.010
  146   1HD   LYS  24          2HD       LYS  24  -0.201   5.307  -4.771
  147   2HD   LYS  24          1HD       LYS  24  -1.605   5.769  -3.807
  148   1HE   LYS  24          2HE       LYS  24   1.260   6.470  -3.180
  149   2HE   LYS  24          1HE       LYS  24   0.079   7.556  -3.913
  150   1HZ   LYS  24          1HZ       LYS  24   0.472   6.927  -1.174
  151   2HZ   LYS  24          2HZ       LYS  24  -1.120   6.569  -1.631
  152   3HZ   LYS  24          3HZ       LYS  24  -0.500   8.129  -1.865
  153    H    TYR  25           H        TYR  25  -5.292   3.152  -2.673
  154    HA   TYR  25           HA       TYR  25  -5.772   0.591  -3.504
  155   1HB   TYR  25          2HB       TYR  25  -7.443   2.234  -2.553
  156   2HB   TYR  25          1HB       TYR  25  -7.582   2.926  -4.165
  157    HD1  TYR  25           1HD      TYR  25  -7.880  -0.345  -2.392
  158    HD2  TYR  25           2HD      TYR  25  -9.222   2.108  -5.598
  159    HE1  TYR  25           1HE      TYR  25  -9.583  -2.025  -2.955
  160    HE2  TYR  25           2HE      TYR  25 -10.932   0.433  -6.169
  161    HH   TYR  25           HH       TYR  25 -10.903  -2.721  -4.902
  162    HA   PRO  26           HA       PRO  26  -6.562  -0.826  -4.425
  163   1HB   PRO  26          2HB       PRO  26  -6.596  -2.825  -6.188
  164   2HB   PRO  26          1HB       PRO  26  -7.818  -1.549  -6.221
  165   1HG   PRO  26          2HG       PRO  26  -5.547  -2.030  -8.055
  166   2HG   PRO  26          1HG       PRO  26  -7.086  -1.206  -8.359
  167   1HD   PRO  26          2HD       PRO  26  -4.533  -0.037  -7.722
  168   2HD   PRO  26          1HD       PRO  26  -6.068   0.791  -8.049
  169    H    LEU  27           H        LEU  27  -3.792  -0.057  -4.282
  170    HA   LEU  27           HA       LEU  27  -2.636  -2.718  -3.920
  171   1HB   LEU  27          2HB       LEU  27  -0.388  -1.756  -4.617
  172   2HB   LEU  27          1HB       LEU  27  -1.528  -2.154  -5.885
  173    HG   LEU  27           HG       LEU  27  -1.524   0.643  -4.906
  174   1HD1  LEU  27          1HD1      LEU  27   0.414   0.188  -7.032
  175   2HD1  LEU  27          2HD1      LEU  27   0.900  -0.510  -5.486
  176   3HD1  LEU  27          3HD1      LEU  27   0.524   1.210  -5.599
  177   1HD2  LEU  27          1HD2      LEU  27  -2.757  -0.710  -6.941
  178   2HD2  LEU  27          2HD2      LEU  27  -1.397   0.052  -7.766
  179   3HD2  LEU  27          3HD2      LEU  27  -2.546   1.039  -6.862
  180    H    CYS  28           H        CYS  28  -1.323  -2.966  -2.165
  181    HA   CYS  28           HA       CYS  28  -1.616  -0.930  -0.129
  182   1HB   CYS  28          2HB       CYS  28  -0.504  -3.736  -0.030
  183   2HB   CYS  28          1HB       CYS  28  -0.629  -2.673   1.366
  184    H    ALA  29           H        ALA  29   0.002   0.105   0.938
  185    HA   ALA  29           HA       ALA  29   2.678  -0.058  -0.282
  186   1HB   ALA  29          1HB       ALA  29   2.827   2.322   0.798
  187   2HB   ALA  29          2HB       ALA  29   1.066   2.238   0.743
  188   3HB   ALA  29          3HB       ALA  29   2.002   2.098  -0.745
  189    H    LYS  30           H        LYS  30   4.341  -0.596   1.010
  190    HA   LYS  30           HA       LYS  30   3.823  -1.296   3.765
  191   1HB   LYS  30          2HB       LYS  30   5.256  -2.736   2.383
  192   2HB   LYS  30          1HB       LYS  30   6.374  -1.403   2.133
  193   1HG   LYS  30          2HG       LYS  30   7.225  -2.949   3.796
  194   2HG   LYS  30          1HG       LYS  30   6.886  -1.376   4.520
  195   1HD   LYS  30          2HD       LYS  30   5.786  -2.548   6.080
  196   2HD   LYS  30          1HD       LYS  30   4.514  -2.683   4.867
  197   1HE   LYS  30          2HE       LYS  30   6.740  -4.672   5.265
  198   2HE   LYS  30          1HE       LYS  30   5.114  -4.839   5.916
  199   1HZ   LYS  30          1HZ       LYS  30   4.792  -5.988   4.030
  200   2HZ   LYS  30          2HZ       LYS  30   6.072  -5.242   3.206
  201   3HZ   LYS  30          3HZ       LYS  30   4.578  -4.458   3.338
  202    H    ASN  31           H        ASN  31   3.518   0.485   4.963
  203    HA   ASN  31           HA       ASN  31   3.926   2.413   6.068
  204   1HB   ASN  31          2HB       ASN  31   5.940   1.033   6.784
  205   2HB   ASN  31          1HB       ASN  31   6.861   1.884   5.549
  206   1HD2  ASN  31          1HD2      ASN  31   8.024   3.471   6.334
  207   2HD2  ASN  31          2HD2      ASN  31   7.608   4.481   7.670
  Start of MODEL   17
    1    H    GLY   1           H        GLY   1   3.472   2.820   2.934
    2   1HA   GLY   1          2HA       GLY   1   3.787   4.917   1.719
    3   2HA   GLY   1          1HA       GLY   1   5.281   5.131   2.617
    4    H    SER   2           H        SER   2   5.997   2.274   2.278
    5    HA   SER   2           HA       SER   2   7.207   2.581  -0.348
    6   1HB   SER   2          2HB       SER   2   7.657   0.439   1.738
    7   2HB   SER   2          1HB       SER   2   8.666   0.764   0.327
    8    HG   SER   2           HG       SER   2   8.225   2.944   1.949
    9    H    ILE   3           H        ILE   3   5.918   1.983  -1.981
   10    HA   ILE   3           HA       ILE   3   4.002  -0.105  -1.804
   11    HB   ILE   3           HB       ILE   3   5.074   1.446  -4.152
   12   1HG1  ILE   3          2HG1      ILE   3   2.614   2.136  -4.239
   13   2HG1  ILE   3          1HG1      ILE   3   2.451   1.377  -2.661
   14   1HG2  ILE   3          1HG2      ILE   3   2.841  -0.558  -4.341
   15   2HG2  ILE   3          2HG2      ILE   3   4.507  -0.929  -4.782
   16   3HG2  ILE   3          3HG2      ILE   3   3.627   0.329  -5.647
   17   1HD1  ILE   3          1HD1      ILE   3   3.133   3.240  -1.704
   18   2HD1  ILE   3          2HD1      ILE   3   3.317   3.993  -3.290
   19   3HD1  ILE   3          3HD1      ILE   3   4.672   3.131  -2.560
   20    HA   PRO   4           HA       PRO   4   7.135  -2.630  -4.623
   21   1HB   PRO   4          2HB       PRO   4   9.681  -1.366  -3.760
   22   2HB   PRO   4          1HB       PRO   4   9.200  -1.960  -5.354
   23   1HG   PRO   4          2HG       PRO   4   9.299   0.649  -4.861
   24   2HG   PRO   4          1HG       PRO   4   7.997  -0.038  -5.851
   25   1HD   PRO   4          2HD       PRO   4   7.939   0.847  -2.993
   26   2HD   PRO   4          1HD       PRO   4   6.717   1.061  -4.264
   27    H    ALA   5           H        ALA   5   8.030  -1.393  -1.460
   28    HA   ALA   5           HA       ALA   5   9.431  -3.704  -0.592
   29   1HB   ALA   5          1HB       ALA   5   9.464  -1.299   0.365
   30   2HB   ALA   5          2HB       ALA   5   9.620  -2.667   1.466
   31   3HB   ALA   5          3HB       ALA   5   8.073  -1.836   1.306
   32    H    CYS   6           H        CYS   6   6.062  -2.747  -0.541
   33    HA   CYS   6           HA       CYS   6   5.287  -4.872   1.241
   34   1HB   CYS   6          2HB       CYS   6   4.086  -2.659   1.057
   35   2HB   CYS   6          1HB       CYS   6   3.482  -3.199  -0.508
   36    H    GLY   7           H        GLY   7   4.755  -4.147  -2.202
   37   1HA   GLY   7          2HA       GLY   7   4.344  -5.501  -4.000
   38   2HA   GLY   7          1HA       GLY   7   5.211  -6.747  -3.119
   39    H    GLU   8           H        GLU   8   2.137  -5.168  -2.284
   40    HA   GLU   8           HA       GLU   8   0.606  -7.482  -3.043
   41   1HB   GLU   8          2HB       GLU   8   1.437  -8.297  -0.932
   42   2HB   GLU   8          1HB       GLU   8   1.013  -6.795  -0.128
   43   1HG   GLU   8          2HG       GLU   8  -0.547  -8.549   0.446
   44   2HG   GLU   8          1HG       GLU   8  -1.353  -7.272  -0.459
   45    H    SER   9           H        SER   9  -1.558  -7.109  -3.142
   46    HA   SER   9           HA       SER   9  -2.352  -4.304  -3.117
   47   1HB   SER   9          2HB       SER   9  -4.358  -5.148  -4.325
   48   2HB   SER   9          1HB       SER   9  -2.849  -5.600  -5.118
   49    HG   SER   9           HG       SER   9  -3.155  -7.624  -3.715
   50    H    CYS  10           H        CYS  10  -4.524  -3.721  -2.219
   51    HA   CYS  10           HA       CYS  10  -4.817  -4.985   0.385
   52   1HB   CYS  10          2HB       CYS  10  -6.315  -3.129   0.937
   53   2HB   CYS  10          1HB       CYS  10  -4.784  -2.541   0.311
   54    H    PHE  11           H        PHE  11  -6.159  -5.157  -2.682
   55    HA   PHE  11           HA       PHE  11  -7.949  -6.210  -3.596
   56   1HB   PHE  11          2HB       PHE  11  -6.819  -8.080  -2.308
   57   2HB   PHE  11          1HB       PHE  11  -8.006  -7.820  -1.037
   58    HD1  PHE  11           1HD      PHE  11  -8.388  -7.864  -4.743
   59    HD2  PHE  11           2HD      PHE  11  -9.377  -9.674  -1.021
   60    HE1  PHE  11           1HE      PHE  11  -9.948  -9.376  -5.898
   61    HE2  PHE  11           2HE      PHE  11 -10.939 -11.188  -2.168
   62    HZ   PHE  11           HZ       PHE  11 -11.226 -11.040  -4.610
   63    H    LYS  12           H        LYS  12  -8.607  -3.847  -2.526
   64    HA   LYS  12           HA       LYS  12 -10.351  -2.546  -1.911
   65   1HB   LYS  12          2HB       LYS  12 -11.923  -5.104  -2.274
   66   2HB   LYS  12          1HB       LYS  12 -12.651  -3.533  -1.985
   67   1HG   LYS  12          2HG       LYS  12 -12.828  -3.697  -4.259
   68   2HG   LYS  12          1HG       LYS  12 -11.298  -2.836  -4.107
   69   1HD   LYS  12          2HD       LYS  12 -10.071  -4.908  -4.412
   70   2HD   LYS  12          1HD       LYS  12 -11.582  -5.819  -4.472
   71   1HE   LYS  12          2HE       LYS  12 -12.235  -4.545  -6.479
   72   2HE   LYS  12          1HE       LYS  12 -10.683  -3.710  -6.433
   73   1HZ   LYS  12          1HZ       LYS  12  -9.610  -5.483  -7.263
   74   2HZ   LYS  12          2HZ       LYS  12 -11.136  -5.929  -7.837
   75   3HZ   LYS  12          3HZ       LYS  12 -10.541  -6.606  -6.406
   76    H    GLY  13           H        GLY  13  -8.795  -3.402   0.209
   77   1HA   GLY  13          2HA       GLY  13 -10.328  -2.800   2.395
   78   2HA   GLY  13          1HA       GLY  13 -10.445  -4.543   2.255
   79    H    LYS  14           H        LYS  14  -9.262  -5.426   3.714
   80    HA   LYS  14           HA       LYS  14  -7.165  -4.300   5.132
   81   1HB   LYS  14          2HB       LYS  14  -6.803  -6.711   5.873
   82   2HB   LYS  14          1HB       LYS  14  -8.399  -6.026   6.139
   83   1HG   LYS  14          2HG       LYS  14  -8.786  -8.190   5.325
   84   2HG   LYS  14          1HG       LYS  14  -9.075  -7.132   3.946
   85   1HD   LYS  14          2HD       LYS  14  -6.595  -7.574   3.387
   86   2HD   LYS  14          1HD       LYS  14  -6.762  -8.934   4.484
   87   1HE   LYS  14          2HE       LYS  14  -7.284  -9.950   2.499
   88   2HE   LYS  14          1HE       LYS  14  -8.888  -9.434   3.019
   89   1HZ   LYS  14          1HZ       LYS  14  -7.652  -8.823   0.641
   90   2HZ   LYS  14          2HZ       LYS  14  -7.567  -7.385   1.534
   91   3HZ   LYS  14          3HZ       LYS  14  -9.067  -8.116   1.250
   92    H    CYS  15           H        CYS  15  -4.974  -4.987   5.328
   93    HA   CYS  15           HA       CYS  15  -3.741  -5.614   2.743
   94   1HB   CYS  15          2HB       CYS  15  -2.694  -4.175   5.179
   95   2HB   CYS  15          1HB       CYS  15  -1.650  -4.698   3.860
   96    H    TYR  16           H        TYR  16  -2.236  -7.256   2.570
   97    HA   TYR  16           HA       TYR  16  -2.476  -9.327   4.571
   98   1HB   TYR  16          2HB       TYR  16  -0.982  -9.357   1.938
   99   2HB   TYR  16          1HB       TYR  16  -1.360 -10.756   2.937
  100    HD1  TYR  16           1HD      TYR  16  -3.249 -12.006   2.412
  101    HD2  TYR  16           2HD      TYR  16  -3.075  -7.940   1.174
  102    HE1  TYR  16           1HE      TYR  16  -5.379 -12.281   1.211
  103    HE2  TYR  16           2HE      TYR  16  -5.199  -8.204  -0.025
  104    HH   TYR  16           HH       TYR  16  -6.457 -10.827  -0.991
  105    H    THR  17           H        THR  17   0.152  -7.517   3.009
  106    HA   THR  17           HA       THR  17   2.167  -8.616   4.669
  107    HB   THR  17           HB       THR  17   2.364  -6.029   3.131
  108    HG1  THR  17           1HG      THR  17   3.127  -7.492   1.411
  109   1HG2  THR  17          1HG2      THR  17   4.577  -6.153   3.487
  110   2HG2  THR  17          2HG2      THR  17   4.621  -7.878   3.125
  111   3HG2  THR  17          3HG2      THR  17   4.190  -7.329   4.744
  112    HA   PRO  18           HA       PRO  18   1.314  -6.308   8.369
  113   1HB   PRO  18          2HB       PRO  18   4.167  -6.850   8.929
  114   2HB   PRO  18          1HB       PRO  18   2.741  -7.213   9.902
  115   1HG   PRO  18          2HG       PRO  18   4.046  -9.142   8.587
  116   2HG   PRO  18          1HG       PRO  18   2.281  -9.163   8.751
  117   1HD   PRO  18          2HD       PRO  18   3.960  -8.441   6.392
  118   2HD   PRO  18          1HD       PRO  18   2.394  -9.274   6.453
  119    H    GLY  19           H        GLY  19   1.346  -4.219   8.711
  120   1HA   GLY  19          2HA       GLY  19   2.281  -2.103   9.033
  121   2HA   GLY  19          1HA       GLY  19   3.747  -2.654   8.237
  122    H    CYS  20           H        CYS  20   1.343  -3.640   6.230
  123    HA   CYS  20           HA       CYS  20   1.784  -1.324   4.518
  124   1HB   CYS  20          2HB       CYS  20   0.405  -3.944   3.959
  125   2HB   CYS  20          1HB       CYS  20   0.654  -2.671   2.778
  126    H    SER  21           H        SER  21   0.186  -0.120   3.587
  127    HA   SER  21           HA       SER  21  -2.550  -0.406   4.613
  128   1HB   SER  21          2HB       SER  21  -1.054   2.230   4.487
  129   2HB   SER  21          1HB       SER  21  -2.701   1.982   5.066
  130    HG   SER  21           HG       SER  21  -1.175   0.336   6.432
  131    H    CYS  22           H        CYS  22  -4.114   0.083   3.043
  132    HA   CYS  22           HA       CYS  22  -3.176   0.186   0.344
  133   1HB   CYS  22          2HB       CYS  22  -5.322  -0.962   1.207
  134   2HB   CYS  22          1HB       CYS  22  -6.047   0.641   1.151
  135    H    SER  23           H        SER  23  -1.945   2.214   0.947
  136    HA   SER  23           HA       SER  23  -3.200   4.706   1.234
  137   1HB   SER  23          2HB       SER  23  -0.479   4.094   0.042
  138   2HB   SER  23          1HB       SER  23  -1.007   5.643   0.705
  139    HG   SER  23           HG       SER  23  -0.927   4.831   2.711
  140    H    LYS  24           H        LYS  24  -2.857   2.671  -1.478
  141    HA   LYS  24           HA       LYS  24  -4.159   4.650  -3.137
  142   1HB   LYS  24          2HB       LYS  24  -2.588   4.105  -5.060
  143   2HB   LYS  24          1HB       LYS  24  -1.948   5.148  -3.801
  144   1HG   LYS  24          2HG       LYS  24  -0.780   3.216  -2.823
  145   2HG   LYS  24          1HG       LYS  24  -1.389   2.207  -4.138
  146   1HD   LYS  24          2HD       LYS  24   0.894   2.931  -4.591
  147   2HD   LYS  24          1HD       LYS  24  -0.227   3.629  -5.761
  148   1HE   LYS  24          2HE       LYS  24  -0.239   5.724  -4.490
  149   2HE   LYS  24          1HE       LYS  24   0.887   5.024  -3.328
  150   1HZ   LYS  24          1HZ       LYS  24   2.599   5.016  -4.877
  151   2HZ   LYS  24          2HZ       LYS  24   1.824   6.489  -5.176
  152   3HZ   LYS  24          3HZ       LYS  24   1.555   5.170  -6.200
  153    H    TYR  25           H        TYR  25  -5.919   3.625  -3.612
  154    HA   TYR  25           HA       TYR  25  -6.367   0.883  -3.580
  155   1HB   TYR  25          2HB       TYR  25  -8.154   2.532  -3.396
  156   2HB   TYR  25          1HB       TYR  25  -7.843   3.093  -5.033
  157    HD1  TYR  25           1HD      TYR  25  -9.094   2.239  -6.782
  158    HD2  TYR  25           2HD      TYR  25  -8.848   0.020  -3.160
  159    HE1  TYR  25           1HE      TYR  25 -10.758   0.652  -7.650
  160    HE2  TYR  25           2HE      TYR  25 -10.508  -1.577  -4.022
  161    HH   TYR  25           HH       TYR  25 -12.450  -0.971  -6.653
  162    HA   PRO  26           HA       PRO  26  -6.812  -0.754  -4.028
  163   1HB   PRO  26          2HB       PRO  26  -6.996  -3.106  -5.253
  164   2HB   PRO  26          1HB       PRO  26  -8.057  -1.773  -5.725
  165   1HG   PRO  26          2HG       PRO  26  -5.790  -2.962  -7.190
  166   2HG   PRO  26          1HG       PRO  26  -7.137  -1.992  -7.807
  167   1HD   PRO  26          2HD       PRO  26  -4.443  -1.130  -7.039
  168   2HD   PRO  26          1HD       PRO  26  -5.693  -0.233  -7.931
  169    H    LEU  27           H        LEU  27  -3.844  -0.253  -4.331
  170    HA   LEU  27           HA       LEU  27  -2.885  -2.898  -3.460
  171   1HB   LEU  27          2HB       LEU  27  -0.642  -2.224  -4.217
  172   2HB   LEU  27          1HB       LEU  27  -1.817  -2.318  -5.514
  173    HG   LEU  27           HG       LEU  27  -1.339   0.333  -4.257
  174   1HD1  LEU  27          1HD1      LEU  27   0.894  -0.840  -4.726
  175   2HD1  LEU  27          2HD1      LEU  27   0.641   0.761  -5.420
  176   3HD1  LEU  27          3HD1      LEU  27   0.465  -0.676  -6.429
  177   1HD2  LEU  27          1HD2      LEU  27  -1.775  -0.527  -7.116
  178   2HD2  LEU  27          2HD2      LEU  27  -1.786   1.125  -6.498
  179   3HD2  LEU  27          3HD2      LEU  27  -3.048  -0.006  -6.012
  180    H    CYS  28           H        CYS  28  -1.458  -3.070  -1.746
  181    HA   CYS  28           HA       CYS  28  -1.714  -0.943   0.213
  182   1HB   CYS  28          2HB       CYS  28  -0.662  -3.766   0.391
  183   2HB   CYS  28          1HB       CYS  28  -0.639  -2.634   1.739
  184    H    ALA  29           H        ALA  29  -0.145   0.299   0.935
  185    HA   ALA  29           HA       ALA  29   2.541  -0.025  -0.210
  186   1HB   ALA  29          1HB       ALA  29   0.876   2.211  -0.087
  187   2HB   ALA  29          2HB       ALA  29   2.593   2.195  -0.488
  188   3HB   ALA  29          3HB       ALA  29   2.079   2.477   1.175
  189    H    LYS  30           H        LYS  30   4.158  -0.549   1.160
  190    HA   LYS  30           HA       LYS  30   3.530  -1.142   3.890
  191   1HB   LYS  30          2HB       LYS  30   5.127  -2.399   2.313
  192   2HB   LYS  30          1HB       LYS  30   6.284  -1.123   2.657
  193   1HG   LYS  30          2HG       LYS  30   5.054  -2.433   4.992
  194   2HG   LYS  30          1HG       LYS  30   6.150  -3.417   4.021
  195   1HD   LYS  30          2HD       LYS  30   7.911  -1.797   4.293
  196   2HD   LYS  30          1HD       LYS  30   6.813  -0.696   5.130
  197   1HE   LYS  30          2HE       LYS  30   7.615  -3.438   6.095
  198   2HE   LYS  30          1HE       LYS  30   8.278  -1.914   6.684
  199   1HZ   LYS  30          1HZ       LYS  30   6.622  -2.496   8.205
  200   2HZ   LYS  30          2HZ       LYS  30   5.527  -2.955   7.000
  201   3HZ   LYS  30          3HZ       LYS  30   5.897  -1.316   7.229
  202    H    ASN  31           H        ASN  31   2.937   0.785   4.767
  203    HA   ASN  31           HA       ASN  31   3.029   2.862   5.609
  204   1HB   ASN  31          2HB       ASN  31   5.013   3.401   7.039
  205   2HB   ASN  31          1HB       ASN  31   4.229   1.875   7.405
  206   1HD2  ASN  31          1HD2      ASN  31   7.062   3.411   6.107
  207   2HD2  ASN  31          2HD2      ASN  31   8.082   2.017   6.161
  Start of MODEL   18
    1    H    GLY   1           H        GLY   1   3.495   2.749   3.328
    2   1HA   GLY   1          2HA       GLY   1   3.167   4.764   2.082
    3   2HA   GLY   1          1HA       GLY   1   4.757   5.298   2.598
    4    H    SER   2           H        SER   2   5.991   2.672   1.955
    5    HA   SER   2           HA       SER   2   6.376   3.213  -0.874
    6   1HB   SER   2          2HB       SER   2   7.796   1.269   0.959
    7   2HB   SER   2          1HB       SER   2   8.286   1.684  -0.685
    8    HG   SER   2           HG       SER   2   8.008   3.598   1.388
    9    H    ILE   3           H        ILE   3   4.874   2.346  -2.171
   10    HA   ILE   3           HA       ILE   3   3.423  -0.007  -1.655
   11    HB   ILE   3           HB       ILE   3   3.874   1.407  -4.289
   12   1HG1  ILE   3          2HG1      ILE   3   1.392   2.000  -3.857
   13   2HG1  ILE   3          1HG1      ILE   3   1.720   1.542  -2.190
   14   1HG2  ILE   3          1HG2      ILE   3   1.497  -0.267  -4.059
   15   2HG2  ILE   3          2HG2      ILE   3   3.009  -1.174  -4.018
   16   3HG2  ILE   3          3HG2      ILE   3   2.653  -0.110  -5.380
   17   1HD1  ILE   3          1HD1      ILE   3   2.611   3.519  -1.777
   18   2HD1  ILE   3          2HD1      ILE   3   2.129   4.024  -3.398
   19   3HD1  ILE   3          3HD1      ILE   3   3.737   3.349  -3.126
   20    HA   PRO   4           HA       PRO   4   6.354  -2.184  -4.966
   21   1HB   PRO   4          2HB       PRO   4   8.801  -0.549  -4.531
   22   2HB   PRO   4          1HB       PRO   4   8.174  -1.268  -6.018
   23   1HG   PRO   4          2HG       PRO   4   7.955   1.342  -5.598
   24   2HG   PRO   4          1HG       PRO   4   6.629   0.433  -6.346
   25   1HD   PRO   4          2HD       PRO   4   6.899   1.429  -3.538
   26   2HD   PRO   4          1HD       PRO   4   5.470   1.402  -4.590
   27    H    ALA   5           H        ALA   5   7.554  -0.773  -1.984
   28    HA   ALA   5           HA       ALA   5   9.425  -2.789  -1.341
   29   1HB   ALA   5          1HB       ALA   5   9.144  -1.892   1.009
   30   2HB   ALA   5          2HB       ALA   5   7.960  -0.771   0.338
   31   3HB   ALA   5          3HB       ALA   5   9.632  -0.723  -0.218
   32    H    CYS   6           H        CYS   6   5.986  -2.392  -0.613
   33    HA   CYS   6           HA       CYS   6   5.938  -4.773   1.010
   34   1HB   CYS   6          2HB       CYS   6   4.448  -2.793   1.432
   35   2HB   CYS   6          1HB       CYS   6   3.569  -3.220  -0.033
   36    H    GLY   7           H        GLY   7   4.649  -3.829  -2.181
   37   1HA   GLY   7          2HA       GLY   7   4.060  -5.120  -4.001
   38   2HA   GLY   7          1HA       GLY   7   5.037  -6.408  -3.300
   39    H    GLU   8           H        GLU   8   2.359  -4.827  -1.746
   40    HA   GLU   8           HA       GLU   8   0.906  -7.373  -1.644
   41   1HB   GLU   8          2HB       GLU   8   1.560  -6.618   0.527
   42   2HB   GLU   8          1HB       GLU   8   1.003  -4.987   0.198
   43   1HG   GLU   8          2HG       GLU   8  -0.543  -5.981   1.678
   44   2HG   GLU   8          1HG       GLU   8  -1.321  -5.883   0.100
   45    H    SER   9           H        SER   9  -1.289  -7.442  -1.989
   46    HA   SER   9           HA       SER   9  -2.429  -5.097  -3.369
   47   1HB   SER   9          2HB       SER   9  -3.251  -8.008  -3.600
   48   2HB   SER   9          1HB       SER   9  -3.899  -6.661  -4.537
   49    HG   SER   9           HG       SER   9  -1.158  -7.377  -4.540
   50    H    CYS  10           H        CYS  10  -4.074  -4.087  -2.334
   51    HA   CYS  10           HA       CYS  10  -5.005  -5.281   0.142
   52   1HB   CYS  10          2HB       CYS  10  -5.841  -3.143   0.719
   53   2HB   CYS  10          1HB       CYS  10  -4.298  -2.863  -0.069
   54    H    PHE  11           H        PHE  11  -6.222  -4.483  -3.026
   55    HA   PHE  11           HA       PHE  11  -8.132  -4.964  -4.138
   56   1HB   PHE  11          2HB       PHE  11  -7.576  -7.276  -3.446
   57   2HB   PHE  11          1HB       PHE  11  -8.515  -7.050  -1.976
   58    HD1  PHE  11           1HD      PHE  11 -10.389  -8.369  -2.077
   59    HD2  PHE  11           2HD      PHE  11  -9.201  -6.211  -5.547
   60    HE1  PHE  11           1HE      PHE  11 -12.406  -9.152  -3.249
   61    HE2  PHE  11           2HE      PHE  11 -11.217  -6.988  -6.725
   62    HZ   PHE  11           HZ       PHE  11 -12.823  -8.458  -5.576
   63    H    LYS  12           H        LYS  12  -9.549  -5.887  -1.051
   64    HA   LYS  12           HA       LYS  12 -11.656  -3.955  -1.405
   65   1HB   LYS  12          2HB       LYS  12 -12.129  -6.209  -0.518
   66   2HB   LYS  12          1HB       LYS  12 -11.121  -5.866   0.881
   67   1HG   LYS  12          2HG       LYS  12 -13.498  -5.648   1.396
   68   2HG   LYS  12          1HG       LYS  12 -12.646  -4.114   1.583
   69   1HD   LYS  12          2HD       LYS  12 -13.433  -3.452  -0.670
   70   2HD   LYS  12          1HD       LYS  12 -14.358  -4.952  -0.757
   71   1HE   LYS  12          2HE       LYS  12 -15.674  -4.283   1.166
   72   2HE   LYS  12          1HE       LYS  12 -14.709  -2.818   1.345
   73   1HZ   LYS  12          1HZ       LYS  12 -16.268  -3.432  -1.100
   74   2HZ   LYS  12          2HZ       LYS  12 -15.558  -1.961  -0.667
   75   3HZ   LYS  12          3HZ       LYS  12 -16.896  -2.537   0.191
   76    H    GLY  13           H        GLY  13  -8.808  -4.363   0.584
   77   1HA   GLY  13          2HA       GLY  13  -8.130  -1.825   1.066
   78   2HA   GLY  13          1HA       GLY  13  -9.434  -2.045   2.224
   79    H    LYS  14           H        LYS  14  -9.096  -4.496   3.196
   80    HA   LYS  14           HA       LYS  14  -6.969  -4.209   4.989
   81   1HB   LYS  14          2HB       LYS  14  -9.168  -5.450   5.322
   82   2HB   LYS  14          1HB       LYS  14  -8.439  -6.775   4.420
   83   1HG   LYS  14          2HG       LYS  14  -8.256  -7.096   6.835
   84   2HG   LYS  14          1HG       LYS  14  -6.670  -6.954   6.068
   85   1HD   LYS  14          2HD       LYS  14  -6.571  -4.603   6.701
   86   2HD   LYS  14          1HD       LYS  14  -8.156  -4.736   7.460
   87   1HE   LYS  14          2HE       LYS  14  -5.633  -6.184   8.277
   88   2HE   LYS  14          1HE       LYS  14  -6.404  -4.858   9.144
   89   1HZ   LYS  14          1HZ       LYS  14  -8.229  -6.991   8.688
   90   2HZ   LYS  14          2HZ       LYS  14  -7.765  -6.273  10.148
   91   3HZ   LYS  14          3HZ       LYS  14  -6.853  -7.544   9.504
   92    H    CYS  15           H        CYS  15  -4.910  -4.648   4.726
   93    HA   CYS  15           HA       CYS  15  -4.043  -6.370   2.538
   94   1HB   CYS  15          2HB       CYS  15  -2.353  -4.712   4.420
   95   2HB   CYS  15          1HB       CYS  15  -1.840  -5.452   2.907
   96    H    TYR  16           H        TYR  16  -2.731  -8.188   2.891
   97    HA   TYR  16           HA       TYR  16  -3.183  -9.489   5.430
   98   1HB   TYR  16          2HB       TYR  16  -1.799 -10.378   2.892
   99   2HB   TYR  16          1HB       TYR  16  -1.916 -11.384   4.329
  100    HD1  TYR  16           1HD      TYR  16  -4.453  -9.186   2.672
  101    HD2  TYR  16           2HD      TYR  16  -3.344 -13.129   3.816
  102    HE1  TYR  16           1HE      TYR  16  -6.637 -10.015   1.906
  103    HE2  TYR  16           2HE      TYR  16  -5.524 -13.970   3.053
  104    HH   TYR  16           HH       TYR  16  -7.795 -11.901   1.354
  105    H    THR  17           H        THR  17  -0.510  -8.188   3.577
  106    HA   THR  17           HA       THR  17   1.565  -8.998   5.317
  107    HB   THR  17           HB       THR  17   1.619  -6.644   3.424
  108    HG1  THR  17           1HG      THR  17   0.882  -8.556   2.346
  109   1HG2  THR  17          1HG2      THR  17   3.733  -6.495   4.137
  110   2HG2  THR  17          2HG2      THR  17   4.026  -8.055   3.366
  111   3HG2  THR  17          3HG2      THR  17   3.587  -7.983   5.073
  112    HA   PRO  18           HA       PRO  18   0.545  -6.209   8.699
  113   1HB   PRO  18          2HB       PRO  18   3.197  -7.221   9.584
  114   2HB   PRO  18          1HB       PRO  18   1.665  -7.156  10.463
  115   1HG   PRO  18          2HG       PRO  18   2.584  -9.466   9.514
  116   2HG   PRO  18          1HG       PRO  18   0.853  -9.081   9.455
  117   1HD   PRO  18          2HD       PRO  18   2.885  -9.016   7.266
  118   2HD   PRO  18          1HD       PRO  18   1.184  -9.522   7.213
  119    H    GLY  19           H        GLY  19   1.045  -4.141   9.041
  120   1HA   GLY  19          2HA       GLY  19   2.454  -2.275   9.257
  121   2HA   GLY  19          1HA       GLY  19   3.711  -3.151   8.396
  122    H    CYS  20           H        CYS  20   1.471  -3.869   6.348
  123    HA   CYS  20           HA       CYS  20   1.979  -1.474   4.768
  124   1HB   CYS  20          2HB       CYS  20   0.733  -4.095   3.956
  125   2HB   CYS  20          1HB       CYS  20   1.170  -2.785   2.868
  126    H    SER  21           H        SER  21   0.447  -0.228   3.811
  127    HA   SER  21           HA       SER  21  -2.357  -0.611   4.589
  128   1HB   SER  21          2HB       SER  21  -1.306   1.023   6.152
  129   2HB   SER  21          1HB       SER  21  -0.860   2.022   4.770
  130    HG   SER  21           HG       SER  21  -3.216   1.865   6.078
  131    H    CYS  22           H        CYS  22  -3.779  -0.127   2.957
  132    HA   CYS  22           HA       CYS  22  -2.690   0.206   0.340
  133   1HB   CYS  22          2HB       CYS  22  -4.777  -1.141   1.041
  134   2HB   CYS  22          1HB       CYS  22  -5.619   0.405   0.979
  135    H    SER  23           H        SER  23  -1.650   2.292   0.760
  136    HA   SER  23           HA       SER  23  -3.276   4.629   1.091
  137   1HB   SER  23          2HB       SER  23  -0.392   4.485   0.193
  138   2HB   SER  23          1HB       SER  23  -1.212   5.848   0.955
  139    HG   SER  23           HG       SER  23  -1.579   4.083   2.692
  140    H    LYS  24           H        LYS  24  -2.481   2.644  -1.529
  141    HA   LYS  24           HA       LYS  24  -3.540   4.627  -3.395
  142   1HB   LYS  24          2HB       LYS  24  -1.034   3.018  -3.917
  143   2HB   LYS  24          1HB       LYS  24  -1.844   4.049  -5.087
  144   1HG   LYS  24          2HG       LYS  24  -1.443   5.945  -3.422
  145   2HG   LYS  24          1HG       LYS  24  -0.320   4.843  -2.632
  146   1HD   LYS  24          2HD       LYS  24   0.851   6.302  -4.199
  147   2HD   LYS  24          1HD       LYS  24   0.936   4.618  -4.720
  148   1HE   LYS  24          2HE       LYS  24   0.478   6.141  -6.592
  149   2HE   LYS  24          1HE       LYS  24  -0.839   4.998  -6.330
  150   1HZ   LYS  24          1HZ       LYS  24  -1.343   7.291  -4.804
  151   2HZ   LYS  24          2HZ       LYS  24  -2.222   6.696  -6.121
  152   3HZ   LYS  24          3HZ       LYS  24  -0.958   7.791  -6.374
  153    H    TYR  25           H        TYR  25  -5.385   3.234  -3.029
  154    HA   TYR  25           HA       TYR  25  -5.626   0.554  -3.486
  155   1HB   TYR  25          2HB       TYR  25  -7.495   2.842  -3.959
  156   2HB   TYR  25          1HB       TYR  25  -7.970   1.213  -4.430
  157    HD1  TYR  25           1HD      TYR  25  -8.961  -0.185  -2.875
  158    HD2  TYR  25           2HD      TYR  25  -6.703   3.148  -1.500
  159    HE1  TYR  25           1HE      TYR  25  -9.682  -0.652  -0.575
  160    HE2  TYR  25           2HE      TYR  25  -7.420   2.687   0.805
  161    HH   TYR  25           HH       TYR  25  -9.876   0.340   1.526
  162    HA   PRO  26           HA       PRO  26  -6.484  -0.948  -4.116
  163   1HB   PRO  26          2HB       PRO  26  -6.442  -3.239  -5.481
  164   2HB   PRO  26          1HB       PRO  26  -7.708  -2.038  -5.756
  165   1HG   PRO  26          2HG       PRO  26  -5.384  -2.753  -7.451
  166   2HG   PRO  26          1HG       PRO  26  -6.961  -2.096  -7.921
  167   1HD   PRO  26          2HD       PRO  26  -4.500  -0.673  -7.546
  168   2HD   PRO  26          1HD       PRO  26  -6.090  -0.007  -7.970
  169    H    LEU  27           H        LEU  27  -3.595  -0.121  -4.827
  170    HA   LEU  27           HA       LEU  27  -2.228  -2.598  -4.092
  171   1HB   LEU  27          2HB       LEU  27  -1.265  -0.019  -5.278
  172   2HB   LEU  27          1HB       LEU  27  -0.150  -1.182  -4.581
  173    HG   LEU  27           HG       LEU  27  -2.095  -1.902  -6.751
  174   1HD1  LEU  27          1HD1      LEU  27  -0.464  -0.063  -7.392
  175   2HD1  LEU  27          2HD1      LEU  27  -0.434  -1.520  -8.385
  176   3HD1  LEU  27          3HD1      LEU  27   0.813  -1.258  -7.164
  177   1HD2  LEU  27          1HD2      LEU  27  -1.157  -3.723  -5.366
  178   2HD2  LEU  27          2HD2      LEU  27   0.461  -3.219  -5.856
  179   3HD2  LEU  27          3HD2      LEU  27  -0.678  -3.821  -7.061
  180    H    CYS  28           H        CYS  28  -1.173  -2.894  -2.296
  181    HA   CYS  28           HA       CYS  28  -1.577  -0.966  -0.157
  182   1HB   CYS  28          2HB       CYS  28  -1.983  -3.524  -0.036
  183   2HB   CYS  28          1HB       CYS  28  -0.236  -3.629   0.156
  184    H    ALA  29           H        ALA  29   0.056  -0.015   1.022
  185    HA   ALA  29           HA       ALA  29   2.741  -0.158  -0.190
  186   1HB   ALA  29          1HB       ALA  29   1.903   1.979  -0.643
  187   2HB   ALA  29          2HB       ALA  29   2.952   2.201   0.757
  188   3HB   ALA  29          3HB       ALA  29   1.202   2.142   0.968
  189    H    LYS  30           H        LYS  30   4.490  -0.426   1.081
  190    HA   LYS  30           HA       LYS  30   4.056  -1.152   3.869
  191   1HB   LYS  30          2HB       LYS  30   5.499  -2.614   2.567
  192   2HB   LYS  30          1HB       LYS  30   6.504  -1.255   2.084
  193   1HG   LYS  30          2HG       LYS  30   7.726  -2.364   3.742
  194   2HG   LYS  30          1HG       LYS  30   7.033  -0.958   4.550
  195   1HD   LYS  30          2HD       LYS  30   6.725  -2.762   6.038
  196   2HD   LYS  30          1HD       LYS  30   5.149  -2.495   5.290
  197   1HE   LYS  30          2HE       LYS  30   5.602  -4.323   3.715
  198   2HE   LYS  30          1HE       LYS  30   7.162  -4.596   4.489
  199   1HZ   LYS  30          1HZ       LYS  30   4.601  -4.749   5.974
  200   2HZ   LYS  30          2HZ       LYS  30   6.120  -5.317   6.453
  201   3HZ   LYS  30          3HZ       LYS  30   5.287  -6.089   5.202
  202    H    ASN  31           H        ASN  31   3.770   0.660   5.047
  203    HA   ASN  31           HA       ASN  31   4.168   2.659   6.049
  204   1HB   ASN  31          2HB       ASN  31   7.042   1.909   5.450
  205   2HB   ASN  31          1HB       ASN  31   6.552   3.209   6.530
  206   1HD2  ASN  31          1HD2      ASN  31   6.611   2.690   8.581
  207   2HD2  ASN  31          2HD2      ASN  31   6.356   1.120   9.250
  Start of MODEL   19
    1    H    GLY   1           H        GLY   1   3.132   2.878   2.913
    2   1HA   GLY   1          2HA       GLY   1   3.016   4.701   1.380
    3   2HA   GLY   1          1HA       GLY   1   4.509   5.327   2.063
    4    H    SER   2           H        SER   2   5.745   2.586   1.939
    5    HA   SER   2           HA       SER   2   6.672   2.837  -0.796
    6   1HB   SER   2          2HB       SER   2   7.575   0.955   1.392
    7   2HB   SER   2          1HB       SER   2   8.409   1.259  -0.132
    8    HG   SER   2           HG       SER   2   7.809   3.471   1.447
    9    H    ILE   3           H        ILE   3   5.319   1.975  -2.258
   10    HA   ILE   3           HA       ILE   3   3.719  -0.315  -1.828
   11    HB   ILE   3           HB       ILE   3   4.513   1.027  -4.418
   12   1HG1  ILE   3          2HG1      ILE   3   2.004   1.617  -4.348
   13   2HG1  ILE   3          1HG1      ILE   3   2.074   1.159  -2.651
   14   1HG2  ILE   3          1HG2      ILE   3   2.389  -1.078  -4.045
   15   2HG2  ILE   3          2HG2      ILE   3   3.985  -1.378  -4.734
   16   3HG2  ILE   3          3HG2      ILE   3   2.861  -0.292  -5.552
   17   1HD1  ILE   3          1HD1      ILE   3   4.206   2.959  -3.181
   18   2HD1  ILE   3          2HD1      ILE   3   2.801   3.173  -2.134
   19   3HD1  ILE   3          3HD1      ILE   3   2.713   3.635  -3.835
   20    HA   PRO   4           HA       PRO   4   7.013  -2.666  -4.639
   21   1HB   PRO   4          2HB       PRO   4   9.412  -1.060  -3.917
   22   2HB   PRO   4          1HB       PRO   4   8.987  -1.822  -5.453
   23   1HG   PRO   4          2HG       PRO   4   8.778   0.810  -5.151
   24   2HG   PRO   4          1HG       PRO   4   7.557  -0.098  -6.064
   25   1HD   PRO   4          2HD       PRO   4   7.423   0.998  -3.284
   26   2HD   PRO   4          1HD       PRO   4   6.166   0.944  -4.537
   27    H    ALA   5           H        ALA   5   7.902  -1.099  -1.614
   28    HA   ALA   5           HA       ALA   5   9.494  -3.224  -0.601
   29   1HB   ALA   5          1HB       ALA   5   9.867  -1.865   1.140
   30   2HB   ALA   5          2HB       ALA   5   8.149  -1.559   1.391
   31   3HB   ALA   5          3HB       ALA   5   9.037  -0.651   0.168
   32    H    CYS   6           H        CYS   6   6.086  -2.493  -0.564
   33    HA   CYS   6           HA       CYS   6   5.504  -4.527   1.384
   34   1HB   CYS   6          2HB       CYS   6   4.118  -2.491   1.220
   35   2HB   CYS   6          1HB       CYS   6   3.598  -2.997  -0.388
   36    H    GLY   7           H        GLY   7   4.708  -4.095  -2.077
   37   1HA   GLY   7          2HA       GLY   7   4.364  -5.658  -3.732
   38   2HA   GLY   7          1HA       GLY   7   5.230  -6.812  -2.720
   39    H    GLU   8           H        GLU   8   2.261  -5.007  -2.095
   40    HA   GLU   8           HA       GLU   8   0.711  -7.487  -2.093
   41   1HB   GLU   8          2HB       GLU   8   1.305  -7.345   0.185
   42   2HB   GLU   8          1HB       GLU   8   1.128  -5.600   0.215
   43   1HG   GLU   8          2HG       GLU   8  -0.673  -6.473   1.440
   44   2HG   GLU   8          1HG       GLU   8  -1.339  -5.953  -0.105
   45    H    SER   9           H        SER   9  -1.493  -7.219  -2.398
   46    HA   SER   9           HA       SER   9  -2.325  -4.525  -3.270
   47   1HB   SER   9          2HB       SER   9  -3.358  -7.205  -4.246
   48   2HB   SER   9          1HB       SER   9  -3.837  -5.617  -4.848
   49    HG   SER   9           HG       SER   9  -1.201  -6.665  -4.947
   50    H    CYS  10           H        CYS  10  -4.180  -3.702  -2.335
   51    HA   CYS  10           HA       CYS  10  -5.222  -5.255  -0.119
   52   1HB   CYS  10          2HB       CYS  10  -6.117  -3.257   0.727
   53   2HB   CYS  10          1HB       CYS  10  -4.593  -2.783   0.011
   54    H    PHE  11           H        PHE  11  -6.137  -4.151  -3.258
   55    HA   PHE  11           HA       PHE  11  -7.829  -4.614  -4.670
   56   1HB   PHE  11          2HB       PHE  11  -7.215  -6.928  -4.150
   57   2HB   PHE  11          1HB       PHE  11  -8.347  -6.929  -2.803
   58    HD1  PHE  11           1HD      PHE  11  -8.621  -5.770  -6.342
   59    HD2  PHE  11           2HD      PHE  11 -10.108  -8.319  -3.274
   60    HE1  PHE  11           1HE      PHE  11 -10.413  -6.528  -7.847
   61    HE2  PHE  11           2HE      PHE  11 -11.901  -9.083  -4.774
   62    HZ   PHE  11           HZ       PHE  11 -12.057  -8.187  -7.065
   63    H    LYS  12           H        LYS  12  -9.301  -5.498  -1.540
   64    HA   LYS  12           HA       LYS  12 -11.114  -3.279  -1.619
   65   1HB   LYS  12          2HB       LYS  12 -12.148  -4.743  -3.310
   66   2HB   LYS  12          1HB       LYS  12 -12.186  -6.065  -2.156
   67   1HG   LYS  12          2HG       LYS  12 -14.376  -5.022  -2.439
   68   2HG   LYS  12          1HG       LYS  12 -13.782  -4.863  -0.786
   69   1HD   LYS  12          2HD       LYS  12 -12.868  -2.570  -1.649
   70   2HD   LYS  12          1HD       LYS  12 -14.091  -2.780  -2.905
   71   1HE   LYS  12          2HE       LYS  12 -14.996  -1.493  -1.062
   72   2HE   LYS  12          1HE       LYS  12 -15.803  -3.059  -1.165
   73   1HZ   LYS  12          1HZ       LYS  12 -15.335  -3.164   1.011
   74   2HZ   LYS  12          2HZ       LYS  12 -14.128  -1.983   0.929
   75   3HZ   LYS  12          3HZ       LYS  12 -13.769  -3.586   0.516
   76    H    GLY  13           H        GLY  13  -9.189  -5.015   0.090
   77   1HA   GLY  13          2HA       GLY  13 -10.797  -4.759   2.508
   78   2HA   GLY  13          1HA       GLY  13 -10.182  -6.364   2.147
   79    H    LYS  14           H        LYS  14  -8.912  -6.419   4.009
   80    HA   LYS  14           HA       LYS  14  -6.901  -4.388   4.400
   81   1HB   LYS  14          2HB       LYS  14  -6.305  -5.763   6.408
   82   2HB   LYS  14          1HB       LYS  14  -7.962  -5.188   6.386
   83   1HG   LYS  14          2HG       LYS  14  -8.112  -7.389   7.146
   84   2HG   LYS  14          1HG       LYS  14  -8.569  -7.486   5.444
   85   1HD   LYS  14          2HD       LYS  14  -6.287  -8.195   4.888
   86   2HD   LYS  14          1HD       LYS  14  -5.857  -8.114   6.590
   87   1HE   LYS  14          2HE       LYS  14  -7.426  -9.879   7.110
   88   2HE   LYS  14          1HE       LYS  14  -7.985  -9.905   5.437
   89   1HZ   LYS  14          1HZ       LYS  14  -5.469 -10.902   6.570
   90   2HZ   LYS  14          2HZ       LYS  14  -5.470 -10.344   4.973
   91   3HZ   LYS  14          3HZ       LYS  14  -6.492 -11.615   5.424
   92    H    CYS  15           H        CYS  15  -4.672  -4.771   4.411
   93    HA   CYS  15           HA       CYS  15  -3.782  -6.600   2.383
   94   1HB   CYS  15          2HB       CYS  15  -2.061  -4.931   4.220
   95   2HB   CYS  15          1HB       CYS  15  -1.653  -5.541   2.620
   96    H    TYR  16           H        TYR  16  -2.352  -8.365   2.678
   97    HA   TYR  16           HA       TYR  16  -2.717  -9.725   5.196
   98   1HB   TYR  16          2HB       TYR  16  -1.321 -10.473   2.627
   99   2HB   TYR  16          1HB       TYR  16  -1.288 -11.503   4.053
  100    HD1  TYR  16           1HD      TYR  16  -3.947  -9.564   2.254
  101    HD2  TYR  16           2HD      TYR  16  -2.706 -13.298   3.872
  102    HE1  TYR  16           1HE      TYR  16  -6.098 -10.555   1.599
  103    HE2  TYR  16           2HE      TYR  16  -4.855 -14.300   3.218
  104    HH   TYR  16           HH       TYR  16  -6.877 -13.073   1.051
  105    H    THR  17           H        THR  17  -0.096  -8.182   3.447
  106    HA   THR  17           HA       THR  17   1.951  -8.972   5.235
  107    HB   THR  17           HB       THR  17   1.951  -6.629   3.326
  108    HG1  THR  17           1HG      THR  17   1.686  -8.387   2.048
  109   1HG2  THR  17          1HG2      THR  17   4.052  -6.243   3.969
  110   2HG2  THR  17          2HG2      THR  17   4.482  -7.935   3.713
  111   3HG2  THR  17          3HG2      THR  17   3.829  -7.416   5.267
  112    HA   PRO  18           HA       PRO  18   0.779  -6.262   8.610
  113   1HB   PRO  18          2HB       PRO  18   3.101  -6.787  10.033
  114   2HB   PRO  18          1HB       PRO  18   1.617  -7.738  10.125
  115   1HG   PRO  18          2HG       PRO  18   4.109  -8.255   8.569
  116   2HG   PRO  18          1HG       PRO  18   3.054  -9.401   9.415
  117   1HD   PRO  18          2HD       PRO  18   2.988  -9.124   6.743
  118   2HD   PRO  18          1HD       PRO  18   1.518  -9.459   7.682
  119    H    GLY  19           H        GLY  19   1.171  -4.169   8.919
  120   1HA   GLY  19          2HA       GLY  19   2.517  -2.251   9.167
  121   2HA   GLY  19          1HA       GLY  19   3.812  -3.080   8.317
  122    H    CYS  20           H        CYS  20   1.438  -3.849   6.344
  123    HA   CYS  20           HA       CYS  20   1.990  -1.542   4.655
  124   1HB   CYS  20          2HB       CYS  20   0.553  -4.117   4.065
  125   2HB   CYS  20          1HB       CYS  20   0.805  -2.828   2.903
  126    H    SER  21           H        SER  21   0.490  -0.273   3.700
  127    HA   SER  21           HA       SER  21  -2.293  -0.429   4.635
  128   1HB   SER  21          2HB       SER  21  -0.640   2.115   4.587
  129   2HB   SER  21          1HB       SER  21  -2.337   1.983   5.054
  130    HG   SER  21           HG       SER  21  -0.840   0.243   6.463
  131    H    CYS  22           H        CYS  22  -3.772   0.053   3.021
  132    HA   CYS  22           HA       CYS  22  -2.769   0.180   0.348
  133   1HB   CYS  22          2HB       CYS  22  -4.926  -0.980   1.174
  134   2HB   CYS  22          1HB       CYS  22  -5.656   0.620   1.085
  135    H    SER  23           H        SER  23  -1.550   2.196   0.748
  136    HA   SER  23           HA       SER  23  -2.772   4.686   1.156
  137   1HB   SER  23          2HB       SER  23  -0.215   4.140  -0.365
  138   2HB   SER  23          1HB       SER  23  -0.663   5.634   0.461
  139    HG   SER  23           HG       SER  23  -0.469   4.602   2.416
  140    H    LYS  24           H        LYS  24  -2.108   2.865  -1.797
  141    HA   LYS  24           HA       LYS  24  -3.721   4.847  -3.243
  142   1HB   LYS  24          2HB       LYS  24  -2.368   4.255  -5.295
  143   2HB   LYS  24          1HB       LYS  24  -1.542   5.210  -4.076
  144   1HG   LYS  24          2HG       LYS  24  -0.305   3.305  -3.325
  145   2HG   LYS  24          1HG       LYS  24  -1.254   2.227  -4.351
  146   1HD   LYS  24          2HD       LYS  24   0.937   2.706  -5.336
  147   2HD   LYS  24          1HD       LYS  24  -0.374   3.325  -6.343
  148   1HE   LYS  24          2HE       LYS  24  -0.026   5.564  -5.369
  149   2HE   LYS  24          1HE       LYS  24   1.325   4.927  -4.431
  150   1HZ   LYS  24          1HZ       LYS  24   2.320   5.870  -6.285
  151   2HZ   LYS  24          2HZ       LYS  24   1.130   5.313  -7.350
  152   3HZ   LYS  24          3HZ       LYS  24   2.250   4.229  -6.693
  153    H    TYR  25           H        TYR  25  -5.533   3.668  -2.914
  154    HA   TYR  25           HA       TYR  25  -6.041   0.998  -3.190
  155   1HB   TYR  25          2HB       TYR  25  -7.613   2.844  -2.460
  156   2HB   TYR  25          1HB       TYR  25  -7.891   3.182  -4.164
  157    HD1  TYR  25           1HD      TYR  25  -9.732   2.215  -5.154
  158    HD2  TYR  25           2HD      TYR  25  -7.960   0.289  -1.801
  159    HE1  TYR  25           1HE      TYR  25 -11.515   0.522  -5.191
  160    HE2  TYR  25           2HE      TYR  25  -9.735  -1.410  -1.832
  161    HH   TYR  25           HH       TYR  25 -11.343  -2.332  -3.858
  162    HA   PRO  26           HA       PRO  26  -6.758  -0.571  -3.719
  163   1HB   PRO  26          2HB       PRO  26  -6.955  -2.871  -5.055
  164   2HB   PRO  26          1HB       PRO  26  -8.204  -1.628  -5.191
  165   1HG   PRO  26          2HG       PRO  26  -6.169  -2.468  -7.159
  166   2HG   PRO  26          1HG       PRO  26  -7.727  -1.670  -7.423
  167   1HD   PRO  26          2HD       PRO  26  -5.093  -0.478  -7.273
  168   2HD   PRO  26          1HD       PRO  26  -6.641   0.306  -7.650
  169    H    LEU  27           H        LEU  27  -3.947   0.157  -4.706
  170    HA   LEU  27           HA       LEU  27  -2.558  -2.370  -4.215
  171   1HB   LEU  27          2HB       LEU  27  -1.689   0.281  -5.314
  172   2HB   LEU  27          1HB       LEU  27  -0.515  -0.899  -4.754
  173    HG   LEU  27           HG       LEU  27  -2.598  -1.581  -6.797
  174   1HD1  LEU  27          1HD1      LEU  27  -0.645   0.328  -7.192
  175   2HD1  LEU  27          2HD1      LEU  27  -1.465  -0.592  -8.454
  176   3HD1  LEU  27          3HD1      LEU  27   0.088  -1.146  -7.825
  177   1HD2  LEU  27          1HD2      LEU  27  -1.710  -3.606  -6.662
  178   2HD2  LEU  27          2HD2      LEU  27  -0.618  -3.040  -5.398
  179   3HD2  LEU  27          3HD2      LEU  27  -0.129  -2.952  -7.090
  180    H    CYS  28           H        CYS  28  -1.449  -2.795  -2.449
  181    HA   CYS  28           HA       CYS  28  -1.680  -0.920  -0.244
  182   1HB   CYS  28          2HB       CYS  28  -2.126  -3.480  -0.160
  183   2HB   CYS  28          1HB       CYS  28  -0.372  -3.608  -0.046
  184    H    ALA  29           H        ALA  29  -0.016  -0.008   0.836
  185    HA   ALA  29           HA       ALA  29   2.685  -0.330  -0.287
  186   1HB   ALA  29          1HB       ALA  29   1.036   2.073   0.047
  187   2HB   ALA  29          2HB       ALA  29   2.409   1.779  -1.021
  188   3HB   ALA  29          3HB       ALA  29   2.681   2.221   0.664
  189    H    LYS  30           H        LYS  30   4.293  -0.594   1.205
  190    HA   LYS  30           HA       LYS  30   3.460  -0.898   3.965
  191   1HB   LYS  30          2HB       LYS  30   5.215  -2.309   2.514
  192   2HB   LYS  30          1HB       LYS  30   6.326  -1.131   3.208
  193   1HG   LYS  30          2HG       LYS  30   5.191  -1.764   5.448
  194   2HG   LYS  30          1HG       LYS  30   4.664  -3.198   4.568
  195   1HD   LYS  30          2HD       LYS  30   7.492  -2.284   5.013
  196   2HD   LYS  30          1HD       LYS  30   6.699  -3.674   5.750
  197   1HE   LYS  30          2HE       LYS  30   7.205  -3.327   2.798
  198   2HE   LYS  30          1HE       LYS  30   8.205  -4.288   3.885
  199   1HZ   LYS  30          1HZ       LYS  30   6.465  -5.815   4.220
  200   2HZ   LYS  30          2HZ       LYS  30   6.499  -5.537   2.552
  201   3HZ   LYS  30          3HZ       LYS  30   5.310  -4.804   3.509
  202    H    ASN  31           H        ASN  31   3.099   1.048   4.832
  203    HA   ASN  31           HA       ASN  31   3.451   3.109   5.680
  204   1HB   ASN  31          2HB       ASN  31   6.338   2.200   5.583
  205   2HB   ASN  31          1HB       ASN  31   5.808   3.691   6.357
  206   1HD2  ASN  31          1HD2      ASN  31   6.764   0.717   7.038
  207   2HD2  ASN  31          2HD2      ASN  31   5.849   0.397   8.466
  Start of MODEL   20
    1    H    GLY   1           H        GLY   1   3.453   2.704   3.166
    2   1HA   GLY   1          2HA       GLY   1   3.345   4.831   2.005
    3   2HA   GLY   1          1HA       GLY   1   4.945   5.188   2.630
    4    H    SER   2           H        SER   2   6.071   2.575   1.984
    5    HA   SER   2           HA       SER   2   6.544   3.105  -0.835
    6   1HB   SER   2          2HB       SER   2   8.444   2.741   0.727
    7   2HB   SER   2          1HB       SER   2   7.890   1.085   0.969
    8    HG   SER   2           HG       SER   2   9.518   1.900  -0.871
    9    H    ILE   3           H        ILE   3   5.280   2.184  -2.292
   10    HA   ILE   3           HA       ILE   3   3.722  -0.134  -1.764
   11    HB   ILE   3           HB       ILE   3   4.221   1.318  -4.365
   12   1HG1  ILE   3          2HG1      ILE   3   1.732   1.886  -3.982
   13   2HG1  ILE   3          1HG1      ILE   3   2.007   1.374  -2.323
   14   1HG2  ILE   3          1HG2      ILE   3   3.683  -0.956  -4.904
   15   2HG2  ILE   3          2HG2      ILE   3   2.268   0.047  -5.223
   16   3HG2  ILE   3          3HG2      ILE   3   2.332  -0.953  -3.771
   17   1HD1  ILE   3          1HD1      ILE   3   2.625   3.870  -3.598
   18   2HD1  ILE   3          2HD1      ILE   3   4.072   3.155  -2.885
   19   3HD1  ILE   3          3HD1      ILE   3   2.646   3.444  -1.887
   20    HA   PRO   4           HA       PRO   4   6.785  -2.297  -4.932
   21   1HB   PRO   4          2HB       PRO   4   9.244  -0.743  -4.328
   22   2HB   PRO   4          1HB       PRO   4   8.677  -1.400  -5.867
   23   1HG   PRO   4          2HG       PRO   4   8.530   1.210  -5.372
   24   2HG   PRO   4          1HG       PRO   4   7.229   0.373  -6.241
   25   1HD   PRO   4          2HD       PRO   4   7.333   1.271  -3.389
   26   2HD   PRO   4          1HD       PRO   4   5.981   1.325  -4.538
   27    H    ALA   5           H        ALA   5   7.932  -0.885  -1.907
   28    HA   ALA   5           HA       ALA   5   9.457  -3.230  -1.192
   29   1HB   ALA   5          1HB       ALA   5  10.452  -1.455  -0.189
   30   2HB   ALA   5          2HB       ALA   5   9.350  -1.896   1.115
   31   3HB   ALA   5          3HB       ALA   5   8.936  -0.579   0.018
   32    H    CYS   6           H        CYS   6   6.221  -2.412  -1.149
   33    HA   CYS   6           HA       CYS   6   5.504  -3.804   1.264
   34   1HB   CYS   6          2HB       CYS   6   4.113  -1.967   0.620
   35   2HB   CYS   6          1HB       CYS   6   3.856  -2.651  -0.982
   36    H    GLY   7           H        GLY   7   4.675  -4.347  -2.167
   37   1HA   GLY   7          2HA       GLY   7   4.447  -6.317  -3.348
   38   2HA   GLY   7          1HA       GLY   7   5.238  -7.149  -2.014
   39    H    GLU   8           H        GLU   8   2.280  -5.208  -2.024
   40    HA   GLU   8           HA       GLU   8   0.639  -7.570  -1.551
   41   1HB   GLU   8          2HB       GLU   8   1.277  -6.960   0.682
   42   2HB   GLU   8          1HB       GLU   8   0.945  -5.264   0.374
   43   1HG   GLU   8          2HG       GLU   8  -0.810  -6.088   1.714
   44   2HG   GLU   8          1HG       GLU   8  -1.459  -5.875   0.091
   45    H    SER   9           H        SER   9  -1.514  -7.293  -2.090
   46    HA   SER   9           HA       SER   9  -2.188  -4.706  -3.347
   47   1HB   SER   9          2HB       SER   9  -3.182  -7.436  -4.197
   48   2HB   SER   9          1HB       SER   9  -3.461  -5.901  -5.022
   49    HG   SER   9           HG       SER   9  -0.834  -6.764  -4.543
   50    H    CYS  10           H        CYS  10  -4.088  -3.772  -2.768
   51    HA   CYS  10           HA       CYS  10  -5.714  -5.261  -0.829
   52   1HB   CYS  10          2HB       CYS  10  -6.465  -2.976  -0.081
   53   2HB   CYS  10          1HB       CYS  10  -4.784  -3.353   0.232
   54    H    PHE  11           H        PHE  11  -7.689  -5.822  -1.390
   55    HA   PHE  11           HA       PHE  11  -8.923  -4.448  -3.680
   56   1HB   PHE  11          2HB       PHE  11  -8.352  -6.970  -3.812
   57   2HB   PHE  11          1HB       PHE  11  -9.700  -7.197  -2.704
   58    HD1  PHE  11           1HD      PHE  11  -9.349  -4.871  -5.590
   59    HD2  PHE  11           2HD      PHE  11 -11.347  -8.248  -3.942
   60    HE1  PHE  11           1HE      PHE  11 -10.908  -4.872  -7.493
   61    HE2  PHE  11           2HE      PHE  11 -12.910  -8.256  -5.842
   62    HZ   PHE  11           HZ       PHE  11 -12.691  -6.566  -7.620
   63    H    LYS  12           H        LYS  12 -11.412  -6.098  -2.749
   64    HA   LYS  12           HA       LYS  12 -12.516  -3.958  -1.172
   65   1HB   LYS  12          2HB       LYS  12 -13.748  -5.218  -3.007
   66   2HB   LYS  12          1HB       LYS  12 -13.864  -6.563  -1.883
   67   1HG   LYS  12          2HG       LYS  12 -15.906  -5.228  -1.909
   68   2HG   LYS  12          1HG       LYS  12 -15.124  -5.185  -0.327
   69   1HD   LYS  12          2HD       LYS  12 -14.122  -3.010  -0.909
   70   2HD   LYS  12          1HD       LYS  12 -14.966  -3.051  -2.458
   71   1HE   LYS  12          2HE       LYS  12 -17.110  -3.064  -1.303
   72   2HE   LYS  12          1HE       LYS  12 -16.283  -3.072   0.255
   73   1HZ   LYS  12          1HZ       LYS  12 -15.503  -0.907  -0.072
   74   2HZ   LYS  12          2HZ       LYS  12 -17.110  -0.852  -0.597
   75   3HZ   LYS  12          3HZ       LYS  12 -15.855  -0.920  -1.727
   76    H    GLY  13           H        GLY  13 -10.679  -4.628   0.427
   77   1HA   GLY  13          2HA       GLY  13 -11.988  -5.772   2.702
   78   2HA   GLY  13          1HA       GLY  13 -10.747  -6.836   2.051
   79    H    LYS  14           H        LYS  14  -8.585  -6.292   2.264
   80    HA   LYS  14           HA       LYS  14  -7.627  -3.791   3.134
   81   1HB   LYS  14          2HB       LYS  14  -7.265  -4.031   5.417
   82   2HB   LYS  14          1HB       LYS  14  -8.855  -4.749   5.229
   83   1HG   LYS  14          2HG       LYS  14  -6.254  -6.252   5.453
   84   2HG   LYS  14          1HG       LYS  14  -7.452  -6.051   6.729
   85   1HD   LYS  14          2HD       LYS  14  -8.120  -7.329   4.095
   86   2HD   LYS  14          1HD       LYS  14  -7.450  -8.245   5.441
   87   1HE   LYS  14          2HE       LYS  14  -9.984  -6.611   5.535
   88   2HE   LYS  14          1HE       LYS  14  -9.916  -8.362   5.335
   89   1HZ   LYS  14          1HZ       LYS  14  -8.668  -8.382   7.509
   90   2HZ   LYS  14          2HZ       LYS  14 -10.308  -7.981   7.603
   91   3HZ   LYS  14          3HZ       LYS  14  -9.134  -6.767   7.704
   92    H    CYS  15           H        CYS  15  -5.354  -4.414   4.390
   93    HA   CYS  15           HA       CYS  15  -3.954  -6.072   2.424
   94   1HB   CYS  15          2HB       CYS  15  -2.766  -4.205   4.487
   95   2HB   CYS  15          1HB       CYS  15  -1.932  -4.946   3.126
   96    H    TYR  16           H        TYR  16  -2.852  -7.901   3.006
   97    HA   TYR  16           HA       TYR  16  -3.316  -8.845   5.731
   98   1HB   TYR  16          2HB       TYR  16  -2.461 -10.233   3.192
   99   2HB   TYR  16          1HB       TYR  16  -2.407 -11.027   4.761
  100    HD1  TYR  16           1HD      TYR  16  -4.861  -8.946   2.834
  101    HD2  TYR  16           2HD      TYR  16  -4.189 -12.416   5.204
  102    HE1  TYR  16           1HE      TYR  16  -7.236  -9.542   2.624
  103    HE2  TYR  16           2HE      TYR  16  -6.563 -13.022   4.995
  104    HH   TYR  16           HH       TYR  16  -8.467 -12.411   3.109
  105    H    THR  17           H        THR  17  -0.751  -8.122   3.468
  106    HA   THR  17           HA       THR  17   1.424  -9.031   4.998
  107    HB   THR  17           HB       THR  17   1.374  -6.781   2.978
  108    HG1  THR  17           1HG      THR  17   0.578  -8.759   2.120
  109   1HG2  THR  17          1HG2      THR  17   3.791  -8.149   2.822
  110   2HG2  THR  17          2HG2      THR  17   3.498  -7.977   4.553
  111   3HG2  THR  17          3HG2      THR  17   3.533  -6.549   3.519
  112    HA   PRO  18           HA       PRO  18   1.139  -6.138   8.410
  113   1HB   PRO  18          2HB       PRO  18   3.887  -7.184   8.841
  114   2HB   PRO  18          1HB       PRO  18   2.534  -7.072   9.971
  115   1HG   PRO  18          2HG       PRO  18   3.242  -9.417   8.920
  116   2HG   PRO  18          1HG       PRO  18   1.536  -9.007   9.178
  117   1HD   PRO  18          2HD       PRO  18   3.117  -9.041   6.647
  118   2HD   PRO  18          1HD       PRO  18   1.420  -9.484   6.926
  119    H    GLY  19           H        GLY  19   1.697  -4.070   8.565
  120   1HA   GLY  19          2HA       GLY  19   3.174  -2.234   8.501
  121   2HA   GLY  19          1HA       GLY  19   4.231  -3.154   7.441
  122    H    CYS  20           H        CYS  20   1.686  -3.882   5.841
  123    HA   CYS  20           HA       CYS  20   1.886  -1.507   4.166
  124   1HB   CYS  20          2HB       CYS  20   0.627  -4.185   3.646
  125   2HB   CYS  20          1HB       CYS  20   0.623  -2.848   2.509
  126    H    SER  21           H        SER  21   0.210  -0.328   3.431
  127    HA   SER  21           HA       SER  21  -2.433  -0.716   4.636
  128   1HB   SER  21          2HB       SER  21  -0.969   1.939   4.520
  129   2HB   SER  21          1HB       SER  21  -2.592   1.670   5.160
  130    HG   SER  21           HG       SER  21  -0.868  -0.012   6.338
  131    H    CYS  22           H        CYS  22  -4.137  -0.024   3.293
  132    HA   CYS  22           HA       CYS  22  -3.519   0.050   0.501
  133   1HB   CYS  22          2HB       CYS  22  -5.565  -1.019   1.613
  134   2HB   CYS  22          1HB       CYS  22  -6.222   0.610   1.716
  135    H    SER  23           H        SER  23  -2.151   2.081   1.121
  136    HA   SER  23           HA       SER  23  -3.541   4.568   1.314
  137   1HB   SER  23          2HB       SER  23  -0.649   4.088   0.561
  138   2HB   SER  23          1HB       SER  23  -1.349   5.569   1.217
  139    HG   SER  23           HG       SER  23  -1.560   4.623   3.171
  140    H    LYS  24           H        LYS  24  -2.706   2.494  -1.275
  141    HA   LYS  24           HA       LYS  24  -3.582   4.529  -3.179
  142   1HB   LYS  24          2HB       LYS  24  -1.100   2.852  -3.595
  143   2HB   LYS  24          1HB       LYS  24  -1.794   3.971  -4.759
  144   1HG   LYS  24          2HG       LYS  24  -1.446   5.760  -2.961
  145   2HG   LYS  24          1HG       LYS  24  -0.400   4.576  -2.180
  146   1HD   LYS  24          2HD       LYS  24   0.976   4.448  -4.188
  147   2HD   LYS  24          1HD       LYS  24  -0.082   5.605  -4.997
  148   1HE   LYS  24          2HE       LYS  24   1.595   6.112  -2.542
  149   2HE   LYS  24          1HE       LYS  24   1.905   6.723  -4.166
  150   1HZ   LYS  24          1HZ       LYS  24  -0.681   7.335  -2.935
  151   2HZ   LYS  24          2HZ       LYS  24   0.250   8.256  -4.007
  152   3HZ   LYS  24          3HZ       LYS  24   0.680   8.171  -2.374
  153    H    TYR  25           H        TYR  25  -5.447   3.067  -2.769
  154    HA   TYR  25           HA       TYR  25  -5.731   0.428  -3.418
  155   1HB   TYR  25          2HB       TYR  25  -7.499   1.978  -2.538
  156   2HB   TYR  25          1HB       TYR  25  -7.680   2.624  -4.163
  157    HD1  TYR  25           1HD      TYR  25  -7.777  -0.655  -2.366
  158    HD2  TYR  25           2HD      TYR  25  -9.352   1.754  -5.499
  159    HE1  TYR  25           1HE      TYR  25  -9.448  -2.391  -2.854
  160    HE2  TYR  25           2HE      TYR  25 -11.026   0.024  -5.996
  161    HH   TYR  25           HH       TYR  25 -11.138  -2.593  -5.619
  162    HA   PRO  26           HA       PRO  26  -6.443  -1.107  -4.253
  163   1HB   PRO  26          2HB       PRO  26  -6.278  -3.217  -5.874
  164   2HB   PRO  26          1HB       PRO  26  -7.610  -2.063  -6.007
  165   1HG   PRO  26          2HG       PRO  26  -5.257  -2.443  -7.768
  166   2HG   PRO  26          1HG       PRO  26  -6.874  -1.836  -8.163
  167   1HD   PRO  26          2HD       PRO  26  -4.507  -0.316  -7.629
  168   2HD   PRO  26          1HD       PRO  26  -6.138   0.294  -7.966
  169    H    LEU  27           H        LEU  27  -3.710  -0.037  -4.374
  170    HA   LEU  27           HA       LEU  27  -2.235  -2.545  -3.951
  171   1HB   LEU  27          2HB       LEU  27  -1.247   0.078  -5.045
  172   2HB   LEU  27          1HB       LEU  27  -0.179  -1.211  -4.512
  173    HG   LEU  27           HG       LEU  27  -2.290  -1.685  -6.570
  174   1HD1  LEU  27          1HD1      LEU  27  -1.188  -0.480  -8.085
  175   2HD1  LEU  27          2HD1      LEU  27   0.255  -1.454  -7.800
  176   3HD1  LEU  27          3HD1      LEU  27  -0.021   0.011  -6.858
  177   1HD2  LEU  27          1HD2      LEU  27  -0.721  -3.491  -7.234
  178   2HD2  LEU  27          2HD2      LEU  27  -1.352  -3.665  -5.596
  179   3HD2  LEU  27          3HD2      LEU  27   0.287  -3.066  -5.851
  180    H    CYS  28           H        CYS  28  -1.163  -2.820  -2.149
  181    HA   CYS  28           HA       CYS  28  -1.582  -0.900  -0.011
  182   1HB   CYS  28          2HB       CYS  28  -0.326  -3.651   0.007
  183   2HB   CYS  28          1HB       CYS  28  -0.622  -2.668   1.435
  184    H    ALA  29           H        ALA  29  -0.002   0.175   1.079
  185    HA   ALA  29           HA       ALA  29   2.669   0.153  -0.159
  186   1HB   ALA  29          1HB       ALA  29   2.597   2.474   1.239
  187   2HB   ALA  29          2HB       ALA  29   0.900   2.302   0.793
  188   3HB   ALA  29          3HB       ALA  29   2.142   2.324  -0.459
  189    H    LYS  30           H        LYS  30   4.363  -0.397   1.062
  190    HA   LYS  30           HA       LYS  30   3.958  -1.261   3.787
  191   1HB   LYS  30          2HB       LYS  30   5.401  -2.531   2.244
  192   2HB   LYS  30          1HB       LYS  30   6.462  -1.142   2.082
  193   1HG   LYS  30          2HG       LYS  30   7.575  -2.543   3.562
  194   2HG   LYS  30          1HG       LYS  30   6.809  -1.349   4.609
  195   1HD   LYS  30          2HD       LYS  30   6.554  -3.592   5.523
  196   2HD   LYS  30          1HD       LYS  30   4.987  -2.923   5.067
  197   1HE   LYS  30          2HE       LYS  30   5.208  -5.277   4.407
  198   2HE   LYS  30          1HE       LYS  30   5.000  -4.219   3.015
  199   1HZ   LYS  30          1HZ       LYS  30   6.771  -6.047   2.923
  200   2HZ   LYS  30          2HZ       LYS  30   7.697  -5.019   3.895
  201   3HZ   LYS  30          3HZ       LYS  30   7.189  -4.505   2.363
  202    H    ASN  31           H        ASN  31   3.410   0.648   4.789
  203    HA   ASN  31           HA       ASN  31   3.701   2.560   5.937
  204   1HB   ASN  31          2HB       ASN  31   5.602   1.192   6.913
  205   2HB   ASN  31          1HB       ASN  31   6.675   2.011   5.783
  206   1HD2  ASN  31          1HD2      ASN  31   7.745   3.614   6.664
  207   2HD2  ASN  31          2HD2      ASN  31   7.185   4.648   7.928