*HEADER    TOXIN                                   28-NOV-03   1RMK              
*TITLE     SOLUTION STRUCTURE OF CONOTOXIN MRVIB                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MU-O-CONOTOXIN MRVIB;                                      
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CONUS MARMOREUS;                                
*SOURCE   3 ORGANISM_COMMON: MARBLE CONE;                                        
*SOURCE   4 SECRETION: VENOM                                                     
*KEYWDS    BETA SHEET, CYSTINE KNOT                                              
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    N.L.DALY, J.A.EKBERG, L.THOMAS, D.J.ADAMS, R.J.LEWIS,                 
*AUTHOR   2 D.J.CRAIK                                                            
*REVDAT   1   07-SEP-04 1RMK    0                                                

 MRVIB.noedocumacsAorrmBINassign (resid   1 and name   HA)   (resid   2 and name   HN)   2.115    0.315    0.315  
assign (resid   1 and name  HB#)   (resid   2 and name   HN)   2.830    1.030    1.030  
assign (resid   2 and name   HA)   (resid  19 and name   HA)   2.890    1.090    1.090  
assign (resid   2 and name   HA)   (resid  19 and name  HB2)   3.650    1.850    1.850  
assign (resid   2 and name  HB2)   (resid  18 and name  HE#)   4.470    2.670    2.670  
assign (resid   2 and name  HB2)   (resid  20 and name   HA)   2.225    0.425    0.425  
assign (resid   2 and name  HB2)   (resid  21 and name  HD#)   3.590    1.790    1.790  
assign (resid   2 and name  HB1)   (resid   3 and name  HB#)   4.090    2.290    2.290  
assign (resid   2 and name  HB1)   (resid  20 and name   HA)   2.100    0.300    0.300  
assign (resid   2 and name  HB1)   (resid  21 and name  HD#)   3.435    1.635    1.635  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   2.940    1.140    1.140  
assign (resid   3 and name  HB#)   (resid   7 and name  HG#)   3.225    1.425    1.425  
assign (resid   3 and name  HB#)   (resid  19 and name   HA)   2.850    1.050    1.050  
assign (resid   4 and name   HN)   (resid   7 and name  HB#)   3.095    1.295    1.295  
assign (resid   4 and name   HN)   (resid   7 and name  HG#)   2.880    1.080    1.080  
assign (resid   4 and name   HN)   (resid  23 and name  HD#)   4.250    2.450    2.450  
assign (resid   5 and name   HN)   (resid   6 and name   HN)   2.780    0.980    0.980  
assign (resid   5 and name   HN)   (resid  23 and name  HD#)   3.525    1.725    1.725  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.650    0.850    0.850  
assign (resid   5 and name   HA)   (resid   7 and name   HN)   2.650    0.850    0.850  
assign (resid   5 and name   HA)   (resid  23 and name  HB#)   3.980    2.180    2.180  
assign (resid   5 and name   HA)   (resid  23 and name  HD#)   3.710    1.910    1.910  
assign (resid   5 and name   HA)   (resid  30 and name   HN)   3.400    1.600    1.600  
assign (resid   5 and name   HA)   (resid  31 and name   HA)   3.400    1.600    1.600  
assign (resid   5 and name  HB#)   (resid   6 and name  HD1)   3.345    1.545    1.545  
assign (resid   5 and name  HB#)   (resid   7 and name   HN)   3.920    2.120    2.120  
assign (resid   5 and name  HG2)   (resid   6 and name   HN)   3.555    1.755    1.755  
assign (resid   5 and name  HG2)   (resid   6 and name  HD1)   3.230    1.430    1.430  
assign (resid   5 and name  HG2)   (resid   6 and name  HE3)   3.650    1.850    1.850  
assign (resid   5 and name  HG2)   (resid  31 and name   HA)   2.580    0.780    0.780  
assign (resid   5 and name  HG1)   (resid   6 and name   HN)   3.555    1.755    1.755  
assign (resid   5 and name  HG1)   (resid   6 and name  HD1)   3.230    1.430    1.430  
assign (resid   5 and name  HG1)   (resid   6 and name  HE3)   3.650    1.850    1.850  
assign (resid   5 and name  HG1)   (resid  31 and name   HA)   2.580    0.780    0.780  
assign (resid   5 and name  HG#)   (resid   6 and name   HN)   3.375    1.575    1.575  
assign (resid   5 and name  HG#)   (resid   6 and name  HD1)   2.910    1.110    1.110  
assign (resid   5 and name  HG#)   (resid   7 and name   HN)   4.090    2.290    2.290  
assign (resid   5 and name  HG#)   (resid  31 and name   HA)   2.295    0.495    0.495  
assign (resid   5 and name  HD#)   (resid   6 and name  HD1)   3.730    1.930    1.930  
assign (resid   5 and name  HD#)   (resid   6 and name  HE3)   3.950    2.150    2.150  
assign (resid   5 and name  HE2)   (resid   6 and name  HE3)   3.435    1.635    1.635  
assign (resid   5 and name  HE1)   (resid   6 and name  HE3)   3.435    1.635    1.635  
assign (resid   5 and name  HE#)   (resid  31 and name   HA)   3.220    1.420    1.420  
assign (resid   6 and name   HN)   (resid   7 and name   HN)   2.285    0.485    0.485  
assign (resid   6 and name   HN)   (resid  30 and name   HN)   3.400    1.600    1.600  
assign (resid   6 and name   HA)   (resid  29 and name   HB)   2.255    0.455    0.455  
assign (resid   6 and name   HA)   (resid  29 and name  HG*)   3.765    1.965    1.965  
assign (resid   6 and name   HA)   (resid  30 and name   HN)   2.860    1.060    1.060  
assign (resid   6 and name  HB2)   (resid   7 and name   HN)   3.400    1.600    1.600  
assign (resid   6 and name  HB1)   (resid   7 and name   HN)   3.400    1.600    1.600  
assign (resid   6 and name  HD1)   (resid  29 and name  HG*)   4.945    3.145    3.145  
!assign (resid   6 and name  HD1)   (resid  31 and name   HA)   3.650    1.850    1.850  
assign (resid   6 and name  HE3)   (resid  29 and name   HB)   3.525    1.725    1.725  
assign (resid   6 and name  HE3)   (resid  29 and name HG1#)   3.295    1.495    1.495  
assign (resid   6 and name  HE3)   (resid  29 and name HG2#)   3.295    1.495    1.495  
assign (resid   6 and name  HE3)   (resid  29 and name  HG*)   2.890    1.090    1.090  
assign (resid   7 and name   HN)   (resid  29 and name   HB)   3.155    1.355    1.355  
assign (resid   7 and name   HN)   (resid  29 and name HG1#)   4.165    2.365    2.365  
assign (resid   7 and name   HN)   (resid  29 and name HG2#)   4.165    2.365    2.365  
assign (resid   7 and name   HN)   (resid  30 and name   HN)   2.550    0.750    0.750  
assign (resid   7 and name   HN)   (resid  30 and name  HB2)   2.795    0.995    0.995  
assign (resid   8 and name   HA)   (resid  29 and name   HA)   2.210    0.410    0.410  
assign (resid   8 and name   HA)   (resid  29 and name   HB)   3.215    1.415    1.415  
assign (resid   8 and name   HA)   (resid  29 and name HG1#)   4.165    2.365    2.365  
assign (resid   8 and name   HA)   (resid  29 and name HG2#)   4.165    2.365    2.365  
assign (resid   8 and name   HA)   (resid  29 and name  HG*)   3.530    1.730    1.730  
assign (resid   8 and name   HA)   (resid  30 and name   HN)   3.400    1.600    1.600  
assign (resid   8 and name  HD#)   (resid  28 and name  HB#)   5.020    3.220    3.220  
assign (resid   8 and name  HD#)   (resid  29 and name   HA)   4.720    2.920    2.920  
assign (resid   8 and name  HD#)   (resid  29 and name HG1#)   4.895    3.095    3.095  
assign (resid   8 and name  HD#)   (resid  29 and name HG2#)   4.895    3.095    3.095  
assign (resid   8 and name  HD#)   (resid  29 and name  HG*)   4.510    2.710    2.710  
assign (resid   8 and name  HE#)   (resid  11 and name  HG*)   5.775    3.975    3.975  
assign (resid   8 and name  HE#)   (resid  28 and name  HB#)   5.155    3.355    3.355  
assign (resid   8 and name  HE#)   (resid  29 and name HG1#)   5.200    3.400    3.400  
assign (resid   8 and name  HE#)   (resid  29 and name HG2#)   5.200    3.400    3.400  
assign (resid   8 and name  HE#)   (resid  29 and name  HG*)   4.870    3.070    3.070  
assign (resid  11 and name   HB)   (resid  16 and name  HB2)   2.735    0.935    0.935  
assign (resid  11 and name   HB)   (resid  16 and name  HB1)   2.735    0.935    0.935  
assign (resid  11 and name   HB)   (resid  16 and name  HB#)   2.575    0.775    0.775  
assign (resid  11 and name   HB)   (resid  16 and name  HD#)   4.290    2.490    2.490  
assign (resid  11 and name  HG*)   (resid  12 and name  HD2)   4.295    2.495    2.495  
assign (resid  11 and name  HG*)   (resid  12 and name  HD1)   4.295    2.495    2.495  
assign (resid  11 and name  HG*)   (resid  12 and name  HD#)   4.180    2.380    2.380  
assign (resid  11 and name  HG*)   (resid  16 and name  HD#)   5.445    3.645    3.645  
assign (resid  11 and name  HG*)   (resid  18 and name   HN)   4.710    2.910    2.910  
assign (resid  11 and name  HG*)   (resid  28 and name  HD#)   5.275    3.475    3.475  
assign (resid  12 and name   HA)   (resid  13 and name   HN)   2.255    0.455    0.455  
assign (resid  13 and name   HA)   (resid  15 and name   HN)   2.815    1.015    1.015  
assign (resid  17 and name   HA)   (resid  18 and name   HN)   2.225    0.425    0.425  
assign (resid  17 and name   HA)   (resid  18 and name  HD#)   4.720    2.920    2.920  
assign (resid  17 and name   HB)   (resid  18 and name   HN)   2.180    0.380    0.380  
assign (resid  17 and name   HB)   (resid  18 and name  HD#)   4.720    2.920    2.920  
assign (resid  17 and name  HG*)   (resid  18 and name   HN)   3.965    2.165    2.165  
assign (resid  17 and name  HG*)   (resid  18 and name  HD#)   5.425    3.625    3.625  
assign (resid  18 and name  HB#)   (resid  19 and name   HN)   3.065    1.265    1.265  
assign (resid  19 and name   HN)   (resid  25 and name   HN)   2.705    0.905    0.905  
assign (resid  19 and name  HB2)   (resid  23 and name   HN)   3.400    1.600    1.600  
assign (resid  19 and name  HB2)   (resid  23 and name  HB#)   2.755    0.955    0.955  
assign (resid  19 and name  HB2)   (resid  23 and name HD1#)   4.165    2.365    2.365  
assign (resid  19 and name  HB2)   (resid  23 and name HD2#)   4.165    2.365    2.365  
assign (resid  19 and name  HB2)   (resid  23 and name  HD#)   3.490    1.690    1.690  
assign (resid  19 and name  HB1)   (resid  23 and name   HN)   0 0 3.5  
assign (resid  19 and name  HB1)   (resid  23 and name  HB1)   2.615    0.815    0.815  
assign (resid  19 and name  HB1)   (resid  23 and name  HD#)   3.460    1.660    1.660  
assign (resid  20 and name   HA)   (resid  21 and name  HD2)   2.315    0.515    0.515  
assign (resid  20 and name   HA)   (resid  21 and name  HD1)   2.315    0.515    0.515  
assign (resid  20 and name  HB2)   (resid  21 and name  HD2)   3.005    1.205    1.205  
assign (resid  20 and name  HB2)   (resid  21 and name  HD1)   3.005    1.205    1.205  
assign (resid  20 and name  HB2)   (resid  23 and name HD1#)   4.615    2.815    2.815  
assign (resid  20 and name  HB2)   (resid  23 and name HD2#)   4.615    2.815    2.815  
assign (resid  20 and name  HB1)   (resid  21 and name  HD2)   3.005    1.205    1.205  
assign (resid  20 and name  HB1)   (resid  21 and name  HD1)   3.005    1.205    1.205  
assign (resid  20 and name  HB1)   (resid  23 and name HD1#)   4.615    2.815    2.815  
assign (resid  20 and name  HB1)   (resid  23 and name HD2#)   4.615    2.815    2.815  
assign (resid  20 and name  HB#)   (resid  21 and name  HB1)   4.090    2.290    2.290  
assign (resid  20 and name  HB#)   (resid  21 and name  HG#)   4.435    2.635    2.635  
assign (resid  20 and name  HB#)   (resid  21 and name  HD#)   2.350    0.550    0.550  
assign (resid  20 and name  HB#)   (resid  23 and name  HD#)   3.630    1.830    1.830  
assign  (resid  20 and name HB#)   (resid 22 and name HN)       4.0        0      1.0
assign  (resid 21 and name HA)(resid 22 and name HN) 0 0 3.5
assign (resid  21 and name  HB2)   (resid  22 and name   HN)   3.5    0 1.5  
assign (resid  21 and name  HB1)   (resid  22 and name   HN)   3   0 0.5 
assign (resid  22 and name   HN)   (resid  23 and name   HN)   2.365    0.565    0.565  
assign (resid  22 and name   HN)   (resid  24 and name HG2#)   4.165    2.365    2.365  
assign (resid  22 and name  HA1)   (resid  23 and name   HN)   2.650    0.850    0.850  
assign (resid  22 and name  HA2)   (resid  23 and name   HN)   2.650    0.850    0.850  
assign (resid  23 and name   HN)   (resid  24 and name   HN)   3.200    1.400    1.400  
assign (resid  23 and name   HA)   (resid  24 and name   HN)   2.100    0.300    0.300  
assign (resid  23 and name   HA)   (resid  31 and name  HG*)   4.215    2.415    2.415  
assign (resid  23 and name  HB#)   (resid  24 and name   HN)   2.645    0.845    0.845  
assign (resid  23 and name  HB#)   (resid  30 and name   HA)   4.090    2.290    2.290  
assign (resid  23 and name  HB#)   (resid  30 and name  HB1)   3.050    1.250    1.250  
assign (resid  23 and name HD1#)   (resid  24 and name   HN)   3.605    1.805    1.805  
assign (resid  23 and name HD1#)   (resid  30 and name  HB1)   3.715    1.915    1.915  
assign (resid  23 and name HD2#)   (resid  24 and name   HN)   3.605    1.805    1.805  
assign (resid  23 and name HD2#)   (resid  30 and name  HB1)   3.715    1.915    1.915  
assign (resid  23 and name  HD#)   (resid  24 and name   HN)   3.250    1.450    1.450  
assign (resid  23 and name  HD#)   (resid  30 and name  HB1)   3.250    1.450    1.450  
assign (resid  24 and name   HN)   (resid  31 and name   HN)   2.270    0.470    0.470  
assign (resid  24 and name   HN)   (resid  31 and name  HG*)   3.860    2.060    2.060  
assign (resid  24 and name   HA)   (resid  25 and name   HN)   2.180    0.380    0.380  
assign (resid  24 and name   HB)   (resid  25 and name   HN)   2.455    0.655    0.655  
assign (resid  24 and name HG2#)   (resid  25 and name   HN)   3.310    1.510    1.510  
assign (resid  25 and name   HN)   (resid  26 and name   HN)   3.400    1.600    1.600  
assign (resid  25 and name   HA)   (resid  26 and name   HN)   2.100    0.300    0.300  
assign (resid  25 and name   HA)   (resid  30 and name   HA)   2.250    0.450    0.450  
assign (resid  25 and name  HB2)   (resid  26 and name   HN)   3.370    1.570    1.570  
assign (resid  25 and name  HB1)   (resid  26 and name   HN)   3.370    1.570    1.570  
assign (resid  25 and name  HB#)   (resid  26 and name   HN)   3.130    1.330    1.330  
assign (resid  26 and name   HN)   (resid  29 and name   HN)   2.600    0.800    0.800  
assign (resid  26 and name   HN)   (resid  30 and name   HA)   2.650    0.850    0.850  
assign (resid  26 and name   HN)   (resid  31 and name   HN)   3.400    1.600    1.600  
assign (resid  26 and name   HN)   (resid  31 and name HG1#)   3.220    1.420    1.420  
assign (resid  26 and name   HN)   (resid  31 and name HG2#)   3.220    1.420    1.420  
assign (resid  26 and name   HN)   (resid  31 and name  HG*)   3.050    1.250    1.250  
assign (resid  26 and name  HA1)   (resid  31 and name HG1#)   3.520    1.720    1.720  
assign (resid  26 and name  HA1)   (resid  31 and name HG2#)   3.520    1.720    1.720  
assign (resid  26 and name  HA2)   (resid  31 and name HG1#)   3.520    1.720    1.720  
assign (resid  26 and name  HA2)   (resid  31 and name HG2#)   3.520    1.720    1.720  
assign (resid  27 and name  HD#)   (resid  28 and name   HN)   3.400    1.600    1.600  
assign (resid  27 and name  HD#)   (resid  29 and name   HN)   2.865    1.065    1.065  
assign (resid  27 and name   HA)   (resid  28 and name   HN)   2.150    0.350    0.350  
assign (resid  27 and name   HA)   (resid  29 and name   HN)   3.060    1.260    1.260  
assign (resid  27 and name  HG2)   (resid  29 and name   HN)   3.650    1.850    1.850  
assign (resid  27 and name  HG1)   (resid  29 and name   HN)   3.650    1.850    1.850  
assign (resid  27 and name  HG#)   (resid  29 and name   HN)   3.395    1.595    1.595  
assign (resid  28 and name   HN)   (resid  28 and name   HA)   2.115    0.315    0.315  
assign (resid  28 and name   HN)   (resid  29 and name   HN)   2.150    0.350    0.350  
assign (resid  28 and name   HA)   (resid  29 and name   HN)   2.650    0.850    0.850  
assign (resid  28 and name  HB#)   (resid  29 and name   HN)   4.0       0       1.0  
assign (resid  28 and name  HB#)   (resid  29 and name  HG*)   4.995    3.195    3.195  
assign (resid  29 and name   HN)   (resid  30 and name   HN)   3.465    1.665    1.665  
assign (resid  29 and name   HA)   (resid  30 and name   HN)   2.250    0.450    0.450  
assign (resid  29 and name   HB)   (resid  30 and name   HN)   2.400    0.600    0.600  
assign (resid  29 and name HG1#)   (resid  30 and name   HN)   3.405    1.605    1.605  
assign (resid  29 and name HG2#)   (resid  30 and name   HN)   3.405    1.605    1.605  
assign (resid  30 and name   HA)   (resid  31 and name   HN)   2.535    0.735    0.735  
assign (resid  30 and name   HA)   (resid  31 and name  HG*)   4.355    2.555    2.555  
assign (resid  24 and name    N)   (resid  31 and name    OT1)   2.400    0.600    0.600  
assign (resid  24 and name   HN)   (resid  31 and name    OT1)   1.900    0.100    0.100  
assign (resid  29 and name    O)   (resid  26 and name    N)   2.400    0.600    0.600  
assign (resid  29 and name    O)   (resid  26 and name   HN)   1.900    0.100    0.100  
assign (resid  20 and name    O)   (resid  23 and name    N)   2.400    0.600    0.600  
assign (resid  20 and name    O)   (resid  23 and name   HN)   1.900    0.100    0.100  
assign (resid   4 and name    O)   (resid   7 and name    N)   2.400    0.600    0.600  
assign (resid   4 and name    O)   (resid   7 and name   HN)   1.900    0.100    0.100  
assign (resid  12 and name    O)   (resid  15 and name    N)   2.400    0.600    0.600  
assign (resid  12 and name    O)   (resid  15 and name   HN)   1.900    0.100    0.100  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          1HT       ALA   1   2.633 -11.606  -0.105
    2   2H    ALA   1          2HT       ALA   1   1.772 -10.170   0.132
    3   3H    ALA   1          3HT       ALA   1   3.136 -10.501   1.078
    4    HA   ALA   1           HA       ALA   1   4.581 -10.288  -0.779
    5   1HB   ALA   1          1HB       ALA   1   3.827  -9.892  -2.998
    6   2HB   ALA   1          2HB       ALA   1   2.160  -9.675  -2.463
    7   3HB   ALA   1          3HB       ALA   1   2.909 -11.270  -2.391
    8    H    CYS   2           H        CYS   2   5.466  -8.263  -1.226
    9    HA   CYS   2           HA       CYS   2   4.154  -6.051   0.145
   10   1HB   CYS   2          2HB       CYS   2   6.291  -4.935  -0.020
   11   2HB   CYS   2          1HB       CYS   2   6.518  -6.552   0.619
   12    H    SER   3           H        SER   3   3.257  -4.368  -0.808
   13    HA   SER   3           HA       SER   3   2.831  -4.407  -3.636
   14   1HB   SER   3          2HB       SER   3   2.047  -2.327  -1.582
   15   2HB   SER   3          1HB       SER   3   1.413  -2.453  -3.222
   16    HG   SER   3           HG       SER   3   0.134  -4.002  -2.603
   17    H    LYS   4           H        LYS   4   3.534  -2.988  -5.175
   18    HA   LYS   4           HA       LYS   4   6.056  -1.678  -4.647
   19   1HB   LYS   4          2HB       LYS   4   4.408  -1.730  -7.186
   20   2HB   LYS   4          1HB       LYS   4   6.101  -1.265  -7.046
   21   1HG   LYS   4          2HG       LYS   4   6.798  -3.449  -6.650
   22   2HG   LYS   4          1HG       LYS   4   5.178  -3.984  -6.204
   23   1HD   LYS   4          2HD       LYS   4   4.586  -3.358  -8.658
   24   2HD   LYS   4          1HD       LYS   4   6.331  -3.478  -8.916
   25   1HE   LYS   4          2HE       LYS   4   5.202  -5.597  -9.405
   26   2HE   LYS   4          1HE       LYS   4   6.318  -5.754  -8.048
   27   1HZ   LYS   4          1HZ       LYS   4   4.253  -6.864  -7.550
   28   2HZ   LYS   4          2HZ       LYS   4   3.357  -5.461  -7.873
   29   3HZ   LYS   4          3HZ       LYS   4   4.404  -5.513  -6.544
   30    H    LYS   5           H        LYS   5   6.446   0.567  -5.009
   31    HA   LYS   5           HA       LYS   5   4.803   2.263  -3.687
   32   1HB   LYS   5          2HB       LYS   5   7.065   2.895  -4.111
   33   2HB   LYS   5          1HB       LYS   5   6.786   2.932  -5.848
   34   1HG   LYS   5          2HG       LYS   5   5.716   4.949  -5.771
   35   2HG   LYS   5          1HG       LYS   5   5.142   4.703  -4.137
   36   1HD   LYS   5          2HD       LYS   5   7.387   5.101  -3.276
   37   2HD   LYS   5          1HD       LYS   5   7.982   5.316  -4.926
   38   1HE   LYS   5          2HE       LYS   5   6.917   7.339  -5.194
   39   2HE   LYS   5          1HE       LYS   5   5.693   6.977  -3.979
   40   1HZ   LYS   5          1HZ       LYS   5   8.541   7.651  -3.465
   41   2HZ   LYS   5          2HZ       LYS   5   7.436   7.184  -2.266
   42   3HZ   LYS   5          3HZ       LYS   5   7.199   8.624  -3.130
   43    H    TRP   6           H        TRP   6   5.091   2.697  -7.195
   44    HA   TRP   6           HA       TRP   6   2.545   4.029  -7.131
   45   1HB   TRP   6          2HB       TRP   6   4.100   3.378  -9.630
   46   2HB   TRP   6          1HB       TRP   6   2.991   4.715  -9.343
   47    HD1  TRP   6           HD       TRP   6   6.582   3.600  -8.594
   48    HE1  TRP   6           1HE      TRP   6   7.978   5.660  -7.959
   49    HE3  TRP   6           3HE      TRP   6   2.834   7.053  -8.275
   50    HZ2  TRP   6           2HZ      TRP   6   7.546   8.385  -7.377
   51    HZ3  TRP   6           3HZ      TRP   6   3.405   9.362  -7.665
   52    HH2  TRP   6           HH       TRP   6   5.715  10.014  -7.218
   53    H    GLU   7           H        GLU   7   2.545   1.257  -6.390
   54    HA   GLU   7           HA       GLU   7   1.177   0.025  -8.698
   55   1HB   GLU   7          2HB       GLU   7   2.928  -1.186  -7.172
   56   2HB   GLU   7          1HB       GLU   7   1.560  -1.398  -6.089
   57   1HG   GLU   7          2HG       GLU   7   0.332  -2.563  -7.835
   58   2HG   GLU   7          1HG       GLU   7   1.667  -2.314  -8.957
   59    H    TYR   8           H        TYR   8  -0.103  -1.476  -6.098
   60    HA   TYR   8           HA       TYR   8  -2.240   0.466  -5.653
   61   1HB   TYR   8          2HB       TYR   8  -3.039  -0.853  -7.535
   62   2HB   TYR   8          1HB       TYR   8  -2.670  -2.349  -6.684
   63    HD1  TYR   8           1HD      TYR   8  -4.520  -3.471  -5.908
   64    HD2  TYR   8           2HD      TYR   8  -4.596   0.782  -5.946
   65    HE1  TYR   8           1HE      TYR   8  -6.796  -3.509  -4.977
   66    HE2  TYR   8           2HE      TYR   8  -6.870   0.756  -5.012
   67    HH   TYR   8           HH       TYR   8  -8.883  -1.453  -5.126
   68    H    CYS   9           H        CYS   9  -2.925   0.474  -3.606
   69    HA   CYS   9           HA       CYS   9  -2.982  -1.852  -1.963
   70   1HB   CYS   9          2HB       CYS   9  -0.557  -1.358  -1.849
   71   2HB   CYS   9          1HB       CYS   9  -0.928   0.258  -1.253
   72    H    ILE  10           H        ILE  10  -4.667  -1.594  -0.698
   73    HA   ILE  10           HA       ILE  10  -5.526   1.132  -0.014
   74    HB   ILE  10           HB       ILE  10  -7.161  -0.138  -1.341
   75   1HG1  ILE  10          2HG1      ILE  10  -8.053   0.226   1.529
   76   2HG1  ILE  10          1HG1      ILE  10  -7.944   1.509   0.328
   77   1HG2  ILE  10          1HG2      ILE  10  -6.552  -2.390  -0.680
   78   2HG2  ILE  10          2HG2      ILE  10  -8.272  -2.114  -0.410
   79   3HG2  ILE  10          3HG2      ILE  10  -7.152  -2.094   0.952
   80   1HD1  ILE  10          1HD1      ILE  10  -9.869   0.916  -0.666
   81   2HD1  ILE  10          2HD1      ILE  10 -10.198   0.168   0.898
   82   3HD1  ILE  10          3HD1      ILE  10  -9.584  -0.809  -0.435
   83    H    VAL  11           H        VAL  11  -5.995   1.626   2.153
   84    HA   VAL  11           HA       VAL  11  -5.138  -0.425   4.079
   85    HB   VAL  11           HB       VAL  11  -4.416   1.535   5.536
   86   1HG1  VAL  11          1HG1      VAL  11  -3.082   0.018   3.676
   87   2HG1  VAL  11          2HG1      VAL  11  -2.334   1.056   4.890
   88   3HG1  VAL  11          3HG1      VAL  11  -2.607   1.665   3.257
   89   1HG2  VAL  11          1HG2      VAL  11  -3.777   3.586   4.312
   90   2HG2  VAL  11          2HG2      VAL  11  -5.523   3.336   4.347
   91   3HG2  VAL  11          3HG2      VAL  11  -4.608   2.968   2.884
   92    HA   PRO  12           HA       PRO  12  -9.472   0.934   5.241
   93   1HB   PRO  12          2HB       PRO  12 -10.003  -1.937   5.425
   94   2HB   PRO  12          1HB       PRO  12 -10.863  -0.704   4.502
   95   1HG   PRO  12          2HG       PRO  12  -9.353  -2.606   3.321
   96   2HG   PRO  12          1HG       PRO  12  -9.532  -0.976   2.648
   97   1HD   PRO  12          2HD       PRO  12  -7.268  -2.135   4.231
   98   2HD   PRO  12          1HD       PRO  12  -7.219  -1.076   2.804
   99    H    ILE  13           H        ILE  13 -10.001   1.182   7.340
  100    HA   ILE  13           HA       ILE  13  -8.258   0.260   9.375
  101    HB   ILE  13           HB       ILE  13  -9.979   1.298  10.936
  102   1HG1  ILE  13          2HG1      ILE  13 -11.173   2.212   8.304
  103   2HG1  ILE  13          1HG1      ILE  13 -11.917   1.057   9.403
  104   1HG2  ILE  13          1HG2      ILE  13  -8.423   2.875  10.718
  105   2HG2  ILE  13          2HG2      ILE  13  -9.484   3.621   9.524
  106   3HG2  ILE  13          3HG2      ILE  13  -8.201   2.529   9.003
  107   1HD1  ILE  13          1HD1      ILE  13 -12.973   2.809  10.267
  108   2HD1  ILE  13          2HD1      ILE  13 -11.890   3.956   9.480
  109   3HD1  ILE  13          3HD1      ILE  13 -11.434   3.225  11.019
  110    H    LEU  14           H        LEU  14  -8.602  -2.015   8.702
  111    HA   LEU  14           HA       LEU  14  -9.957  -3.449  10.716
  112   1HB   LEU  14          2HB       LEU  14 -11.823  -2.727   9.034
  113   2HB   LEU  14          1HB       LEU  14 -11.120  -3.933   7.978
  114    HG   LEU  14           HG       LEU  14 -13.150  -4.641   9.319
  115   1HD1  LEU  14          1HD1      LEU  14 -10.623  -6.252   9.621
  116   2HD1  LEU  14          2HD1      LEU  14 -11.726  -6.278   8.246
  117   3HD1  LEU  14          3HD1      LEU  14 -12.263  -6.871   9.818
  118   1HD2  LEU  14          1HD2      LEU  14 -11.164  -4.728  11.582
  119   2HD2  LEU  14          2HD2      LEU  14 -12.843  -5.262  11.626
  120   3HD2  LEU  14          3HD2      LEU  14 -12.468  -3.551  11.423
  121    H    GLY  15           H        GLY  15  -8.448  -3.226   7.601
  122   1HA   GLY  15          2HA       GLY  15  -6.435  -5.105   8.151
  123   2HA   GLY  15          1HA       GLY  15  -7.683  -5.899   7.192
  124    H    PHE  16           H        PHE  16  -4.803  -4.784   6.708
  125    HA   PHE  16           HA       PHE  16  -5.448  -3.776   4.057
  126   1HB   PHE  16          2HB       PHE  16  -3.707  -1.924   4.398
  127   2HB   PHE  16          1HB       PHE  16  -5.286  -1.700   5.135
  128    HD1  PHE  16           1HD      PHE  16  -5.298  -0.823   7.233
  129    HD2  PHE  16           2HD      PHE  16  -1.993  -3.234   6.057
  130    HE1  PHE  16           1HE      PHE  16  -4.233  -0.419   9.412
  131    HE2  PHE  16           2HE      PHE  16  -0.925  -2.838   8.237
  132    HZ   PHE  16           HZ       PHE  16  -2.044  -1.429   9.918
  133    H    VAL  17           H        VAL  17  -3.480  -3.534   2.696
  134    HA   VAL  17           HA       VAL  17  -1.858  -5.911   2.951
  135    HB   VAL  17           HB       VAL  17  -1.353  -3.865   0.830
  136   1HG1  VAL  17          1HG1      VAL  17  -0.645  -6.556   1.292
  137   2HG1  VAL  17          2HG1      VAL  17  -0.249  -5.549  -0.100
  138   3HG1  VAL  17          3HG1      VAL  17  -1.710  -6.536  -0.115
  139   1HG2  VAL  17          1HG2      VAL  17  -3.444  -5.661  -0.001
  140   2HG2  VAL  17          2HG2      VAL  17  -3.384  -3.900  -0.072
  141   3HG2  VAL  17          3HG2      VAL  17  -3.961  -4.704   1.387
  142    H    TYR  18           H        TYR  18   0.560  -5.187   1.908
  143    HA   TYR  18           HA       TYR  18   1.632  -3.005   3.487
  144   1HB   TYR  18          2HB       TYR  18   3.352  -4.418   4.556
  145   2HB   TYR  18          1HB       TYR  18   1.729  -4.866   5.063
  146    HD1  TYR  18           1HD      TYR  18   4.689  -5.917   3.166
  147    HD2  TYR  18           2HD      TYR  18   0.775  -7.011   4.430
  148    HE1  TYR  18           1HE      TYR  18   5.136  -8.246   2.520
  149    HE2  TYR  18           2HE      TYR  18   1.215  -9.344   3.788
  150    HH   TYR  18           HH       TYR  18   3.743 -10.738   3.523
  151    H    CYS  19           H        CYS  19   3.329  -2.056   2.554
  152    HA   CYS  19           HA       CYS  19   4.117  -2.937  -0.084
  153   1HB   CYS  19          2HB       CYS  19   4.711  -0.548   1.609
  154   2HB   CYS  19          1HB       CYS  19   5.535  -0.794   0.075
  155    H    CYS  20           H        CYS  20   6.519  -2.666  -0.631
  156    HA   CYS  20           HA       CYS  20   7.993  -4.571   0.886
  157   1HB   CYS  20          2HB       CYS  20   9.113  -2.630  -1.138
  158   2HB   CYS  20          1HB       CYS  20   9.778  -4.187  -0.672
  159    HA   PRO  21           HA       PRO  21   9.846  -2.159   4.046
  160   1HB   PRO  21          2HB       PRO  21  12.497  -3.094   3.074
  161   2HB   PRO  21          1HB       PRO  21  11.796  -3.127   4.697
  162   1HG   PRO  21          2HG       PRO  21  11.927  -5.355   3.226
  163   2HG   PRO  21          1HG       PRO  21  10.518  -5.020   4.251
  164   1HD   PRO  21          2HD       PRO  21  10.807  -4.773   1.287
  165   2HD   PRO  21          1HD       PRO  21   9.398  -5.270   2.241
  166    H    GLY  22           H        GLY  22   9.791  -0.112   3.787
  167   1HA   GLY  22          2HA       GLY  22  11.306   1.839   3.445
  168   2HA   GLY  22          1HA       GLY  22  11.595   1.177   1.843
  169    H    LEU  23           H        LEU  23   8.775   0.389   1.479
  170    HA   LEU  23           HA       LEU  23   7.730   3.066   0.873
  171   1HB   LEU  23          2HB       LEU  23   6.965   0.392  -0.300
  172   2HB   LEU  23          1HB       LEU  23   6.407   1.962  -0.845
  173    HG   LEU  23           HG       LEU  23   9.286   1.063  -0.954
  174   1HD1  LEU  23          1HD1      LEU  23   8.596  -0.233  -2.640
  175   2HD1  LEU  23          2HD1      LEU  23   8.418   1.277  -3.533
  176   3HD1  LEU  23          3HD1      LEU  23   7.023   0.557  -2.730
  177   1HD2  LEU  23          1HD2      LEU  23   8.259   3.215  -2.682
  178   2HD2  LEU  23          2HD2      LEU  23   9.800   3.073  -1.837
  179   3HD2  LEU  23          3HD2      LEU  23   8.360   3.595  -0.964
  180    H    ILE  24           H        ILE  24   5.541   3.561   1.305
  181    HA   ILE  24           HA       ILE  24   4.155   1.663   3.083
  182    HB   ILE  24           HB       ILE  24   3.302   3.554   4.446
  183   1HG1  ILE  24          2HG1      ILE  24   3.917   5.311   2.666
  184   2HG1  ILE  24          1HG1      ILE  24   4.167   5.732   4.353
  185   1HG2  ILE  24          1HG2      ILE  24   5.833   4.014   5.351
  186   2HG2  ILE  24          2HG2      ILE  24   6.025   2.516   4.441
  187   3HG2  ILE  24          3HG2      ILE  24   4.842   2.609   5.745
  188   1HD1  ILE  24          1HD1      ILE  24   5.976   6.196   2.471
  189   2HD1  ILE  24          2HD1      ILE  24   6.464   4.558   2.905
  190   3HD1  ILE  24          3HD1      ILE  24   6.418   5.820   4.136
  191    H    CYS  25           H        CYS  25   2.036   1.403   2.738
  192    HA   CYS  25           HA       CYS  25   0.873   2.244   0.332
  193   1HB   CYS  25          2HB       CYS  25  -0.451   1.148   2.818
  194   2HB   CYS  25          1HB       CYS  25  -1.226   1.292   1.245
  195    H    GLY  26           H        GLY  26  -0.797   3.683  -0.136
  196   1HA   GLY  26          2HA       GLY  26  -1.599   5.575   1.949
  197   2HA   GLY  26          1HA       GLY  26  -0.769   6.216   0.540
  198    HA   PRO  27           HA       PRO  27  -5.033   6.706  -0.830
  199   1HB   PRO  27          2HB       PRO  27  -4.436   8.136  -3.062
  200   2HB   PRO  27          1HB       PRO  27  -4.472   8.838  -1.441
  201   1HG   PRO  27          2HG       PRO  27  -2.126   7.908  -3.050
  202   2HG   PRO  27          1HG       PRO  27  -2.300   9.377  -2.069
  203   1HD   PRO  27          2HD       PRO  27  -0.980   7.189  -1.185
  204   2HD   PRO  27          1HD       PRO  27  -1.885   8.259  -0.096
  205    H    PHE  28           H        PHE  28  -4.632   4.253  -1.208
  206    HA   PHE  28           HA       PHE  28  -5.035   2.437  -2.483
  207   1HB   PHE  28          2HB       PHE  28  -5.953   4.533  -4.466
  208   2HB   PHE  28          1HB       PHE  28  -6.006   2.811  -4.829
  209    HD1  PHE  28           1HD      PHE  28  -8.128   2.002  -4.726
  210    HD2  PHE  28           2HD      PHE  28  -6.900   4.863  -1.825
  211    HE1  PHE  28           1HE      PHE  28 -10.326   1.832  -3.634
  212    HE2  PHE  28           2HE      PHE  28  -9.094   4.696  -0.726
  213    HZ   PHE  28           HZ       PHE  28 -10.809   3.179  -1.630
  214    H    VAL  29           H        VAL  29  -2.450   3.903  -2.484
  215    HA   VAL  29           HA       VAL  29  -1.132   2.266  -4.483
  216    HB   VAL  29           HB       VAL  29   0.313   4.134  -5.304
  217   1HG1  VAL  29          1HG1      VAL  29  -2.159   5.293  -6.189
  218   2HG1  VAL  29          2HG1      VAL  29  -2.297   3.535  -6.125
  219   3HG1  VAL  29          3HG1      VAL  29  -1.010   4.286  -7.070
  220   1HG2  VAL  29          1HG2      VAL  29  -1.630   5.839  -3.748
  221   2HG2  VAL  29          2HG2      VAL  29  -0.570   6.473  -5.007
  222   3HG2  VAL  29          3HG2      VAL  29   0.121   5.740  -3.559
  223    H    CYS  30           H        CYS  30   1.387   3.482  -4.105
  224    HA   CYS  30           HA       CYS  30   1.770   3.341  -1.198
  225   1HB   CYS  30          2HB       CYS  30   2.290   1.152  -2.474
  226   2HB   CYS  30          1HB       CYS  30   3.648   2.031  -3.156
  227    H    VAL  31           H        VAL  31   3.781   4.405  -0.510
  228    HA   VAL  31           HA       VAL  31   4.994   6.127  -2.550
  229    HB   VAL  31           HB       VAL  31   4.926   8.070  -0.964
  230   1HG1  VAL  31          1HG1      VAL  31   2.442   8.541  -1.323
  231   2HG1  VAL  31          2HG1      VAL  31   2.378   6.956  -2.095
  232   3HG1  VAL  31          3HG1      VAL  31   3.422   8.216  -2.753
  233   1HG2  VAL  31          1HG2      VAL  31   4.349   6.487   1.007
  234   2HG2  VAL  31          2HG2      VAL  31   2.683   6.715   0.476
  235   3HG2  VAL  31          3HG2      VAL  31   3.651   8.105   0.966
  Start of MODEL    2
    1   1H    ALA   1          1HT       ALA   1   6.573 -11.314   0.594
    2   2H    ALA   1          2HT       ALA   1   5.026 -11.886   0.967
    3   3H    ALA   1          3HT       ALA   1   5.601 -10.469   1.692
    4    HA   ALA   1           HA       ALA   1   5.638 -10.387  -1.174
    5   1HB   ALA   1          1HB       ALA   1   3.307 -11.425   0.108
    6   2HB   ALA   1          2HB       ALA   1   3.564 -11.066  -1.599
    7   3HB   ALA   1          3HB       ALA   1   2.948  -9.815  -0.518
    8    H    CYS   2           H        CYS   2   5.354  -8.233  -1.831
    9    HA   CYS   2           HA       CYS   2   4.671  -6.221   0.150
   10   1HB   CYS   2          2HB       CYS   2   6.742  -5.002  -0.064
   11   2HB   CYS   2          1HB       CYS   2   7.084  -6.623   0.513
   12    H    SER   3           H        SER   3   3.693  -4.545  -0.757
   13    HA   SER   3           HA       SER   3   3.116  -4.627  -3.555
   14   1HB   SER   3          2HB       SER   3   2.392  -2.505  -1.522
   15   2HB   SER   3          1HB       SER   3   1.623  -2.771  -3.088
   16    HG   SER   3           HG       SER   3   0.618  -4.501  -2.329
   17    H    LYS   4           H        LYS   4   3.678  -3.186  -5.143
   18    HA   LYS   4           HA       LYS   4   6.206  -1.838  -4.798
   19   1HB   LYS   4          2HB       LYS   4   4.346  -1.816  -7.188
   20   2HB   LYS   4          1HB       LYS   4   6.052  -1.379  -7.177
   21   1HG   LYS   4          2HG       LYS   4   6.742  -3.588  -6.908
   22   2HG   LYS   4          1HG       LYS   4   5.150  -4.115  -6.359
   23   1HD   LYS   4          2HD       LYS   4   4.381  -3.388  -8.731
   24   2HD   LYS   4          1HD       LYS   4   6.096  -3.509  -9.133
   25   1HE   LYS   4          2HE       LYS   4   4.910  -5.595  -9.623
   26   2HE   LYS   4          1HE       LYS   4   6.128  -5.821  -8.367
   27   1HZ   LYS   4          1HZ       LYS   4   3.181  -5.607  -8.010
   28   2HZ   LYS   4          2HZ       LYS   4   4.278  -5.541  -6.724
   29   3HZ   LYS   4          3HZ       LYS   4   4.174  -6.940  -7.668
   30    H    LYS   5           H        LYS   5   6.540   0.428  -5.071
   31    HA   LYS   5           HA       LYS   5   4.883   2.039  -3.624
   32   1HB   LYS   5          2HB       LYS   5   7.110   2.767  -4.008
   33   2HB   LYS   5          1HB       LYS   5   6.869   2.797  -5.753
   34   1HG   LYS   5          2HG       LYS   5   5.686   4.766  -5.690
   35   2HG   LYS   5          1HG       LYS   5   5.170   4.523  -4.037
   36   1HD   LYS   5          2HD       LYS   5   7.418   5.015  -3.246
   37   2HD   LYS   5          1HD       LYS   5   7.963   5.218  -4.914
   38   1HE   LYS   5          2HE       LYS   5   6.900   7.222  -5.167
   39   2HE   LYS   5          1HE       LYS   5   5.626   6.817  -4.018
   40   1HZ   LYS   5          1HZ       LYS   5   7.320   7.036  -2.226
   41   2HZ   LYS   5          2HZ       LYS   5   6.998   8.485  -3.047
   42   3HZ   LYS   5          3HZ       LYS   5   8.413   7.626  -3.383
   43    H    TRP   6           H        TRP   6   5.121   2.427  -7.149
   44    HA   TRP   6           HA       TRP   6   2.629   3.859  -7.066
   45   1HB   TRP   6          2HB       TRP   6   4.109   3.061  -9.571
   46   2HB   TRP   6          1HB       TRP   6   3.044   4.442  -9.318
   47    HD1  TRP   6           HD       TRP   6   6.596   3.229  -8.470
   48    HE1  TRP   6           1HE      TRP   6   8.064   5.270  -7.948
   49    HE3  TRP   6           3HE      TRP   6   2.989   6.845  -8.458
   50    HZ2  TRP   6           2HZ      TRP   6   7.736   8.042  -7.560
   51    HZ3  TRP   6           3HZ      TRP   6   3.646   9.166  -7.993
   52    HH2  TRP   6           HH       TRP   6   5.973   9.750  -7.546
   53    H    GLU   7           H        GLU   7   2.638   1.057  -6.281
   54    HA   GLU   7           HA       GLU   7   1.002  -0.130  -8.428
   55   1HB   GLU   7          2HB       GLU   7   2.877  -1.418  -7.169
   56   2HB   GLU   7          1HB       GLU   7   1.709  -1.525  -5.860
   57   1HG   GLU   7          2HG       GLU   7   0.164  -2.717  -7.264
   58   2HG   GLU   7          1HG       GLU   7   1.213  -2.499  -8.663
   59    H    TYR   8           H        TYR   8  -1.148  -0.579  -8.134
   60    HA   TYR   8           HA       TYR   8  -2.593   1.097  -6.408
   61   1HB   TYR   8          2HB       TYR   8  -3.576   0.345  -8.482
   62   2HB   TYR   8          1HB       TYR   8  -3.448  -1.339  -7.988
   63    HD1  TYR   8           1HD      TYR   8  -4.959   1.835  -6.686
   64    HD2  TYR   8           2HD      TYR   8  -5.398  -2.350  -7.310
   65    HE1  TYR   8           1HE      TYR   8  -7.224   1.936  -5.738
   66    HE2  TYR   8           2HE      TYR   8  -7.666  -2.259  -6.364
   67    HH   TYR   8           HH       TYR   8  -8.807   0.254  -4.569
   68    H    CYS   9           H        CYS   9  -2.750   0.925  -4.294
   69    HA   CYS   9           HA       CYS   9  -2.643  -1.723  -3.046
   70   1HB   CYS   9          2HB       CYS   9  -1.166   0.179  -2.212
   71   2HB   CYS   9          1HB       CYS   9  -2.637   0.960  -1.643
   72    H    ILE  10           H        ILE  10  -4.467  -2.667  -2.442
   73    HA   ILE  10           HA       ILE  10  -6.987  -1.607  -2.978
   74    HB   ILE  10           HB       ILE  10  -6.234  -3.912  -1.172
   75   1HG1  ILE  10          2HG1      ILE  10  -7.249  -5.185  -3.191
   76   2HG1  ILE  10          1HG1      ILE  10  -7.006  -3.684  -4.073
   77   1HG2  ILE  10          1HG2      ILE  10  -8.811  -4.360  -2.053
   78   2HG2  ILE  10          2HG2      ILE  10  -8.806  -2.647  -1.632
   79   3HG2  ILE  10          3HG2      ILE  10  -8.334  -3.853  -0.434
   80   1HD1  ILE  10          1HD1      ILE  10  -4.892  -4.209  -4.430
   81   2HD1  ILE  10          2HD1      ILE  10  -5.165  -5.753  -3.623
   82   3HD1  ILE  10          3HD1      ILE  10  -4.601  -4.363  -2.697
   83    H    VAL  11           H        VAL  11  -5.261  -1.869   0.113
   84    HA   VAL  11           HA       VAL  11  -7.423  -0.490   1.465
   85    HB   VAL  11           HB       VAL  11  -6.335  -2.363   2.608
   86   1HG1  VAL  11          1HG1      VAL  11  -3.906  -0.843   1.981
   87   2HG1  VAL  11          2HG1      VAL  11  -4.136  -2.574   2.222
   88   3HG1  VAL  11          3HG1      VAL  11  -3.969  -1.505   3.614
   89   1HG2  VAL  11          1HG2      VAL  11  -6.077   0.358   3.855
   90   2HG2  VAL  11          2HG2      VAL  11  -5.776  -1.128   4.757
   91   3HG2  VAL  11          3HG2      VAL  11  -7.367  -0.828   4.057
   92    HA   PRO  12           HA       PRO  12  -5.362   3.421   0.929
   93   1HB   PRO  12          2HB       PRO  12  -7.292   4.964   1.926
   94   2HB   PRO  12          1HB       PRO  12  -7.511   4.110   0.394
   95   1HG   PRO  12          2HG       PRO  12  -8.576   3.450   3.102
   96   2HG   PRO  12          1HG       PRO  12  -9.355   3.290   1.519
   97   1HD   PRO  12          2HD       PRO  12  -8.127   1.229   2.934
   98   2HD   PRO  12          1HD       PRO  12  -8.501   1.207   1.201
   99    H    ILE  13           H        ILE  13  -6.112   5.450   2.794
  100    HA   ILE  13           HA       ILE  13  -4.079   5.199   4.727
  101    HB   ILE  13           HB       ILE  13  -6.395   7.141   4.808
  102   1HG1  ILE  13          2HG1      ILE  13  -3.712   7.445   3.436
  103   2HG1  ILE  13          1HG1      ILE  13  -5.238   7.153   2.607
  104   1HG2  ILE  13          1HG2      ILE  13  -5.390   8.036   6.578
  105   2HG2  ILE  13          2HG2      ILE  13  -3.878   8.190   5.685
  106   3HG2  ILE  13          3HG2      ILE  13  -4.237   6.701   6.561
  107   1HD1  ILE  13          1HD1      ILE  13  -5.742   9.377   4.169
  108   2HD1  ILE  13          2HD1      ILE  13  -5.415   9.355   2.437
  109   3HD1  ILE  13          3HD1      ILE  13  -4.098   9.623   3.579
  110    H    LEU  14           H        LEU  14  -4.585   3.222   5.661
  111    HA   LEU  14           HA       LEU  14  -5.912   3.339   8.152
  112   1HB   LEU  14          2HB       LEU  14  -7.806   3.024   6.397
  113   2HB   LEU  14          1HB       LEU  14  -7.158   1.412   6.190
  114    HG   LEU  14           HG       LEU  14  -9.158   1.618   7.716
  115   1HD1  LEU  14          1HD1      LEU  14  -6.593   0.345   8.585
  116   2HD1  LEU  14          2HD1      LEU  14  -8.035  -0.405   7.897
  117   3HD1  LEU  14          3HD1      LEU  14  -8.060   0.197   9.554
  118   1HD2  LEU  14          1HD2      LEU  14  -8.890   3.493   9.006
  119   2HD2  LEU  14          2HD2      LEU  14  -7.168   3.209   9.260
  120   3HD2  LEU  14          3HD2      LEU  14  -8.360   2.239  10.126
  121    H    GLY  15           H        GLY  15  -4.653   1.462   5.454
  122   1HA   GLY  15          2HA       GLY  15  -2.822   0.023   5.488
  123   2HA   GLY  15          1HA       GLY  15  -2.780   0.152   7.238
  124    H    PHE  16           H        PHE  16  -2.561  -2.154   5.450
  125    HA   PHE  16           HA       PHE  16  -3.991  -4.052   6.949
  126   1HB   PHE  16          2HB       PHE  16  -5.923  -3.269   5.614
  127   2HB   PHE  16          1HB       PHE  16  -5.035  -3.611   4.134
  128    HD1  PHE  16           1HD      PHE  16  -5.979  -5.390   3.048
  129    HD2  PHE  16           2HD      PHE  16  -5.585  -5.545   7.283
  130    HE1  PHE  16           1HE      PHE  16  -6.871  -7.682   3.043
  131    HE2  PHE  16           2HE      PHE  16  -6.474  -7.839   7.285
  132    HZ   PHE  16           HZ       PHE  16  -7.117  -8.911   5.163
  133    H    VAL  17           H        VAL  17  -2.731  -3.399   3.705
  134    HA   VAL  17           HA       VAL  17  -1.294  -5.944   3.691
  135    HB   VAL  17           HB       VAL  17  -1.013  -3.931   1.495
  136   1HG1  VAL  17          1HG1      VAL  17  -1.545  -6.625   0.669
  137   2HG1  VAL  17          2HG1      VAL  17  -0.272  -6.604   1.890
  138   3HG1  VAL  17          3HG1      VAL  17  -0.101  -5.643   0.421
  139   1HG2  VAL  17          1HG2      VAL  17  -3.546  -4.635   2.373
  140   2HG2  VAL  17          2HG2      VAL  17  -3.245  -5.718   1.013
  141   3HG2  VAL  17          3HG2      VAL  17  -3.130  -3.972   0.792
  142    H    TYR  18           H        TYR  18   1.018  -5.310   2.386
  143    HA   TYR  18           HA       TYR  18   2.261  -3.079   3.760
  144   1HB   TYR  18          2HB       TYR  18   2.490  -4.878   5.398
  145   2HB   TYR  18          1HB       TYR  18   3.206  -5.925   4.177
  146    HD1  TYR  18           1HD      TYR  18   3.856  -2.362   5.134
  147    HD2  TYR  18           2HD      TYR  18   5.422  -6.296   4.713
  148    HE1  TYR  18           1HE      TYR  18   6.092  -1.528   5.724
  149    HE2  TYR  18           2HE      TYR  18   7.663  -5.473   5.303
  150    HH   TYR  18           HH       TYR  18   8.365  -2.976   6.834
  151    H    CYS  19           H        CYS  19   3.603  -2.096   2.475
  152    HA   CYS  19           HA       CYS  19   4.306  -3.160  -0.098
  153   1HB   CYS  19          2HB       CYS  19   4.948  -0.653   1.405
  154   2HB   CYS  19          1HB       CYS  19   5.645  -0.963  -0.176
  155    H    CYS  20           H        CYS  20   6.754  -2.666  -0.732
  156    HA   CYS  20           HA       CYS  20   8.327  -4.511   0.764
  157   1HB   CYS  20          2HB       CYS  20   9.341  -2.490  -1.233
  158   2HB   CYS  20          1HB       CYS  20  10.090  -4.014  -0.783
  159    HA   PRO  21           HA       PRO  21   9.979  -2.073   3.996
  160   1HB   PRO  21          2HB       PRO  21  12.695  -2.794   3.014
  161   2HB   PRO  21          1HB       PRO  21  12.000  -2.895   4.637
  162   1HG   PRO  21          2HG       PRO  21  12.271  -5.092   3.145
  163   2HG   PRO  21          1HG       PRO  21  10.837  -4.856   4.162
  164   1HD   PRO  21          2HD       PRO  21  11.133  -4.561   1.204
  165   2HD   PRO  21          1HD       PRO  21   9.747  -5.148   2.140
  166    H    GLY  22           H        GLY  22   9.728  -0.046   3.765
  167   1HA   GLY  22          2HA       GLY  22  11.069   2.043   3.534
  168   2HA   GLY  22          1HA       GLY  22  11.474   1.459   1.926
  169    H    LEU  23           H        LEU  23   8.711   0.428   1.489
  170    HA   LEU  23           HA       LEU  23   7.490   3.023   0.862
  171   1HB   LEU  23          2HB       LEU  23   6.892   0.312  -0.320
  172   2HB   LEU  23          1HB       LEU  23   6.329   1.864  -0.910
  173    HG   LEU  23           HG       LEU  23   9.231   1.034  -0.862
  174   1HD1  LEU  23          1HD1      LEU  23   7.071   0.502  -2.786
  175   2HD1  LEU  23          2HD1      LEU  23   8.590  -0.351  -2.513
  176   3HD1  LEU  23          3HD1      LEU  23   8.570   1.128  -3.473
  177   1HD2  LEU  23          1HD2      LEU  23   8.503   3.513  -0.856
  178   2HD2  LEU  23          2HD2      LEU  23   8.011   3.206  -2.521
  179   3HD2  LEU  23          3HD2      LEU  23   9.692   2.977  -2.043
  180    H    ILE  24           H        ILE  24   5.271   3.373   1.256
  181    HA   ILE  24           HA       ILE  24   3.897   1.361   2.909
  182    HB   ILE  24           HB       ILE  24   3.038   3.232   4.378
  183   1HG1  ILE  24          2HG1      ILE  24   5.413   4.711   3.221
  184   2HG1  ILE  24          1HG1      ILE  24   3.727   5.095   2.894
  185   1HG2  ILE  24          1HG2      ILE  24   5.656   1.945   4.415
  186   2HG2  ILE  24          2HG2      ILE  24   4.434   2.076   5.681
  187   3HG2  ILE  24          3HG2      ILE  24   5.566   3.400   5.408
  188   1HD1  ILE  24          1HD1      ILE  24   5.243   6.262   4.808
  189   2HD1  ILE  24          2HD1      ILE  24   4.423   5.006   5.736
  190   3HD1  ILE  24          3HD1      ILE  24   3.481   6.189   4.827
  191    H    CYS  25           H        CYS  25   1.758   1.154   2.511
  192    HA   CYS  25           HA       CYS  25   0.619   2.294   0.205
  193   1HB   CYS  25          2HB       CYS  25  -0.553   0.753   2.507
  194   2HB   CYS  25          1HB       CYS  25  -1.578   1.391   1.228
  195    H    GLY  26           H        GLY  26  -0.960   3.847  -0.105
  196   1HA   GLY  26          2HA       GLY  26  -1.851   5.436   2.175
  197   2HA   GLY  26          1HA       GLY  26  -0.868   6.259   0.973
  198    HA   PRO  27           HA       PRO  27  -4.802   7.181  -0.908
  199   1HB   PRO  27          2HB       PRO  27  -3.865   8.457  -3.105
  200   2HB   PRO  27          1HB       PRO  27  -3.861   9.189  -1.497
  201   1HG   PRO  27          2HG       PRO  27  -1.626   7.861  -2.980
  202   2HG   PRO  27          1HG       PRO  27  -1.603   9.352  -2.021
  203   1HD   PRO  27          2HD       PRO  27  -0.715   6.968  -1.069
  204   2HD   PRO  27          1HD       PRO  27  -1.428   8.217  -0.030
  205    H    PHE  28           H        PHE  28  -4.615   4.651  -1.199
  206    HA   PHE  28           HA       PHE  28  -5.153   2.854  -2.449
  207   1HB   PHE  28          2HB       PHE  28  -5.882   4.981  -4.482
  208   2HB   PHE  28          1HB       PHE  28  -6.117   3.261  -4.779
  209    HD1  PHE  28           1HD      PHE  28  -6.853   5.736  -2.067
  210    HD2  PHE  28           2HD      PHE  28  -8.207   2.448  -4.404
  211    HE1  PHE  28           1HE      PHE  28  -9.032   5.828  -0.927
  212    HE2  PHE  28           2HE      PHE  28 -10.387   2.535  -3.269
  213    HZ   PHE  28           HZ       PHE  28 -10.803   4.228  -1.529
  214    H    VAL  29           H        VAL  29  -2.455   4.127  -2.501
  215    HA   VAL  29           HA       VAL  29  -1.277   2.310  -4.424
  216    HB   VAL  29           HB       VAL  29   0.321   4.038  -5.316
  217   1HG1  VAL  29          1HG1      VAL  29  -2.360   3.582  -6.125
  218   2HG1  VAL  29          2HG1      VAL  29  -0.967   4.025  -7.112
  219   3HG1  VAL  29          3HG1      VAL  29  -1.985   5.282  -6.409
  220   1HG2  VAL  29          1HG2      VAL  29  -1.596   6.191  -4.529
  221   2HG2  VAL  29          2HG2      VAL  29   0.118   6.295  -4.928
  222   3HG2  VAL  29          3HG2      VAL  29  -0.385   5.650  -3.366
  223    H    CYS  30           H        CYS  30   1.332   3.236  -4.112
  224    HA   CYS  30           HA       CYS  30   1.667   3.205  -1.189
  225   1HB   CYS  30          2HB       CYS  30   2.178   1.007  -2.421
  226   2HB   CYS  30          1HB       CYS  30   3.540   1.859  -3.136
  227    H    VAL  31           H        VAL  31   3.673   4.263  -0.462
  228    HA   VAL  31           HA       VAL  31   4.912   5.987  -2.485
  229    HB   VAL  31           HB       VAL  31   4.823   7.931  -0.912
  230   1HG1  VAL  31          1HG1      VAL  31   1.972   7.454  -1.286
  231   2HG1  VAL  31          2HG1      VAL  31   2.937   7.096  -2.719
  232   3HG1  VAL  31          3HG1      VAL  31   3.016   8.695  -1.979
  233   1HG2  VAL  31          1HG2      VAL  31   3.799   7.902   1.097
  234   2HG2  VAL  31          2HG2      VAL  31   4.096   6.167   0.993
  235   3HG2  VAL  31          3HG2      VAL  31   2.518   6.819   0.550
  Start of MODEL    3
    1   1H    ALA   1          1HT       ALA   1   5.325 -10.157   1.504
    2   2H    ALA   1          2HT       ALA   1   6.338 -11.320   0.808
    3   3H    ALA   1          3HT       ALA   1   4.668 -11.577   0.858
    4    HA   ALA   1           HA       ALA   1   6.182 -10.334  -1.138
    5   1HB   ALA   1          1HB       ALA   1   4.009 -10.291  -2.308
    6   2HB   ALA   1          2HB       ALA   1   3.210 -10.737  -0.801
    7   3HB   ALA   1          3HB       ALA   1   4.342 -11.853  -1.562
    8    H    CYS   2           H        CYS   2   6.227  -8.254  -1.923
    9    HA   CYS   2           HA       CYS   2   4.742  -6.228  -0.371
   10   1HB   CYS   2          2HB       CYS   2   6.642  -4.778  -0.424
   11   2HB   CYS   2          1HB       CYS   2   7.130  -6.319   0.262
   12    H    SER   3           H        SER   3   3.675  -4.764  -1.501
   13    HA   SER   3           HA       SER   3   3.442  -5.094  -4.337
   14   1HB   SER   3          2HB       SER   3   2.137  -3.086  -2.485
   15   2HB   SER   3          1HB       SER   3   1.656  -3.421  -4.150
   16    HG   SER   3           HG       SER   3   0.875  -5.345  -3.567
   17    H    LYS   4           H        LYS   4   3.770  -3.535  -5.923
   18    HA   LYS   4           HA       LYS   4   6.143  -2.009  -5.689
   19   1HB   LYS   4          2HB       LYS   4   5.531  -2.940  -7.814
   20   2HB   LYS   4          1HB       LYS   4   3.980  -2.118  -7.795
   21   1HG   LYS   4          2HG       LYS   4   5.057   0.016  -8.092
   22   2HG   LYS   4          1HG       LYS   4   6.647  -0.735  -7.969
   23   1HD   LYS   4          2HD       LYS   4   6.024  -0.260 -10.301
   24   2HD   LYS   4          1HD       LYS   4   6.252  -1.983 -10.013
   25   1HE   LYS   4          2HE       LYS   4   3.507  -0.861  -9.748
   26   2HE   LYS   4          1HE       LYS   4   4.176  -1.047 -11.369
   27   1HZ   LYS   4          1HZ       LYS   4   3.259  -3.086 -11.125
   28   2HZ   LYS   4          2HZ       LYS   4   3.372  -3.095  -9.436
   29   3HZ   LYS   4          3HZ       LYS   4   4.737  -3.430 -10.383
   30    H    LYS   5           H        LYS   5   6.446   0.232  -5.587
   31    HA   LYS   5           HA       LYS   5   4.847   1.663  -3.894
   32   1HB   LYS   5          2HB       LYS   5   7.051   2.444  -4.224
   33   2HB   LYS   5          1HB       LYS   5   6.808   2.629  -5.957
   34   1HG   LYS   5          2HG       LYS   5   5.621   4.594  -5.717
   35   2HG   LYS   5          1HG       LYS   5   5.144   4.223  -4.075
   36   1HD   LYS   5          2HD       LYS   5   7.361   4.689  -3.268
   37   2HD   LYS   5          1HD       LYS   5   7.954   4.889  -4.919
   38   1HE   LYS   5          2HE       LYS   5   6.913   6.920  -5.196
   39   2HE   LYS   5          1HE       LYS   5   5.678   6.576  -3.987
   40   1HZ   LYS   5          1HZ       LYS   5   8.539   7.095  -3.372
   41   2HZ   LYS   5          2HZ       LYS   5   7.291   6.883  -2.245
   42   3HZ   LYS   5          3HZ       LYS   5   7.306   8.246  -3.252
   43    H    TRP   6           H        TRP   6   4.991   2.453  -7.356
   44    HA   TRP   6           HA       TRP   6   2.537   3.916  -7.081
   45   1HB   TRP   6          2HB       TRP   6   3.951   3.297  -9.675
   46   2HB   TRP   6          1HB       TRP   6   2.892   4.655  -9.308
   47    HD1  TRP   6           HD       TRP   6   6.459   3.388  -8.620
   48    HE1  TRP   6           1HE      TRP   6   7.934   5.390  -7.978
   49    HE3  TRP   6           3HE      TRP   6   2.847   6.981  -8.275
   50    HZ2  TRP   6           2HZ      TRP   6   7.609   8.127  -7.383
   51    HZ3  TRP   6           3HZ      TRP   6   3.508   9.266  -7.655
   52    HH2  TRP   6           HH       TRP   6   5.842   9.824  -7.212
   53    H    GLU   7           H        GLU   7   2.441   1.127  -6.488
   54    HA   GLU   7           HA       GLU   7   0.713   0.127  -8.666
   55   1HB   GLU   7          2HB       GLU   7   2.554  -1.346  -7.959
   56   2HB   GLU   7          1HB       GLU   7   1.939  -1.324  -6.316
   57   1HG   GLU   7          2HG       GLU   7   0.005  -2.556  -6.943
   58   2HG   GLU   7          1HG       GLU   7   0.395  -2.398  -8.658
   59    H    TYR   8           H        TYR   8  -1.418  -0.258  -8.300
   60    HA   TYR   8           HA       TYR   8  -2.727   1.163  -6.254
   61   1HB   TYR   8          2HB       TYR   8  -3.630   0.468  -8.547
   62   2HB   TYR   8          1HB       TYR   8  -3.899  -1.125  -7.855
   63    HD1  TYR   8           1HD      TYR   8  -5.986  -1.590  -6.997
   64    HD2  TYR   8           2HD      TYR   8  -4.699   2.460  -7.152
   65    HE1  TYR   8           1HE      TYR   8  -8.197  -0.864  -6.206
   66    HE2  TYR   8           2HE      TYR   8  -6.904   3.197  -6.353
   67    HH   TYR   8           HH       TYR   8  -8.970   2.579  -5.817
   68    H    CYS   9           H        CYS   9  -2.882   0.639  -4.181
   69    HA   CYS   9           HA       CYS   9  -2.156  -1.955  -3.222
   70   1HB   CYS   9          2HB       CYS   9  -3.239   0.464  -1.773
   71   2HB   CYS   9          1HB       CYS   9  -2.681  -1.003  -0.976
   72    H    ILE  10           H        ILE  10  -4.119  -2.655  -4.761
   73    HA   ILE  10           HA       ILE  10  -6.668  -2.682  -3.396
   74    HB   ILE  10           HB       ILE  10  -6.646  -2.569  -5.822
   75   1HG1  ILE  10          2HG1      ILE  10  -7.723  -5.241  -4.898
   76   2HG1  ILE  10          1HG1      ILE  10  -8.541  -3.693  -4.705
   77   1HG2  ILE  10          1HG2      ILE  10  -5.948  -4.545  -7.173
   78   2HG2  ILE  10          2HG2      ILE  10  -5.211  -5.210  -5.715
   79   3HG2  ILE  10          3HG2      ILE  10  -4.624  -3.687  -6.382
   80   1HD1  ILE  10          1HD1      ILE  10  -8.922  -5.422  -6.763
   81   2HD1  ILE  10          2HD1      ILE  10  -7.756  -4.293  -7.455
   82   3HD1  ILE  10          3HD1      ILE  10  -9.285  -3.696  -6.809
   83    H    VAL  11           H        VAL  11  -5.310  -3.581  -1.527
   84    HA   VAL  11           HA       VAL  11  -4.478  -6.264  -1.519
   85    HB   VAL  11           HB       VAL  11  -4.501  -6.082   0.950
   86   1HG1  VAL  11          1HG1      VAL  11  -3.143  -4.230  -0.877
   87   2HG1  VAL  11          2HG1      VAL  11  -2.478  -5.306   0.352
   88   3HG1  VAL  11          3HG1      VAL  11  -3.133  -3.736   0.816
   89   1HG2  VAL  11          1HG2      VAL  11  -5.883  -4.676   1.979
   90   2HG2  VAL  11          2HG2      VAL  11  -6.392  -4.008   0.427
   91   3HG2  VAL  11          3HG2      VAL  11  -5.009  -3.317   1.273
   92    HA   PRO  12           HA       PRO  12  -8.384  -8.360  -1.508
   93   1HB   PRO  12          2HB       PRO  12  -6.817 -10.649  -0.506
   94   2HB   PRO  12          1HB       PRO  12  -7.761 -10.499  -1.992
   95   1HG   PRO  12          2HG       PRO  12  -5.079 -10.539  -2.032
   96   2HG   PRO  12          1HG       PRO  12  -6.014  -9.543  -3.162
   97   1HD   PRO  12          2HD       PRO  12  -4.571  -8.733  -0.666
   98   2HD   PRO  12          1HD       PRO  12  -4.665  -7.901  -2.233
   99    H    ILE  13           H        ILE  13  -9.916  -8.646   0.005
  100    HA   ILE  13           HA       ILE  13  -9.553  -7.903   2.651
  101    HB   ILE  13           HB       ILE  13 -11.789  -8.941   3.085
  102   1HG1  ILE  13          2HG1      ILE  13 -11.638  -9.666   0.148
  103   2HG1  ILE  13          1HG1      ILE  13 -11.572 -10.817   1.478
  104   1HG2  ILE  13          1HG2      ILE  13 -12.815  -7.516   1.033
  105   2HG2  ILE  13          2HG2      ILE  13 -11.162  -6.904   1.058
  106   3HG2  ILE  13          3HG2      ILE  13 -12.162  -6.799   2.506
  107   1HD1  ILE  13          1HD1      ILE  13 -13.768 -11.006   1.172
  108   2HD1  ILE  13          2HD1      ILE  13 -13.858  -9.512   0.238
  109   3HD1  ILE  13          3HD1      ILE  13 -13.882  -9.453   2.001
  110    H    LEU  14           H        LEU  14  -9.413 -11.109   1.206
  111    HA   LEU  14           HA       LEU  14  -8.927 -12.273   3.850
  112   1HB   LEU  14          2HB       LEU  14  -9.344 -14.424   2.872
  113   2HB   LEU  14          1HB       LEU  14 -10.647 -13.342   2.432
  114    HG   LEU  14           HG       LEU  14  -8.357 -13.930   0.559
  115   1HD1  LEU  14          1HD1      LEU  14 -10.816 -15.511   1.147
  116   2HD1  LEU  14          2HD1      LEU  14  -9.182 -16.062   0.780
  117   3HD1  LEU  14          3HD1      LEU  14 -10.210 -15.434  -0.508
  118   1HD2  LEU  14          1HD2      LEU  14  -9.375 -12.312  -0.599
  119   2HD2  LEU  14          2HD2      LEU  14 -10.785 -12.328   0.459
  120   3HD2  LEU  14          3HD2      LEU  14 -10.670 -13.475  -0.876
  121    H    GLY  15           H        GLY  15  -6.947 -10.627   2.410
  122   1HA   GLY  15          2HA       GLY  15  -4.644 -12.102   2.964
  123   2HA   GLY  15          1HA       GLY  15  -4.970 -12.291   1.248
  124    H    PHE  16           H        PHE  16  -5.084  -9.617   3.594
  125    HA   PHE  16           HA       PHE  16  -4.429  -7.633   1.742
  126   1HB   PHE  16          2HB       PHE  16  -3.789  -6.295   3.835
  127   2HB   PHE  16          1HB       PHE  16  -5.444  -6.871   3.709
  128    HD1  PHE  16           1HD      PHE  16  -2.154  -7.723   5.236
  129    HD2  PHE  16           2HD      PHE  16  -6.390  -8.087   5.433
  130    HE1  PHE  16           1HE      PHE  16  -1.956  -8.797   7.440
  131    HE2  PHE  16           2HE      PHE  16  -6.198  -9.161   7.637
  132    HZ   PHE  16           HZ       PHE  16  -3.980  -9.517   8.644
  133    H    VAL  17           H        VAL  17  -2.594  -6.801   0.995
  134    HA   VAL  17           HA       VAL  17  -0.124  -8.232   1.600
  135    HB   VAL  17           HB       VAL  17  -0.263  -6.125  -0.514
  136   1HG1  VAL  17          1HG1      VAL  17   1.528  -8.184   0.247
  137   2HG1  VAL  17          2HG1      VAL  17   1.694  -7.013  -1.060
  138   3HG1  VAL  17          3HG1      VAL  17   0.918  -8.566  -1.363
  139   1HG2  VAL  17          1HG2      VAL  17  -1.346  -7.481  -2.105
  140   2HG2  VAL  17          2HG2      VAL  17  -2.358  -7.557  -0.663
  141   3HG2  VAL  17          3HG2      VAL  17  -1.284  -8.899  -1.058
  142    H    TYR  18           H        TYR  18   1.783  -6.417   1.011
  143    HA   TYR  18           HA       TYR  18   1.417  -3.951   2.445
  144   1HB   TYR  18          2HB       TYR  18   3.218  -4.444   4.108
  145   2HB   TYR  18          1HB       TYR  18   1.777  -5.427   4.345
  146    HD1  TYR  18           1HD      TYR  18   5.278  -5.466   3.177
  147    HD2  TYR  18           2HD      TYR  18   1.847  -7.810   4.094
  148    HE1  TYR  18           1HE      TYR  18   6.647  -7.505   3.062
  149    HE2  TYR  18           2HE      TYR  18   3.208  -9.854   3.986
  150    HH   TYR  18           HH       TYR  18   6.168 -10.126   4.301
  151    H    CYS  19           H        CYS  19   3.143  -2.491   2.056
  152    HA   CYS  19           HA       CYS  19   4.522  -2.911  -0.398
  153   1HB   CYS  19          2HB       CYS  19   4.694  -0.825   1.727
  154   2HB   CYS  19          1HB       CYS  19   5.625  -0.717   0.240
  155    H    CYS  20           H        CYS  20   6.874  -2.513  -0.646
  156    HA   CYS  20           HA       CYS  20   8.396  -4.371   0.890
  157   1HB   CYS  20          2HB       CYS  20   9.548  -2.232  -0.893
  158   2HB   CYS  20          1HB       CYS  20  10.216  -3.815  -0.529
  159    HA   PRO  21           HA       PRO  21   9.771  -1.932   4.279
  160   1HB   PRO  21          2HB       PRO  21  12.559  -2.633   3.523
  161   2HB   PRO  21          1HB       PRO  21  11.723  -2.786   5.073
  162   1HG   PRO  21          2HG       PRO  21  12.166  -4.933   3.542
  163   2HG   PRO  21          1HG       PRO  21  10.654  -4.755   4.453
  164   1HD   PRO  21          2HD       PRO  21  11.168  -4.365   1.535
  165   2HD   PRO  21          1HD       PRO  21   9.732  -5.015   2.347
  166    H    GLY  22           H        GLY  22   9.628   0.124   4.100
  167   1HA   GLY  22          2HA       GLY  22  10.999   2.187   3.903
  168   2HA   GLY  22          1HA       GLY  22  11.476   1.582   2.321
  169    H    LEU  23           H        LEU  23   8.772   0.579   1.716
  170    HA   LEU  23           HA       LEU  23   7.538   3.167   1.071
  171   1HB   LEU  23          2HB       LEU  23   7.126   0.471  -0.230
  172   2HB   LEU  23          1HB       LEU  23   6.473   2.001  -0.782
  173    HG   LEU  23           HG       LEU  23   9.415   1.332  -0.693
  174   1HD1  LEU  23          1HD1      LEU  23   7.887   1.655  -3.222
  175   2HD1  LEU  23          2HD1      LEU  23   7.773   0.123  -2.356
  176   3HD1  LEU  23          3HD1      LEU  23   9.344   0.718  -2.891
  177   1HD2  LEU  23          1HD2      LEU  23   8.863   3.406  -2.492
  178   2HD2  LEU  23          2HD2      LEU  23   9.710   3.518  -0.950
  179   3HD2  LEU  23          3HD2      LEU  23   7.969   3.792  -1.022
  180    H    ILE  24           H        ILE  24   5.241   3.381   1.283
  181    HA   ILE  24           HA       ILE  24   3.877   1.269   2.798
  182    HB   ILE  24           HB       ILE  24   2.901   3.044   4.328
  183   1HG1  ILE  24          2HG1      ILE  24   5.331   4.592   3.399
  184   2HG1  ILE  24          1HG1      ILE  24   3.662   4.998   3.017
  185   1HG2  ILE  24          1HG2      ILE  24   5.613   1.884   4.444
  186   2HG2  ILE  24          2HG2      ILE  24   4.243   1.688   5.537
  187   3HG2  ILE  24          3HG2      ILE  24   5.240   3.141   5.623
  188   1HD1  ILE  24          1HD1      ILE  24   3.708   4.817   5.781
  189   2HD1  ILE  24          2HD1      ILE  24   3.686   6.291   4.813
  190   3HD1  ILE  24          3HD1      ILE  24   5.222   5.617   5.359
  191    H    CYS  25           H        CYS  25   1.766   1.032   2.291
  192    HA   CYS  25           HA       CYS  25   0.689   2.379   0.052
  193   1HB   CYS  25          2HB       CYS  25  -0.494   0.528   2.105
  194   2HB   CYS  25          1HB       CYS  25  -1.511   1.291   0.889
  195    H    GLY  26           H        GLY  26  -0.596   4.121  -0.145
  196   1HA   GLY  26          2HA       GLY  26  -1.680   5.349   2.302
  197   2HA   GLY  26          1HA       GLY  26  -0.735   6.309   1.173
  198    HA   PRO  27           HA       PRO  27  -4.615   7.292  -0.747
  199   1HB   PRO  27          2HB       PRO  27  -3.123   8.173  -3.098
  200   2HB   PRO  27          1HB       PRO  27  -4.027   9.137  -1.929
  201   1HG   PRO  27          2HG       PRO  27  -1.327   9.204  -2.095
  202   2HG   PRO  27          1HG       PRO  27  -2.199   9.446  -0.571
  203   1HD   PRO  27          2HD       PRO  27  -0.815   6.991  -1.593
  204   2HD   PRO  27          1HD       PRO  27  -0.815   7.685   0.043
  205    H    PHE  28           H        PHE  28  -4.388   4.714  -0.908
  206    HA   PHE  28           HA       PHE  28  -4.997   2.857  -2.029
  207   1HB   PHE  28          2HB       PHE  28  -5.931   4.860  -4.112
  208   2HB   PHE  28          1HB       PHE  28  -6.195   3.124  -4.252
  209    HD1  PHE  28           1HD      PHE  28  -8.249   2.372  -3.633
  210    HD2  PHE  28           2HD      PHE  28  -6.660   5.794  -1.665
  211    HE1  PHE  28           1HE      PHE  28 -10.318   2.573  -2.318
  212    HE2  PHE  28           2HE      PHE  28  -8.725   5.998  -0.344
  213    HZ   PHE  28           HZ       PHE  28 -10.558   4.387  -0.670
  214    H    VAL  29           H        VAL  29  -2.358   4.305  -2.447
  215    HA   VAL  29           HA       VAL  29  -1.258   2.376  -4.310
  216    HB   VAL  29           HB       VAL  29   0.153   4.095  -5.478
  217   1HG1  VAL  29          1HG1      VAL  29  -2.832   4.213  -5.868
  218   2HG1  VAL  29          2HG1      VAL  29  -1.650   3.241  -6.745
  219   3HG1  VAL  29          3HG1      VAL  29  -1.687   4.991  -6.961
  220   1HG2  VAL  29          1HG2      VAL  29   0.212   6.074  -4.394
  221   2HG2  VAL  29          2HG2      VAL  29  -1.421   5.901  -3.750
  222   3HG2  VAL  29          3HG2      VAL  29  -1.180   6.440  -5.412
  223    H    CYS  30           H        CYS  30   1.177   2.429  -4.057
  224    HA   CYS  30           HA       CYS  30   1.766   2.926  -1.257
  225   1HB   CYS  30          2HB       CYS  30   2.366   0.789  -2.558
  226   2HB   CYS  30          1HB       CYS  30   3.628   1.751  -3.311
  227    H    VAL  31           H        VAL  31   3.599   4.155  -0.556
  228    HA   VAL  31           HA       VAL  31   4.808   5.909  -2.563
  229    HB   VAL  31           HB       VAL  31   4.535   7.887  -1.059
  230   1HG1  VAL  31          1HG1      VAL  31   3.046   8.139  -2.743
  231   2HG1  VAL  31          2HG1      VAL  31   1.887   7.930  -1.430
  232   3HG1  VAL  31          3HG1      VAL  31   2.299   6.565  -2.468
  233   1HG2  VAL  31          1HG2      VAL  31   3.321   5.888   0.657
  234   2HG2  VAL  31          2HG2      VAL  31   2.281   7.294   0.429
  235   3HG2  VAL  31          3HG2      VAL  31   3.920   7.500   1.047
  Start of MODEL    4
    1   1H    ALA   1          1HT       ALA   1   4.207 -10.639   1.209
    2   2H    ALA   1          2HT       ALA   1   3.683 -11.874   0.174
    3   3H    ALA   1          3HT       ALA   1   2.701 -10.523   0.443
    4    HA   ALA   1           HA       ALA   1   5.358 -10.430  -0.853
    5   1HB   ALA   1          1HB       ALA   1   3.037  -9.777  -2.491
    6   2HB   ALA   1          2HB       ALA   1   3.054 -11.457  -1.952
    7   3HB   ALA   1          3HB       ALA   1   4.424 -10.805  -2.850
    8    H    CYS   2           H        CYS   2   6.052  -8.381  -1.350
    9    HA   CYS   2           HA       CYS   2   4.566  -6.201  -0.084
   10   1HB   CYS   2          2HB       CYS   2   6.606  -4.967  -0.152
   11   2HB   CYS   2          1HB       CYS   2   6.970  -6.574   0.452
   12    H    SER   3           H        SER   3   3.632  -4.604  -1.158
   13    HA   SER   3           HA       SER   3   3.378  -4.821  -4.023
   14   1HB   SER   3          2HB       SER   3   2.196  -2.751  -2.157
   15   2HB   SER   3          1HB       SER   3   1.661  -3.130  -3.795
   16    HG   SER   3           HG       SER   3   1.126  -5.233  -3.028
   17    H    LYS   4           H        LYS   4   4.074  -3.339  -5.548
   18    HA   LYS   4           HA       LYS   4   6.395  -1.820  -4.885
   19   1HB   LYS   4          2HB       LYS   4   4.783  -1.820  -7.449
   20   2HB   LYS   4          1HB       LYS   4   6.388  -1.128  -7.245
   21   1HG   LYS   4          2HG       LYS   4   7.144  -3.463  -6.583
   22   2HG   LYS   4          1HG       LYS   4   5.588  -4.023  -7.195
   23   1HD   LYS   4          2HD       LYS   4   7.639  -2.479  -8.784
   24   2HD   LYS   4          1HD       LYS   4   7.391  -4.222  -8.865
   25   1HE   LYS   4          2HE       LYS   4   5.355  -2.111  -9.576
   26   2HE   LYS   4          1HE       LYS   4   6.302  -3.054 -10.724
   27   1HZ   LYS   4          1HZ       LYS   4   5.115  -4.926  -9.133
   28   2HZ   LYS   4          2HZ       LYS   4   4.609  -4.477 -10.680
   29   3HZ   LYS   4          3HZ       LYS   4   3.905  -3.753  -9.319
   30    H    LYS   5           H        LYS   5   6.626   0.504  -5.239
   31    HA   LYS   5           HA       LYS   5   4.887   1.975  -3.733
   32   1HB   LYS   5          2HB       LYS   5   7.055   2.853  -4.117
   33   2HB   LYS   5          1HB       LYS   5   6.814   2.877  -5.859
   34   1HG   LYS   5          2HG       LYS   5   5.503   4.770  -5.784
   35   2HG   LYS   5          1HG       LYS   5   5.032   4.501  -4.122
   36   1HD   LYS   5          2HD       LYS   5   7.239   5.140  -3.358
   37   2HD   LYS   5          1HD       LYS   5   7.781   5.323  -5.030
   38   1HE   LYS   5          2HE       LYS   5   6.617   7.267  -5.343
   39   2HE   LYS   5          1HE       LYS   5   5.376   6.844  -4.166
   40   1HZ   LYS   5          1HZ       LYS   5   8.131   7.801  -3.601
   41   2HZ   LYS   5          2HZ       LYS   5   7.090   7.194  -2.407
   42   3HZ   LYS   5          3HZ       LYS   5   6.678   8.598  -3.262
   43    H    TRP   6           H        TRP   6   5.058   2.418  -7.247
   44    HA   TRP   6           HA       TRP   6   2.502   3.719  -7.153
   45   1HB   TRP   6          2HB       TRP   6   4.015   2.997  -9.661
   46   2HB   TRP   6          1HB       TRP   6   2.879   4.319  -9.408
   47    HD1  TRP   6           HD       TRP   6   6.488   3.295  -8.551
   48    HE1  TRP   6           1HE      TRP   6   7.849   5.413  -8.041
   49    HE3  TRP   6           3HE      TRP   6   2.699   6.721  -8.581
   50    HZ2  TRP   6           2HZ      TRP   6   7.377   8.169  -7.677
   51    HZ3  TRP   6           3HZ      TRP   6   3.236   9.076  -8.134
   52    HH2  TRP   6           HH       TRP   6   5.528   9.784  -7.684
   53    H    GLU   7           H        GLU   7   2.596   0.944  -6.352
   54    HA   GLU   7           HA       GLU   7   1.367  -0.589  -8.489
   55   1HB   GLU   7          2HB       GLU   7   2.694  -1.389  -6.331
   56   2HB   GLU   7          1HB       GLU   7   1.092  -1.360  -5.611
   57   1HG   GLU   7          2HG       GLU   7   1.416  -3.563  -6.321
   58   2HG   GLU   7          1HG       GLU   7   0.357  -2.840  -7.532
   59    H    TYR   8           H        TYR   8  -0.432  -1.432  -5.947
   60    HA   TYR   8           HA       TYR   8  -2.408   0.634  -5.876
   61   1HB   TYR   8          2HB       TYR   8  -2.852  -0.477  -8.099
   62   2HB   TYR   8          1HB       TYR   8  -3.159  -1.975  -7.230
   63    HD1  TYR   8           1HD      TYR   8  -4.250   1.599  -6.975
   64    HD2  TYR   8           2HD      TYR   8  -5.384  -2.501  -6.975
   65    HE1  TYR   8           1HE      TYR   8  -6.603   2.256  -6.696
   66    HE2  TYR   8           2HE      TYR   8  -7.740  -1.856  -6.698
   67    HH   TYR   8           HH       TYR   8  -8.690   1.559  -6.422
   68    H    CYS   9           H        CYS   9  -3.525   0.437  -3.986
   69    HA   CYS   9           HA       CYS   9  -3.783  -2.173  -2.750
   70   1HB   CYS   9          2HB       CYS   9  -2.795  -1.295  -0.586
   71   2HB   CYS   9          1HB       CYS   9  -1.649  -1.632  -1.877
   72    H    ILE  10           H        ILE  10  -5.611  -2.371  -1.700
   73    HA   ILE  10           HA       ILE  10  -7.018   0.005  -0.709
   74    HB   ILE  10           HB       ILE  10  -9.173  -1.087  -1.509
   75   1HG1  ILE  10          2HG1      ILE  10  -7.255  -2.592  -3.306
   76   2HG1  ILE  10          1HG1      ILE  10  -8.205  -3.308  -2.009
   77   1HG2  ILE  10          1HG2      ILE  10  -8.234   0.919  -2.535
   78   2HG2  ILE  10          2HG2      ILE  10  -9.022  -0.109  -3.732
   79   3HG2  ILE  10          3HG2      ILE  10  -7.262  -0.084  -3.612
   80   1HD1  ILE  10          1HD1      ILE  10  -9.973  -3.523  -3.327
   81   2HD1  ILE  10          2HD1      ILE  10  -8.920  -3.082  -4.672
   82   3HD1  ILE  10          3HD1      ILE  10  -9.872  -1.843  -3.854
   83    H    VAL  11           H        VAL  11  -5.555  -1.529   0.894
   84    HA   VAL  11           HA       VAL  11  -6.868  -3.783   1.982
   85    HB   VAL  11           HB       VAL  11  -5.276  -3.589   3.849
   86   1HG1  VAL  11          1HG1      VAL  11  -4.438  -4.778   2.018
   87   2HG1  VAL  11          2HG1      VAL  11  -3.169  -3.616   2.400
   88   3HG1  VAL  11          3HG1      VAL  11  -4.255  -3.322   1.041
   89   1HG2  VAL  11          1HG2      VAL  11  -4.374  -1.044   2.497
   90   2HG2  VAL  11          2HG2      VAL  11  -3.598  -1.817   3.880
   91   3HG2  VAL  11          3HG2      VAL  11  -5.220  -1.145   4.041
   92    HA   PRO  12           HA       PRO  12  -9.906  -1.709   4.449
   93   1HB   PRO  12          2HB       PRO  12 -10.769  -3.825   5.876
   94   2HB   PRO  12          1HB       PRO  12 -11.137  -3.637   4.157
   95   1HG   PRO  12          2HG       PRO  12  -9.048  -5.325   5.476
   96   2HG   PRO  12          1HG       PRO  12 -10.119  -5.724   4.121
   97   1HD   PRO  12          2HD       PRO  12  -7.512  -4.965   3.814
   98   2HD   PRO  12          1HD       PRO  12  -8.764  -4.692   2.587
   99    H    ILE  13           H        ILE  13 -10.594  -2.365   7.007
  100    HA   ILE  13           HA       ILE  13  -8.753  -0.969   8.562
  101    HB   ILE  13           HB       ILE  13 -10.050  -1.790  10.531
  102   1HG1  ILE  13          2HG1      ILE  13 -11.687  -3.236   8.432
  103   2HG1  ILE  13          1HG1      ILE  13 -10.628  -4.020   9.599
  104   1HG2  ILE  13          1HG2      ILE  13 -11.171  -0.389   8.185
  105   2HG2  ILE  13          2HG2      ILE  13 -10.959   0.164   9.847
  106   3HG2  ILE  13          3HG2      ILE  13 -12.317  -0.882   9.432
  107   1HD1  ILE  13          1HD1      ILE  13 -12.015  -3.326  11.415
  108   2HD1  ILE  13          2HD1      ILE  13 -13.036  -4.079  10.191
  109   3HD1  ILE  13          3HD1      ILE  13 -12.996  -2.322  10.346
  110    H    LEU  14           H        LEU  14  -9.095  -4.439   8.065
  111    HA   LEU  14           HA       LEU  14  -7.002  -4.956  10.037
  112   1HB   LEU  14          2HB       LEU  14  -8.689  -6.870   8.423
  113   2HB   LEU  14          1HB       LEU  14  -7.532  -7.333   9.655
  114    HG   LEU  14           HG       LEU  14 -10.041  -5.720  10.132
  115   1HD1  LEU  14          1HD1      LEU  14 -11.069  -7.688  10.132
  116   2HD1  LEU  14          2HD1      LEU  14 -10.129  -8.097  11.568
  117   3HD1  LEU  14          3HD1      LEU  14  -9.545  -8.559   9.969
  118   1HD2  LEU  14          1HD2      LEU  14  -8.307  -6.960  12.238
  119   2HD2  LEU  14          2HD2      LEU  14  -9.514  -5.683  12.397
  120   3HD2  LEU  14          3HD2      LEU  14  -7.968  -5.343  11.618
  121    H    GLY  15           H        GLY  15  -6.759  -3.766   7.191
  122   1HA   GLY  15          2HA       GLY  15  -5.165  -3.782   5.544
  123   2HA   GLY  15          1HA       GLY  15  -4.204  -4.790   6.614
  124    H    PHE  16           H        PHE  16  -3.469  -5.891   4.724
  125    HA   PHE  16           HA       PHE  16  -4.632  -8.355   4.252
  126   1HB   PHE  16          2HB       PHE  16  -6.389  -7.003   3.056
  127   2HB   PHE  16          1HB       PHE  16  -5.143  -6.471   1.932
  128    HD1  PHE  16           1HD      PHE  16  -5.820  -9.829   3.398
  129    HD2  PHE  16           2HD      PHE  16  -5.638  -7.423  -0.109
  130    HE1  PHE  16           1HE      PHE  16  -6.222 -11.822   2.014
  131    HE2  PHE  16           2HE      PHE  16  -6.040  -9.413  -1.498
  132    HZ   PHE  16           HZ       PHE  16  -6.333 -11.616  -0.437
  133    H    VAL  17           H        VAL  17  -2.988  -5.752   2.501
  134    HA   VAL  17           HA       VAL  17  -0.794  -7.623   1.901
  135    HB   VAL  17           HB       VAL  17  -1.129  -5.190   0.218
  136   1HG1  VAL  17          1HG1      VAL  17  -0.629  -7.705  -1.123
  137   2HG1  VAL  17          2HG1      VAL  17   0.506  -7.424   0.197
  138   3HG1  VAL  17          3HG1      VAL  17   0.337  -6.231  -1.090
  139   1HG2  VAL  17          1HG2      VAL  17  -3.127  -5.683  -0.615
  140   2HG2  VAL  17          2HG2      VAL  17  -3.264  -7.041   0.502
  141   3HG2  VAL  17          3HG2      VAL  17  -2.540  -7.277  -1.089
  142    H    TYR  18           H        TYR  18   1.162  -5.955   1.163
  143    HA   TYR  18           HA       TYR  18   1.402  -3.654   2.848
  144   1HB   TYR  18          2HB       TYR  18   3.321  -4.547   4.184
  145   2HB   TYR  18          1HB       TYR  18   1.786  -5.315   4.572
  146    HD1  TYR  18           1HD      TYR  18   5.026  -5.788   2.852
  147    HD2  TYR  18           2HD      TYR  18   1.450  -7.651   4.211
  148    HE1  TYR  18           1HE      TYR  18   6.014  -7.995   2.413
  149    HE2  TYR  18           2HE      TYR  18   2.433  -9.861   3.780
  150    HH   TYR  18           HH       TYR  18   5.318 -10.600   3.591
  151    H    CYS  19           H        CYS  19   3.176  -2.383   2.281
  152    HA   CYS  19           HA       CYS  19   4.281  -2.904  -0.319
  153   1HB   CYS  19          2HB       CYS  19   4.681  -0.753   1.720
  154   2HB   CYS  19          1HB       CYS  19   5.519  -0.737   0.174
  155    H    CYS  20           H        CYS  20   6.656  -2.555  -0.699
  156    HA   CYS  20           HA       CYS  20   8.168  -4.461   0.797
  157   1HB   CYS  20          2HB       CYS  20   9.234  -2.400  -1.136
  158   2HB   CYS  20          1HB       CYS  20   9.992  -3.915  -0.675
  159    HA   PRO  21           HA       PRO  21   9.774  -2.039   4.080
  160   1HB   PRO  21          2HB       PRO  21  12.502  -2.849   3.222
  161   2HB   PRO  21          1HB       PRO  21  11.722  -2.957   4.805
  162   1HG   PRO  21          2HG       PRO  21  12.022  -5.134   3.282
  163   2HG   PRO  21          1HG       PRO  21  10.551  -4.888   4.245
  164   1HD   PRO  21          2HD       PRO  21  10.976  -4.535   1.307
  165   2HD   PRO  21          1HD       PRO  21   9.548  -5.131   2.171
  166    H    GLY  22           H        GLY  22   9.680   0.015   3.877
  167   1HA   GLY  22          2HA       GLY  22  11.134   2.019   3.627
  168   2HA   GLY  22          1HA       GLY  22  11.509   1.400   2.025
  169    H    LEU  23           H        LEU  23   8.743   0.521   1.530
  170    HA   LEU  23           HA       LEU  23   7.613   3.168   0.940
  171   1HB   LEU  23          2HB       LEU  23   7.007   0.491  -0.323
  172   2HB   LEU  23          1HB       LEU  23   6.404   2.049  -0.854
  173    HG   LEU  23           HG       LEU  23   9.324   1.286  -0.866
  174   1HD1  LEU  23          1HD1      LEU  23   9.008   1.116  -3.331
  175   2HD1  LEU  23          2HD1      LEU  23   7.266   1.192  -3.063
  176   3HD1  LEU  23          3HD1      LEU  23   8.202  -0.152  -2.409
  177   1HD2  LEU  23          1HD2      LEU  23   8.527   3.337  -2.709
  178   2HD2  LEU  23          2HD2      LEU  23   9.728   3.397  -1.420
  179   3HD2  LEU  23          3HD2      LEU  23   8.041   3.771  -1.070
  180    H    ILE  24           H        ILE  24   5.369   3.541   1.290
  181    HA   ILE  24           HA       ILE  24   4.001   1.520   2.932
  182    HB   ILE  24           HB       ILE  24   3.090   3.274   4.422
  183   1HG1  ILE  24          2HG1      ILE  24   3.642   5.186   2.805
  184   2HG1  ILE  24          1HG1      ILE  24   3.910   5.480   4.516
  185   1HG2  ILE  24          1HG2      ILE  24   6.087   2.996   4.464
  186   2HG2  ILE  24          2HG2      ILE  24   4.918   1.874   5.159
  187   3HG2  ILE  24          3HG2      ILE  24   5.081   3.500   5.822
  188   1HD1  ILE  24          1HD1      ILE  24   6.176   5.580   4.281
  189   2HD1  ILE  24          2HD1      ILE  24   5.670   6.188   2.705
  190   3HD1  ILE  24          3HD1      ILE  24   6.191   4.511   2.877
  191    H    CYS  25           H        CYS  25   1.931   1.186   2.427
  192    HA   CYS  25           HA       CYS  25   0.792   2.378   0.129
  193   1HB   CYS  25          2HB       CYS  25   0.163   0.133   0.722
  194   2HB   CYS  25          1HB       CYS  25  -0.421   0.657   2.297
  195    H    GLY  26           H        GLY  26  -0.755   3.954  -0.131
  196   1HA   GLY  26          2HA       GLY  26  -1.841   5.235   2.274
  197   2HA   GLY  26          1HA       GLY  26  -0.902   6.216   1.159
  198    HA   PRO  27           HA       PRO  27  -4.812   7.102  -0.748
  199   1HB   PRO  27          2HB       PRO  27  -3.898   8.396  -2.946
  200   2HB   PRO  27          1HB       PRO  27  -3.883   9.116  -1.333
  201   1HG   PRO  27          2HG       PRO  27  -1.657   7.798  -2.840
  202   2HG   PRO  27          1HG       PRO  27  -1.629   9.288  -1.878
  203   1HD   PRO  27          2HD       PRO  27  -0.725   6.913  -0.931
  204   2HD   PRO  27          1HD       PRO  27  -1.453   8.149   0.114
  205    H    PHE  28           H        PHE  28  -4.539   4.561  -1.058
  206    HA   PHE  28           HA       PHE  28  -5.106   2.772  -2.309
  207   1HB   PHE  28          2HB       PHE  28  -5.892   4.908  -4.317
  208   2HB   PHE  28          1HB       PHE  28  -6.075   3.189  -4.651
  209    HD1  PHE  28           1HD      PHE  28  -8.389   3.025  -4.808
  210    HD2  PHE  28           2HD      PHE  28  -6.651   4.867  -1.388
  211    HE1  PHE  28           1HE      PHE  28 -10.585   3.034  -3.701
  212    HE2  PHE  28           2HE      PHE  28  -8.845   4.878  -0.275
  213    HZ   PHE  28           HZ       PHE  28 -10.815   3.960  -1.431
  214    H    VAL  29           H        VAL  29  -2.436   4.334  -2.541
  215    HA   VAL  29           HA       VAL  29  -1.194   2.412  -4.314
  216    HB   VAL  29           HB       VAL  29   0.203   4.127  -5.478
  217   1HG1  VAL  29          1HG1      VAL  29  -1.493   4.871  -7.102
  218   2HG1  VAL  29          2HG1      VAL  29  -2.763   4.362  -5.990
  219   3HG1  VAL  29          3HG1      VAL  29  -1.663   3.167  -6.678
  220   1HG2  VAL  29          1HG2      VAL  29  -1.762   6.081  -4.274
  221   2HG2  VAL  29          2HG2      VAL  29  -0.599   6.468  -5.542
  222   3HG2  VAL  29          3HG2      VAL  29  -0.033   5.978  -3.946
  223    H    CYS  30           H        CYS  30   1.198   2.524  -3.999
  224    HA   CYS  30           HA       CYS  30   1.725   3.108  -1.202
  225   1HB   CYS  30          2HB       CYS  30   2.350   0.935  -2.469
  226   2HB   CYS  30          1HB       CYS  30   3.662   1.886  -3.149
  227    H    VAL  31           H        VAL  31   3.629   4.316  -0.552
  228    HA   VAL  31           HA       VAL  31   4.749   6.064  -2.620
  229    HB   VAL  31           HB       VAL  31   4.559   8.034  -1.097
  230   1HG1  VAL  31          1HG1      VAL  31   1.737   7.446  -1.375
  231   2HG1  VAL  31          2HG1      VAL  31   2.652   6.989  -2.812
  232   3HG1  VAL  31          3HG1      VAL  31   2.729   8.645  -2.206
  233   1HG2  VAL  31          1HG2      VAL  31   4.071   7.631   1.041
  234   2HG2  VAL  31          2HG2      VAL  31   3.437   6.026   0.676
  235   3HG2  VAL  31          3HG2      VAL  31   2.397   7.441   0.518
  Start of MODEL    5
    1   1H    ALA   1          1HT       ALA   1   5.638 -10.368   1.346
    2   2H    ALA   1          2HT       ALA   1   6.540 -11.600   0.614
    3   3H    ALA   1          3HT       ALA   1   4.851 -11.674   0.611
    4    HA   ALA   1           HA       ALA   1   6.594 -10.411  -1.227
    5   1HB   ALA   1          1HB       ALA   1   4.558 -11.942  -1.579
    6   2HB   ALA   1          2HB       ALA   1   4.769 -10.575  -2.674
    7   3HB   ALA   1          3HB       ALA   1   3.598 -10.479  -1.359
    8    H    CYS   2           H        CYS   2   6.736  -8.294  -1.857
    9    HA   CYS   2           HA       CYS   2   5.242  -6.349  -0.209
   10   1HB   CYS   2          2HB       CYS   2   7.121  -4.891  -0.321
   11   2HB   CYS   2          1HB       CYS   2   7.688  -6.466   0.209
   12    H    SER   3           H        SER   3   4.057  -4.888  -1.181
   13    HA   SER   3           HA       SER   3   3.541  -5.102  -3.977
   14   1HB   SER   3          2HB       SER   3   2.530  -2.968  -2.096
   15   2HB   SER   3          1HB       SER   3   1.765  -3.559  -3.571
   16    HG   SER   3           HG       SER   3   0.809  -4.465  -1.702
   17    H    LYS   4           H        LYS   4   3.934  -3.646  -5.605
   18    HA   LYS   4           HA       LYS   4   6.291  -2.088  -5.475
   19   1HB   LYS   4          2HB       LYS   4   5.520  -3.079  -7.565
   20   2HB   LYS   4          1HB       LYS   4   4.040  -2.139  -7.503
   21   1HG   LYS   4          2HG       LYS   4   5.316  -0.089  -7.807
   22   2HG   LYS   4          1HG       LYS   4   6.814  -1.018  -7.834
   23   1HD   LYS   4          2HD       LYS   4   6.142  -0.473 -10.099
   24   2HD   LYS   4          1HD       LYS   4   6.013  -2.211  -9.837
   25   1HE   LYS   4          2HE       LYS   4   3.589  -0.577  -9.337
   26   2HE   LYS   4          1HE       LYS   4   4.092  -0.776 -11.014
   27   1HZ   LYS   4          1HZ       LYS   4   4.036  -3.193 -10.667
   28   2HZ   LYS   4          2HZ       LYS   4   2.523  -2.487 -10.395
   29   3HZ   LYS   4          3HZ       LYS   4   3.477  -2.964  -9.084
   30    H    LYS   5           H        LYS   5   6.543   0.187  -5.422
   31    HA   LYS   5           HA       LYS   5   4.923   1.571  -3.683
   32   1HB   LYS   5          2HB       LYS   5   7.062   2.474  -3.999
   33   2HB   LYS   5          1HB       LYS   5   6.876   2.536  -5.748
   34   1HG   LYS   5          2HG       LYS   5   5.593   4.457  -5.674
   35   2HG   LYS   5          1HG       LYS   5   5.084   4.171  -4.027
   36   1HD   LYS   5          2HD       LYS   5   7.274   4.770  -3.203
   37   2HD   LYS   5          1HD       LYS   5   7.872   4.939  -4.857
   38   1HE   LYS   5          2HE       LYS   5   6.747   6.904  -5.212
   39   2HE   LYS   5          1HE       LYS   5   5.484   6.521  -4.044
   40   1HZ   LYS   5          1HZ       LYS   5   7.162   6.854  -2.264
   41   2HZ   LYS   5          2HZ       LYS   5   6.840   8.258  -3.160
   42   3HZ   LYS   5          3HZ       LYS   5   8.261   7.388  -3.443
   43    H    TRP   6           H        TRP   6   4.951   2.059  -7.199
   44    HA   TRP   6           HA       TRP   6   2.577   3.652  -6.966
   45   1HB   TRP   6          2HB       TRP   6   3.887   2.710  -9.519
   46   2HB   TRP   6          1HB       TRP   6   2.841   4.111  -9.290
   47    HD1  TRP   6           HD       TRP   6   6.411   2.903  -8.520
   48    HE1  TRP   6           1HE      TRP   6   7.905   4.948  -8.096
   49    HE3  TRP   6           3HE      TRP   6   2.824   6.535  -8.472
   50    HZ2  TRP   6           2HZ      TRP   6   7.603   7.729  -7.759
   51    HZ3  TRP   6           3HZ      TRP   6   3.505   8.863  -8.080
   52    HH2  TRP   6           HH       TRP   6   5.848   9.446  -7.722
   53    H    GLU   7           H        GLU   7   2.459   0.863  -6.137
   54    HA   GLU   7           HA       GLU   7   0.723  -0.428  -8.094
   55   1HB   GLU   7          2HB       GLU   7   2.306  -1.533  -6.253
   56   2HB   GLU   7          1HB       GLU   7   0.872  -1.344  -5.253
   57   1HG   GLU   7          2HG       GLU   7   0.684  -3.493  -6.101
   58   2HG   GLU   7          1HG       GLU   7  -0.369  -2.537  -7.147
   59    H    TYR   8           H        TYR   8  -1.511  -0.664  -7.839
   60    HA   TYR   8           HA       TYR   8  -2.827   1.469  -6.442
   61   1HB   TYR   8          2HB       TYR   8  -3.506   0.435  -8.686
   62   2HB   TYR   8          1HB       TYR   8  -4.135  -0.922  -7.764
   63    HD1  TYR   8           1HD      TYR   8  -6.421  -0.909  -7.581
   64    HD2  TYR   8           2HD      TYR   8  -4.355   2.810  -7.507
   65    HE1  TYR   8           1HE      TYR   8  -8.563   0.269  -7.324
   66    HE2  TYR   8           2HE      TYR   8  -6.492   3.998  -7.244
   67    HH   TYR   8           HH       TYR   8  -8.734   3.625  -6.549
   68    H    CYS   9           H        CYS   9  -1.649   0.430  -4.441
   69    HA   CYS   9           HA       CYS   9  -2.906  -1.795  -3.183
   70   1HB   CYS   9          2HB       CYS   9  -0.585  -1.158  -2.695
   71   2HB   CYS   9          1HB       CYS   9  -1.141   0.367  -2.012
   72    H    ILE  10           H        ILE  10  -5.017  -1.623  -2.753
   73    HA   ILE  10           HA       ILE  10  -5.947   0.758  -1.290
   74    HB   ILE  10           HB       ILE  10  -8.233   0.114  -2.056
   75   1HG1  ILE  10          2HG1      ILE  10  -6.736  -1.810  -3.855
   76   2HG1  ILE  10          1HG1      ILE  10  -7.741  -2.280  -2.489
   77   1HG2  ILE  10          1HG2      ILE  10  -6.042   0.966  -3.859
   78   2HG2  ILE  10          2HG2      ILE  10  -7.481   1.837  -3.330
   79   3HG2  ILE  10          3HG2      ILE  10  -7.607   0.609  -4.589
   80   1HD1  ILE  10          1HD1      ILE  10  -8.668  -2.336  -4.930
   81   2HD1  ILE  10          2HD1      ILE  10  -8.938  -0.617  -4.642
   82   3HD1  ILE  10          3HD1      ILE  10  -9.689  -1.817  -3.590
   83    H    VAL  11           H        VAL  11  -4.615  -1.596  -0.215
   84    HA   VAL  11           HA       VAL  11  -4.826  -3.326   1.268
   85    HB   VAL  11           HB       VAL  11  -5.725  -2.544   3.469
   86   1HG1  VAL  11          1HG1      VAL  11  -4.050  -0.299   2.852
   87   2HG1  VAL  11          2HG1      VAL  11  -3.465  -1.742   2.024
   88   3HG1  VAL  11          3HG1      VAL  11  -3.676  -1.755   3.774
   89   1HG2  VAL  11          1HG2      VAL  11  -6.910  -0.660   3.747
   90   2HG2  VAL  11          2HG2      VAL  11  -7.240  -0.787   2.019
   91   3HG2  VAL  11          3HG2      VAL  11  -5.926   0.240   2.592
   92    HA   PRO  12           HA       PRO  12  -9.266  -4.529   0.339
   93   1HB   PRO  12          2HB       PRO  12  -8.731  -6.664  -1.245
   94   2HB   PRO  12          1HB       PRO  12  -8.912  -5.025  -1.878
   95   1HG   PRO  12          2HG       PRO  12  -6.423  -6.574  -1.309
   96   2HG   PRO  12          1HG       PRO  12  -6.791  -5.504  -2.674
   97   1HD   PRO  12          2HD       PRO  12  -5.273  -4.748  -0.536
   98   2HD   PRO  12          1HD       PRO  12  -6.241  -3.614  -1.499
   99    H    ILE  13           H        ILE  13 -10.287  -6.017   1.593
  100    HA   ILE  13           HA       ILE  13  -8.937  -7.338   3.636
  101    HB   ILE  13           HB       ILE  13 -11.061  -8.578   4.034
  102   1HG1  ILE  13          2HG1      ILE  13 -12.035  -7.050   1.607
  103   2HG1  ILE  13          1HG1      ILE  13 -11.736  -8.783   1.653
  104   1HG2  ILE  13          1HG2      ILE  13 -11.234  -6.696   5.244
  105   2HG2  ILE  13          2HG2      ILE  13 -12.412  -6.222   4.019
  106   3HG2  ILE  13          3HG2      ILE  13 -10.743  -5.666   3.899
  107   1HD1  ILE  13          1HD1      ILE  13 -13.606  -9.209   2.899
  108   2HD1  ILE  13          2HD1      ILE  13 -14.146  -7.823   1.951
  109   3HD1  ILE  13          3HD1      ILE  13 -13.625  -7.600   3.622
  110    H    LEU  14           H        LEU  14  -9.733  -8.426   0.434
  111    HA   LEU  14           HA       LEU  14  -9.368 -11.204   0.865
  112   1HB   LEU  14          2HB       LEU  14 -10.595 -10.246  -1.054
  113   2HB   LEU  14          1HB       LEU  14  -9.090  -9.606  -1.682
  114    HG   LEU  14           HG       LEU  14  -8.241 -11.936  -1.910
  115   1HD1  LEU  14          1HD1      LEU  14 -10.777 -13.262  -1.880
  116   2HD1  LEU  14          2HD1      LEU  14 -10.462 -12.540  -0.302
  117   3HD1  LEU  14          3HD1      LEU  14  -9.298 -13.662  -1.007
  118   1HD2  LEU  14          1HD2      LEU  14 -10.642 -10.933  -3.367
  119   2HD2  LEU  14          2HD2      LEU  14 -10.011 -12.537  -3.739
  120   3HD2  LEU  14          3HD2      LEU  14  -8.980 -11.118  -3.926
  121    H    GLY  15           H        GLY  15  -7.174  -8.563   0.407
  122   1HA   GLY  15          2HA       GLY  15  -4.905 -10.021   1.126
  123   2HA   GLY  15          1HA       GLY  15  -4.963  -9.982  -0.631
  124    H    PHE  16           H        PHE  16  -4.881  -7.973   2.257
  125    HA   PHE  16           HA       PHE  16  -4.485  -5.531   0.878
  126   1HB   PHE  16          2HB       PHE  16  -3.664  -4.771   3.217
  127   2HB   PHE  16          1HB       PHE  16  -5.347  -5.236   3.012
  128    HD1  PHE  16           1HD      PHE  16  -6.290  -6.752   4.462
  129    HD2  PHE  16           2HD      PHE  16  -2.054  -6.644   4.064
  130    HE1  PHE  16           1HE      PHE  16  -6.079  -8.357   6.314
  131    HE2  PHE  16           2HE      PHE  16  -1.837  -8.253   5.912
  132    HZ   PHE  16           HZ       PHE  16  -3.849  -9.111   7.039
  133    H    VAL  17           H        VAL  17  -2.320  -7.989   2.058
  134    HA   VAL  17           HA       VAL  17  -0.073  -8.318   1.886
  135    HB   VAL  17           HB       VAL  17   0.119  -6.314  -0.334
  136   1HG1  VAL  17          1HG1      VAL  17   1.185  -8.943  -0.841
  137   2HG1  VAL  17          2HG1      VAL  17   1.784  -8.313   0.694
  138   3HG1  VAL  17          3HG1      VAL  17   2.017  -7.389  -0.790
  139   1HG2  VAL  17          1HG2      VAL  17  -1.320  -8.957  -0.481
  140   2HG2  VAL  17          2HG2      VAL  17  -0.689  -8.115  -1.898
  141   3HG2  VAL  17          3HG2      VAL  17  -1.938  -7.361  -0.906
  142    H    TYR  18           H        TYR  18   1.838  -6.341   0.951
  143    HA   TYR  18           HA       TYR  18   1.722  -4.019   2.576
  144   1HB   TYR  18          2HB       TYR  18   3.572  -4.621   4.128
  145   2HB   TYR  18          1HB       TYR  18   2.126  -5.586   4.399
  146    HD1  TYR  18           1HD      TYR  18   2.134  -7.961   4.032
  147    HD2  TYR  18           2HD      TYR  18   5.581  -5.641   3.109
  148    HE1  TYR  18           1HE      TYR  18   3.461 -10.021   3.829
  149    HE2  TYR  18           2HE      TYR  18   6.914  -7.696   2.899
  150    HH   TYR  18           HH       TYR  18   6.395 -10.363   4.076
  151    H    CYS  19           H        CYS  19   3.324  -2.562   2.004
  152    HA   CYS  19           HA       CYS  19   4.645  -3.028  -0.471
  153   1HB   CYS  19          2HB       CYS  19   4.866  -0.865   1.580
  154   2HB   CYS  19          1HB       CYS  19   5.674  -0.778   0.021
  155    H    CYS  20           H        CYS  20   6.991  -2.505  -0.769
  156    HA   CYS  20           HA       CYS  20   8.605  -4.314   0.723
  157   1HB   CYS  20          2HB       CYS  20   9.605  -2.106  -1.071
  158   2HB   CYS  20          1HB       CYS  20  10.399  -3.626  -0.695
  159    HA   PRO  21           HA       PRO  21   9.960  -1.922   4.140
  160   1HB   PRO  21          2HB       PRO  21  12.759  -2.433   3.269
  161   2HB   PRO  21          1HB       PRO  21  11.988  -2.679   4.841
  162   1HG   PRO  21          2HG       PRO  21  12.494  -4.751   3.231
  163   2HG   PRO  21          1HG       PRO  21  11.008  -4.685   4.197
  164   1HD   PRO  21          2HD       PRO  21  11.395  -4.187   1.278
  165   2HD   PRO  21          1HD       PRO  21  10.023  -4.932   2.120
  166    H    GLY  22           H        GLY  22   9.670   0.119   4.026
  167   1HA   GLY  22          2HA       GLY  22  10.864   2.279   3.882
  168   2HA   GLY  22          1HA       GLY  22  11.400   1.759   2.290
  169    H    LEU  23           H        LEU  23   8.780   0.576   1.621
  170    HA   LEU  23           HA       LEU  23   7.412   3.081   0.958
  171   1HB   LEU  23          2HB       LEU  23   7.013   0.326  -0.213
  172   2HB   LEU  23          1HB       LEU  23   6.382   1.836  -0.839
  173    HG   LEU  23           HG       LEU  23   9.320   1.158  -0.703
  174   1HD1  LEU  23          1HD1      LEU  23   7.540   1.155  -3.130
  175   2HD1  LEU  23          2HD1      LEU  23   7.980  -0.301  -2.237
  176   3HD1  LEU  23          3HD1      LEU  23   9.230   0.661  -3.026
  177   1HD2  LEU  23          1HD2      LEU  23   8.633   3.120  -2.645
  178   2HD2  LEU  23          2HD2      LEU  23   9.673   3.282  -1.230
  179   3HD2  LEU  23          3HD2      LEU  23   7.944   3.599  -1.094
  180    H    ILE  24           H        ILE  24   5.163   3.289   1.285
  181    HA   ILE  24           HA       ILE  24   3.844   1.180   2.843
  182    HB   ILE  24           HB       ILE  24   2.886   2.961   4.374
  183   1HG1  ILE  24          2HG1      ILE  24   5.286   4.523   3.391
  184   2HG1  ILE  24          1HG1      ILE  24   3.608   4.906   3.017
  185   1HG2  ILE  24          1HG2      ILE  24   5.841   2.423   4.621
  186   2HG2  ILE  24          2HG2      ILE  24   4.560   1.298   5.073
  187   3HG2  ILE  24          3HG2      ILE  24   4.731   2.830   5.930
  188   1HD1  ILE  24          1HD1      ILE  24   5.090   5.195   5.586
  189   2HD1  ILE  24          2HD1      ILE  24   3.336   5.005   5.596
  190   3HD1  ILE  24          3HD1      ILE  24   4.072   6.357   4.735
  191    H    CYS  25           H        CYS  25   1.752   0.893   2.325
  192    HA   CYS  25           HA       CYS  25   0.615   2.158   0.085
  193   1HB   CYS  25          2HB       CYS  25  -0.743   0.607   2.302
  194   2HB   CYS  25          1HB       CYS  25  -1.502   1.045   0.778
  195    H    GLY  26           H        GLY  26  -0.772   3.877  -0.165
  196   1HA   GLY  26          2HA       GLY  26  -1.783   5.197   2.253
  197   2HA   GLY  26          1HA       GLY  26  -0.764   6.118   1.160
  198    HA   PRO  27           HA       PRO  27  -4.622   7.398  -0.652
  199   1HB   PRO  27          2HB       PRO  27  -3.588   8.757  -2.765
  200   2HB   PRO  27          1HB       PRO  27  -3.584   9.384  -1.112
  201   1HG   PRO  27          2HG       PRO  27  -1.387   8.026  -2.629
  202   2HG   PRO  27          1HG       PRO  27  -1.308   9.464  -1.594
  203   1HD   PRO  27          2HD       PRO  27  -0.545   7.023  -0.730
  204   2HD   PRO  27          1HD       PRO  27  -1.291   8.218   0.350
  205    H    PHE  28           H        PHE  28  -4.574   4.886  -1.131
  206    HA   PHE  28           HA       PHE  28  -5.264   3.237  -2.505
  207   1HB   PHE  28          2HB       PHE  28  -5.793   5.541  -4.413
  208   2HB   PHE  28          1HB       PHE  28  -6.158   3.866  -4.814
  209    HD1  PHE  28           1HD      PHE  28  -8.429   3.631  -4.841
  210    HD2  PHE  28           2HD      PHE  28  -6.637   5.808  -1.653
  211    HE1  PHE  28           1HE      PHE  28 -10.625   3.841  -3.754
  212    HE2  PHE  28           2HE      PHE  28  -8.829   6.020  -0.560
  213    HZ   PHE  28           HZ       PHE  28 -10.827   5.036  -1.610
  214    H    VAL  29           H        VAL  29  -2.465   4.558  -2.583
  215    HA   VAL  29           HA       VAL  29  -1.343   2.633  -4.428
  216    HB   VAL  29           HB       VAL  29   0.227   4.291  -5.464
  217   1HG1  VAL  29          1HG1      VAL  29  -1.308   3.758  -7.045
  218   2HG1  VAL  29          2HG1      VAL  29  -1.710   5.466  -6.864
  219   3HG1  VAL  29          3HG1      VAL  29  -2.680   4.240  -6.047
  220   1HG2  VAL  29          1HG2      VAL  29  -0.330   6.031  -3.626
  221   2HG2  VAL  29          2HG2      VAL  29  -1.667   6.482  -4.685
  222   3HG2  VAL  29          3HG2      VAL  29  -0.005   6.590  -5.268
  223    H    CYS  30           H        CYS  30   1.071   2.552  -4.020
  224    HA   CYS  30           HA       CYS  30   1.538   3.033  -1.182
  225   1HB   CYS  30          2HB       CYS  30   2.064   0.825  -2.302
  226   2HB   CYS  30          1HB       CYS  30   3.338   1.654  -3.183
  227    H    VAL  31           H        VAL  31   3.532   4.124  -0.470
  228    HA   VAL  31           HA       VAL  31   4.761   5.833  -2.512
  229    HB   VAL  31           HB       VAL  31   4.638   7.803  -0.966
  230   1HG1  VAL  31          1HG1      VAL  31   3.043   8.368  -2.403
  231   2HG1  VAL  31          2HG1      VAL  31   1.869   7.701  -1.269
  232   3HG1  VAL  31          3HG1      VAL  31   2.514   6.693  -2.566
  233   1HG2  VAL  31          1HG2      VAL  31   2.313   7.021   0.507
  234   2HG2  VAL  31          2HG2      VAL  31   3.856   7.628   1.104
  235   3HG2  VAL  31          3HG2      VAL  31   3.630   5.899   0.844
  Start of MODEL    6
    1   1H    ALA   1          1HT       ALA   1   5.012 -11.655   0.547
    2   2H    ALA   1          2HT       ALA   1   3.381 -11.226   0.657
    3   3H    ALA   1          3HT       ALA   1   4.561 -10.247   1.374
    4    HA   ALA   1           HA       ALA   1   5.425 -10.288  -1.148
    5   1HB   ALA   1          1HB       ALA   1   2.881 -11.380  -1.322
    6   2HB   ALA   1          2HB       ALA   1   3.828 -10.706  -2.648
    7   3HB   ALA   1          3HB       ALA   1   2.662  -9.695  -1.793
    8    H    CYS   2           H        CYS   2   5.806  -8.180  -1.727
    9    HA   CYS   2           HA       CYS   2   4.538  -6.137  -0.019
   10   1HB   CYS   2          2HB       CYS   2   6.551  -4.854  -0.212
   11   2HB   CYS   2          1HB       CYS   2   6.963  -6.472   0.324
   12    H    SER   3           H        SER   3   3.448  -4.554  -0.904
   13    HA   SER   3           HA       SER   3   2.773  -4.625  -3.658
   14   1HB   SER   3          2HB       SER   3   2.189  -2.396  -1.702
   15   2HB   SER   3          1HB       SER   3   1.262  -2.846  -3.135
   16    HG   SER   3           HG       SER   3   0.164  -4.068  -1.827
   17    H    LYS   4           H        LYS   4   3.304  -3.268  -5.310
   18    HA   LYS   4           HA       LYS   4   5.847  -1.974  -5.208
   19   1HB   LYS   4          2HB       LYS   4   4.827  -3.163  -7.190
   20   2HB   LYS   4          1HB       LYS   4   3.742  -1.795  -7.369
   21   1HG   LYS   4          2HG       LYS   4   5.680  -0.332  -7.729
   22   2HG   LYS   4          1HG       LYS   4   6.740  -1.738  -7.603
   23   1HD   LYS   4          2HD       LYS   4   4.534  -1.417  -9.642
   24   2HD   LYS   4          1HD       LYS   4   6.237  -1.088  -9.948
   25   1HE   LYS   4          2HE       LYS   4   5.966  -3.238 -10.783
   26   2HE   LYS   4          1HE       LYS   4   6.619  -3.522  -9.174
   27   1HZ   LYS   4          1HZ       LYS   4   3.712  -3.624  -9.832
   28   2HZ   LYS   4          2HZ       LYS   4   4.441  -4.071  -8.373
   29   3HZ   LYS   4          3HZ       LYS   4   4.725  -4.979  -9.768
   30    H    LYS   5           H        LYS   5   6.307   0.228  -5.210
   31    HA   LYS   5           HA       LYS   5   4.801   1.906  -3.697
   32   1HB   LYS   5          2HB       LYS   5   7.073   2.470  -4.079
   33   2HB   LYS   5          1HB       LYS   5   6.819   2.603  -5.816
   34   1HG   LYS   5          2HG       LYS   5   5.762   4.653  -5.635
   35   2HG   LYS   5          1HG       LYS   5   5.314   4.385  -3.966
   36   1HD   LYS   5          2HD       LYS   5   7.603   4.703  -3.258
   37   2HD   LYS   5          1HD       LYS   5   8.123   4.852  -4.941
   38   1HE   LYS   5          2HE       LYS   5   7.206   6.940  -5.187
   39   2HE   LYS   5          1HE       LYS   5   5.981   6.670  -3.947
   40   1HZ   LYS   5          1HZ       LYS   5   7.665   6.880  -2.245
   41   2HZ   LYS   5          2HZ       LYS   5   7.696   8.252  -3.243
   42   3HZ   LYS   5          3HZ       LYS   5   8.881   7.061  -3.415
   43    H    TRP   6           H        TRP   6   5.033   2.508  -7.196
   44    HA   TRP   6           HA       TRP   6   2.646   4.100  -6.999
   45   1HB   TRP   6          2HB       TRP   6   4.079   3.354  -9.550
   46   2HB   TRP   6          1HB       TRP   6   3.068   4.763  -9.241
   47    HD1  TRP   6           HD       TRP   6   6.579   3.390  -8.502
   48    HE1  TRP   6           1HE      TRP   6   8.119   5.350  -7.880
   49    HE3  TRP   6           3HE      TRP   6   3.086   7.103  -8.206
   50    HZ2  TRP   6           2HZ      TRP   6   7.883   8.103  -7.317
   51    HZ3  TRP   6           3HZ      TRP   6   3.821   9.372  -7.612
   52    HH2  TRP   6           HH       TRP   6   6.172   9.860  -7.170
   53    H    GLU   7           H        GLU   7   2.373   1.392  -6.295
   54    HA   GLU   7           HA       GLU   7   0.433   0.544  -8.365
   55   1HB   GLU   7          2HB       GLU   7   2.602  -0.825  -8.156
   56   2HB   GLU   7          1HB       GLU   7   1.962  -1.366  -6.614
   57   1HG   GLU   7          2HG       GLU   7   0.143  -2.464  -7.651
   58   2HG   GLU   7          1HG       GLU   7   0.486  -1.700  -9.207
   59    H    TYR   8           H        TYR   8  -1.453  -0.487  -7.546
   60    HA   TYR   8           HA       TYR   8  -2.475   0.658  -5.204
   61   1HB   TYR   8          2HB       TYR   8  -3.428  -1.653  -6.893
   62   2HB   TYR   8          1HB       TYR   8  -4.318  -1.092  -5.484
   63    HD1  TYR   8           1HD      TYR   8  -6.187   0.090  -6.093
   64    HD2  TYR   8           2HD      TYR   8  -2.621   0.640  -8.347
   65    HE1  TYR   8           1HE      TYR   8  -7.324   1.779  -7.470
   66    HE2  TYR   8           2HE      TYR   8  -3.747   2.332  -9.728
   67    HH   TYR   8           HH       TYR   8  -6.064   3.978  -9.093
   68    H    CYS   9           H        CYS   9  -2.298   0.127  -3.147
   69    HA   CYS   9           HA       CYS   9  -0.603  -1.890  -2.214
   70   1HB   CYS   9          2HB       CYS   9  -1.139   0.116  -0.912
   71   2HB   CYS   9          1HB       CYS   9  -2.807  -0.416  -0.751
   72    H    ILE  10           H        ILE  10  -4.118  -1.771  -2.510
   73    HA   ILE  10           HA       ILE  10  -5.704  -3.377  -2.675
   74    HB   ILE  10           HB       ILE  10  -3.361  -5.279  -2.817
   75   1HG1  ILE  10          2HG1      ILE  10  -3.471  -3.717  -4.695
   76   2HG1  ILE  10          1HG1      ILE  10  -3.881  -5.345  -5.224
   77   1HG2  ILE  10          1HG2      ILE  10  -4.754  -7.001  -2.713
   78   2HG2  ILE  10          2HG2      ILE  10  -5.741  -6.322  -4.007
   79   3HG2  ILE  10          3HG2      ILE  10  -6.066  -5.886  -2.329
   80   1HD1  ILE  10          1HD1      ILE  10  -5.288  -3.472  -6.148
   81   2HD1  ILE  10          2HD1      ILE  10  -5.962  -3.298  -4.528
   82   3HD1  ILE  10          3HD1      ILE  10  -6.167  -4.811  -5.410
   83    H    VAL  11           H        VAL  11  -7.019  -4.234  -1.184
   84    HA   VAL  11           HA       VAL  11  -5.851  -5.395   1.228
   85    HB   VAL  11           HB       VAL  11  -7.544  -4.192   2.641
   86   1HG1  VAL  11          1HG1      VAL  11  -5.117  -3.141   1.481
   87   2HG1  VAL  11          2HG1      VAL  11  -5.695  -3.071   3.145
   88   3HG1  VAL  11          3HG1      VAL  11  -6.211  -1.851   1.981
   89   1HG2  VAL  11          1HG2      VAL  11  -8.417  -2.031   1.721
   90   2HG2  VAL  11          2HG2      VAL  11  -9.145  -3.473   1.012
   91   3HG2  VAL  11          3HG2      VAL  11  -7.915  -2.577   0.120
   92    HA   PRO  12           HA       PRO  12  -9.001  -8.300  -0.136
   93   1HB   PRO  12          2HB       PRO  12  -7.774 -10.097   1.811
   94   2HB   PRO  12          1HB       PRO  12  -7.848 -10.245   0.054
   95   1HG   PRO  12          2HG       PRO  12  -5.544  -9.736   1.385
   96   2HG   PRO  12          1HG       PRO  12  -5.859  -9.140  -0.255
   97   1HD   PRO  12          2HD       PRO  12  -6.053  -7.691   2.360
   98   2HD   PRO  12          1HD       PRO  12  -5.406  -7.127   0.803
   99    H    ILE  13           H        ILE  13 -10.881  -9.118   0.787
  100    HA   ILE  13           HA       ILE  13 -11.770  -7.882   3.200
  101    HB   ILE  13           HB       ILE  13 -13.172 -10.133   1.754
  102   1HG1  ILE  13          2HG1      ILE  13 -13.325  -7.165   1.163
  103   2HG1  ILE  13          1HG1      ILE  13 -12.514  -8.356   0.151
  104   1HG2  ILE  13          1HG2      ILE  13 -14.747  -7.938   2.850
  105   2HG2  ILE  13          2HG2      ILE  13 -13.806  -8.791   4.074
  106   3HG2  ILE  13          3HG2      ILE  13 -14.938  -9.679   3.054
  107   1HD1  ILE  13          1HD1      ILE  13 -14.462  -8.331  -0.959
  108   2HD1  ILE  13          2HD1      ILE  13 -15.372  -7.742   0.434
  109   3HD1  ILE  13          3HD1      ILE  13 -14.965  -9.454   0.306
  110    H    LEU  14           H        LEU  14  -9.834  -8.893   4.302
  111    HA   LEU  14           HA       LEU  14 -10.664 -10.747   6.226
  112   1HB   LEU  14          2HB       LEU  14  -9.082 -12.612   5.664
  113   2HB   LEU  14          1HB       LEU  14 -10.469 -12.483   4.604
  114    HG   LEU  14           HG       LEU  14  -8.784 -11.110   3.099
  115   1HD1  LEU  14          1HD1      LEU  14  -7.061 -11.638   5.105
  116   2HD1  LEU  14          2HD1      LEU  14  -6.576 -11.381   3.429
  117   3HD1  LEU  14          3HD1      LEU  14  -6.760 -13.021   4.052
  118   1HD2  LEU  14          1HD2      LEU  14  -9.476 -13.933   3.330
  119   2HD2  LEU  14          2HD2      LEU  14  -7.979 -13.642   2.443
  120   3HD2  LEU  14          3HD2      LEU  14  -9.478 -12.874   1.921
  121    H    GLY  15           H        GLY  15  -8.329  -8.850   4.609
  122   1HA   GLY  15          2HA       GLY  15  -7.064  -8.030   6.997
  123   2HA   GLY  15          1HA       GLY  15  -6.041  -9.184   6.149
  124    H    PHE  16           H        PHE  16  -4.449  -7.962   5.294
  125    HA   PHE  16           HA       PHE  16  -5.033  -6.290   3.084
  126   1HB   PHE  16          2HB       PHE  16  -4.064  -4.181   4.003
  127   2HB   PHE  16          1HB       PHE  16  -5.598  -4.625   4.732
  128    HD1  PHE  16           1HD      PHE  16  -1.921  -4.861   5.318
  129    HD2  PHE  16           2HD      PHE  16  -5.816  -4.685   7.023
  130    HE1  PHE  16           1HE      PHE  16  -0.927  -4.681   7.561
  131    HE2  PHE  16           2HE      PHE  16  -4.827  -4.505   9.269
  132    HZ   PHE  16           HZ       PHE  16  -2.380  -4.502   9.540
  133    H    VAL  17           H        VAL  17  -3.108  -5.607   1.962
  134    HA   VAL  17           HA       VAL  17  -0.894  -7.419   2.463
  135    HB   VAL  17           HB       VAL  17  -0.919  -5.409   0.231
  136   1HG1  VAL  17          1HG1      VAL  17   0.895  -6.561  -0.348
  137   2HG1  VAL  17          2HG1      VAL  17  -0.138  -7.960  -0.640
  138   3HG1  VAL  17          3HG1      VAL  17   0.615  -7.734   0.939
  139   1HG2  VAL  17          1HG2      VAL  17  -2.354  -8.053   0.075
  140   2HG2  VAL  17          2HG2      VAL  17  -2.284  -6.785  -1.150
  141   3HG2  VAL  17          3HG2      VAL  17  -3.171  -6.514   0.350
  142    H    TYR  18           H        TYR  18   1.246  -5.944   1.514
  143    HA   TYR  18           HA       TYR  18   1.484  -3.494   3.014
  144   1HB   TYR  18          2HB       TYR  18   3.391  -4.316   4.389
  145   2HB   TYR  18          1HB       TYR  18   1.873  -5.107   4.798
  146    HD1  TYR  18           1HD      TYR  18   5.166  -5.556   3.209
  147    HD2  TYR  18           2HD      TYR  18   1.554  -7.465   4.401
  148    HE1  TYR  18           1HE      TYR  18   6.209  -7.750   2.835
  149    HE2  TYR  18           2HE      TYR  18   2.590  -9.664   4.033
  150    HH   TYR  18           HH       TYR  18   5.465 -10.372   4.004
  151    H    CYS  19           H        CYS  19   3.187  -2.237   2.310
  152    HA   CYS  19           HA       CYS  19   4.277  -2.880  -0.254
  153   1HB   CYS  19          2HB       CYS  19   4.659  -0.638   1.680
  154   2HB   CYS  19          1HB       CYS  19   5.548  -0.693   0.163
  155    H    CYS  20           H        CYS  20   6.645  -2.534  -0.689
  156    HA   CYS  20           HA       CYS  20   8.179  -4.429   0.770
  157   1HB   CYS  20          2HB       CYS  20   9.279  -2.338  -1.101
  158   2HB   CYS  20          1HB       CYS  20   9.950  -3.921  -0.741
  159    HA   PRO  21           HA       PRO  21   9.869  -2.100   4.081
  160   1HB   PRO  21          2HB       PRO  21  12.573  -2.877   3.118
  161   2HB   PRO  21          1HB       PRO  21  11.847  -3.022   4.723
  162   1HG   PRO  21          2HG       PRO  21  12.101  -5.164   3.146
  163   2HG   PRO  21          1HG       PRO  21  10.663  -4.943   4.160
  164   1HD   PRO  21          2HD       PRO  21  10.988  -4.536   1.218
  165   2HD   PRO  21          1HD       PRO  21   9.588  -5.143   2.122
  166    H    GLY  22           H        GLY  22   9.761  -0.042   3.933
  167   1HA   GLY  22          2HA       GLY  22  11.147   1.996   3.694
  168   2HA   GLY  22          1HA       GLY  22  11.559   1.399   2.092
  169    H    LEU  23           H        LEU  23   8.801   0.450   1.588
  170    HA   LEU  23           HA       LEU  23   7.654   3.058   0.904
  171   1HB   LEU  23          2HB       LEU  23   6.952   0.319  -0.154
  172   2HB   LEU  23          1HB       LEU  23   6.404   1.860  -0.789
  173    HG   LEU  23           HG       LEU  23   9.276   0.926  -0.807
  174   1HD1  LEU  23          1HD1      LEU  23   7.588  -0.343  -2.253
  175   2HD1  LEU  23          2HD1      LEU  23   9.020   0.315  -3.044
  176   3HD1  LEU  23          3HD1      LEU  23   7.471   1.145  -3.192
  177   1HD2  LEU  23          1HD2      LEU  23   9.591   3.145  -1.036
  178   2HD2  LEU  23          2HD2      LEU  23   7.917   3.443  -1.504
  179   3HD2  LEU  23          3HD2      LEU  23   9.074   2.846  -2.695
  180    H    ILE  24           H        ILE  24   5.483   3.529   1.356
  181    HA   ILE  24           HA       ILE  24   4.124   1.646   3.173
  182    HB   ILE  24           HB       ILE  24   3.245   3.640   4.436
  183   1HG1  ILE  24          2HG1      ILE  24   5.542   5.055   3.058
  184   2HG1  ILE  24          1HG1      ILE  24   3.837   5.347   2.737
  185   1HG2  ILE  24          1HG2      ILE  24   5.714   2.261   4.652
  186   2HG2  ILE  24          2HG2      ILE  24   4.723   2.954   5.936
  187   3HG2  ILE  24          3HG2      ILE  24   5.972   3.930   5.162
  188   1HD1  ILE  24          1HD1      ILE  24   4.024   6.978   4.237
  189   2HD1  ILE  24          2HD1      ILE  24   5.538   6.338   4.877
  190   3HD1  ILE  24          3HD1      ILE  24   3.998   5.696   5.447
  191    H    CYS  25           H        CYS  25   2.034   1.293   2.772
  192    HA   CYS  25           HA       CYS  25   0.834   2.095   0.381
  193   1HB   CYS  25          2HB       CYS  25  -0.442   1.019   2.904
  194   2HB   CYS  25          1HB       CYS  25  -1.260   1.153   1.352
  195    H    GLY  26           H        GLY  26  -0.620   3.668  -0.174
  196   1HA   GLY  26          2HA       GLY  26  -1.494   5.529   1.928
  197   2HA   GLY  26          1HA       GLY  26  -0.639   6.155   0.527
  198    HA   PRO  27           HA       PRO  27  -4.913   6.782  -0.803
  199   1HB   PRO  27          2HB       PRO  27  -4.258   8.251  -3.003
  200   2HB   PRO  27          1HB       PRO  27  -4.333   8.917  -1.368
  201   1HG   PRO  27          2HG       PRO  27  -1.951   7.995  -2.932
  202   2HG   PRO  27          1HG       PRO  27  -2.139   9.448  -1.933
  203   1HD   PRO  27          2HD       PRO  27  -0.853   7.262  -1.034
  204   2HD   PRO  27          1HD       PRO  27  -1.828   8.286   0.041
  205    H    PHE  28           H        PHE  28  -4.642   4.350  -1.249
  206    HA   PHE  28           HA       PHE  28  -5.075   2.582  -2.579
  207   1HB   PHE  28          2HB       PHE  28  -5.850   4.755  -4.545
  208   2HB   PHE  28          1HB       PHE  28  -5.991   3.040  -4.921
  209    HD1  PHE  28           1HD      PHE  28  -6.858   5.198  -1.983
  210    HD2  PHE  28           2HD      PHE  28  -8.124   2.274  -4.804
  211    HE1  PHE  28           1HE      PHE  28  -9.076   5.140  -0.922
  212    HE2  PHE  28           2HE      PHE  28 -10.344   2.212  -3.748
  213    HZ   PHE  28           HZ       PHE  28 -10.824   3.647  -1.805
  214    H    VAL  29           H        VAL  29  -2.437   3.970  -2.495
  215    HA   VAL  29           HA       VAL  29  -1.126   2.328  -4.495
  216    HB   VAL  29           HB       VAL  29   0.379   4.183  -5.257
  217   1HG1  VAL  29          1HG1      VAL  29  -2.386   5.027  -5.991
  218   2HG1  VAL  29          2HG1      VAL  29  -1.809   3.422  -6.440
  219   3HG1  VAL  29          3HG1      VAL  29  -0.949   4.856  -7.001
  220   1HG2  VAL  29          1HG2      VAL  29   0.200   6.329  -4.582
  221   2HG2  VAL  29          2HG2      VAL  29  -0.586   5.609  -3.176
  222   3HG2  VAL  29          3HG2      VAL  29  -1.560   6.270  -4.489
  223    H    CYS  30           H        CYS  30   1.389   3.631  -4.030
  224    HA   CYS  30           HA       CYS  30   1.771   3.392  -1.144
  225   1HB   CYS  30          2HB       CYS  30   2.209   1.178  -2.379
  226   2HB   CYS  30          1HB       CYS  30   3.572   1.998  -3.124
  227    H    VAL  31           H        VAL  31   3.795   4.413  -0.447
  228    HA   VAL  31           HA       VAL  31   5.097   6.057  -2.494
  229    HB   VAL  31           HB       VAL  31   5.069   8.030  -0.945
  230   1HG1  VAL  31          1HG1      VAL  31   3.218   8.879  -1.927
  231   2HG1  VAL  31          2HG1      VAL  31   2.208   7.510  -1.459
  232   3HG1  VAL  31          3HG1      VAL  31   3.296   7.373  -2.841
  233   1HG2  VAL  31          1HG2      VAL  31   3.840   6.144   0.809
  234   2HG2  VAL  31          2HG2      VAL  31   2.727   7.483   0.530
  235   3HG2  VAL  31          3HG2      VAL  31   4.351   7.800   1.141
  Start of MODEL    7
    1   1H    ALA   1          1HT       ALA   1   2.223 -10.728   0.357
    2   2H    ALA   1          2HT       ALA   1   1.692 -11.023  -1.221
    3   3H    ALA   1          3HT       ALA   1   1.415  -9.514  -0.503
    4    HA   ALA   1           HA       ALA   1   4.189 -10.326  -0.603
    5   1HB   ALA   1          1HB       ALA   1   4.410  -9.659  -2.983
    6   2HB   ALA   1          2HB       ALA   1   2.651  -9.667  -3.114
    7   3HB   ALA   1          3HB       ALA   1   3.516 -11.164  -2.763
    8    H    CYS   2           H        CYS   2   5.431  -8.312  -1.372
    9    HA   CYS   2           HA       CYS   2   4.199  -6.032  -0.037
   10   1HB   CYS   2          2HB       CYS   2   6.374  -5.019  -0.086
   11   2HB   CYS   2          1HB       CYS   2   6.539  -6.666   0.487
   12    H    SER   3           H        SER   3   3.280  -4.424  -1.038
   13    HA   SER   3           HA       SER   3   3.008  -4.458  -3.873
   14   1HB   SER   3          2HB       SER   3   1.665  -2.323  -3.373
   15   2HB   SER   3          1HB       SER   3   1.078  -3.837  -2.684
   16    HG   SER   3           HG       SER   3   2.327  -1.663  -1.422
   17    H    LYS   4           H        LYS   4   3.727  -3.058  -5.378
   18    HA   LYS   4           HA       LYS   4   6.196  -1.686  -4.831
   19   1HB   LYS   4          2HB       LYS   4   4.577  -2.370  -7.212
   20   2HB   LYS   4          1HB       LYS   4   5.541  -0.908  -7.348
   21   1HG   LYS   4          2HG       LYS   4   6.613  -3.003  -8.209
   22   2HG   LYS   4          1HG       LYS   4   7.561  -2.092  -7.039
   23   1HD   LYS   4          2HD       LYS   4   7.684  -4.508  -6.638
   24   2HD   LYS   4          1HD       LYS   4   6.944  -3.658  -5.284
   25   1HE   LYS   4          2HE       LYS   4   5.822  -5.795  -5.876
   26   2HE   LYS   4          1HE       LYS   4   4.761  -4.391  -5.929
   27   1HZ   LYS   4          1HZ       LYS   4   5.269  -6.239  -7.953
   28   2HZ   LYS   4          2HZ       LYS   4   5.880  -4.752  -8.470
   29   3HZ   LYS   4          3HZ       LYS   4   4.253  -4.883  -8.007
   30    H    LYS   5           H        LYS   5   6.540   0.618  -5.275
   31    HA   LYS   5           HA       LYS   5   4.911   2.244  -3.821
   32   1HB   LYS   5          2HB       LYS   5   7.108   3.000  -4.318
   33   2HB   LYS   5          1HB       LYS   5   6.786   3.000  -6.048
   34   1HG   LYS   5          2HG       LYS   5   5.611   4.959  -5.969
   35   2HG   LYS   5          1HG       LYS   5   5.091   4.704  -4.318
   36   1HD   LYS   5          2HD       LYS   5   7.324   5.248  -3.515
   37   2HD   LYS   5          1HD       LYS   5   7.875   5.461  -5.180
   38   1HE   LYS   5          2HE       LYS   5   6.705   7.421  -5.462
   39   2HE   LYS   5          1HE       LYS   5   5.510   7.011  -4.234
   40   1HZ   LYS   5          1HZ       LYS   5   8.319   7.847  -3.744
   41   2HZ   LYS   5          2HZ       LYS   5   7.238   7.349  -2.533
   42   3HZ   LYS   5          3HZ       LYS   5   6.927   8.756  -3.428
   43    H    TRP   6           H        TRP   6   5.018   2.690  -7.349
   44    HA   TRP   6           HA       TRP   6   2.453   3.976  -7.182
   45   1HB   TRP   6          2HB       TRP   6   3.889   3.266  -9.738
   46   2HB   TRP   6          1HB       TRP   6   2.764   4.589  -9.444
   47    HD1  TRP   6           HD       TRP   6   6.408   3.572  -8.800
   48    HE1  TRP   6           1HE      TRP   6   7.782   5.684  -8.301
   49    HE3  TRP   6           3HE      TRP   6   2.603   6.964  -8.489
   50    HZ2  TRP   6           2HZ      TRP   6   7.318   8.420  -7.820
   51    HZ3  TRP   6           3HZ      TRP   6   3.150   9.310  -7.997
   52    HH2  TRP   6           HH       TRP   6   5.462  10.021  -7.663
   53    H    GLU   7           H        GLU   7   2.607   1.228  -6.391
   54    HA   GLU   7           HA       GLU   7   0.894  -0.035  -8.445
   55   1HB   GLU   7          2HB       GLU   7   3.052  -1.165  -7.655
   56   2HB   GLU   7          1HB       GLU   7   2.229  -1.421  -6.127
   57   1HG   GLU   7          2HG       GLU   7   0.566  -2.791  -7.201
   58   2HG   GLU   7          1HG       GLU   7   1.267  -2.448  -8.785
   59    H    TYR   8           H        TYR   8  -1.121  -0.781  -7.849
   60    HA   TYR   8           HA       TYR   8  -2.515   0.617  -5.874
   61   1HB   TYR   8          2HB       TYR   8  -3.686  -0.293  -7.771
   62   2HB   TYR   8          1HB       TYR   8  -3.183  -1.929  -7.370
   63    HD1  TYR   8           1HD      TYR   8  -4.841  -3.276  -6.534
   64    HD2  TYR   8           2HD      TYR   8  -4.966   0.882  -5.648
   65    HE1  TYR   8           1HE      TYR   8  -6.926  -3.612  -5.277
   66    HE2  TYR   8           2HE      TYR   8  -7.049   0.556  -4.386
   67    HH   TYR   8           HH       TYR   8  -8.993  -1.256  -4.477
   68    H    CYS   9           H        CYS   9  -2.987   0.245  -3.792
   69    HA   CYS   9           HA       CYS   9  -2.573  -2.370  -2.614
   70   1HB   CYS   9          2HB       CYS   9  -1.046  -1.565  -0.881
   71   2HB   CYS   9          1HB       CYS   9  -0.337  -1.343  -2.476
   72    H    ILE  10           H        ILE  10  -3.390  -2.496  -0.430
   73    HA   ILE  10           HA       ILE  10  -5.009  -0.282   0.518
   74    HB   ILE  10           HB       ILE  10  -6.879  -2.087   0.958
   75   1HG1  ILE  10          2HG1      ILE  10  -7.091  -3.448  -1.250
   76   2HG1  ILE  10          1HG1      ILE  10  -5.354  -3.210  -1.377
   77   1HG2  ILE  10          1HG2      ILE  10  -7.533  -0.182  -0.154
   78   2HG2  ILE  10          2HG2      ILE  10  -7.850  -1.435  -1.355
   79   3HG2  ILE  10          3HG2      ILE  10  -6.400  -0.438  -1.481
   80   1HD1  ILE  10          1HD1      ILE  10  -5.512  -5.265  -0.356
   81   2HD1  ILE  10          2HD1      ILE  10  -6.907  -4.794   0.614
   82   3HD1  ILE  10          3HD1      ILE  10  -5.303  -4.185   1.021
   83    H    VAL  11           H        VAL  11  -5.375  -0.354   2.743
   84    HA   VAL  11           HA       VAL  11  -3.469  -1.896   4.194
   85    HB   VAL  11           HB       VAL  11  -4.085  -0.672   6.135
   86   1HG1  VAL  11          1HG1      VAL  11  -3.935   1.591   5.430
   87   2HG1  VAL  11          2HG1      VAL  11  -4.647   1.222   3.859
   88   3HG1  VAL  11          3HG1      VAL  11  -3.041   0.616   4.262
   89   1HG2  VAL  11          1HG2      VAL  11  -6.749  -0.616   4.897
   90   2HG2  VAL  11          2HG2      VAL  11  -6.273   0.908   5.647
   91   3HG2  VAL  11          3HG2      VAL  11  -6.285  -0.577   6.599
   92    HA   PRO  12           HA       PRO  12  -6.029  -5.491   4.701
   93   1HB   PRO  12          2HB       PRO  12  -4.404  -6.816   6.438
   94   2HB   PRO  12          1HB       PRO  12  -4.103  -6.711   4.700
   95   1HG   PRO  12          2HG       PRO  12  -2.904  -5.123   6.931
   96   2HG   PRO  12          1HG       PRO  12  -2.119  -5.811   5.497
   97   1HD   PRO  12          2HD       PRO  12  -2.790  -3.195   5.681
   98   2HD   PRO  12          1HD       PRO  12  -2.795  -4.078   4.141
   99    H    ILE  13           H        ILE  13  -7.171  -3.494   6.074
  100    HA   ILE  13           HA       ILE  13  -8.451  -2.924   7.851
  101    HB   ILE  13           HB       ILE  13  -8.452  -5.879   8.450
  102   1HG1  ILE  13          2HG1      ILE  13  -9.043  -5.459   6.106
  103   2HG1  ILE  13          1HG1      ILE  13 -10.451  -5.986   7.020
  104   1HG2  ILE  13          1HG2      ILE  13 -10.150  -5.542   9.890
  105   2HG2  ILE  13          2HG2      ILE  13 -10.860  -4.256   8.914
  106   3HG2  ILE  13          3HG2      ILE  13  -9.497  -3.905   9.978
  107   1HD1  ILE  13          1HD1      ILE  13 -11.481  -3.947   6.865
  108   2HD1  ILE  13          2HD1      ILE  13 -10.609  -4.000   5.333
  109   3HD1  ILE  13          3HD1      ILE  13  -9.961  -3.070   6.684
  110    H    LEU  14           H        LEU  14  -7.107  -5.660   9.604
  111    HA   LEU  14           HA       LEU  14  -6.546  -4.085  11.895
  112   1HB   LEU  14          2HB       LEU  14  -5.361  -6.191  12.678
  113   2HB   LEU  14          1HB       LEU  14  -7.069  -6.332  12.320
  114    HG   LEU  14           HG       LEU  14  -6.284  -7.199  10.003
  115   1HD1  LEU  14          1HD1      LEU  14  -4.146  -8.255   9.923
  116   2HD1  LEU  14          2HD1      LEU  14  -3.814  -7.833  11.603
  117   3HD1  LEU  14          3HD1      LEU  14  -3.902  -6.569  10.376
  118   1HD2  LEU  14          1HD2      LEU  14  -5.557  -9.317  11.803
  119   2HD2  LEU  14          2HD2      LEU  14  -7.003  -9.133  10.813
  120   3HD2  LEU  14          3HD2      LEU  14  -6.941  -8.421  12.425
  121    H    GLY  15           H        GLY  15  -4.980  -4.494   9.008
  122   1HA   GLY  15          2HA       GLY  15  -2.464  -3.445  10.151
  123   2HA   GLY  15          1HA       GLY  15  -2.461  -4.633   8.850
  124    H    PHE  16           H        PHE  16  -1.289  -2.036   8.680
  125    HA   PHE  16           HA       PHE  16  -3.056  -0.864   6.645
  126   1HB   PHE  16          2HB       PHE  16  -1.320   0.498   8.657
  127   2HB   PHE  16          1HB       PHE  16  -1.759   1.312   7.170
  128    HD1  PHE  16           1HD      PHE  16  -3.513  -0.709   9.792
  129    HD2  PHE  16           2HD      PHE  16  -3.474   2.797   7.381
  130    HE1  PHE  16           1HE      PHE  16  -5.628   0.016  10.819
  131    HE2  PHE  16           2HE      PHE  16  -5.589   3.527   8.403
  132    HZ   PHE  16           HZ       PHE  16  -6.669   2.137  10.123
  133    H    VAL  17           H        VAL  17   0.217  -1.764   7.512
  134    HA   VAL  17           HA       VAL  17   1.370  -0.728   5.097
  135    HB   VAL  17           HB       VAL  17   2.756  -2.937   6.487
  136   1HG1  VAL  17          1HG1      VAL  17   4.214  -0.475   6.208
  137   2HG1  VAL  17          2HG1      VAL  17   3.430  -0.927   4.695
  138   3HG1  VAL  17          3HG1      VAL  17   4.523  -2.058   5.494
  139   1HG2  VAL  17          1HG2      VAL  17   2.560  -2.128   8.555
  140   2HG2  VAL  17          2HG2      VAL  17   1.663  -0.726   7.973
  141   3HG2  VAL  17          3HG2      VAL  17   3.426  -0.690   8.016
  142    H    TYR  18           H        TYR  18   2.687  -2.391   3.768
  143    HA   TYR  18           HA       TYR  18   1.890  -5.020   3.374
  144   1HB   TYR  18          2HB       TYR  18  -0.295  -3.821   2.731
  145   2HB   TYR  18          1HB       TYR  18   0.574  -3.238   1.315
  146    HD1  TYR  18           1HD      TYR  18   0.441  -6.547   3.046
  147    HD2  TYR  18           2HD      TYR  18  -0.131  -4.381  -0.572
  148    HE1  TYR  18           1HE      TYR  18  -0.063  -8.649   1.877
  149    HE2  TYR  18           2HE      TYR  18  -0.641  -6.480  -1.751
  150    HH   TYR  18           HH       TYR  18  -1.527  -8.825  -1.063
  151    H    CYS  19           H        CYS  19   2.940  -2.008   1.993
  152    HA   CYS  19           HA       CYS  19   4.276  -2.863  -0.299
  153   1HB   CYS  19          2HB       CYS  19   4.894  -0.609   1.581
  154   2HB   CYS  19          1HB       CYS  19   5.564  -0.748  -0.038
  155    H    CYS  20           H        CYS  20   6.622  -2.834  -0.669
  156    HA   CYS  20           HA       CYS  20   7.983  -4.673   1.003
  157   1HB   CYS  20          2HB       CYS  20   9.339  -2.794  -0.928
  158   2HB   CYS  20          1HB       CYS  20   9.832  -4.415  -0.466
  159    HA   PRO  21           HA       PRO  21   9.596  -2.136   4.215
  160   1HB   PRO  21          2HB       PRO  21  12.296  -3.173   3.527
  161   2HB   PRO  21          1HB       PRO  21  11.457  -3.108   5.083
  162   1HG   PRO  21          2HG       PRO  21  11.661  -5.410   3.740
  163   2HG   PRO  21          1HG       PRO  21  10.178  -4.995   4.622
  164   1HD   PRO  21          2HD       PRO  21  10.726  -4.910   1.686
  165   2HD   PRO  21          1HD       PRO  21   9.228  -5.327   2.537
  166    H    GLY  22           H        GLY  22   9.619  -0.100   3.853
  167   1HA   GLY  22          2HA       GLY  22  11.294   1.756   3.523
  168   2HA   GLY  22          1HA       GLY  22  11.547   1.040   1.939
  169    H    LEU  23           H        LEU  23   8.756   0.413   1.461
  170    HA   LEU  23           HA       LEU  23   7.832   3.132   0.857
  171   1HB   LEU  23          2HB       LEU  23   7.007   0.477  -0.321
  172   2HB   LEU  23          1HB       LEU  23   6.440   2.049  -0.850
  173    HG   LEU  23           HG       LEU  23   9.319   1.154  -0.990
  174   1HD1  LEU  23          1HD1      LEU  23   7.119   1.105  -3.039
  175   2HD1  LEU  23          2HD1      LEU  23   8.129  -0.232  -2.489
  176   3HD1  LEU  23          3HD1      LEU  23   8.831   1.061  -3.462
  177   1HD2  LEU  23          1HD2      LEU  23   9.772   3.125  -2.116
  178   2HD2  LEU  23          2HD2      LEU  23   8.640   3.654  -0.872
  179   3HD2  LEU  23          3HD2      LEU  23   8.080   3.402  -2.526
  180    H    ILE  24           H        ILE  24   5.646   3.732   1.242
  181    HA   ILE  24           HA       ILE  24   4.216   1.943   3.107
  182    HB   ILE  24           HB       ILE  24   3.331   4.011   4.232
  183   1HG1  ILE  24          2HG1      ILE  24   5.658   5.326   2.804
  184   2HG1  ILE  24          1HG1      ILE  24   3.957   5.615   2.451
  185   1HG2  ILE  24          1HG2      ILE  24   5.235   4.230   5.697
  186   2HG2  ILE  24          2HG2      ILE  24   6.306   3.581   4.457
  187   3HG2  ILE  24          3HG2      ILE  24   5.078   2.549   5.188
  188   1HD1  ILE  24          1HD1      ILE  24   4.764   6.028   5.249
  189   2HD1  ILE  24          2HD1      ILE  24   3.690   6.976   4.218
  190   3HD1  ILE  24          3HD1      ILE  24   5.439   7.155   4.073
  191    H    CYS  25           H        CYS  25   2.149   1.553   2.667
  192    HA   CYS  25           HA       CYS  25   1.012   2.442   0.220
  193   1HB   CYS  25          2HB       CYS  25   0.563   0.217   1.252
  194   2HB   CYS  25          1HB       CYS  25  -0.356   1.023   2.518
  195    H    GLY  26           H        GLY  26  -0.622   3.901  -0.184
  196   1HA   GLY  26          2HA       GLY  26  -1.654   5.437   2.105
  197   2HA   GLY  26          1HA       GLY  26  -0.883   6.280   0.771
  198    HA   PRO  27           HA       PRO  27  -5.097   6.619  -0.689
  199   1HB   PRO  27          2HB       PRO  27  -4.544   8.038  -2.932
  200   2HB   PRO  27          1HB       PRO  27  -4.552   8.754  -1.317
  201   1HG   PRO  27          2HG       PRO  27  -2.233   7.818  -2.962
  202   2HG   PRO  27          1HG       PRO  27  -2.393   9.294  -1.992
  203   1HD   PRO  27          2HD       PRO  27  -1.053   7.110  -1.116
  204   2HD   PRO  27          1HD       PRO  27  -1.925   8.201  -0.021
  205    H    PHE  28           H        PHE  28  -4.519   4.160  -1.038
  206    HA   PHE  28           HA       PHE  28  -4.884   2.309  -2.268
  207   1HB   PHE  28          2HB       PHE  28  -6.024   4.298  -4.257
  208   2HB   PHE  28          1HB       PHE  28  -6.018   2.560  -4.542
  209    HD1  PHE  28           1HD      PHE  28  -8.112   1.700  -4.306
  210    HD2  PHE  28           2HD      PHE  28  -6.813   4.674  -1.552
  211    HE1  PHE  28           1HE      PHE  28 -10.231   1.484  -3.078
  212    HE2  PHE  28           2HE      PHE  28  -8.930   4.461  -0.318
  213    HZ   PHE  28           HZ       PHE  28 -10.642   2.864  -1.081
  214    H    VAL  29           H        VAL  29  -2.440   4.113  -2.532
  215    HA   VAL  29           HA       VAL  29  -1.057   2.413  -4.418
  216    HB   VAL  29           HB       VAL  29   0.139   4.320  -5.520
  217   1HG1  VAL  29          1HG1      VAL  29  -2.080   5.116  -6.805
  218   2HG1  VAL  29          2HG1      VAL  29  -2.706   3.683  -5.989
  219   3HG1  VAL  29          3HG1      VAL  29  -1.313   3.548  -7.062
  220   1HG2  VAL  29          1HG2      VAL  29  -0.899   6.556  -5.488
  221   2HG2  VAL  29          2HG2      VAL  29  -0.309   6.066  -3.898
  222   3HG2  VAL  29          3HG2      VAL  29  -2.034   5.999  -4.258
  223    H    CYS  30           H        CYS  30   1.253   2.549  -4.025
  224    HA   CYS  30           HA       CYS  30   1.785   3.236  -1.255
  225   1HB   CYS  30          2HB       CYS  30   2.445   1.052  -2.504
  226   2HB   CYS  30          1HB       CYS  30   3.755   2.019  -3.166
  227    H    VAL  31           H        VAL  31   3.785   4.403  -0.673
  228    HA   VAL  31           HA       VAL  31   4.846   6.150  -2.764
  229    HB   VAL  31           HB       VAL  31   4.671   8.141  -1.244
  230   1HG1  VAL  31          1HG1      VAL  31   2.552   6.912  -2.778
  231   2HG1  VAL  31          2HG1      VAL  31   3.051   8.602  -2.695
  232   3HG1  VAL  31          3HG1      VAL  31   1.914   7.959  -1.510
  233   1HG2  VAL  31          1HG2      VAL  31   2.597   7.812   0.387
  234   2HG2  VAL  31          2HG2      VAL  31   4.257   7.512   0.900
  235   3HG2  VAL  31          3HG2      VAL  31   3.223   6.165   0.424
  Start of MODEL    8
    1   1H    ALA   1          1HT       ALA   1   4.965 -11.663   0.916
    2   2H    ALA   1          2HT       ALA   1   5.360 -10.141   1.545
    3   3H    ALA   1          3HT       ALA   1   6.536 -11.061   0.748
    4    HA   ALA   1           HA       ALA   1   5.946 -10.339  -1.243
    5   1HB   ALA   1          1HB       ALA   1   3.670 -11.718  -0.545
    6   2HB   ALA   1          2HB       ALA   1   4.004 -11.017  -2.128
    7   3HB   ALA   1          3HB       ALA   1   3.053 -10.116  -0.948
    8    H    CYS   2           H        CYS   2   5.847  -8.276  -2.082
    9    HA   CYS   2           HA       CYS   2   4.555  -6.201  -0.447
   10   1HB   CYS   2          2HB       CYS   2   6.526  -4.783  -0.624
   11   2HB   CYS   2          1HB       CYS   2   6.902  -6.272   0.228
   12    H    SER   3           H        SER   3   3.563  -4.674  -1.583
   13    HA   SER   3           HA       SER   3   3.371  -4.986  -4.436
   14   1HB   SER   3          2HB       SER   3   2.072  -2.933  -2.626
   15   2HB   SER   3          1HB       SER   3   1.602  -3.317  -4.283
   16    HG   SER   3           HG       SER   3   0.668  -5.111  -3.622
   17    H    LYS   4           H        LYS   4   3.849  -3.412  -5.988
   18    HA   LYS   4           HA       LYS   4   6.231  -1.941  -5.581
   19   1HB   LYS   4          2HB       LYS   4   4.195  -1.858  -7.818
   20   2HB   LYS   4          1HB       LYS   4   5.739  -1.019  -7.861
   21   1HG   LYS   4          2HG       LYS   4   6.945  -2.961  -8.104
   22   2HG   LYS   4          1HG       LYS   4   5.697  -3.956  -7.351
   23   1HD   LYS   4          2HD       LYS   4   5.841  -4.379  -9.755
   24   2HD   LYS   4          1HD       LYS   4   4.280  -3.684  -9.320
   25   1HE   LYS   4          2HE       LYS   4   5.561  -1.428  -9.893
   26   2HE   LYS   4          1HE       LYS   4   6.514  -2.522 -10.896
   27   1HZ   LYS   4          1HZ       LYS   4   3.589  -2.022 -11.020
   28   2HZ   LYS   4          2HZ       LYS   4   4.337  -3.310 -11.829
   29   3HZ   LYS   4          3HZ       LYS   4   4.745  -1.718 -12.225
   30    H    LYS   5           H        LYS   5   6.526   0.352  -5.585
   31    HA   LYS   5           HA       LYS   5   4.907   1.735  -3.858
   32   1HB   LYS   5          2HB       LYS   5   7.091   2.566  -4.168
   33   2HB   LYS   5          1HB       LYS   5   6.861   2.748  -5.903
   34   1HG   LYS   5          2HG       LYS   5   5.612   4.683  -5.665
   35   2HG   LYS   5          1HG       LYS   5   5.159   4.305  -4.020
   36   1HD   LYS   5          2HD       LYS   5   7.376   4.821  -3.235
   37   2HD   LYS   5          1HD       LYS   5   7.940   5.049  -4.894
   38   1HE   LYS   5          2HE       LYS   5   6.843   7.053  -5.140
   39   2HE   LYS   5          1HE       LYS   5   5.622   6.658  -3.930
   40   1HZ   LYS   5          1HZ       LYS   5   7.225   8.376  -3.206
   41   2HZ   LYS   5          2HZ       LYS   5   8.466   7.234  -3.295
   42   3HZ   LYS   5          3HZ       LYS   5   7.201   7.021  -2.186
   43    H    TRP   6           H        TRP   6   5.028   2.517  -7.326
   44    HA   TRP   6           HA       TRP   6   2.567   3.961  -7.021
   45   1HB   TRP   6          2HB       TRP   6   3.980   3.349  -9.618
   46   2HB   TRP   6          1HB       TRP   6   2.881   4.679  -9.269
   47    HD1  TRP   6           HD       TRP   6   6.484   3.531  -8.586
   48    HE1  TRP   6           1HE      TRP   6   7.897   5.575  -7.936
   49    HE3  TRP   6           3HE      TRP   6   2.759   7.001  -8.200
   50    HZ2  TRP   6           2HZ      TRP   6   7.485   8.296  -7.317
   51    HZ3  TRP   6           3HZ      TRP   6   3.349   9.301  -7.564
   52    HH2  TRP   6           HH       TRP   6   5.665   9.932  -7.126
   53    H    GLU   7           H        GLU   7   2.586   1.074  -6.509
   54    HA   GLU   7           HA       GLU   7   0.851   0.088  -8.669
   55   1HB   GLU   7          2HB       GLU   7   2.741  -1.216  -7.199
   56   2HB   GLU   7          1HB       GLU   7   1.287  -1.606  -6.292
   57   1HG   GLU   7          2HG       GLU   7   1.583  -3.357  -7.826
   58   2HG   GLU   7          1HG       GLU   7   0.276  -2.368  -8.473
   59    H    TYR   8           H        TYR   8  -1.306  -0.241  -8.391
   60    HA   TYR   8           HA       TYR   8  -2.658   1.244  -6.407
   61   1HB   TYR   8          2HB       TYR   8  -3.668   0.812  -8.589
   62   2HB   TYR   8          1HB       TYR   8  -3.653  -0.920  -8.288
   63    HD1  TYR   8           1HD      TYR   8  -5.698  -1.840  -7.801
   64    HD2  TYR   8           2HD      TYR   8  -4.918   2.150  -6.549
   65    HE1  TYR   8           1HE      TYR   8  -7.964  -1.699  -6.858
   66    HE2  TYR   8           2HE      TYR   8  -7.180   2.299  -5.598
   67    HH   TYR   8           HH       TYR   8  -9.072  -0.256  -4.935
   68    H    CYS   9           H        CYS   9  -3.325   0.715  -4.429
   69    HA   CYS   9           HA       CYS   9  -2.475  -1.738  -3.241
   70   1HB   CYS   9          2HB       CYS   9  -4.193   0.493  -2.148
   71   2HB   CYS   9          1HB       CYS   9  -3.587  -0.857  -1.197
   72    H    ILE  10           H        ILE  10  -3.878  -2.883  -5.014
   73    HA   ILE  10           HA       ILE  10  -6.675  -3.162  -4.355
   74    HB   ILE  10           HB       ILE  10  -5.936  -3.332  -6.682
   75   1HG1  ILE  10          2HG1      ILE  10  -7.031  -5.968  -5.675
   76   2HG1  ILE  10          1HG1      ILE  10  -7.983  -4.518  -5.976
   77   1HG2  ILE  10          1HG2      ILE  10  -4.176  -5.453  -5.599
   78   2HG2  ILE  10          2HG2      ILE  10  -3.873  -4.250  -6.853
   79   3HG2  ILE  10          3HG2      ILE  10  -4.833  -5.684  -7.220
   80   1HD1  ILE  10          1HD1      ILE  10  -8.165  -6.155  -7.785
   81   2HD1  ILE  10          2HD1      ILE  10  -6.427  -6.033  -8.057
   82   3HD1  ILE  10          3HD1      ILE  10  -7.462  -4.633  -8.335
   83    H    VAL  11           H        VAL  11  -5.481  -3.601  -2.097
   84    HA   VAL  11           HA       VAL  11  -4.765  -6.342  -1.644
   85    HB   VAL  11           HB       VAL  11  -4.603  -5.697   0.726
   86   1HG1  VAL  11          1HG1      VAL  11  -3.168  -4.441  -1.467
   87   2HG1  VAL  11          2HG1      VAL  11  -2.553  -5.184   0.009
   88   3HG1  VAL  11          3HG1      VAL  11  -3.085  -3.503   0.023
   89   1HG2  VAL  11          1HG2      VAL  11  -5.106  -3.530   1.529
   90   2HG2  VAL  11          2HG2      VAL  11  -6.516  -4.033   0.595
   91   3HG2  VAL  11          3HG2      VAL  11  -5.355  -2.902  -0.101
   92    HA   PRO  12           HA       PRO  12  -8.854  -7.912  -1.015
   93   1HB   PRO  12          2HB       PRO  12  -7.556  -9.993   0.618
   94   2HB   PRO  12          1HB       PRO  12  -8.485 -10.158  -0.874
   95   1HG   PRO  12          2HG       PRO  12  -5.824 -10.515  -0.823
   96   2HG   PRO  12          1HG       PRO  12  -6.645  -9.788  -2.217
   97   1HD   PRO  12          2HD       PRO  12  -5.099  -8.462  -0.022
   98   2HD   PRO  12          1HD       PRO  12  -5.111  -8.110  -1.764
   99    H    ILE  13           H        ILE  13 -10.374  -7.529   0.494
  100    HA   ILE  13           HA       ILE  13  -9.855  -6.130   2.826
  101    HB   ILE  13           HB       ILE  13 -12.032  -6.046   1.799
  102   1HG1  ILE  13          2HG1      ILE  13 -12.248  -7.289   4.551
  103   2HG1  ILE  13          1HG1      ILE  13 -11.878  -5.599   4.227
  104   1HG2  ILE  13          1HG2      ILE  13 -12.012  -8.468   1.088
  105   2HG2  ILE  13          2HG2      ILE  13 -13.558  -7.842   1.662
  106   3HG2  ILE  13          3HG2      ILE  13 -12.574  -8.858   2.715
  107   1HD1  ILE  13          1HD1      ILE  13 -14.290  -6.292   4.846
  108   2HD1  ILE  13          2HD1      ILE  13 -14.389  -6.806   3.161
  109   3HD1  ILE  13          3HD1      ILE  13 -14.028  -5.124   3.551
  110    H    LEU  14           H        LEU  14 -10.229  -9.614   2.380
  111    HA   LEU  14           HA       LEU  14  -9.786 -10.018   5.243
  112   1HB   LEU  14          2HB       LEU  14 -10.513 -12.283   4.935
  113   2HB   LEU  14          1HB       LEU  14 -11.677 -11.211   4.188
  114    HG   LEU  14           HG       LEU  14  -9.548 -12.626   2.587
  115   1HD1  LEU  14          1HD1      LEU  14 -10.747 -14.522   2.466
  116   2HD1  LEU  14          2HD1      LEU  14 -12.293 -13.674   2.523
  117   3HD1  LEU  14          3HD1      LEU  14 -11.401 -13.983   4.013
  118   1HD2  LEU  14          1HD2      LEU  14 -11.453 -10.654   1.957
  119   2HD2  LEU  14          2HD2      LEU  14 -12.046 -12.162   1.261
  120   3HD2  LEU  14          3HD2      LEU  14 -10.438 -11.572   0.845
  121    H    GLY  15           H        GLY  15  -7.649  -9.133   3.426
  122   1HA   GLY  15          2HA       GLY  15  -5.548 -10.695   4.391
  123   2HA   GLY  15          1HA       GLY  15  -5.946 -11.311   2.794
  124    H    PHE  16           H        PHE  16  -5.677  -8.081   4.264
  125    HA   PHE  16           HA       PHE  16  -4.766  -6.850   1.918
  126   1HB   PHE  16          2HB       PHE  16  -4.083  -4.970   3.452
  127   2HB   PHE  16          1HB       PHE  16  -5.762  -5.477   3.585
  128    HD1  PHE  16           1HD      PHE  16  -2.438  -5.749   5.208
  129    HD2  PHE  16           2HD      PHE  16  -6.651  -6.175   5.630
  130    HE1  PHE  16           1HE      PHE  16  -2.161  -6.033   7.635
  131    HE2  PHE  16           2HE      PHE  16  -6.382  -6.458   8.058
  132    HZ   PHE  16           HZ       PHE  16  -4.135  -6.387   9.064
  133    H    VAL  17           H        VAL  17  -2.807  -6.397   1.109
  134    HA   VAL  17           HA       VAL  17  -0.576  -7.962   2.103
  135    HB   VAL  17           HB       VAL  17  -0.348  -6.152  -0.271
  136   1HG1  VAL  17          1HG1      VAL  17   1.121  -8.338   0.855
  137   2HG1  VAL  17          2HG1      VAL  17   1.554  -7.277  -0.486
  138   3HG1  VAL  17          3HG1      VAL  17   0.619  -8.742  -0.786
  139   1HG2  VAL  17          1HG2      VAL  17  -1.231  -8.539  -1.346
  140   2HG2  VAL  17          2HG2      VAL  17  -2.147  -7.034  -1.253
  141   3HG2  VAL  17          3HG2      VAL  17  -2.329  -8.257   0.004
  142    H    TYR  18           H        TYR  18   1.588  -6.463   1.396
  143    HA   TYR  18           HA       TYR  18   1.414  -3.865   2.675
  144   1HB   TYR  18          2HB       TYR  18   3.209  -4.407   4.300
  145   2HB   TYR  18          1HB       TYR  18   1.756  -5.358   4.584
  146    HD1  TYR  18           1HD      TYR  18   5.253  -5.465   3.467
  147    HD2  TYR  18           2HD      TYR  18   1.743  -7.758   4.201
  148    HE1  TYR  18           1HE      TYR  18   6.577  -7.530   3.316
  149    HE2  TYR  18           2HE      TYR  18   3.059  -9.828   4.058
  150    HH   TYR  18           HH       TYR  18   6.034 -10.164   4.432
  151    H    CYS  19           H        CYS  19   3.159  -2.508   2.153
  152    HA   CYS  19           HA       CYS  19   4.536  -3.186  -0.273
  153   1HB   CYS  19          2HB       CYS  19   4.635  -0.833   1.575
  154   2HB   CYS  19          1HB       CYS  19   5.614  -0.912   0.117
  155    H    CYS  20           H        CYS  20   6.906  -2.925  -0.501
  156    HA   CYS  20           HA       CYS  20   8.281  -4.547   1.390
  157   1HB   CYS  20          2HB       CYS  20   8.876  -3.341  -1.195
  158   2HB   CYS  20          1HB       CYS  20  10.257  -3.331  -0.112
  159    HA   PRO  21           HA       PRO  21   9.774  -1.717   4.358
  160   1HB   PRO  21          2HB       PRO  21  12.536  -2.609   3.718
  161   2HB   PRO  21          1HB       PRO  21  11.688  -2.536   5.268
  162   1HG   PRO  21          2HG       PRO  21  12.055  -4.877   4.032
  163   2HG   PRO  21          1HG       PRO  21  10.539  -4.527   4.884
  164   1HD   PRO  21          2HD       PRO  21  11.115  -4.495   1.947
  165   2HD   PRO  21          1HD       PRO  21   9.651  -5.025   2.790
  166    H    GLY  22           H        GLY  22   9.664   0.283   3.878
  167   1HA   GLY  22          2HA       GLY  22  11.212   2.221   3.403
  168   2HA   GLY  22          1HA       GLY  22  11.470   1.430   1.854
  169    H    LEU  23           H        LEU  23   8.716   0.578   1.517
  170    HA   LEU  23           HA       LEU  23   7.508   3.205   0.962
  171   1HB   LEU  23          2HB       LEU  23   7.147   0.579  -0.493
  172   2HB   LEU  23          1HB       LEU  23   6.270   2.049  -0.857
  173    HG   LEU  23           HG       LEU  23   7.902   1.954  -2.506
  174   1HD1  LEU  23          1HD1      LEU  23   8.725   4.003  -2.290
  175   2HD1  LEU  23          2HD1      LEU  23   9.685   3.564  -0.878
  176   3HD1  LEU  23          3HD1      LEU  23   7.988   4.009  -0.688
  177   1HD2  LEU  23          1HD2      LEU  23   9.467   0.388  -2.171
  178   2HD2  LEU  23          2HD2      LEU  23   9.519   0.664  -0.430
  179   3HD2  LEU  23          3HD2      LEU  23  10.417   1.722  -1.517
  180    H    ILE  24           H        ILE  24   5.253   3.441   1.286
  181    HA   ILE  24           HA       ILE  24   3.919   1.269   2.754
  182    HB   ILE  24           HB       ILE  24   2.964   2.994   4.340
  183   1HG1  ILE  24          2HG1      ILE  24   5.327   4.624   3.376
  184   2HG1  ILE  24          1HG1      ILE  24   3.641   4.985   3.023
  185   1HG2  ILE  24          1HG2      ILE  24   5.900   2.336   4.456
  186   2HG2  ILE  24          2HG2      ILE  24   4.564   1.400   5.127
  187   3HG2  ILE  24          3HG2      ILE  24   4.970   2.974   5.811
  188   1HD1  ILE  24          1HD1      ILE  24   3.190   5.454   5.314
  189   2HD1  ILE  24          2HD1      ILE  24   4.642   6.341   4.851
  190   3HD1  ILE  24          3HD1      ILE  24   4.778   4.862   5.803
  191    H    CYS  25           H        CYS  25   1.811   1.013   2.233
  192    HA   CYS  25           HA       CYS  25   0.733   2.425   0.029
  193   1HB   CYS  25          2HB       CYS  25   0.041   0.147   0.416
  194   2HB   CYS  25          1HB       CYS  25  -0.597   0.565   2.003
  195    H    GLY  26           H        GLY  26  -0.746   4.050  -0.124
  196   1HA   GLY  26          2HA       GLY  26  -1.868   5.149   2.355
  197   2HA   GLY  26          1HA       GLY  26  -0.889   6.198   1.343
  198    HA   PRO  27           HA       PRO  27  -4.667   7.259  -0.708
  199   1HB   PRO  27          2HB       PRO  27  -3.669   8.484  -2.902
  200   2HB   PRO  27          1HB       PRO  27  -3.596   9.208  -1.291
  201   1HG   PRO  27          2HG       PRO  27  -1.472   7.746  -2.811
  202   2HG   PRO  27          1HG       PRO  27  -1.338   9.221  -1.838
  203   1HD   PRO  27          2HD       PRO  27  -0.610   6.759  -0.927
  204   2HD   PRO  27          1HD       PRO  27  -1.191   8.057   0.134
  205    H    PHE  28           H        PHE  28  -4.461   4.687  -0.982
  206    HA   PHE  28           HA       PHE  28  -5.072   2.895  -2.206
  207   1HB   PHE  28          2HB       PHE  28  -5.903   5.023  -4.206
  208   2HB   PHE  28          1HB       PHE  28  -6.146   3.301  -4.490
  209    HD1  PHE  28           1HD      PHE  28  -8.286   2.621  -4.156
  210    HD2  PHE  28           2HD      PHE  28  -6.693   5.640  -1.615
  211    HE1  PHE  28           1HE      PHE  28 -10.419   2.715  -2.935
  212    HE2  PHE  28           2HE      PHE  28  -8.823   5.737  -0.388
  213    HZ   PHE  28           HZ       PHE  28 -10.689   4.272  -1.049
  214    H    VAL  29           H        VAL  29  -2.391   4.348  -2.495
  215    HA   VAL  29           HA       VAL  29  -1.257   2.443  -4.360
  216    HB   VAL  29           HB       VAL  29   0.189   4.174  -5.470
  217   1HG1  VAL  29          1HG1      VAL  29  -2.544   5.010  -6.231
  218   2HG1  VAL  29          2HG1      VAL  29  -2.199   3.281  -6.283
  219   3HG1  VAL  29          3HG1      VAL  29  -1.218   4.404  -7.224
  220   1HG2  VAL  29          1HG2      VAL  29  -0.736   5.881  -3.559
  221   2HG2  VAL  29          2HG2      VAL  29  -1.695   6.365  -4.958
  222   3HG2  VAL  29          3HG2      VAL  29   0.065   6.374  -5.051
  223    H    CYS  30           H        CYS  30   1.184   2.506  -4.067
  224    HA   CYS  30           HA       CYS  30   1.726   2.982  -1.251
  225   1HB   CYS  30          2HB       CYS  30   2.345   0.853  -2.617
  226   2HB   CYS  30          1HB       CYS  30   3.680   1.827  -3.214
  227    H    VAL  31           H        VAL  31   3.518   4.238  -0.513
  228    HA   VAL  31           HA       VAL  31   4.729   6.000  -2.520
  229    HB   VAL  31           HB       VAL  31   4.421   7.969  -1.022
  230   1HG1  VAL  31          1HG1      VAL  31   2.685   8.499  -2.298
  231   2HG1  VAL  31          2HG1      VAL  31   1.631   7.429  -1.373
  232   3HG1  VAL  31          3HG1      VAL  31   2.538   6.800  -2.748
  233   1HG2  VAL  31          1HG2      VAL  31   3.295   5.951   0.724
  234   2HG2  VAL  31          2HG2      VAL  31   2.202   7.316   0.502
  235   3HG2  VAL  31          3HG2      VAL  31   3.842   7.587   1.094
  Start of MODEL    9
    1   1H    ALA   1          1HT       ALA   1   4.645 -11.515   0.654
    2   2H    ALA   1          2HT       ALA   1   3.033 -11.010   0.643
    3   3H    ALA   1          3HT       ALA   1   4.221 -10.026   1.338
    4    HA   ALA   1           HA       ALA   1   5.218 -10.288  -1.107
    5   1HB   ALA   1          1HB       ALA   1   3.114 -11.594  -1.686
    6   2HB   ALA   1          2HB       ALA   1   3.541 -10.261  -2.759
    7   3HB   ALA   1          3HB       ALA   1   2.257 -10.057  -1.569
    8    H    CYS   2           H        CYS   2   5.676  -8.262  -1.851
    9    HA   CYS   2           HA       CYS   2   4.263  -6.016  -0.550
   10   1HB   CYS   2          2HB       CYS   2   6.377  -4.790  -0.641
   11   2HB   CYS   2          1HB       CYS   2   6.532  -6.258   0.310
   12    H    SER   3           H        SER   3   3.363  -4.578  -1.855
   13    HA   SER   3           HA       SER   3   3.537  -4.949  -4.710
   14   1HB   SER   3          2HB       SER   3   1.978  -2.874  -3.153
   15   2HB   SER   3          1HB       SER   3   1.711  -3.364  -4.827
   16    HG   SER   3           HG       SER   3   0.515  -4.916  -4.102
   17    H    LYS   4           H        LYS   4   4.134  -3.322  -6.215
   18    HA   LYS   4           HA       LYS   4   6.415  -1.800  -5.496
   19   1HB   LYS   4          2HB       LYS   4   4.686  -1.687  -7.977
   20   2HB   LYS   4          1HB       LYS   4   6.198  -0.816  -7.790
   21   1HG   LYS   4          2HG       LYS   4   7.457  -2.819  -7.762
   22   2HG   LYS   4          1HG       LYS   4   6.006  -3.808  -7.577
   23   1HD   LYS   4          2HD       LYS   4   6.410  -2.040  -9.974
   24   2HD   LYS   4          1HD       LYS   4   7.076  -3.673  -9.910
   25   1HE   LYS   4          2HE       LYS   4   5.024  -4.664 -10.019
   26   2HE   LYS   4          1HE       LYS   4   4.216  -3.330  -9.200
   27   1HZ   LYS   4          1HZ       LYS   4   3.756  -2.315 -11.120
   28   2HZ   LYS   4          2HZ       LYS   4   4.061  -3.824 -11.835
   29   3HZ   LYS   4          3HZ       LYS   4   5.277  -2.653 -11.796
   30    H    LYS   5           H        LYS   5   6.607   0.542  -5.634
   31    HA   LYS   5           HA       LYS   5   4.943   1.872  -3.945
   32   1HB   LYS   5          2HB       LYS   5   7.059   2.816  -4.331
   33   2HB   LYS   5          1HB       LYS   5   6.788   2.918  -6.067
   34   1HG   LYS   5          2HG       LYS   5   5.464   4.800  -5.882
   35   2HG   LYS   5          1HG       LYS   5   5.038   4.461  -4.220
   36   1HD   LYS   5          2HD       LYS   5   7.241   5.099  -3.478
   37   2HD   LYS   5          1HD       LYS   5   7.774   5.300  -5.150
   38   1HE   LYS   5          2HE       LYS   5   6.593   7.249  -5.438
   39   2HE   LYS   5          1HE       LYS   5   5.397   6.833  -4.210
   40   1HZ   LYS   5          1HZ       LYS   5   8.188   7.736  -3.744
   41   2HZ   LYS   5          2HZ       LYS   5   7.163   7.171  -2.517
   42   3HZ   LYS   5          3HZ       LYS   5   6.770   8.581  -3.376
   43    H    TRP   6           H        TRP   6   4.862   2.479  -7.454
   44    HA   TRP   6           HA       TRP   6   2.418   3.930  -7.076
   45   1HB   TRP   6          2HB       TRP   6   3.687   3.182  -9.710
   46   2HB   TRP   6          1HB       TRP   6   2.586   4.517  -9.379
   47    HD1  TRP   6           HD       TRP   6   6.233   3.449  -8.783
   48    HE1  TRP   6           1HE      TRP   6   7.643   5.545  -8.313
   49    HE3  TRP   6           3HE      TRP   6   2.480   6.895  -8.461
   50    HZ2  TRP   6           2HZ      TRP   6   7.218   8.292  -7.846
   51    HZ3  TRP   6           3HZ      TRP   6   3.062   9.235  -7.989
   52    HH2  TRP   6           HH       TRP   6   5.385   9.918  -7.682
   53    H    GLU   7           H        GLU   7   2.475   1.027  -6.461
   54    HA   GLU   7           HA       GLU   7   0.510   0.050  -8.438
   55   1HB   GLU   7          2HB       GLU   7   1.846  -1.391  -6.142
   56   2HB   GLU   7          1HB       GLU   7   0.660  -2.109  -7.221
   57   1HG   GLU   7          2HG       GLU   7   3.325  -1.013  -8.064
   58   2HG   GLU   7          1HG       GLU   7   2.973  -2.711  -7.762
   59    H    TYR   8           H        TYR   8  -1.574  -0.517  -7.855
   60    HA   TYR   8           HA       TYR   8  -2.690   0.969  -5.681
   61   1HB   TYR   8          2HB       TYR   8  -3.859  -0.963  -7.681
   62   2HB   TYR   8          1HB       TYR   8  -4.822  -0.305  -6.363
   63    HD1  TYR   8           1HD      TYR   8  -2.367   1.134  -8.807
   64    HD2  TYR   8           2HD      TYR   8  -6.246   1.352  -7.071
   65    HE1  TYR   8           1HE      TYR   8  -2.851   3.132 -10.153
   66    HE2  TYR   8           2HE      TYR   8  -6.741   3.350  -8.415
   67    HH   TYR   8           HH       TYR   8  -4.823   5.265  -9.634
   68    H    CYS   9           H        CYS   9  -1.890   0.224  -3.779
   69    HA   CYS   9           HA       CYS   9  -1.777  -2.551  -3.107
   70   1HB   CYS   9          2HB       CYS   9  -1.309  -1.530  -0.767
   71   2HB   CYS   9          1HB       CYS   9  -0.133  -1.290  -2.057
   72    H    ILE  10           H        ILE  10  -4.327  -2.211  -3.861
   73    HA   ILE  10           HA       ILE  10  -6.087  -1.608  -1.694
   74    HB   ILE  10           HB       ILE  10  -7.830  -2.719  -3.122
   75   1HG1  ILE  10          2HG1      ILE  10  -5.556  -2.945  -5.110
   76   2HG1  ILE  10          1HG1      ILE  10  -6.303  -4.302  -4.275
   77   1HG2  ILE  10          1HG2      ILE  10  -7.919  -0.502  -3.524
   78   2HG2  ILE  10          2HG2      ILE  10  -7.289  -0.980  -5.101
   79   3HG2  ILE  10          3HG2      ILE  10  -6.192  -0.382  -3.856
   80   1HD1  ILE  10          1HD1      ILE  10  -8.380  -2.857  -5.509
   81   2HD1  ILE  10          2HD1      ILE  10  -7.769  -4.461  -5.917
   82   3HD1  ILE  10          3HD1      ILE  10  -7.087  -3.033  -6.696
   83    H    VAL  11           H        VAL  11  -6.699  -2.866  -0.065
   84    HA   VAL  11           HA       VAL  11  -5.536  -5.456   0.238
   85    HB   VAL  11           HB       VAL  11  -6.778  -5.522   2.402
   86   1HG1  VAL  11          1HG1      VAL  11  -5.547  -3.563   3.401
   87   2HG1  VAL  11          2HG1      VAL  11  -5.073  -3.127   1.759
   88   3HG1  VAL  11          3HG1      VAL  11  -4.566  -4.671   2.442
   89   1HG2  VAL  11          1HG2      VAL  11  -7.511  -2.790   2.605
   90   2HG2  VAL  11          2HG2      VAL  11  -8.543  -4.214   2.743
   91   3HG2  VAL  11          3HG2      VAL  11  -8.295  -3.452   1.171
   92    HA   PRO  12           HA       PRO  12  -8.839  -7.760  -1.614
   93   1HB   PRO  12          2HB       PRO  12  -7.690 -10.100  -0.283
   94   2HB   PRO  12          1HB       PRO  12  -7.788  -9.736  -2.007
   95   1HG   PRO  12          2HG       PRO  12  -5.451  -9.717  -0.653
   96   2HG   PRO  12          1HG       PRO  12  -5.768  -8.641  -2.026
   97   1HD   PRO  12          2HD       PRO  12  -5.863  -8.050   0.909
   98   2HD   PRO  12          1HD       PRO  12  -5.219  -7.061  -0.419
   99    H    ILE  13           H        ILE  13 -10.795  -8.546  -0.963
  100    HA   ILE  13           HA       ILE  13 -11.783  -7.980   1.556
  101    HB   ILE  13           HB       ILE  13 -13.222  -8.277  -0.398
  102   1HG1  ILE  13          2HG1      ILE  13 -15.031  -9.624   0.676
  103   2HG1  ILE  13          1HG1      ILE  13 -13.869 -10.144   1.892
  104   1HG2  ILE  13          1HG2      ILE  13 -12.488 -10.021  -1.672
  105   2HG2  ILE  13          2HG2      ILE  13 -13.846 -10.791  -0.850
  106   3HG2  ILE  13          3HG2      ILE  13 -12.200 -11.064  -0.279
  107   1HD1  ILE  13          1HD1      ILE  13 -14.526  -8.395   3.082
  108   2HD1  ILE  13          2HD1      ILE  13 -15.392  -7.697   1.713
  109   3HD1  ILE  13          3HD1      ILE  13 -13.668  -7.389   1.915
  110    H    LEU  14           H        LEU  14 -10.203 -10.891   0.431
  111    HA   LEU  14           HA       LEU  14 -10.750 -12.180   3.008
  112   1HB   LEU  14          2HB       LEU  14  -9.728 -13.360   0.425
  113   2HB   LEU  14          1HB       LEU  14  -9.991 -14.259   1.906
  114    HG   LEU  14           HG       LEU  14 -12.141 -12.865   0.307
  115   1HD1  LEU  14          1HD1      LEU  14 -12.636 -15.595   0.412
  116   2HD1  LEU  14          2HD1      LEU  14 -10.910 -15.466   0.071
  117   3HD1  LEU  14          3HD1      LEU  14 -12.078 -14.672  -0.983
  118   1HD2  LEU  14          1HD2      LEU  14 -12.314 -13.189   2.905
  119   2HD2  LEU  14          2HD2      LEU  14 -12.665 -14.858   2.459
  120   3HD2  LEU  14          3HD2      LEU  14 -13.686 -13.551   1.859
  121    H    GLY  15           H        GLY  15  -8.773 -10.046   2.765
  122   1HA   GLY  15          2HA       GLY  15  -6.710 -11.123   4.272
  123   2HA   GLY  15          1HA       GLY  15  -6.168 -11.202   2.603
  124    H    PHE  16           H        PHE  16  -4.539  -9.737   2.780
  125    HA   PHE  16           HA       PHE  16  -5.182  -7.011   2.467
  126   1HB   PHE  16          2HB       PHE  16  -4.020  -6.116   4.476
  127   2HB   PHE  16          1HB       PHE  16  -5.494  -6.987   4.874
  128    HD1  PHE  16           1HD      PHE  16  -5.461  -8.744   6.402
  129    HD2  PHE  16           2HD      PHE  16  -1.793  -7.321   4.778
  130    HE1  PHE  16           1HE      PHE  16  -4.216 -10.111   8.024
  131    HE2  PHE  16           2HE      PHE  16  -0.542  -8.691   6.392
  132    HZ   PHE  16           HZ       PHE  16  -1.753 -10.089   8.018
  133    H    VAL  17           H        VAL  17  -3.336  -5.764   1.856
  134    HA   VAL  17           HA       VAL  17  -0.985  -7.435   1.253
  135    HB   VAL  17           HB       VAL  17  -1.400  -4.895  -0.236
  136   1HG1  VAL  17          1HG1      VAL  17   0.153  -5.756  -1.567
  137   2HG1  VAL  17          2HG1      VAL  17  -0.760  -7.252  -1.775
  138   3HG1  VAL  17          3HG1      VAL  17   0.323  -7.064  -0.396
  139   1HG2  VAL  17          1HG2      VAL  17  -2.961  -5.770  -1.792
  140   2HG2  VAL  17          2HG2      VAL  17  -3.646  -6.044  -0.190
  141   3HG2  VAL  17          3HG2      VAL  17  -2.889  -7.375  -1.066
  142    H    TYR  18           H        TYR  18   0.922  -5.692   0.722
  143    HA   TYR  18           HA       TYR  18   1.072  -3.413   2.381
  144   1HB   TYR  18          2HB       TYR  18   2.725  -4.239   4.025
  145   2HB   TYR  18          1HB       TYR  18   1.173  -5.044   4.203
  146    HD1  TYR  18           1HD      TYR  18   4.642  -5.464   2.988
  147    HD2  TYR  18           2HD      TYR  18   0.970  -7.399   3.927
  148    HE1  TYR  18           1HE      TYR  18   5.755  -7.646   2.816
  149    HE2  TYR  18           2HE      TYR  18   2.077  -9.588   3.760
  150    HH   TYR  18           HH       TYR  18   4.971 -10.218   4.029
  151    H    CYS  19           H        CYS  19   3.061  -2.297   2.124
  152    HA   CYS  19           HA       CYS  19   4.426  -2.976  -0.337
  153   1HB   CYS  19          2HB       CYS  19   4.729  -0.701   1.593
  154   2HB   CYS  19          1HB       CYS  19   5.580  -0.794   0.057
  155    H    CYS  20           H        CYS  20   6.809  -2.890  -0.458
  156    HA   CYS  20           HA       CYS  20   7.987  -4.615   1.494
  157   1HB   CYS  20          2HB       CYS  20   8.716  -3.572  -1.113
  158   2HB   CYS  20          1HB       CYS  20  10.077  -3.539  -0.004
  159    HA   PRO  21           HA       PRO  21   9.612  -1.830   4.439
  160   1HB   PRO  21          2HB       PRO  21  12.323  -2.913   3.877
  161   2HB   PRO  21          1HB       PRO  21  11.451  -2.745   5.407
  162   1HG   PRO  21          2HG       PRO  21  11.686  -5.137   4.238
  163   2HG   PRO  21          1HG       PRO  21  10.178  -4.663   5.043
  164   1HD   PRO  21          2HD       PRO  21  10.819  -4.744   2.121
  165   2HD   PRO  21          1HD       PRO  21   9.306  -5.156   2.940
  166    H    GLY  22           H        GLY  22   9.628   0.158   3.905
  167   1HA   GLY  22          2HA       GLY  22  11.318   1.984   3.429
  168   2HA   GLY  22          1HA       GLY  22  11.539   1.151   1.897
  169    H    LEU  23           H        LEU  23   8.754   0.475   1.524
  170    HA   LEU  23           HA       LEU  23   7.737   3.153   0.854
  171   1HB   LEU  23          2HB       LEU  23   7.075   0.475  -0.380
  172   2HB   LEU  23          1HB       LEU  23   6.452   2.027  -0.905
  173    HG   LEU  23           HG       LEU  23   9.367   1.247  -0.993
  174   1HD1  LEU  23          1HD1      LEU  23   9.136   0.572  -3.157
  175   2HD1  LEU  23          2HD1      LEU  23   7.716   1.580  -3.438
  176   3HD1  LEU  23          3HD1      LEU  23   7.564   0.076  -2.530
  177   1HD2  LEU  23          1HD2      LEU  23   7.912   3.572  -2.246
  178   2HD2  LEU  23          2HD2      LEU  23   9.639   3.228  -2.350
  179   3HD2  LEU  23          3HD2      LEU  23   8.918   3.666  -0.802
  180    H    ILE  24           H        ILE  24   5.532   3.631   1.253
  181    HA   ILE  24           HA       ILE  24   4.148   1.686   2.986
  182    HB   ILE  24           HB       ILE  24   3.230   3.638   4.283
  183   1HG1  ILE  24          2HG1      ILE  24   5.548   5.103   2.996
  184   2HG1  ILE  24          1HG1      ILE  24   3.850   5.392   2.639
  185   1HG2  ILE  24          1HG2      ILE  24   5.841   2.398   4.437
  186   2HG2  ILE  24          2HG2      ILE  24   4.672   2.732   5.713
  187   3HG2  ILE  24          3HG2      ILE  24   5.815   3.979   5.216
  188   1HD1  ILE  24          1HD1      ILE  24   4.639   7.084   4.132
  189   2HD1  ILE  24          2HD1      ILE  24   5.257   5.871   5.253
  190   3HD1  ILE  24          3HD1      ILE  24   3.519   6.039   5.006
  191    H    CYS  25           H        CYS  25   2.082   1.308   2.522
  192    HA   CYS  25           HA       CYS  25   0.915   2.351   0.156
  193   1HB   CYS  25          2HB       CYS  25   0.422   0.092   0.989
  194   2HB   CYS  25          1HB       CYS  25  -0.353   0.778   2.412
  195    H    GLY  26           H        GLY  26  -0.619   3.915  -0.159
  196   1HA   GLY  26          2HA       GLY  26  -1.658   5.307   2.219
  197   2HA   GLY  26          1HA       GLY  26  -0.853   6.219   0.953
  198    HA   PRO  27           HA       PRO  27  -5.036   6.765  -0.532
  199   1HB   PRO  27          2HB       PRO  27  -4.407   8.275  -2.698
  200   2HB   PRO  27          1HB       PRO  27  -4.419   8.911  -1.049
  201   1HG   PRO  27          2HG       PRO  27  -2.105   7.989  -2.709
  202   2HG   PRO  27          1HG       PRO  27  -2.235   9.417  -1.666
  203   1HD   PRO  27          2HD       PRO  27  -0.973   7.151  -0.889
  204   2HD   PRO  27          1HD       PRO  27  -1.830   8.208   0.252
  205    H    PHE  28           H        PHE  28  -4.536   4.309  -1.000
  206    HA   PHE  28           HA       PHE  28  -4.933   2.535  -2.330
  207   1HB   PHE  28          2HB       PHE  28  -6.004   4.662  -4.207
  208   2HB   PHE  28          1HB       PHE  28  -6.025   2.948  -4.609
  209    HD1  PHE  28           1HD      PHE  28  -8.101   2.045  -4.408
  210    HD2  PHE  28           2HD      PHE  28  -6.856   4.937  -1.544
  211    HE1  PHE  28           1HE      PHE  28 -10.239   1.785  -3.220
  212    HE2  PHE  28           2HE      PHE  28  -8.991   4.680  -0.351
  213    HZ   PHE  28           HZ       PHE  28 -10.686   3.101  -1.188
  214    H    VAL  29           H        VAL  29  -2.430   4.256  -2.456
  215    HA   VAL  29           HA       VAL  29  -1.079   2.638  -4.431
  216    HB   VAL  29           HB       VAL  29   0.177   4.559  -5.419
  217   1HG1  VAL  29          1HG1      VAL  29  -2.290   3.586  -6.180
  218   2HG1  VAL  29          2HG1      VAL  29  -1.199   4.558  -7.167
  219   3HG1  VAL  29          3HG1      VAL  29  -2.495   5.336  -6.256
  220   1HG2  VAL  29          1HG2      VAL  29  -0.959   6.819  -5.287
  221   2HG2  VAL  29          2HG2      VAL  29  -0.111   6.288  -3.835
  222   3HG2  VAL  29          3HG2      VAL  29  -1.870   6.182  -3.917
  223    H    CYS  30           H        CYS  30   1.214   2.640  -4.024
  224    HA   CYS  30           HA       CYS  30   1.784   3.186  -1.227
  225   1HB   CYS  30          2HB       CYS  30   2.371   1.024  -2.553
  226   2HB   CYS  30          1HB       CYS  30   3.695   1.974  -3.209
  227    H    VAL  31           H        VAL  31   3.735   4.354  -0.593
  228    HA   VAL  31           HA       VAL  31   4.848   6.102  -2.663
  229    HB   VAL  31           HB       VAL  31   4.692   8.073  -1.131
  230   1HG1  VAL  31          1HG1      VAL  31   1.946   7.948  -1.323
  231   2HG1  VAL  31          2HG1      VAL  31   2.495   6.835  -2.576
  232   3HG1  VAL  31          3HG1      VAL  31   3.053   8.508  -2.578
  233   1HG2  VAL  31          1HG2      VAL  31   3.511   6.072   0.626
  234   2HG2  VAL  31          2HG2      VAL  31   2.544   7.541   0.495
  235   3HG2  VAL  31          3HG2      VAL  31   4.228   7.637   1.009
  Start of MODEL   10
    1   1H    ALA   1          1HT       ALA   1   5.498  -9.932   2.358
    2   2H    ALA   1          2HT       ALA   1   6.531 -10.933   1.466
    3   3H    ALA   1          3HT       ALA   1   5.009 -11.498   1.942
    4    HA   ALA   1           HA       ALA   1   5.614 -10.384  -0.452
    5   1HB   ALA   1          1HB       ALA   1   3.645 -11.347  -0.821
    6   2HB   ALA   1          2HB       ALA   1   2.846 -10.016   0.016
    7   3HB   ALA   1          3HB       ALA   1   3.350 -11.448   0.914
    8    H    CYS   2           H        CYS   2   5.069  -8.437  -1.510
    9    HA   CYS   2           HA       CYS   2   4.102  -6.200   0.060
   10   1HB   CYS   2          2HB       CYS   2   6.032  -4.799  -0.349
   11   2HB   CYS   2          1HB       CYS   2   6.496  -6.223   0.564
   12    H    SER   3           H        SER   3   5.266  -4.340  -2.035
   13    HA   SER   3           HA       SER   3   4.275  -5.182  -4.557
   14   1HB   SER   3          2HB       SER   3   2.139  -4.859  -3.217
   15   2HB   SER   3          1HB       SER   3   2.543  -3.146  -3.136
   16    HG   SER   3           HG       SER   3   1.313  -3.279  -4.907
   17    H    LYS   4           H        LYS   4   4.236  -3.347  -6.132
   18    HA   LYS   4           HA       LYS   4   6.553  -1.725  -5.784
   19   1HB   LYS   4          2HB       LYS   4   4.429  -1.559  -7.936
   20   2HB   LYS   4          1HB       LYS   4   6.006  -0.785  -7.988
   21   1HG   LYS   4          2HG       LYS   4   6.890  -3.230  -7.702
   22   2HG   LYS   4          1HG       LYS   4   5.292  -3.660  -8.312
   23   1HD   LYS   4          2HD       LYS   4   7.306  -1.872  -9.678
   24   2HD   LYS   4          1HD       LYS   4   6.904  -3.526 -10.134
   25   1HE   LYS   4          2HE       LYS   4   4.915  -1.261 -10.105
   26   2HE   LYS   4          1HE       LYS   4   5.830  -1.741 -11.532
   27   1HZ   LYS   4          1HZ       LYS   4   4.790  -3.888 -11.475
   28   2HZ   LYS   4          2HZ       LYS   4   3.581  -2.705 -11.423
   29   3HZ   LYS   4          3HZ       LYS   4   4.005  -3.536 -10.014
   30    H    LYS   5           H        LYS   5   6.663   0.578  -5.742
   31    HA   LYS   5           HA       LYS   5   5.019   1.782  -3.886
   32   1HB   LYS   5          2HB       LYS   5   7.105   2.798  -4.198
   33   2HB   LYS   5          1HB       LYS   5   6.884   2.925  -5.938
   34   1HG   LYS   5          2HG       LYS   5   5.529   4.788  -5.761
   35   2HG   LYS   5          1HG       LYS   5   5.066   4.419  -4.114
   36   1HD   LYS   5          2HD       LYS   5   7.245   5.071  -3.309
   37   2HD   LYS   5          1HD       LYS   5   7.815   5.306  -4.964
   38   1HE   LYS   5          2HE       LYS   5   6.615   7.244  -5.252
   39   2HE   LYS   5          1HE       LYS   5   5.398   6.797  -4.056
   40   1HZ   LYS   5          1HZ       LYS   5   8.166   7.728  -3.515
   41   2HZ   LYS   5          2HZ       LYS   5   7.120   7.132  -2.321
   42   3HZ   LYS   5          3HZ       LYS   5   6.729   8.548  -3.168
   43    H    TRP   6           H        TRP   6   4.963   2.536  -7.362
   44    HA   TRP   6           HA       TRP   6   2.470   3.909  -6.993
   45   1HB   TRP   6          2HB       TRP   6   3.783   3.263  -9.632
   46   2HB   TRP   6          1HB       TRP   6   2.665   4.574  -9.267
   47    HD1  TRP   6           HD       TRP   6   6.320   3.531  -8.688
   48    HE1  TRP   6           1HE      TRP   6   7.709   5.630  -8.172
   49    HE3  TRP   6           3HE      TRP   6   2.534   6.936  -8.315
   50    HZ2  TRP   6           2HZ      TRP   6   7.258   8.364  -7.652
   51    HZ3  TRP   6           3HZ      TRP   6   3.094   9.272  -7.795
   52    HH2  TRP   6           HH       TRP   6   5.410   9.970  -7.466
   53    H    GLU   7           H        GLU   7   2.645   1.015  -6.437
   54    HA   GLU   7           HA       GLU   7   0.863  -0.110  -8.480
   55   1HB   GLU   7          2HB       GLU   7   2.841  -1.323  -7.194
   56   2HB   GLU   7          1HB       GLU   7   1.598  -1.565  -5.976
   57   1HG   GLU   7          2HG       GLU   7   1.303  -3.471  -7.144
   58   2HG   GLU   7          1HG       GLU   7   0.244  -2.424  -8.091
   59    H    TYR   8           H        TYR   8  -1.261  -0.713  -8.018
   60    HA   TYR   8           HA       TYR   8  -2.631   0.887  -6.117
   61   1HB   TYR   8          2HB       TYR   8  -3.779   0.251  -8.133
   62   2HB   TYR   8          1HB       TYR   8  -3.498  -1.458  -7.828
   63    HD1  TYR   8           1HD      TYR   8  -5.434  -2.590  -7.352
   64    HD2  TYR   8           2HD      TYR   8  -4.985   1.366  -5.859
   65    HE1  TYR   8           1HE      TYR   8  -7.627  -2.762  -6.256
   66    HE2  TYR   8           2HE      TYR   8  -7.175   1.204  -4.755
   67    HH   TYR   8           HH       TYR   8  -8.852  -1.751  -4.419
   68    H    CYS   9           H        CYS   9  -2.702   0.564  -4.014
   69    HA   CYS   9           HA       CYS   9  -1.942  -1.932  -2.829
   70   1HB   CYS   9          2HB       CYS   9  -2.901   0.677  -1.663
   71   2HB   CYS   9          1HB       CYS   9  -2.546  -0.731  -0.669
   72    H    ILE  10           H        ILE  10  -3.608  -3.251  -3.806
   73    HA   ILE  10           HA       ILE  10  -6.352  -2.881  -3.129
   74    HB   ILE  10           HB       ILE  10  -5.859  -4.083  -5.132
   75   1HG1  ILE  10          2HG1      ILE  10  -7.088  -6.223  -4.773
   76   2HG1  ILE  10          1HG1      ILE  10  -6.969  -5.960  -3.036
   77   1HG2  ILE  10          1HG2      ILE  10  -4.784  -6.385  -4.992
   78   2HG2  ILE  10          2HG2      ILE  10  -4.223  -5.895  -3.393
   79   3HG2  ILE  10          3HG2      ILE  10  -3.727  -4.983  -4.819
   80   1HD1  ILE  10          1HD1      ILE  10  -8.364  -4.132  -4.976
   81   2HD1  ILE  10          2HD1      ILE  10  -8.297  -3.947  -3.224
   82   3HD1  ILE  10          3HD1      ILE  10  -9.150  -5.318  -3.934
   83    H    VAL  11           H        VAL  11  -6.341  -2.604  -0.896
   84    HA   VAL  11           HA       VAL  11  -5.301  -4.578   0.879
   85    HB   VAL  11           HB       VAL  11  -6.460  -3.297   2.659
   86   1HG1  VAL  11          1HG1      VAL  11  -4.321  -2.517   2.347
   87   2HG1  VAL  11          2HG1      VAL  11  -5.260  -1.053   2.051
   88   3HG1  VAL  11          3HG1      VAL  11  -4.638  -1.990   0.693
   89   1HG2  VAL  11          1HG2      VAL  11  -7.248  -1.266   0.604
   90   2HG2  VAL  11          2HG2      VAL  11  -7.823  -1.462   2.260
   91   3HG2  VAL  11          3HG2      VAL  11  -8.337  -2.594   1.009
   92    HA   PRO  12           HA       PRO  12  -8.683  -7.419   0.805
   93   1HB   PRO  12          2HB       PRO  12  -8.177  -8.689   3.161
   94   2HB   PRO  12          1HB       PRO  12  -7.249  -8.980   1.686
   95   1HG   PRO  12          2HG       PRO  12  -6.579  -7.260   4.039
   96   2HG   PRO  12          1HG       PRO  12  -5.530  -8.348   3.111
   97   1HD   PRO  12          2HD       PRO  12  -5.534  -5.667   2.745
   98   2HD   PRO  12          1HD       PRO  12  -5.214  -6.809   1.425
   99    H    ILE  13           H        ILE  13 -10.705  -7.711   1.739
  100    HA   ILE  13           HA       ILE  13 -11.852  -5.543   3.036
  101    HB   ILE  13           HB       ILE  13 -13.822  -6.926   3.456
  102   1HG1  ILE  13          2HG1      ILE  13 -12.521  -9.033   4.039
  103   2HG1  ILE  13          1HG1      ILE  13 -13.950  -9.261   3.041
  104   1HG2  ILE  13          1HG2      ILE  13 -14.289  -7.566   1.118
  105   2HG2  ILE  13          2HG2      ILE  13 -12.584  -7.324   0.742
  106   3HG2  ILE  13          3HG2      ILE  13 -13.570  -5.963   1.276
  107   1HD1  ILE  13          1HD1      ILE  13 -12.741 -10.307   1.517
  108   2HD1  ILE  13          2HD1      ILE  13 -11.326 -10.140   2.557
  109   3HD1  ILE  13          3HD1      ILE  13 -11.682  -8.907   1.348
  110    H    LEU  14           H        LEU  14 -11.959  -4.893   5.040
  111    HA   LEU  14           HA       LEU  14 -11.714  -4.731   7.279
  112   1HB   LEU  14          2HB       LEU  14 -12.015  -7.733   7.216
  113   2HB   LEU  14          1HB       LEU  14 -12.043  -6.751   8.668
  114    HG   LEU  14           HG       LEU  14 -14.049  -6.595   6.415
  115   1HD1  LEU  14          1HD1      LEU  14 -14.739  -7.459   9.171
  116   2HD1  LEU  14          2HD1      LEU  14 -13.932  -8.616   8.113
  117   3HD1  LEU  14          3HD1      LEU  14 -15.469  -7.901   7.628
  118   1HD2  LEU  14          1HD2      LEU  14 -13.844  -4.443   7.427
  119   2HD2  LEU  14          2HD2      LEU  14 -13.848  -5.142   9.046
  120   3HD2  LEU  14          3HD2      LEU  14 -15.309  -5.195   8.061
  121    H    GLY  15           H        GLY  15  -9.386  -5.100   5.496
  122   1HA   GLY  15          2HA       GLY  15  -7.434  -5.442   7.602
  123   2HA   GLY  15          1HA       GLY  15  -7.351  -6.661   6.337
  124    H    PHE  16           H        PHE  16  -5.207  -5.835   5.906
  125    HA   PHE  16           HA       PHE  16  -5.188  -3.993   3.756
  126   1HB   PHE  16          2HB       PHE  16  -3.649  -2.312   4.811
  127   2HB   PHE  16          1HB       PHE  16  -5.299  -2.266   5.415
  128    HD1  PHE  16           1HD      PHE  16  -1.933  -3.656   6.226
  129    HD2  PHE  16           2HD      PHE  16  -5.693  -2.297   7.687
  130    HE1  PHE  16           1HE      PHE  16  -1.099  -3.837   8.533
  131    HE2  PHE  16           2HE      PHE  16  -4.864  -2.477   9.996
  132    HZ   PHE  16           HZ       PHE  16  -2.564  -3.247  10.421
  133    H    VAL  17           H        VAL  17  -3.137  -3.880   2.709
  134    HA   VAL  17           HA       VAL  17  -1.457  -6.192   3.326
  135    HB   VAL  17           HB       VAL  17  -0.935  -4.483   0.937
  136   1HG1  VAL  17          1HG1      VAL  17  -0.462  -7.235   1.807
  137   2HG1  VAL  17          2HG1      VAL  17   0.451  -6.222   0.688
  138   3HG1  VAL  17          3HG1      VAL  17  -0.979  -7.088   0.127
  139   1HG2  VAL  17          1HG2      VAL  17  -2.754  -6.241  -0.079
  140   2HG2  VAL  17          2HG2      VAL  17  -3.080  -4.548   0.289
  141   3HG2  VAL  17          3HG2      VAL  17  -3.495  -5.800   1.459
  142    H    TYR  18           H        TYR  18   0.962  -5.508   2.370
  143    HA   TYR  18           HA       TYR  18   1.782  -2.985   3.556
  144   1HB   TYR  18          2HB       TYR  18   1.959  -4.542   5.432
  145   2HB   TYR  18          1HB       TYR  18   2.903  -5.654   4.448
  146    HD1  TYR  18           1HD      TYR  18   3.142  -1.957   4.988
  147    HD2  TYR  18           2HD      TYR  18   5.058  -5.746   5.277
  148    HE1  TYR  18           1HE      TYR  18   5.217  -0.847   5.703
  149    HE2  TYR  18           2HE      TYR  18   7.136  -4.646   5.995
  150    HH   TYR  18           HH       TYR  18   7.415  -1.855   7.227
  151    H    CYS  19           H        CYS  19   3.355  -2.060   2.432
  152    HA   CYS  19           HA       CYS  19   4.288  -3.267   0.014
  153   1HB   CYS  19          2HB       CYS  19   4.780  -0.680   1.412
  154   2HB   CYS  19          1HB       CYS  19   5.679  -1.089  -0.042
  155    H    CYS  20           H        CYS  20   6.739  -2.824  -0.487
  156    HA   CYS  20           HA       CYS  20   8.211  -4.617   1.163
  157   1HB   CYS  20          2HB       CYS  20   9.511  -2.773  -0.811
  158   2HB   CYS  20          1HB       CYS  20   9.914  -4.441  -0.428
  159    HA   PRO  21           HA       PRO  21   9.797  -1.959   4.277
  160   1HB   PRO  21          2HB       PRO  21  12.520  -2.856   3.472
  161   2HB   PRO  21          1HB       PRO  21  11.764  -2.783   5.069
  162   1HG   PRO  21          2HG       PRO  21  12.010  -5.115   3.793
  163   2HG   PRO  21          1HG       PRO  21  10.552  -4.741   4.732
  164   1HD   PRO  21          2HD       PRO  21  10.954  -4.741   1.773
  165   2HD   PRO  21          1HD       PRO  21   9.515  -5.180   2.713
  166    H    GLY  22           H        GLY  22   9.644   0.053   3.867
  167   1HA   GLY  22          2HA       GLY  22  11.136   2.039   3.476
  168   2HA   GLY  22          1HA       GLY  22  11.452   1.310   1.909
  169    H    LEU  23           H        LEU  23   8.695   0.416   1.514
  170    HA   LEU  23           HA       LEU  23   7.541   3.031   0.831
  171   1HB   LEU  23          2HB       LEU  23   6.919   0.301  -0.298
  172   2HB   LEU  23          1HB       LEU  23   6.288   1.830  -0.878
  173    HG   LEU  23           HG       LEU  23   9.208   1.068  -0.943
  174   1HD1  LEU  23          1HD1      LEU  23   8.898   0.023  -2.880
  175   2HD1  LEU  23          2HD1      LEU  23   7.872   1.318  -3.497
  176   3HD1  LEU  23          3HD1      LEU  23   7.173   0.032  -2.512
  177   1HD2  LEU  23          1HD2      LEU  23   8.056   3.166  -2.679
  178   2HD2  LEU  23          2HD2      LEU  23   9.636   3.075  -1.901
  179   3HD2  LEU  23          3HD2      LEU  23   8.220   3.554  -0.967
  180    H    ILE  24           H        ILE  24   5.376   3.489   1.281
  181    HA   ILE  24           HA       ILE  24   3.961   1.546   2.988
  182    HB   ILE  24           HB       ILE  24   3.125   3.485   4.371
  183   1HG1  ILE  24          2HG1      ILE  24   5.494   4.900   3.123
  184   2HG1  ILE  24          1HG1      ILE  24   3.805   5.278   2.802
  185   1HG2  ILE  24          1HG2      ILE  24   5.739   2.192   4.448
  186   2HG2  ILE  24          2HG2      ILE  24   4.529   2.387   5.717
  187   3HG2  ILE  24          3HG2      ILE  24   5.665   3.693   5.371
  188   1HD1  ILE  24          1HD1      ILE  24   5.065   5.448   5.526
  189   2HD1  ILE  24          2HD1      ILE  24   3.479   6.040   5.034
  190   3HD1  ILE  24          3HD1      ILE  24   4.939   6.805   4.408
  191    H    CYS  25           H        CYS  25   1.843   1.311   2.544
  192    HA   CYS  25           HA       CYS  25   0.759   2.468   0.202
  193   1HB   CYS  25          2HB       CYS  25  -0.423   0.781   2.392
  194   2HB   CYS  25          1HB       CYS  25  -1.421   1.418   1.091
  195    H    GLY  26           H        GLY  26  -0.699   4.063  -0.130
  196   1HA   GLY  26          2HA       GLY  26  -1.706   5.538   2.206
  197   2HA   GLY  26          1HA       GLY  26  -0.846   6.396   0.937
  198    HA   PRO  27           HA       PRO  27  -4.941   7.031  -0.727
  199   1HB   PRO  27          2HB       PRO  27  -4.200   8.328  -2.989
  200   2HB   PRO  27          1HB       PRO  27  -4.186   9.090  -1.395
  201   1HG   PRO  27          2HG       PRO  27  -1.919   7.901  -2.948
  202   2HG   PRO  27          1HG       PRO  27  -1.970   9.412  -2.022
  203   1HD   PRO  27          2HD       PRO  27  -0.859   7.137  -1.054
  204   2HD   PRO  27          1HD       PRO  27  -1.647   8.338  -0.011
  205    H    PHE  28           H        PHE  28  -4.552   4.516  -0.988
  206    HA   PHE  28           HA       PHE  28  -5.029   2.660  -2.173
  207   1HB   PHE  28          2HB       PHE  28  -6.012   4.670  -4.223
  208   2HB   PHE  28          1HB       PHE  28  -6.139   2.929  -4.453
  209    HD1  PHE  28           1HD      PHE  28  -8.229   2.119  -4.088
  210    HD2  PHE  28           2HD      PHE  28  -6.834   5.312  -1.643
  211    HE1  PHE  28           1HE      PHE  28 -10.360   2.106  -2.861
  212    HE2  PHE  28           2HE      PHE  28  -8.962   5.301  -0.409
  213    HZ   PHE  28           HZ       PHE  28 -10.728   3.697  -1.017
  214    H    VAL  29           H        VAL  29  -2.452   4.260  -2.475
  215    HA   VAL  29           HA       VAL  29  -1.215   2.418  -4.342
  216    HB   VAL  29           HB       VAL  29   0.135   4.228  -5.443
  217   1HG1  VAL  29          1HG1      VAL  29  -2.057   3.170  -6.369
  218   2HG1  VAL  29          2HG1      VAL  29  -1.338   4.562  -7.181
  219   3HG1  VAL  29          3HG1      VAL  29  -2.724   4.783  -6.112
  220   1HG2  VAL  29          1HG2      VAL  29  -0.081   6.065  -3.979
  221   2HG2  VAL  29          2HG2      VAL  29  -1.843   6.010  -4.037
  222   3HG2  VAL  29          3HG2      VAL  29  -0.929   6.532  -5.453
  223    H    CYS  30           H        CYS  30   1.181   2.506  -4.008
  224    HA   CYS  30           HA       CYS  30   1.704   3.072  -1.205
  225   1HB   CYS  30          2HB       CYS  30   2.356   0.931  -2.586
  226   2HB   CYS  30          1HB       CYS  30   3.727   1.914  -3.084
  227    H    VAL  31           H        VAL  31   3.629   4.250  -0.536
  228    HA   VAL  31           HA       VAL  31   4.760   6.026  -2.567
  229    HB   VAL  31           HB       VAL  31   4.555   7.986  -1.039
  230   1HG1  VAL  31          1HG1      VAL  31   1.804   7.805  -1.257
  231   2HG1  VAL  31          2HG1      VAL  31   2.404   6.737  -2.526
  232   3HG1  VAL  31          3HG1      VAL  31   2.916   8.424  -2.479
  233   1HG2  VAL  31          1HG2      VAL  31   3.040   6.012   0.607
  234   2HG2  VAL  31          2HG2      VAL  31   2.592   7.717   0.659
  235   3HG2  VAL  31          3HG2      VAL  31   4.224   7.220   1.106
  Start of MODEL   11
    1   1H    ALA   1          1HT       ALA   1   4.614 -10.001   1.655
    2   2H    ALA   1          2HT       ALA   1   5.798 -11.031   1.019
    3   3H    ALA   1          3HT       ALA   1   4.168 -11.482   0.967
    4    HA   ALA   1           HA       ALA   1   5.552 -10.257  -1.019
    5   1HB   ALA   1          1HB       ALA   1   3.668 -11.472  -1.613
    6   2HB   ALA   1          2HB       ALA   1   3.150  -9.810  -1.893
    7   3HB   ALA   1          3HB       ALA   1   2.644 -10.657  -0.432
    8    H    CYS   2           H        CYS   2   5.309  -8.197  -2.070
    9    HA   CYS   2           HA       CYS   2   4.169  -6.000  -0.536
   10   1HB   CYS   2          2HB       CYS   2   6.225  -4.721  -0.495
   11   2HB   CYS   2          1HB       CYS   2   6.440  -6.219   0.391
   12    H    SER   3           H        SER   3   3.309  -4.559  -1.872
   13    HA   SER   3           HA       SER   3   3.576  -4.956  -4.716
   14   1HB   SER   3          2HB       SER   3   1.888  -2.973  -3.171
   15   2HB   SER   3          1HB       SER   3   1.733  -3.357  -4.887
   16    HG   SER   3           HG       SER   3   1.094  -5.427  -4.345
   17    H    LYS   4           H        LYS   4   4.073  -3.283  -6.217
   18    HA   LYS   4           HA       LYS   4   6.341  -1.736  -5.500
   19   1HB   LYS   4          2HB       LYS   4   4.690  -2.064  -7.960
   20   2HB   LYS   4          1HB       LYS   4   5.703  -0.631  -7.846
   21   1HG   LYS   4          2HG       LYS   4   6.893  -2.344  -9.026
   22   2HG   LYS   4          1HG       LYS   4   7.663  -2.085  -7.462
   23   1HD   LYS   4          2HD       LYS   4   7.577  -4.318  -7.271
   24   2HD   LYS   4          1HD       LYS   4   5.872  -4.071  -6.891
   25   1HE   LYS   4          2HE       LYS   4   6.972  -4.571  -9.656
   26   2HE   LYS   4          1HE       LYS   4   6.255  -5.803  -8.621
   27   1HZ   LYS   4          1HZ       LYS   4   4.890  -3.423  -9.755
   28   2HZ   LYS   4          2HZ       LYS   4   4.188  -4.462  -8.623
   29   3HZ   LYS   4          3HZ       LYS   4   4.618  -5.043 -10.154
   30    H    LYS   5           H        LYS   5   6.516   0.623  -5.740
   31    HA   LYS   5           HA       LYS   5   4.855   1.958  -4.016
   32   1HB   LYS   5          2HB       LYS   5   6.971   2.913  -4.453
   33   2HB   LYS   5          1HB       LYS   5   6.661   2.999  -6.183
   34   1HG   LYS   5          2HG       LYS   5   5.330   4.868  -5.985
   35   2HG   LYS   5          1HG       LYS   5   4.926   4.528  -4.318
   36   1HD   LYS   5          2HD       LYS   5   7.139   5.180  -3.605
   37   2HD   LYS   5          1HD       LYS   5   7.634   5.412  -5.284
   38   1HE   LYS   5          2HE       LYS   5   6.424   7.345  -5.520
   39   2HE   LYS   5          1HE       LYS   5   5.245   6.887  -4.294
   40   1HZ   LYS   5          1HZ       LYS   5   7.035   7.221  -2.611
   41   2HZ   LYS   5          2HZ       LYS   5   6.572   8.639  -3.419
   42   3HZ   LYS   5          3HZ       LYS   5   8.013   7.862  -3.840
   43    H    TRP   6           H        TRP   6   4.811   2.537  -7.516
   44    HA   TRP   6           HA       TRP   6   2.268   3.836  -7.237
   45   1HB   TRP   6          2HB       TRP   6   3.643   3.189  -9.840
   46   2HB   TRP   6          1HB       TRP   6   2.511   4.494  -9.494
   47    HD1  TRP   6           HD       TRP   6   6.169   3.483  -8.860
   48    HE1  TRP   6           1HE      TRP   6   7.538   5.598  -8.364
   49    HE3  TRP   6           3HE      TRP   6   2.356   6.870  -8.580
   50    HZ2  TRP   6           2HZ      TRP   6   7.065   8.337  -7.895
   51    HZ3  TRP   6           3HZ      TRP   6   2.897   9.218  -8.095
   52    HH2  TRP   6           HH       TRP   6   5.205   9.935  -7.753
   53    H    GLU   7           H        GLU   7   2.404   1.041  -6.515
   54    HA   GLU   7           HA       GLU   7   1.054  -0.436  -8.624
   55   1HB   GLU   7          2HB       GLU   7   2.523  -1.256  -6.546
   56   2HB   GLU   7          1HB       GLU   7   0.942  -1.333  -5.785
   57   1HG   GLU   7          2HG       GLU   7   0.934  -3.416  -6.595
   58   2HG   GLU   7          1HG       GLU   7   0.436  -2.629  -8.095
   59    H    TYR   8           H        TYR   8  -0.534  -1.395  -5.986
   60    HA   TYR   8           HA       TYR   8  -2.560   0.613  -5.719
   61   1HB   TYR   8          2HB       TYR   8  -3.259  -0.378  -7.862
   62   2HB   TYR   8          1HB       TYR   8  -3.221  -1.984  -7.146
   63    HD1  TYR   8           1HD      TYR   8  -4.759   1.329  -6.307
   64    HD2  TYR   8           2HD      TYR   8  -5.291  -2.874  -6.689
   65    HE1  TYR   8           1HE      TYR   8  -7.111   1.572  -5.638
   66    HE2  TYR   8           2HE      TYR   8  -7.646  -2.641  -6.021
   67    HH   TYR   8           HH       TYR   8  -9.163   0.474  -5.689
   68    H    CYS   9           H        CYS   9  -3.533   0.366  -3.766
   69    HA   CYS   9           HA       CYS   9  -3.755  -2.209  -2.503
   70   1HB   CYS   9          2HB       CYS   9  -2.389  -1.482  -0.493
   71   2HB   CYS   9          1HB       CYS   9  -1.468  -1.875  -1.940
   72    H    ILE  10           H        ILE  10  -5.292  -2.232  -0.939
   73    HA   ILE  10           HA       ILE  10  -6.451   0.356  -0.172
   74    HB   ILE  10           HB       ILE  10  -7.959  -0.646  -1.740
   75   1HG1  ILE  10          2HG1      ILE  10  -9.999  -0.934  -0.370
   76   2HG1  ILE  10          1HG1      ILE  10  -8.997  -1.058   1.072
   77   1HG2  ILE  10          1HG2      ILE  10  -7.393  -2.899  -1.852
   78   2HG2  ILE  10          2HG2      ILE  10  -9.019  -2.901  -1.170
   79   3HG2  ILE  10          3HG2      ILE  10  -7.622  -3.142  -0.120
   80   1HD1  ILE  10          1HD1      ILE  10 -10.142   1.219   0.185
   81   2HD1  ILE  10          2HD1      ILE  10  -8.541   1.345  -0.543
   82   3HD1  ILE  10          3HD1      ILE  10  -8.702   1.156   1.203
   83    H    VAL  11           H        VAL  11  -4.948   0.131   1.618
   84    HA   VAL  11           HA       VAL  11  -5.391  -1.957   3.547
   85    HB   VAL  11           HB       VAL  11  -3.764  -0.728   4.951
   86   1HG1  VAL  11          1HG1      VAL  11  -3.280  -1.803   2.295
   87   2HG1  VAL  11          2HG1      VAL  11  -2.418  -2.090   3.808
   88   3HG1  VAL  11          3HG1      VAL  11  -2.016  -0.688   2.816
   89   1HG2  VAL  11          1HG2      VAL  11  -3.709   1.234   2.656
   90   2HG2  VAL  11          2HG2      VAL  11  -2.586   1.217   4.016
   91   3HG2  VAL  11          3HG2      VAL  11  -4.296   1.553   4.289
   92    HA   PRO  12           HA       PRO  12  -8.698  -0.109   5.804
   93   1HB   PRO  12          2HB       PRO  12  -8.070  -1.061   8.316
   94   2HB   PRO  12          1HB       PRO  12  -8.922  -1.988   7.078
   95   1HG   PRO  12          2HG       PRO  12  -6.034  -2.046   7.839
   96   2HG   PRO  12          1HG       PRO  12  -7.109  -3.388   7.404
   97   1HD   PRO  12          2HD       PRO  12  -5.316  -2.386   5.667
   98   2HD   PRO  12          1HD       PRO  12  -6.902  -2.982   5.135
   99    H    ILE  13           H        ILE  13  -9.057   1.757   6.853
  100    HA   ILE  13           HA       ILE  13  -7.092   3.668   7.222
  101    HB   ILE  13           HB       ILE  13  -9.761   3.592   8.639
  102   1HG1  ILE  13          2HG1      ILE  13  -9.067   4.719   5.915
  103   2HG1  ILE  13          1HG1      ILE  13  -9.963   3.230   6.194
  104   1HG2  ILE  13          1HG2      ILE  13  -8.153   5.989   7.776
  105   2HG2  ILE  13          2HG2      ILE  13  -8.089   5.303   9.399
  106   3HG2  ILE  13          3HG2      ILE  13  -9.601   5.965   8.780
  107   1HD1  ILE  13          1HD1      ILE  13 -10.821   6.050   6.505
  108   2HD1  ILE  13          2HD1      ILE  13 -11.528   4.837   7.573
  109   3HD1  ILE  13          3HD1      ILE  13 -11.682   4.669   5.825
  110    H    LEU  14           H        LEU  14  -8.235   1.248   9.440
  111    HA   LEU  14           HA       LEU  14  -7.377   2.320  11.871
  112   1HB   LEU  14          2HB       LEU  14  -7.615  -0.546  10.963
  113   2HB   LEU  14          1HB       LEU  14  -7.220  -0.094  12.608
  114    HG   LEU  14           HG       LEU  14  -9.520  -0.599  12.611
  115   1HD1  LEU  14          1HD1      LEU  14  -8.618   1.863  13.361
  116   2HD1  LEU  14          2HD1      LEU  14 -10.203   1.192  13.746
  117   3HD1  LEU  14          3HD1      LEU  14 -10.012   2.263  12.358
  118   1HD2  LEU  14          1HD2      LEU  14  -9.543  -0.097   9.972
  119   2HD2  LEU  14          2HD2      LEU  14 -10.353   1.352  10.565
  120   3HD2  LEU  14          3HD2      LEU  14 -11.003  -0.240  10.952
  121    H    GLY  15           H        GLY  15  -5.601   0.779   9.298
  122   1HA   GLY  15          2HA       GLY  15  -3.206   1.541   9.291
  123   2HA   GLY  15          1HA       GLY  15  -3.152   0.936  10.941
  124    H    PHE  16           H        PHE  16  -2.086   0.236   8.023
  125    HA   PHE  16           HA       PHE  16  -1.532  -2.474   8.584
  126   1HB   PHE  16          2HB       PHE  16  -3.928  -2.709   7.919
  127   2HB   PHE  16          1HB       PHE  16  -3.529  -2.020   6.351
  128    HD1  PHE  16           1HD      PHE  16  -1.851  -4.601   8.463
  129    HD2  PHE  16           2HD      PHE  16  -3.709  -3.655   4.752
  130    HE1  PHE  16           1HE      PHE  16  -1.308  -6.849   7.622
  131    HE2  PHE  16           2HE      PHE  16  -3.170  -5.900   3.905
  132    HZ   PHE  16           HZ       PHE  16  -1.968  -7.500   5.340
  133    H    VAL  17           H        VAL  17   0.196  -3.123   7.387
  134    HA   VAL  17           HA       VAL  17   1.078  -1.291   5.259
  135    HB   VAL  17           HB       VAL  17   2.967  -3.294   6.384
  136   1HG1  VAL  17          1HG1      VAL  17   4.267  -2.069   5.061
  137   2HG1  VAL  17          2HG1      VAL  17   4.172  -0.811   6.293
  138   3HG1  VAL  17          3HG1      VAL  17   3.057  -0.793   4.927
  139   1HG2  VAL  17          1HG2      VAL  17   3.501  -1.370   8.131
  140   2HG2  VAL  17          2HG2      VAL  17   2.367  -2.671   8.495
  141   3HG2  VAL  17          3HG2      VAL  17   1.765  -1.096   7.979
  142    H    TYR  18           H        TYR  18   2.760  -2.730   3.813
  143    HA   TYR  18           HA       TYR  18   2.192  -5.389   3.243
  144   1HB   TYR  18          2HB       TYR  18  -0.061  -4.435   2.595
  145   2HB   TYR  18          1HB       TYR  18   0.758  -3.554   1.308
  146    HD1  TYR  18           1HD      TYR  18   1.093  -7.053   2.572
  147    HD2  TYR  18           2HD      TYR  18   0.218  -4.518  -0.729
  148    HE1  TYR  18           1HE      TYR  18   0.921  -9.025   1.114
  149    HE2  TYR  18           2HE      TYR  18   0.040  -6.484  -2.197
  150    HH   TYR  18           HH       TYR  18  -0.393  -8.888  -2.017
  151    H    CYS  19           H        CYS  19   3.012  -2.229   1.959
  152    HA   CYS  19           HA       CYS  19   4.497  -2.973  -0.283
  153   1HB   CYS  19          2HB       CYS  19   4.764  -0.670   1.603
  154   2HB   CYS  19          1HB       CYS  19   5.648  -0.758   0.087
  155    H    CYS  20           H        CYS  20   6.827  -2.859  -0.586
  156    HA   CYS  20           HA       CYS  20   8.228  -4.598   1.124
  157   1HB   CYS  20          2HB       CYS  20   9.589  -2.640  -0.715
  158   2HB   CYS  20          1HB       CYS  20  10.089  -4.270  -0.294
  159    HA   PRO  21           HA       PRO  21   9.670  -2.048   4.415
  160   1HB   PRO  21          2HB       PRO  21  12.430  -2.925   3.735
  161   2HB   PRO  21          1HB       PRO  21  11.578  -2.932   5.284
  162   1HG   PRO  21          2HG       PRO  21  11.913  -5.196   3.905
  163   2HG   PRO  21          1HG       PRO  21  10.404  -4.876   4.782
  164   1HD   PRO  21          2HD       PRO  21  10.967  -4.719   1.853
  165   2HD   PRO  21          1HD       PRO  21   9.485  -5.220   2.689
  166    H    GLY  22           H        GLY  22   9.596  -0.005   4.101
  167   1HA   GLY  22          2HA       GLY  22  11.101   1.972   3.832
  168   2HA   GLY  22          1HA       GLY  22  11.517   1.281   2.270
  169    H    LEU  23           H        LEU  23   8.826   0.420   1.624
  170    HA   LEU  23           HA       LEU  23   7.733   3.034   0.889
  171   1HB   LEU  23          2HB       LEU  23   7.159   0.269  -0.190
  172   2HB   LEU  23          1HB       LEU  23   6.412   1.743  -0.769
  173    HG   LEU  23           HG       LEU  23   8.801   2.512  -1.341
  174   1HD1  LEU  23          1HD1      LEU  23   9.851   0.630  -0.016
  175   2HD1  LEU  23          2HD1      LEU  23  10.473   0.876  -1.648
  176   3HD1  LEU  23          3HD1      LEU  23   9.349  -0.443  -1.323
  177   1HD2  LEU  23          1HD2      LEU  23   7.448   2.120  -3.160
  178   2HD2  LEU  23          2HD2      LEU  23   7.198   0.425  -2.743
  179   3HD2  LEU  23          3HD2      LEU  23   8.740   0.949  -3.418
  180    H    ILE  24           H        ILE  24   5.526   3.530   1.232
  181    HA   ILE  24           HA       ILE  24   4.094   1.668   3.012
  182    HB   ILE  24           HB       ILE  24   3.213   3.672   4.266
  183   1HG1  ILE  24          2HG1      ILE  24   5.604   5.030   2.998
  184   2HG1  ILE  24          1HG1      ILE  24   3.922   5.381   2.618
  185   1HG2  ILE  24          1HG2      ILE  24   5.828   2.396   4.468
  186   2HG2  ILE  24          2HG2      ILE  24   4.591   2.655   5.698
  187   3HG2  ILE  24          3HG2      ILE  24   5.730   3.945   5.308
  188   1HD1  ILE  24          1HD1      ILE  24   5.357   6.797   4.359
  189   2HD1  ILE  24          2HD1      ILE  24   4.699   5.582   5.456
  190   3HD1  ILE  24          3HD1      ILE  24   3.611   6.586   4.498
  191    H    CYS  25           H        CYS  25   2.015   1.353   2.540
  192    HA   CYS  25           HA       CYS  25   0.906   2.438   0.159
  193   1HB   CYS  25          2HB       CYS  25   0.336   0.183   0.948
  194   2HB   CYS  25          1HB       CYS  25  -0.428   0.868   2.377
  195    H    GLY  26           H        GLY  26  -0.740   3.943  -0.127
  196   1HA   GLY  26          2HA       GLY  26  -1.746   5.337   2.248
  197   2HA   GLY  26          1HA       GLY  26  -0.867   6.272   1.048
  198    HA   PRO  27           HA       PRO  27  -4.894   7.007  -0.701
  199   1HB   PRO  27          2HB       PRO  27  -3.479   8.119  -3.011
  200   2HB   PRO  27          1HB       PRO  27  -4.510   8.934  -1.832
  201   1HG   PRO  27          2HG       PRO  27  -1.843   9.323  -1.919
  202   2HG   PRO  27          1HG       PRO  27  -2.758   9.368  -0.402
  203   1HD   PRO  27          2HD       PRO  27  -1.080   7.157  -1.537
  204   2HD   PRO  27          1HD       PRO  27  -1.177   7.752   0.135
  205    H    PHE  28           H        PHE  28  -4.545   4.482  -0.986
  206    HA   PHE  28           HA       PHE  28  -5.055   2.653  -2.202
  207   1HB   PHE  28          2HB       PHE  28  -5.943   4.699  -4.267
  208   2HB   PHE  28          1HB       PHE  28  -6.116   2.963  -4.494
  209    HD1  PHE  28           1HD      PHE  28  -8.275   2.301  -4.264
  210    HD2  PHE  28           2HD      PHE  28  -6.776   5.293  -1.635
  211    HE1  PHE  28           1HE      PHE  28 -10.444   2.366  -3.107
  212    HE2  PHE  28           2HE      PHE  28  -8.941   5.360  -0.470
  213    HZ   PHE  28           HZ       PHE  28 -10.779   3.895  -1.206
  214    H    VAL  29           H        VAL  29  -2.448   4.271  -2.469
  215    HA   VAL  29           HA       VAL  29  -1.197   2.424  -4.320
  216    HB   VAL  29           HB       VAL  29   0.129   4.221  -5.448
  217   1HG1  VAL  29          1HG1      VAL  29  -2.735   3.749  -5.899
  218   2HG1  VAL  29          2HG1      VAL  29  -1.367   3.606  -7.002
  219   3HG1  VAL  29          3HG1      VAL  29  -2.079   5.187  -6.681
  220   1HG2  VAL  29          1HG2      VAL  29  -0.853   5.880  -3.519
  221   2HG2  VAL  29          2HG2      VAL  29  -1.844   6.323  -4.908
  222   3HG2  VAL  29          3HG2      VAL  29  -0.085   6.412  -5.015
  223    H    CYS  30           H        CYS  30   1.183   2.536  -4.042
  224    HA   CYS  30           HA       CYS  30   1.793   3.091  -1.255
  225   1HB   CYS  30          2HB       CYS  30   2.415   0.945  -2.603
  226   2HB   CYS  30          1HB       CYS  30   3.715   1.935  -3.253
  227    H    VAL  31           H        VAL  31   3.721   4.297  -0.655
  228    HA   VAL  31           HA       VAL  31   4.755   6.078  -2.737
  229    HB   VAL  31           HB       VAL  31   4.611   8.030  -1.177
  230   1HG1  VAL  31          1HG1      VAL  31   1.869   7.889  -1.317
  231   2HG1  VAL  31          2HG1      VAL  31   2.392   6.775  -2.581
  232   3HG1  VAL  31          3HG1      VAL  31   2.944   8.450  -2.598
  233   1HG2  VAL  31          1HG2      VAL  31   3.000   7.940   0.684
  234   2HG2  VAL  31          2HG2      VAL  31   4.371   6.858   0.929
  235   3HG2  VAL  31          3HG2      VAL  31   2.815   6.207   0.418
  Start of MODEL   12
    1   1H    ALA   1          1HT       ALA   1   5.505 -11.799   0.531
    2   2H    ALA   1          2HT       ALA   1   5.902 -10.311   1.235
    3   3H    ALA   1          3HT       ALA   1   6.980 -11.055   0.164
    4    HA   ALA   1           HA       ALA   1   5.967 -10.271  -1.630
    5   1HB   ALA   1          1HB       ALA   1   3.201 -10.189  -0.618
    6   2HB   ALA   1          2HB       ALA   1   3.937 -11.790  -0.687
    7   3HB   ALA   1          3HB       ALA   1   3.835 -10.804  -2.145
    8    H    CYS   2           H        CYS   2   5.554  -8.175  -2.305
    9    HA   CYS   2           HA       CYS   2   4.524  -6.222  -0.416
   10   1HB   CYS   2          2HB       CYS   2   6.483  -4.786  -0.564
   11   2HB   CYS   2          1HB       CYS   2   6.913  -6.328   0.150
   12    H    SER   3           H        SER   3   3.475  -4.622  -1.437
   13    HA   SER   3           HA       SER   3   3.083  -4.836  -4.257
   14   1HB   SER   3          2HB       SER   3   2.084  -2.716  -2.341
   15   2HB   SER   3          1HB       SER   3   1.453  -3.051  -3.953
   16    HG   SER   3           HG       SER   3   0.579  -4.910  -3.246
   17    H    LYS   4           H        LYS   4   3.568  -3.336  -5.856
   18    HA   LYS   4           HA       LYS   4   6.041  -1.961  -5.613
   19   1HB   LYS   4          2HB       LYS   4   3.912  -1.688  -7.750
   20   2HB   LYS   4          1HB       LYS   4   5.578  -1.149  -7.884
   21   1HG   LYS   4          2HG       LYS   4   6.369  -3.236  -8.274
   22   2HG   LYS   4          1HG       LYS   4   5.144  -4.010  -7.265
   23   1HD   LYS   4          2HD       LYS   4   4.848  -4.543  -9.647
   24   2HD   LYS   4          1HD       LYS   4   3.468  -3.661  -8.992
   25   1HE   LYS   4          2HE       LYS   4   4.521  -1.564  -9.920
   26   2HE   LYS   4          1HE       LYS   4   5.671  -2.607 -10.756
   27   1HZ   LYS   4          1HZ       LYS   4   3.789  -3.687 -11.862
   28   2HZ   LYS   4          2HZ       LYS   4   3.838  -2.032 -12.201
   29   3HZ   LYS   4          3HZ       LYS   4   2.711  -2.633 -11.084
   30    H    LYS   5           H        LYS   5   6.414   0.312  -5.593
   31    HA   LYS   5           HA       LYS   5   4.868   1.782  -3.871
   32   1HB   LYS   5          2HB       LYS   5   7.081   2.530  -4.247
   33   2HB   LYS   5          1HB       LYS   5   6.810   2.699  -5.977
   34   1HG   LYS   5          2HG       LYS   5   5.645   4.678  -5.737
   35   2HG   LYS   5          1HG       LYS   5   5.203   4.333  -4.080
   36   1HD   LYS   5          2HD       LYS   5   7.453   4.774  -3.338
   37   2HD   LYS   5          1HD       LYS   5   7.994   4.974  -5.007
   38   1HE   LYS   5          2HE       LYS   5   6.969   7.015  -5.242
   39   2HE   LYS   5          1HE       LYS   5   5.749   6.667  -4.018
   40   1HZ   LYS   5          1HZ       LYS   5   7.400   6.945  -2.297
   41   2HZ   LYS   5          2HZ       LYS   5   7.380   8.325  -3.283
   42   3HZ   LYS   5          3HZ       LYS   5   8.621   7.190  -3.450
   43    H    TRP   6           H        TRP   6   4.985   2.517  -7.344
   44    HA   TRP   6           HA       TRP   6   2.546   4.012  -7.075
   45   1HB   TRP   6          2HB       TRP   6   3.942   3.334  -9.664
   46   2HB   TRP   6          1HB       TRP   6   2.895   4.709  -9.316
   47    HD1  TRP   6           HD       TRP   6   6.458   3.428  -8.644
   48    HE1  TRP   6           1HE      TRP   6   7.953   5.427  -8.033
   49    HE3  TRP   6           3HE      TRP   6   2.871   7.045  -8.282
   50    HZ2  TRP   6           2HZ      TRP   6   7.649   8.169  -7.450
   51    HZ3  TRP   6           3HZ      TRP   6   3.551   9.329  -7.683
   52    HH2  TRP   6           HH       TRP   6   5.894   9.877  -7.269
   53    H    GLU   7           H        GLU   7   2.495   1.172  -6.498
   54    HA   GLU   7           HA       GLU   7   0.590   0.264  -8.573
   55   1HB   GLU   7          2HB       GLU   7   2.582  -1.208  -8.157
   56   2HB   GLU   7          1HB       GLU   7   2.022  -1.417  -6.505
   57   1HG   GLU   7          2HG       GLU   7   1.368  -3.324  -7.762
   58   2HG   GLU   7          1HG       GLU   7  -0.082  -2.382  -7.406
   59    H    TYR   8           H        TYR   8  -1.437  -0.525  -7.876
   60    HA   TYR   8           HA       TYR   8  -2.511   0.787  -5.613
   61   1HB   TYR   8          2HB       TYR   8  -4.012   0.305  -7.405
   62   2HB   TYR   8          1HB       TYR   8  -3.591  -1.404  -7.393
   63    HD1  TYR   8           1HD      TYR   8  -4.792   1.062  -4.836
   64    HD2  TYR   8           2HD      TYR   8  -5.301  -2.753  -6.649
   65    HE1  TYR   8           1HE      TYR   8  -6.662   0.594  -3.312
   66    HE2  TYR   8           2HE      TYR   8  -7.177  -3.229  -5.133
   67    HH   TYR   8           HH       TYR   8  -8.176  -0.882  -2.654
   68    H    CYS   9           H        CYS   9  -2.096   0.269  -3.574
   69    HA   CYS   9           HA       CYS   9  -1.284  -2.412  -2.878
   70   1HB   CYS   9          2HB       CYS   9  -1.270  -1.343  -0.510
   71   2HB   CYS   9          1HB       CYS   9  -0.054  -0.842  -1.679
   72    H    ILE  10           H        ILE  10  -2.697  -3.940  -2.501
   73    HA   ILE  10           HA       ILE  10  -5.471  -3.461  -2.200
   74    HB   ILE  10           HB       ILE  10  -4.049  -6.043  -1.545
   75   1HG1  ILE  10          2HG1      ILE  10  -5.013  -5.087  -4.253
   76   2HG1  ILE  10          1HG1      ILE  10  -3.325  -5.168  -3.759
   77   1HG2  ILE  10          1HG2      ILE  10  -6.817  -5.502  -2.617
   78   2HG2  ILE  10          2HG2      ILE  10  -6.432  -5.883  -0.938
   79   3HG2  ILE  10          3HG2      ILE  10  -6.142  -7.078  -2.202
   80   1HD1  ILE  10          1HD1      ILE  10  -5.210  -7.358  -4.453
   81   2HD1  ILE  10          2HD1      ILE  10  -3.907  -7.681  -3.308
   82   3HD1  ILE  10          3HD1      ILE  10  -3.531  -7.112  -4.934
   83    H    VAL  11           H        VAL  11  -6.681  -3.196  -0.424
   84    HA   VAL  11           HA       VAL  11  -5.446  -3.743   2.189
   85    HB   VAL  11           HB       VAL  11  -6.811  -1.745   3.031
   86   1HG1  VAL  11          1HG1      VAL  11  -4.523  -1.436   3.098
   87   2HG1  VAL  11          2HG1      VAL  11  -5.030  -0.128   2.030
   88   3HG1  VAL  11          3HG1      VAL  11  -4.343  -1.605   1.351
   89   1HG2  VAL  11          1HG2      VAL  11  -6.683  -0.135   0.759
   90   2HG2  VAL  11          2HG2      VAL  11  -8.139  -0.738   1.550
   91   3HG2  VAL  11          3HG2      VAL  11  -7.427  -1.637   0.210
   92    HA   PRO  12           HA       PRO  12  -9.594  -5.924   1.770
   93   1HB   PRO  12          2HB       PRO  12  -8.051  -8.092   3.052
   94   2HB   PRO  12          1HB       PRO  12  -9.114  -8.151   1.643
   95   1HG   PRO  12          2HG       PRO  12  -6.460  -8.343   1.382
   96   2HG   PRO  12          1HG       PRO  12  -7.446  -7.477   0.188
   97   1HD   PRO  12          2HD       PRO  12  -5.757  -6.380   2.409
   98   2HD   PRO  12          1HD       PRO  12  -5.936  -5.801   0.739
   99    H    ILE  13           H        ILE  13 -11.036  -6.243   3.422
  100    HA   ILE  13           HA       ILE  13 -10.664  -4.906   5.829
  101    HB   ILE  13           HB       ILE  13 -12.659  -7.107   5.259
  102   1HG1  ILE  13          2HG1      ILE  13 -12.793  -5.337   3.582
  103   2HG1  ILE  13          1HG1      ILE  13 -14.194  -5.274   4.646
  104   1HG2  ILE  13          1HG2      ILE  13 -13.778  -6.572   7.154
  105   2HG2  ILE  13          2HG2      ILE  13 -13.295  -4.877   7.092
  106   3HG2  ILE  13          3HG2      ILE  13 -12.164  -6.095   7.681
  107   1HD1  ILE  13          1HD1      ILE  13 -12.063  -3.589   5.617
  108   2HD1  ILE  13          2HD1      ILE  13 -13.738  -3.188   5.237
  109   3HD1  ILE  13          3HD1      ILE  13 -12.519  -3.178   3.963
  110    H    LEU  14           H        LEU  14  -9.430  -5.400   7.476
  111    HA   LEU  14           HA       LEU  14  -8.248  -6.498   9.055
  112   1HB   LEU  14          2HB       LEU  14 -10.577  -8.309   8.643
  113   2HB   LEU  14          1HB       LEU  14  -9.233  -8.896   9.602
  114    HG   LEU  14           HG       LEU  14  -9.498  -6.937  11.111
  115   1HD1  LEU  14          1HD1      LEU  14 -10.663  -5.184  10.417
  116   2HD1  LEU  14          2HD1      LEU  14 -12.126  -6.154  10.586
  117   3HD1  LEU  14          3HD1      LEU  14 -11.291  -6.081   9.034
  118   1HD2  LEU  14          1HD2      LEU  14 -11.376  -9.135  10.753
  119   2HD2  LEU  14          2HD2      LEU  14 -12.050  -7.781  11.658
  120   3HD2  LEU  14          3HD2      LEU  14 -10.567  -8.558  12.210
  121    H    GLY  15           H        GLY  15  -7.436  -6.768   6.285
  122   1HA   GLY  15          2HA       GLY  15  -5.462  -8.804   6.655
  123   2HA   GLY  15          1HA       GLY  15  -6.675  -9.286   5.477
  124    H    PHE  16           H        PHE  16  -5.351  -6.076   6.096
  125    HA   PHE  16           HA       PHE  16  -4.950  -5.586   3.327
  126   1HB   PHE  16          2HB       PHE  16  -3.827  -3.470   4.170
  127   2HB   PHE  16          1HB       PHE  16  -5.505  -3.701   4.642
  128    HD1  PHE  16           1HD      PHE  16  -2.024  -4.170   5.886
  129    HD2  PHE  16           2HD      PHE  16  -6.118  -3.543   6.862
  130    HE1  PHE  16           1HE      PHE  16  -1.408  -3.858   8.246
  131    HE2  PHE  16           2HE      PHE  16  -5.509  -3.229   9.225
  132    HZ   PHE  16           HZ       PHE  16  -3.152  -3.386   9.919
  133    H    VAL  17           H        VAL  17  -3.041  -5.339   2.168
  134    HA   VAL  17           HA       VAL  17  -0.884  -7.048   3.079
  135    HB   VAL  17           HB       VAL  17  -0.697  -5.489   0.536
  136   1HG1  VAL  17          1HG1      VAL  17   0.549  -7.796   1.713
  137   2HG1  VAL  17          2HG1      VAL  17   1.021  -6.872   0.287
  138   3HG1  VAL  17          3HG1      VAL  17  -0.132  -8.198   0.137
  139   1HG2  VAL  17          1HG2      VAL  17  -2.563  -7.817   0.968
  140   2HG2  VAL  17          2HG2      VAL  17  -2.046  -7.243  -0.618
  141   3HG2  VAL  17          3HG2      VAL  17  -2.987  -6.189   0.439
  142    H    TYR  18           H        TYR  18   1.366  -5.953   2.080
  143    HA   TYR  18           HA       TYR  18   1.646  -3.221   2.994
  144   1HB   TYR  18          2HB       TYR  18   1.880  -4.508   5.078
  145   2HB   TYR  18          1HB       TYR  18   3.131  -5.496   4.337
  146    HD1  TYR  18           1HD      TYR  18   2.599  -1.790   4.396
  147    HD2  TYR  18           2HD      TYR  18   5.127  -5.060   5.407
  148    HE1  TYR  18           1HE      TYR  18   4.315  -0.213   5.184
  149    HE2  TYR  18           2HE      TYR  18   6.848  -3.492   6.198
  150    HH   TYR  18           HH       TYR  18   6.792  -1.009   7.123
  151    H    CYS  19           H        CYS  19   3.362  -2.190   2.079
  152    HA   CYS  19           HA       CYS  19   4.565  -3.411  -0.210
  153   1HB   CYS  19          2HB       CYS  19   4.913  -0.773   1.167
  154   2HB   CYS  19          1HB       CYS  19   5.819  -1.187  -0.280
  155    H    CYS  20           H        CYS  20   7.023  -3.019  -0.526
  156    HA   CYS  20           HA       CYS  20   8.365  -4.632   1.383
  157   1HB   CYS  20          2HB       CYS  20   9.069  -3.328  -1.159
  158   2HB   CYS  20          1HB       CYS  20  10.406  -3.532  -0.042
  159    HA   PRO  21           HA       PRO  21   9.790  -1.794   4.379
  160   1HB   PRO  21          2HB       PRO  21  12.576  -2.618   3.745
  161   2HB   PRO  21          1HB       PRO  21  11.726  -2.550   5.294
  162   1HG   PRO  21          2HG       PRO  21  12.136  -4.895   4.080
  163   2HG   PRO  21          1HG       PRO  21  10.610  -4.563   4.920
  164   1HD   PRO  21          2HD       PRO  21  11.197  -4.551   1.987
  165   2HD   PRO  21          1HD       PRO  21   9.736  -5.089   2.828
  166    H    GLY  22           H        GLY  22   9.588   0.189   3.871
  167   1HA   GLY  22          2HA       GLY  22  11.058   2.194   3.435
  168   2HA   GLY  22          1HA       GLY  22  11.405   1.413   1.901
  169    H    LEU  23           H        LEU  23   8.691   0.440   1.481
  170    HA   LEU  23           HA       LEU  23   7.471   3.002   0.720
  171   1HB   LEU  23          2HB       LEU  23   6.895   0.230  -0.328
  172   2HB   LEU  23          1HB       LEU  23   6.281   1.739  -0.976
  173    HG   LEU  23           HG       LEU  23   9.189   0.931  -0.967
  174   1HD1  LEU  23          1HD1      LEU  23   7.221   0.969  -3.248
  175   2HD1  LEU  23          2HD1      LEU  23   7.799  -0.482  -2.429
  176   3HD1  LEU  23          3HD1      LEU  23   8.928   0.529  -3.332
  177   1HD2  LEU  23          1HD2      LEU  23   8.793   2.874  -2.876
  178   2HD2  LEU  23          2HD2      LEU  23   9.510   3.117  -1.283
  179   3HD2  LEU  23          3HD2      LEU  23   7.790   3.420  -1.531
  180    H    ILE  24           H        ILE  24   5.397   3.509   1.323
  181    HA   ILE  24           HA       ILE  24   4.004   1.535   3.018
  182    HB   ILE  24           HB       ILE  24   3.145   3.473   4.377
  183   1HG1  ILE  24          2HG1      ILE  24   5.443   4.934   3.051
  184   2HG1  ILE  24          1HG1      ILE  24   3.737   5.252   2.754
  185   1HG2  ILE  24          1HG2      ILE  24   4.878   3.312   5.898
  186   2HG2  ILE  24          2HG2      ILE  24   6.117   3.303   4.643
  187   3HG2  ILE  24          3HG2      ILE  24   5.116   1.874   4.905
  188   1HD1  ILE  24          1HD1      ILE  24   3.958   5.457   5.491
  189   2HD1  ILE  24          2HD1      ILE  24   3.901   6.793   4.341
  190   3HD1  ILE  24          3HD1      ILE  24   5.456   6.172   4.895
  191    H    CYS  25           H        CYS  25   1.910   1.218   2.612
  192    HA   CYS  25           HA       CYS  25   0.715   2.220   0.264
  193   1HB   CYS  25          2HB       CYS  25   0.105   0.054   1.227
  194   2HB   CYS  25          1HB       CYS  25  -0.557   0.854   2.647
  195    H    GLY  26           H        GLY  26  -0.759   3.835  -0.110
  196   1HA   GLY  26          2HA       GLY  26  -1.698   5.397   2.195
  197   2HA   GLY  26          1HA       GLY  26  -0.811   6.213   0.916
  198    HA   PRO  27           HA       PRO  27  -4.926   6.965  -0.675
  199   1HB   PRO  27          2HB       PRO  27  -3.558   8.248  -2.921
  200   2HB   PRO  27          1HB       PRO  27  -4.604   8.964  -1.694
  201   1HG   PRO  27          2HG       PRO  27  -1.950   9.438  -1.773
  202   2HG   PRO  27          1HG       PRO  27  -2.858   9.372  -0.252
  203   1HD   PRO  27          2HD       PRO  27  -1.126   7.277  -1.514
  204   2HD   PRO  27          1HD       PRO  27  -1.224   7.781   0.188
  205    H    PHE  28           H        PHE  28  -4.511   4.477  -1.088
  206    HA   PHE  28           HA       PHE  28  -4.948   2.699  -2.402
  207   1HB   PHE  28          2HB       PHE  28  -5.895   4.838  -4.337
  208   2HB   PHE  28          1HB       PHE  28  -5.980   3.116  -4.705
  209    HD1  PHE  28           1HD      PHE  28  -8.095   2.306  -4.530
  210    HD2  PHE  28           2HD      PHE  28  -6.788   5.200  -1.697
  211    HE1  PHE  28           1HE      PHE  28 -10.266   2.161  -3.385
  212    HE2  PHE  28           2HE      PHE  28  -8.957   5.058  -0.545
  213    HZ   PHE  28           HZ       PHE  28 -10.700   3.537  -1.388
  214    H    VAL  29           H        VAL  29  -2.386   4.343  -2.500
  215    HA   VAL  29           HA       VAL  29  -1.055   2.649  -4.428
  216    HB   VAL  29           HB       VAL  29   0.280   4.506  -5.420
  217   1HG1  VAL  29          1HG1      VAL  29  -2.545   4.010  -5.985
  218   2HG1  VAL  29          2HG1      VAL  29  -1.152   4.038  -7.068
  219   3HG1  VAL  29          3HG1      VAL  29  -1.947   5.546  -6.613
  220   1HG2  VAL  29          1HG2      VAL  29  -0.006   6.699  -4.946
  221   2HG2  VAL  29          2HG2      VAL  29  -0.651   6.063  -3.433
  222   3HG2  VAL  29          3HG2      VAL  29  -1.749   6.542  -4.728
  223    H    CYS  30           H        CYS  30   1.246   2.613  -3.997
  224    HA   CYS  30           HA       CYS  30   1.769   3.153  -1.189
  225   1HB   CYS  30          2HB       CYS  30   2.342   0.996  -2.642
  226   2HB   CYS  30          1HB       CYS  30   3.795   1.922  -3.002
  227    H    VAL  31           H        VAL  31   3.688   4.305  -0.502
  228    HA   VAL  31           HA       VAL  31   4.928   5.989  -2.558
  229    HB   VAL  31           HB       VAL  31   4.776   7.977  -1.038
  230   1HG1  VAL  31          1HG1      VAL  31   2.773   6.897  -2.728
  231   2HG1  VAL  31          2HG1      VAL  31   3.117   8.589  -2.373
  232   3HG1  VAL  31          3HG1      VAL  31   1.972   7.695  -1.375
  233   1HG2  VAL  31          1HG2      VAL  31   4.365   6.970   1.081
  234   2HG2  VAL  31          2HG2      VAL  31   2.899   6.186   0.492
  235   3HG2  VAL  31          3HG2      VAL  31   2.948   7.939   0.678
  Start of MODEL   13
    1   1H    ALA   1          1HT       ALA   1   4.524 -11.684   1.040
    2   2H    ALA   1          2HT       ALA   1   5.065 -10.226   1.711
    3   3H    ALA   1          3HT       ALA   1   6.124 -11.183   0.800
    4    HA   ALA   1           HA       ALA   1   5.452 -10.339  -1.116
    5   1HB   ALA   1          1HB       ALA   1   3.059 -10.040  -1.670
    6   2HB   ALA   1          2HB       ALA   1   2.645 -10.484  -0.014
    7   3HB   ALA   1          3HB       ALA   1   3.422 -11.659  -1.075
    8    H    CYS   2           H        CYS   2   5.170  -8.228  -1.961
    9    HA   CYS   2           HA       CYS   2   4.257  -6.118  -0.175
   10   1HB   CYS   2          2HB       CYS   2   6.302  -4.866  -0.248
   11   2HB   CYS   2          1HB       CYS   2   6.651  -6.455   0.407
   12    H    SER   3           H        SER   3   3.420  -4.446  -1.271
   13    HA   SER   3           HA       SER   3   3.153  -4.739  -4.132
   14   1HB   SER   3          2HB       SER   3   1.223  -4.180  -2.623
   15   2HB   SER   3          1HB       SER   3   1.972  -2.615  -2.322
   16    HG   SER   3           HG       SER   3   0.299  -2.993  -4.147
   17    H    LYS   4           H        LYS   4   3.844  -3.296  -5.679
   18    HA   LYS   4           HA       LYS   4   6.227  -1.849  -5.151
   19   1HB   LYS   4          2HB       LYS   4   5.665  -2.897  -7.351
   20   2HB   LYS   4          1HB       LYS   4   4.423  -1.674  -7.579
   21   1HG   LYS   4          2HG       LYS   4   6.081   0.069  -7.644
   22   2HG   LYS   4          1HG       LYS   4   7.358  -1.084  -7.256
   23   1HD   LYS   4          2HD       LYS   4   7.436  -0.646  -9.610
   24   2HD   LYS   4          1HD       LYS   4   6.825  -2.283  -9.379
   25   1HE   LYS   4          2HE       LYS   4   4.689  -0.322  -9.446
   26   2HE   LYS   4          1HE       LYS   4   5.669  -0.280 -10.910
   27   1HZ   LYS   4          1HZ       LYS   4   3.635  -1.920 -10.624
   28   2HZ   LYS   4          2HZ       LYS   4   4.819  -2.901  -9.922
   29   3HZ   LYS   4          3HZ       LYS   4   5.012  -2.356 -11.512
   30    H    LYS   5           H        LYS   5   6.538   0.469  -5.317
   31    HA   LYS   5           HA       LYS   5   4.850   1.949  -3.752
   32   1HB   LYS   5          2HB       LYS   5   7.054   2.760  -4.094
   33   2HB   LYS   5          1HB       LYS   5   6.821   2.861  -5.834
   34   1HG   LYS   5          2HG       LYS   5   5.567   4.794  -5.686
   35   2HG   LYS   5          1HG       LYS   5   5.106   4.486  -4.025
   36   1HD   LYS   5          2HD       LYS   5   7.331   5.030  -3.263
   37   2HD   LYS   5          1HD       LYS   5   7.880   5.221  -4.932
   38   1HE   LYS   5          2HE       LYS   5   6.773   7.210  -5.216
   39   2HE   LYS   5          1HE       LYS   5   5.550   6.829  -4.005
   40   1HZ   LYS   5          1HZ       LYS   5   8.381   7.540  -3.437
   41   2HZ   LYS   5          2HZ       LYS   5   7.207   7.172  -2.270
   42   3HZ   LYS   5          3HZ       LYS   5   7.047   8.559  -3.231
   43    H    TRP   6           H        TRP   6   5.092   2.583  -7.231
   44    HA   TRP   6           HA       TRP   6   2.526   3.876  -7.127
   45   1HB   TRP   6          2HB       TRP   6   4.097   3.300  -9.637
   46   2HB   TRP   6          1HB       TRP   6   2.956   4.605  -9.334
   47    HD1  TRP   6           HD       TRP   6   6.560   3.548  -8.509
   48    HE1  TRP   6           1HE      TRP   6   7.907   5.640  -7.870
   49    HE3  TRP   6           3HE      TRP   6   2.753   6.949  -8.350
   50    HZ2  TRP   6           2HZ      TRP   6   7.418   8.367  -7.345
   51    HZ3  TRP   6           3HZ      TRP   6   3.273   9.278  -7.763
   52    HH2  TRP   6           HH       TRP   6   5.561   9.971  -7.265
   53    H    GLU   7           H        GLU   7   2.615   1.060  -6.477
   54    HA   GLU   7           HA       GLU   7   1.390  -0.268  -8.782
   55   1HB   GLU   7          2HB       GLU   7   2.908  -1.322  -6.902
   56   2HB   GLU   7          1HB       GLU   7   1.390  -1.441  -6.027
   57   1HG   GLU   7          2HG       GLU   7   1.710  -3.518  -7.077
   58   2HG   GLU   7          1HG       GLU   7   0.474  -2.683  -8.020
   59    H    TYR   8           H        TYR   8  -0.080  -1.368  -6.021
   60    HA   TYR   8           HA       TYR   8  -2.222   0.530  -5.822
   61   1HB   TYR   8          2HB       TYR   8  -2.859  -0.641  -7.904
   62   2HB   TYR   8          1HB       TYR   8  -2.765  -2.185  -7.067
   63    HD1  TYR   8           1HD      TYR   8  -4.797  -3.112  -6.529
   64    HD2  TYR   8           2HD      TYR   8  -4.430   1.126  -6.504
   65    HE1  TYR   8           1HE      TYR   8  -7.165  -2.916  -5.896
   66    HE2  TYR   8           2HE      TYR   8  -6.795   1.333  -5.869
   67    HH   TYR   8           HH       TYR   8  -8.709   0.258  -5.518
   68    H    CYS   9           H        CYS   9  -3.333   0.261  -3.924
   69    HA   CYS   9           HA       CYS   9  -3.237  -2.228  -2.485
   70   1HB   CYS   9          2HB       CYS   9  -2.099  -1.341  -0.501
   71   2HB   CYS   9          1HB       CYS   9  -1.041  -1.310  -1.905
   72    H    ILE  10           H        ILE  10  -4.655  -2.266  -0.703
   73    HA   ILE  10           HA       ILE  10  -6.134  -0.005   0.160
   74    HB   ILE  10           HB       ILE  10  -7.213  -0.221  -2.022
   75   1HG1  ILE  10          2HG1      ILE  10  -9.559  -0.490  -1.271
   76   2HG1  ILE  10          1HG1      ILE  10  -8.979  -1.177   0.241
   77   1HG2  ILE  10          1HG2      ILE  10  -6.719  -2.673  -2.268
   78   2HG2  ILE  10          2HG2      ILE  10  -8.326  -2.164  -2.786
   79   3HG2  ILE  10          3HG2      ILE  10  -8.116  -2.979  -1.236
   80   1HD1  ILE  10          1HD1      ILE  10  -7.734   1.004   0.582
   81   2HD1  ILE  10          2HD1      ILE  10  -9.491   1.058   0.712
   82   3HD1  ILE  10          3HD1      ILE  10  -8.696   1.637  -0.753
   83    H    VAL  11           H        VAL  11  -5.740  -3.452  -0.119
   84    HA   VAL  11           HA       VAL  11  -7.474  -4.326   1.888
   85    HB   VAL  11           HB       VAL  11  -5.985  -6.327   2.039
   86   1HG1  VAL  11          1HG1      VAL  11  -7.338  -6.967   0.392
   87   2HG1  VAL  11          2HG1      VAL  11  -6.106  -6.425  -0.748
   88   3HG1  VAL  11          3HG1      VAL  11  -7.406  -5.332  -0.268
   89   1HG2  VAL  11          1HG2      VAL  11  -4.307  -4.746   0.092
   90   2HG2  VAL  11          2HG2      VAL  11  -4.131  -6.478   0.374
   91   3HG2  VAL  11          3HG2      VAL  11  -3.828  -5.335   1.683
   92    HA   PRO  12           HA       PRO  12  -5.813  -2.857   5.683
   93   1HB   PRO  12          2HB       PRO  12  -6.357  -5.595   6.714
   94   2HB   PRO  12          1HB       PRO  12  -6.889  -4.029   7.337
   95   1HG   PRO  12          2HG       PRO  12  -8.582  -5.613   6.032
   96   2HG   PRO  12          1HG       PRO  12  -8.617  -3.855   5.800
   97   1HD   PRO  12          2HD       PRO  12  -7.510  -5.983   4.018
   98   2HD   PRO  12          1HD       PRO  12  -8.358  -4.482   3.593
   99    H    ILE  13           H        ILE  13  -3.659  -2.594   5.422
  100    HA   ILE  13           HA       ILE  13  -1.749  -4.620   5.054
  101    HB   ILE  13           HB       ILE  13  -0.073  -2.916   5.729
  102   1HG1  ILE  13          2HG1      ILE  13  -2.495  -1.154   6.183
  103   2HG1  ILE  13          1HG1      ILE  13  -1.455  -1.790   7.452
  104   1HG2  ILE  13          1HG2      ILE  13  -1.755  -1.324   3.955
  105   2HG2  ILE  13          2HG2      ILE  13  -1.632  -3.017   3.479
  106   3HG2  ILE  13          3HG2      ILE  13  -0.172  -2.048   3.672
  107   1HD1  ILE  13          1HD1      ILE  13  -0.504   0.240   7.247
  108   2HD1  ILE  13          2HD1      ILE  13  -1.013   0.433   5.569
  109   3HD1  ILE  13          3HD1      ILE  13   0.388  -0.566   5.957
  110    H    LEU  14           H        LEU  14  -3.461  -3.649   7.796
  111    HA   LEU  14           HA       LEU  14  -1.629  -4.249   9.848
  112   1HB   LEU  14          2HB       LEU  14  -3.687  -2.918  10.148
  113   2HB   LEU  14          1HB       LEU  14  -4.646  -4.361   9.887
  114    HG   LEU  14           HG       LEU  14  -3.618  -5.360  11.924
  115   1HD1  LEU  14          1HD1      LEU  14  -1.637  -3.628  11.690
  116   2HD1  LEU  14          2HD1      LEU  14  -2.122  -4.276  13.258
  117   3HD1  LEU  14          3HD1      LEU  14  -2.666  -2.674  12.760
  118   1HD2  LEU  14          1HD2      LEU  14  -5.321  -4.547  13.115
  119   2HD2  LEU  14          2HD2      LEU  14  -5.672  -3.543  11.708
  120   3HD2  LEU  14          3HD2      LEU  14  -4.702  -2.898  13.033
  121    H    GLY  15           H        GLY  15  -3.558  -6.287   7.772
  122   1HA   GLY  15          2HA       GLY  15  -2.306  -8.613   8.900
  123   2HA   GLY  15          1HA       GLY  15  -4.007  -8.509   9.314
  124    H    PHE  16           H        PHE  16  -2.040  -8.032   6.359
  125    HA   PHE  16           HA       PHE  16  -3.246 -10.258   5.062
  126   1HB   PHE  16          2HB       PHE  16  -5.040  -8.378   4.973
  127   2HB   PHE  16          1HB       PHE  16  -3.982  -7.638   3.777
  128    HD1  PHE  16           1HD      PHE  16  -5.086  -7.859   1.751
  129    HD2  PHE  16           2HD      PHE  16  -4.806 -11.221   4.342
  130    HE1  PHE  16           1HE      PHE  16  -6.072  -9.282   0.004
  131    HE2  PHE  16           2HE      PHE  16  -5.790 -12.651   2.598
  132    HZ   PHE  16           HZ       PHE  16  -6.423 -11.682   0.426
  133    H    VAL  17           H        VAL  17  -2.033  -7.060   4.027
  134    HA   VAL  17           HA       VAL  17   0.389  -8.327   3.004
  135    HB   VAL  17           HB       VAL  17  -0.833  -6.337   1.158
  136   1HG1  VAL  17          1HG1      VAL  17   1.368  -8.076   1.155
  137   2HG1  VAL  17          2HG1      VAL  17   0.836  -6.995  -0.134
  138   3HG1  VAL  17          3HG1      VAL  17   0.267  -8.663  -0.092
  139   1HG2  VAL  17          1HG2      VAL  17  -2.410  -8.486   1.860
  140   2HG2  VAL  17          2HG2      VAL  17  -1.595  -9.040   0.397
  141   3HG2  VAL  17          3HG2      VAL  17  -2.536  -7.549   0.371
  142    H    TYR  18           H        TYR  18   1.695  -6.324   1.921
  143    HA   TYR  18           HA       TYR  18   1.363  -3.764   3.065
  144   1HB   TYR  18          2HB       TYR  18   2.027  -5.092   5.110
  145   2HB   TYR  18          1HB       TYR  18   3.561  -5.429   4.320
  146    HD1  TYR  18           1HD      TYR  18   1.548  -2.291   4.610
  147    HD2  TYR  18           2HD      TYR  18   5.219  -4.275   5.444
  148    HE1  TYR  18           1HE      TYR  18   2.463  -0.202   5.527
  149    HE2  TYR  18           2HE      TYR  18   6.142  -2.191   6.364
  150    HH   TYR  18           HH       TYR  18   5.485  -0.109   7.226
  151    H    CYS  19           H        CYS  19   3.079  -2.315   2.390
  152    HA   CYS  19           HA       CYS  19   4.203  -2.996  -0.126
  153   1HB   CYS  19          2HB       CYS  19   4.532  -0.717   1.766
  154   2HB   CYS  19          1HB       CYS  19   5.472  -0.784   0.282
  155    H    CYS  20           H        CYS  20   6.552  -2.685  -0.624
  156    HA   CYS  20           HA       CYS  20   8.125  -4.508   0.876
  157   1HB   CYS  20          2HB       CYS  20   9.205  -2.450  -1.046
  158   2HB   CYS  20          1HB       CYS  20   9.880  -4.026  -0.662
  159    HA   PRO  21           HA       PRO  21   9.774  -2.024   4.109
  160   1HB   PRO  21          2HB       PRO  21  12.483  -2.884   3.236
  161   2HB   PRO  21          1HB       PRO  21  11.722  -2.949   4.831
  162   1HG   PRO  21          2HG       PRO  21  11.981  -5.160   3.353
  163   2HG   PRO  21          1HG       PRO  21  10.524  -4.878   4.327
  164   1HD   PRO  21          2HD       PRO  21  10.918  -4.596   1.378
  165   2HD   PRO  21          1HD       PRO  21   9.495  -5.159   2.272
  166    H    GLY  22           H        GLY  22   9.720   0.032   3.872
  167   1HA   GLY  22          2HA       GLY  22  11.182   2.013   3.540
  168   2HA   GLY  22          1HA       GLY  22  11.540   1.340   1.955
  169    H    LEU  23           H        LEU  23   8.728   0.468   1.564
  170    HA   LEU  23           HA       LEU  23   7.637   3.106   0.868
  171   1HB   LEU  23          2HB       LEU  23   6.967   0.387  -0.267
  172   2HB   LEU  23          1HB       LEU  23   6.368   1.929  -0.849
  173    HG   LEU  23           HG       LEU  23   9.272   1.106  -0.907
  174   1HD1  LEU  23          1HD1      LEU  23   8.824   0.976  -3.397
  175   2HD1  LEU  23          2HD1      LEU  23   7.110   0.945  -2.985
  176   3HD1  LEU  23          3HD1      LEU  23   8.178  -0.335  -2.411
  177   1HD2  LEU  23          1HD2      LEU  23   9.732   3.084  -1.962
  178   2HD2  LEU  23          2HD2      LEU  23   8.438   3.604  -0.882
  179   3HD2  LEU  23          3HD2      LEU  23   8.089   3.266  -2.578
  180    H    ILE  24           H        ILE  24   5.459   3.580   1.315
  181    HA   ILE  24           HA       ILE  24   4.089   1.657   3.083
  182    HB   ILE  24           HB       ILE  24   3.207   3.613   4.390
  183   1HG1  ILE  24          2HG1      ILE  24   5.485   5.084   3.044
  184   2HG1  ILE  24          1HG1      ILE  24   3.777   5.360   2.722
  185   1HG2  ILE  24          1HG2      ILE  24   5.613   3.993   5.467
  186   2HG2  ILE  24          2HG2      ILE  24   5.993   2.614   4.437
  187   3HG2  ILE  24          3HG2      ILE  24   4.718   2.484   5.648
  188   1HD1  ILE  24          1HD1      ILE  24   5.045   6.936   4.323
  189   2HD1  ILE  24          2HD1      ILE  24   4.847   5.634   5.496
  190   3HD1  ILE  24          3HD1      ILE  24   3.429   6.383   4.760
  191    H    CYS  25           H        CYS  25   2.004   1.305   2.648
  192    HA   CYS  25           HA       CYS  25   0.834   2.283   0.274
  193   1HB   CYS  25          2HB       CYS  25   0.207   0.119   1.166
  194   2HB   CYS  25          1HB       CYS  25  -0.408   0.862   2.638
  195    H    GLY  26           H        GLY  26  -0.700   3.841  -0.124
  196   1HA   GLY  26          2HA       GLY  26  -1.675   5.420   2.154
  197   2HA   GLY  26          1HA       GLY  26  -0.814   6.235   0.858
  198    HA   PRO  27           HA       PRO  27  -4.959   6.851  -0.709
  199   1HB   PRO  27          2HB       PRO  27  -4.260   8.287  -2.900
  200   2HB   PRO  27          1HB       PRO  27  -4.271   8.965  -1.268
  201   1HG   PRO  27          2HG       PRO  27  -1.966   7.930  -2.873
  202   2HG   PRO  27          1HG       PRO  27  -2.067   9.392  -1.874
  203   1HD   PRO  27          2HD       PRO  27  -0.883   7.112  -1.014
  204   2HD   PRO  27          1HD       PRO  27  -1.719   8.229   0.083
  205    H    PHE  28           H        PHE  28  -4.559   4.374  -1.105
  206    HA   PHE  28           HA       PHE  28  -5.018   2.584  -2.397
  207   1HB   PHE  28          2HB       PHE  28  -5.875   4.688  -4.413
  208   2HB   PHE  28          1HB       PHE  28  -6.007   2.959  -4.715
  209    HD1  PHE  28           1HD      PHE  28  -8.132   2.193  -4.531
  210    HD2  PHE  28           2HD      PHE  28  -6.827   5.219  -1.839
  211    HE1  PHE  28           1HE      PHE  28 -10.338   2.172  -3.444
  212    HE2  PHE  28           2HE      PHE  28  -9.030   5.201  -0.745
  213    HZ   PHE  28           HZ       PHE  28 -10.789   3.675  -1.548
  214    H    VAL  29           H        VAL  29  -2.427   4.252  -2.544
  215    HA   VAL  29           HA       VAL  29  -1.092   2.454  -4.379
  216    HB   VAL  29           HB       VAL  29   0.249   4.273  -5.452
  217   1HG1  VAL  29          1HG1      VAL  29  -1.507   5.050  -7.041
  218   2HG1  VAL  29          2HG1      VAL  29  -2.718   4.317  -5.988
  219   3HG1  VAL  29          3HG1      VAL  29  -1.498   3.308  -6.765
  220   1HG2  VAL  29          1HG2      VAL  29  -1.775   6.343  -4.925
  221   2HG2  VAL  29          2HG2      VAL  29  -0.019   6.467  -5.038
  222   3HG2  VAL  29          3HG2      VAL  29  -0.770   5.909  -3.542
  223    H    CYS  30           H        CYS  30   1.253   2.550  -3.996
  224    HA   CYS  30           HA       CYS  30   1.752   3.115  -1.191
  225   1HB   CYS  30          2HB       CYS  30   2.409   0.964  -2.539
  226   2HB   CYS  30          1HB       CYS  30   3.760   1.946  -3.086
  227    H    VAL  31           H        VAL  31   3.620   4.345  -0.503
  228    HA   VAL  31           HA       VAL  31   4.777   6.094  -2.551
  229    HB   VAL  31           HB       VAL  31   4.545   8.065  -1.031
  230   1HG1  VAL  31          1HG1      VAL  31   2.225   6.728  -2.318
  231   2HG1  VAL  31          2HG1      VAL  31   3.022   8.249  -2.718
  232   3HG1  VAL  31          3HG1      VAL  31   1.921   8.166  -1.343
  233   1HG2  VAL  31          1HG2      VAL  31   2.456   7.678   0.584
  234   2HG2  VAL  31          2HG2      VAL  31   4.123   7.440   1.109
  235   3HG2  VAL  31          3HG2      VAL  31   3.143   6.054   0.629
  Start of MODEL   14
    1   1H    ALA   1          1HT       ALA   1   3.686 -10.899   0.267
    2   2H    ALA   1          2HT       ALA   1   5.155 -10.722   1.087
    3   3H    ALA   1          3HT       ALA   1   4.900 -12.062   0.082
    4    HA   ALA   1           HA       ALA   1   6.322 -10.464  -1.005
    5   1HB   ALA   1          1HB       ALA   1   4.685 -11.845  -2.303
    6   2HB   ALA   1          2HB       ALA   1   5.158 -10.337  -3.087
    7   3HB   ALA   1          3HB       ALA   1   3.592 -10.461  -2.284
    8    H    CYS   2           H        CYS   2   6.830  -8.365  -1.450
    9    HA   CYS   2           HA       CYS   2   5.172  -6.337  -0.156
   10   1HB   CYS   2          2HB       CYS   2   7.087  -4.932  -0.241
   11   2HB   CYS   2          1HB       CYS   2   7.620  -6.516   0.298
   12    H    SER   3           H        SER   3   4.087  -4.816  -1.182
   13    HA   SER   3           HA       SER   3   3.674  -5.074  -4.012
   14   1HB   SER   3          2HB       SER   3   1.820  -4.638  -2.419
   15   2HB   SER   3          1HB       SER   3   2.526  -3.064  -2.058
   16    HG   SER   3           HG       SER   3   2.005  -2.351  -4.045
   17    H    LYS   4           H        LYS   4   4.158  -3.608  -5.606
   18    HA   LYS   4           HA       LYS   4   6.460  -1.976  -5.246
   19   1HB   LYS   4          2HB       LYS   4   4.510  -2.234  -7.540
   20   2HB   LYS   4          1HB       LYS   4   5.924  -1.195  -7.596
   21   1HG   LYS   4          2HG       LYS   4   7.400  -3.046  -7.482
   22   2HG   LYS   4          1HG       LYS   4   6.085  -4.151  -7.076
   23   1HD   LYS   4          2HD       LYS   4   6.067  -2.612  -9.651
   24   2HD   LYS   4          1HD       LYS   4   6.970  -4.122  -9.503
   25   1HE   LYS   4          2HE       LYS   4   5.110  -5.368  -9.550
   26   2HE   LYS   4          1HE       LYS   4   4.250  -4.285  -8.458
   27   1HZ   LYS   4          1HZ       LYS   4   3.053  -3.713 -10.217
   28   2HZ   LYS   4          2HZ       LYS   4   4.117  -4.460 -11.308
   29   3HZ   LYS   4          3HZ       LYS   4   4.415  -2.880 -10.786
   30    H    LYS   5           H        LYS   5   6.601   0.294  -5.349
   31    HA   LYS   5           HA       LYS   5   4.862   1.674  -3.762
   32   1HB   LYS   5          2HB       LYS   5   6.993   2.608  -4.038
   33   2HB   LYS   5          1HB       LYS   5   6.846   2.641  -5.791
   34   1HG   LYS   5          2HG       LYS   5   5.501   4.527  -5.768
   35   2HG   LYS   5          1HG       LYS   5   4.991   4.262  -4.122
   36   1HD   LYS   5          2HD       LYS   5   7.162   4.926  -3.298
   37   2HD   LYS   5          1HD       LYS   5   7.765   5.074  -4.953
   38   1HE   LYS   5          2HE       LYS   5   6.602   7.008  -5.352
   39   2HE   LYS   5          1HE       LYS   5   5.337   6.618  -4.186
   40   1HZ   LYS   5          1HZ       LYS   5   7.051   6.990  -2.413
   41   2HZ   LYS   5          2HZ       LYS   5   6.607   8.379  -3.280
   42   3HZ   LYS   5          3HZ       LYS   5   8.074   7.612  -3.615
   43    H    TRP   6           H        TRP   6   4.940   2.063  -7.299
   44    HA   TRP   6           HA       TRP   6   2.565   3.648  -7.081
   45   1HB   TRP   6          2HB       TRP   6   3.900   2.695  -9.617
   46   2HB   TRP   6          1HB       TRP   6   2.811   4.071  -9.420
   47    HD1  TRP   6           HD       TRP   6   6.400   2.971  -8.583
   48    HE1  TRP   6           1HE      TRP   6   7.834   5.061  -8.167
   49    HE3  TRP   6           3HE      TRP   6   2.717   6.506  -8.635
   50    HZ2  TRP   6           2HZ      TRP   6   7.454   7.838  -7.875
   51    HZ3  TRP   6           3HZ      TRP   6   3.331   8.856  -8.267
   52    HH2  TRP   6           HH       TRP   6   5.653   9.507  -7.888
   53    H    GLU   7           H        GLU   7   2.489   0.745  -6.328
   54    HA   GLU   7           HA       GLU   7   0.633  -0.347  -8.301
   55   1HB   GLU   7          2HB       GLU   7   1.384  -1.344  -5.548
   56   2HB   GLU   7          1HB       GLU   7   0.255  -2.156  -6.617
   57   1HG   GLU   7          2HG       GLU   7   3.193  -1.734  -7.040
   58   2HG   GLU   7          1HG       GLU   7   2.357  -3.253  -6.738
   59    H    TYR   8           H        TYR   8  -1.573  -0.456  -8.071
   60    HA   TYR   8           HA       TYR   8  -2.773   1.565  -6.424
   61   1HB   TYR   8          2HB       TYR   8  -3.499   0.887  -8.778
   62   2HB   TYR   8          1HB       TYR   8  -4.213  -0.544  -8.046
   63    HD1  TYR   8           1HD      TYR   8  -6.473  -0.445  -7.627
   64    HD2  TYR   8           2HD      TYR   8  -4.220   3.161  -7.496
   65    HE1  TYR   8           1HE      TYR   8  -8.534   0.820  -7.183
   66    HE2  TYR   8           2HE      TYR   8  -6.275   4.435  -7.047
   67    HH   TYR   8           HH       TYR   8  -8.479   4.353  -6.830
   68    H    CYS   9           H        CYS   9  -1.682   0.175  -4.550
   69    HA   CYS   9           HA       CYS   9  -3.291  -2.031  -3.649
   70   1HB   CYS   9          2HB       CYS   9  -1.840  -1.911  -1.597
   71   2HB   CYS   9          1HB       CYS   9  -0.980  -2.170  -3.109
   72    H    ILE  10           H        ILE  10  -5.295  -0.855  -3.706
   73    HA   ILE  10           HA       ILE  10  -5.913   1.308  -2.026
   74    HB   ILE  10           HB       ILE  10  -7.378   0.722  -3.851
   75   1HG1  ILE  10          2HG1      ILE  10  -8.773   0.273  -1.203
   76   2HG1  ILE  10          1HG1      ILE  10  -8.407   1.839  -1.920
   77   1HG2  ILE  10          1HG2      ILE  10  -8.271  -1.762  -2.434
   78   2HG2  ILE  10          2HG2      ILE  10  -6.917  -1.784  -3.563
   79   3HG2  ILE  10          3HG2      ILE  10  -8.517  -1.292  -4.115
   80   1HD1  ILE  10          1HD1      ILE  10 -10.723   0.306  -2.233
   81   2HD1  ILE  10          2HD1      ILE  10  -9.879   0.234  -3.781
   82   3HD1  ILE  10          3HD1      ILE  10 -10.293   1.796  -3.073
   83    H    VAL  11           H        VAL  11  -5.690  -2.111  -1.451
   84    HA   VAL  11           HA       VAL  11  -7.083  -2.189   1.016
   85    HB   VAL  11           HB       VAL  11  -5.860  -4.365   1.354
   86   1HG1  VAL  11          1HG1      VAL  11  -7.525  -3.742  -1.045
   87   2HG1  VAL  11          2HG1      VAL  11  -7.938  -4.659   0.404
   88   3HG1  VAL  11          3HG1      VAL  11  -6.895  -5.374  -0.824
   89   1HG2  VAL  11          1HG2      VAL  11  -4.410  -3.342  -1.005
   90   2HG2  VAL  11          2HG2      VAL  11  -4.858  -5.047  -1.053
   91   3HG2  VAL  11          3HG2      VAL  11  -3.873  -4.431   0.275
   92    HA   PRO  12           HA       PRO  12  -4.056  -0.255   3.595
   93   1HB   PRO  12          2HB       PRO  12  -5.026  -1.081   5.998
   94   2HB   PRO  12          1HB       PRO  12  -5.775   0.203   5.042
   95   1HG   PRO  12          2HG       PRO  12  -6.540  -2.681   5.271
   96   2HG   PRO  12          1HG       PRO  12  -7.580  -1.244   5.252
   97   1HD   PRO  12          2HD       PRO  12  -7.216  -2.806   3.072
   98   2HD   PRO  12          1HD       PRO  12  -7.491  -1.056   2.957
   99    H    ILE  13           H        ILE  13  -2.132  -0.786   4.468
  100    HA   ILE  13           HA       ILE  13  -0.969  -3.268   4.144
  101    HB   ILE  13           HB       ILE  13  -0.196  -1.194   6.205
  102   1HG1  ILE  13          2HG1      ILE  13   0.750  -1.538   3.350
  103   2HG1  ILE  13          1HG1      ILE  13  -0.360  -0.290   3.904
  104   1HG2  ILE  13          1HG2      ILE  13   2.046  -2.158   6.035
  105   2HG2  ILE  13          2HG2      ILE  13   1.435  -3.384   4.924
  106   3HG2  ILE  13          3HG2      ILE  13   0.874  -3.351   6.595
  107   1HD1  ILE  13          1HD1      ILE  13   2.372  -0.077   3.716
  108   2HD1  ILE  13          2HD1      ILE  13   2.100  -0.343   5.439
  109   3HD1  ILE  13          3HD1      ILE  13   1.303   0.998   4.616
  110    H    LEU  14           H        LEU  14  -2.507  -1.919   7.032
  111    HA   LEU  14           HA       LEU  14  -2.045  -4.348   8.522
  112   1HB   LEU  14          2HB       LEU  14  -3.510  -3.143  10.269
  113   2HB   LEU  14          1HB       LEU  14  -1.890  -2.565   9.968
  114    HG   LEU  14           HG       LEU  14  -3.613  -0.787  10.320
  115   1HD1  LEU  14          1HD1      LEU  14  -2.019  -0.839   7.783
  116   2HD1  LEU  14          2HD1      LEU  14  -1.623  -0.075   9.322
  117   3HD1  LEU  14          3HD1      LEU  14  -2.912   0.585   8.314
  118   1HD2  LEU  14          1HD2      LEU  14  -5.393  -0.435   8.982
  119   2HD2  LEU  14          2HD2      LEU  14  -5.244  -2.174   8.723
  120   3HD2  LEU  14          3HD2      LEU  14  -4.576  -1.046   7.543
  121    H    GLY  15           H        GLY  15  -3.575  -4.604   6.130
  122   1HA   GLY  15          2HA       GLY  15  -5.913  -5.919   7.281
  123   2HA   GLY  15          1HA       GLY  15  -6.220  -4.687   6.064
  124    H    PHE  16           H        PHE  16  -4.070  -5.157   4.341
  125    HA   PHE  16           HA       PHE  16  -3.947  -7.927   3.629
  126   1HB   PHE  16          2HB       PHE  16  -6.250  -7.190   2.847
  127   2HB   PHE  16          1HB       PHE  16  -5.433  -6.119   1.716
  128    HD1  PHE  16           1HD      PHE  16  -5.999  -7.009  -0.357
  129    HD2  PHE  16           2HD      PHE  16  -4.496  -9.578   2.686
  130    HE1  PHE  16           1HE      PHE  16  -5.855  -8.848  -1.985
  131    HE2  PHE  16           2HE      PHE  16  -4.347 -11.421   1.062
  132    HZ   PHE  16           HZ       PHE  16  -5.027 -11.056  -1.277
  133    H    VAL  17           H        VAL  17  -2.167  -8.302   2.493
  134    HA   VAL  17           HA       VAL  17  -0.193  -8.036   1.424
  135    HB   VAL  17           HB       VAL  17  -1.071  -5.495   0.104
  136   1HG1  VAL  17          1HG1      VAL  17   0.916  -7.538  -0.324
  137   2HG1  VAL  17          2HG1      VAL  17   0.762  -5.946  -1.071
  138   3HG1  VAL  17          3HG1      VAL  17  -0.093  -7.328  -1.755
  139   1HG2  VAL  17          1HG2      VAL  17  -2.435  -6.635  -1.496
  140   2HG2  VAL  17          2HG2      VAL  17  -3.044  -7.039   0.108
  141   3HG2  VAL  17          3HG2      VAL  17  -2.060  -8.202  -0.780
  142    H    TYR  18           H        TYR  18   1.430  -5.998   0.799
  143    HA   TYR  18           HA       TYR  18   1.618  -3.860   2.602
  144   1HB   TYR  18          2HB       TYR  18   3.473  -4.676   4.038
  145   2HB   TYR  18          1HB       TYR  18   1.981  -5.564   4.317
  146    HD1  TYR  18           1HD      TYR  18   1.842  -7.912   3.883
  147    HD2  TYR  18           2HD      TYR  18   5.352  -5.756   2.816
  148    HE1  TYR  18           1HE      TYR  18   3.026 -10.033   3.509
  149    HE2  TYR  18           2HE      TYR  18   6.543  -7.872   2.437
  150    HH   TYR  18           HH       TYR  18   5.981 -10.529   3.535
  151    H    CYS  19           H        CYS  19   3.343  -2.513   2.057
  152    HA   CYS  19           HA       CYS  19   4.575  -3.020  -0.485
  153   1HB   CYS  19          2HB       CYS  19   4.898  -0.851   1.552
  154   2HB   CYS  19          1HB       CYS  19   5.701  -0.814  -0.010
  155    H    CYS  20           H        CYS  20   6.966  -2.442  -0.720
  156    HA   CYS  20           HA       CYS  20   8.519  -4.332   0.773
  157   1HB   CYS  20          2HB       CYS  20   9.564  -2.164  -1.047
  158   2HB   CYS  20          1HB       CYS  20  10.346  -3.680  -0.630
  159    HA   PRO  21           HA       PRO  21   9.870  -1.915   4.173
  160   1HB   PRO  21          2HB       PRO  21  12.671  -2.471   3.346
  161   2HB   PRO  21          1HB       PRO  21  11.878  -2.686   4.911
  162   1HG   PRO  21          2HG       PRO  21  12.379  -4.786   3.334
  163   2HG   PRO  21          1HG       PRO  21  10.881  -4.689   4.279
  164   1HD   PRO  21          2HD       PRO  21  11.311  -4.235   1.358
  165   2HD   PRO  21          1HD       PRO  21   9.919  -4.950   2.192
  166    H    GLY  22           H        GLY  22   9.602   0.131   4.024
  167   1HA   GLY  22          2HA       GLY  22  10.849   2.267   3.881
  168   2HA   GLY  22          1HA       GLY  22  11.380   1.727   2.295
  169    H    LEU  23           H        LEU  23   8.745   0.606   1.606
  170    HA   LEU  23           HA       LEU  23   7.418   3.145   0.967
  171   1HB   LEU  23          2HB       LEU  23   7.065   0.429  -0.305
  172   2HB   LEU  23          1HB       LEU  23   6.415   1.949  -0.888
  173    HG   LEU  23           HG       LEU  23   9.362   1.318  -0.728
  174   1HD1  LEU  23          1HD1      LEU  23   7.323   0.812  -2.815
  175   2HD1  LEU  23          2HD1      LEU  23   8.797  -0.076  -2.425
  176   3HD1  LEU  23          3HD1      LEU  23   8.889   1.427  -3.343
  177   1HD2  LEU  23          1HD2      LEU  23   8.398   3.387  -2.556
  178   2HD2  LEU  23          2HD2      LEU  23   9.763   3.404  -1.439
  179   3HD2  LEU  23          3HD2      LEU  23   8.138   3.758  -0.852
  180    H    ILE  24           H        ILE  24   5.132   3.327   1.197
  181    HA   ILE  24           HA       ILE  24   3.774   1.180   2.657
  182    HB   ILE  24           HB       ILE  24   2.797   2.765   4.299
  183   1HG1  ILE  24          2HG1      ILE  24   3.402   4.841   2.934
  184   2HG1  ILE  24          1HG1      ILE  24   3.618   4.941   4.674
  185   1HG2  ILE  24          1HG2      ILE  24   4.894   2.974   5.709
  186   2HG2  ILE  24          2HG2      ILE  24   5.749   2.253   4.344
  187   3HG2  ILE  24          3HG2      ILE  24   4.456   1.360   5.146
  188   1HD1  ILE  24          1HD1      ILE  24   6.063   4.355   4.219
  189   2HD1  ILE  24          2HD1      ILE  24   5.505   5.969   3.779
  190   3HD1  ILE  24          3HD1      ILE  24   5.703   4.735   2.535
  191    H    CYS  25           H        CYS  25   1.692   0.912   2.076
  192    HA   CYS  25           HA       CYS  25   0.608   2.442  -0.069
  193   1HB   CYS  25          2HB       CYS  25  -0.691   0.399   1.739
  194   2HB   CYS  25          1HB       CYS  25  -1.471   1.106   0.327
  195    H    GLY  26           H        GLY  26  -0.775   4.137  -0.090
  196   1HA   GLY  26          2HA       GLY  26  -2.111   4.897   2.405
  197   2HA   GLY  26          1HA       GLY  26  -0.999   6.052   1.692
  198    HA   PRO  27           HA       PRO  27  -4.357   7.581  -0.729
  199   1HB   PRO  27          2HB       PRO  27  -2.601   8.324  -2.922
  200   2HB   PRO  27          1HB       PRO  27  -3.372   9.363  -1.723
  201   1HG   PRO  27          2HG       PRO  27  -0.687   8.922  -1.807
  202   2HG   PRO  27          1HG       PRO  27  -1.566   9.296  -0.314
  203   1HD   PRO  27          2HD       PRO  27  -0.622   6.646  -1.348
  204   2HD   PRO  27          1HD       PRO  27  -0.583   7.288   0.309
  205    H    PHE  28           H        PHE  28  -4.420   4.971  -0.991
  206    HA   PHE  28           HA       PHE  28  -5.195   3.260  -2.244
  207   1HB   PHE  28          2HB       PHE  28  -5.753   5.470  -4.255
  208   2HB   PHE  28          1HB       PHE  28  -6.193   3.787  -4.529
  209    HD1  PHE  28           1HD      PHE  28  -8.481   3.710  -4.480
  210    HD2  PHE  28           2HD      PHE  28  -6.436   5.865  -1.433
  211    HE1  PHE  28           1HE      PHE  28 -10.613   4.072  -3.308
  212    HE2  PHE  28           2HE      PHE  28  -8.564   6.229  -0.256
  213    HZ   PHE  28           HZ       PHE  28 -10.657   5.332  -1.193
  214    H    VAL  29           H        VAL  29  -2.382   4.502  -2.500
  215    HA   VAL  29           HA       VAL  29  -1.357   2.492  -4.311
  216    HB   VAL  29           HB       VAL  29   0.198   4.083  -5.465
  217   1HG1  VAL  29          1HG1      VAL  29  -2.712   4.008  -5.934
  218   2HG1  VAL  29          2HG1      VAL  29  -1.371   3.610  -7.008
  219   3HG1  VAL  29          3HG1      VAL  29  -1.834   5.295  -6.761
  220   1HG2  VAL  29          1HG2      VAL  29  -0.124   5.890  -3.707
  221   2HG2  VAL  29          2HG2      VAL  29  -1.619   6.304  -4.547
  222   3HG2  VAL  29          3HG2      VAL  29  -0.073   6.423  -5.387
  223    H    CYS  30           H        CYS  30   1.115   2.515  -4.057
  224    HA   CYS  30           HA       CYS  30   1.681   2.957  -1.239
  225   1HB   CYS  30          2HB       CYS  30   2.237   0.795  -2.463
  226   2HB   CYS  30          1HB       CYS  30   3.482   1.703  -3.306
  227    H    VAL  31           H        VAL  31   3.572   4.140  -0.542
  228    HA   VAL  31           HA       VAL  31   4.694   5.930  -2.580
  229    HB   VAL  31           HB       VAL  31   4.492   7.877  -1.079
  230   1HG1  VAL  31          1HG1      VAL  31   1.674   7.078  -1.143
  231   2HG1  VAL  31          2HG1      VAL  31   2.533   6.859  -2.669
  232   3HG1  VAL  31          3HG1      VAL  31   2.487   8.447  -1.903
  233   1HG2  VAL  31          1HG2      VAL  31   3.247   7.859   0.942
  234   2HG2  VAL  31          2HG2      VAL  31   4.382   6.512   1.030
  235   3HG2  VAL  31          3HG2      VAL  31   2.684   6.213   0.658
  Start of MODEL   15
    1   1H    ALA   1          1HT       ALA   1   3.317 -10.675   1.316
    2   2H    ALA   1          2HT       ALA   1   2.545 -11.198  -0.096
    3   3H    ALA   1          3HT       ALA   1   2.383  -9.591   0.411
    4    HA   ALA   1           HA       ALA   1   5.113 -10.293   0.119
    5   1HB   ALA   1          1HB       ALA   1   5.113 -10.465  -2.334
    6   2HB   ALA   1          2HB       ALA   1   3.351 -10.532  -2.322
    7   3HB   ALA   1          3HB       ALA   1   4.289 -11.830  -1.581
    8    H    CYS   2           H        CYS   2   6.215  -8.489  -0.860
    9    HA   CYS   2           HA       CYS   2   4.681  -6.035  -0.585
   10   1HB   CYS   2          2HB       CYS   2   6.767  -4.903  -0.477
   11   2HB   CYS   2          1HB       CYS   2   6.945  -6.355   0.486
   12    H    SER   3           H        SER   3   4.356  -4.550  -2.258
   13    HA   SER   3           HA       SER   3   4.911  -5.635  -4.932
   14   1HB   SER   3          2HB       SER   3   2.504  -5.505  -4.136
   15   2HB   SER   3          1HB       SER   3   2.666  -3.753  -4.221
   16    HG   SER   3           HG       SER   3   1.801  -4.908  -6.145
   17    H    LYS   4           H        LYS   4   4.100  -3.424  -6.394
   18    HA   LYS   4           HA       LYS   4   6.485  -1.808  -6.312
   19   1HB   LYS   4          2HB       LYS   4   4.157  -1.268  -8.125
   20   2HB   LYS   4          1HB       LYS   4   5.874  -1.050  -8.433
   21   1HG   LYS   4          2HG       LYS   4   6.149  -3.491  -8.525
   22   2HG   LYS   4          1HG       LYS   4   4.412  -3.680  -8.272
   23   1HD   LYS   4          2HD       LYS   4   4.215  -2.112 -10.341
   24   2HD   LYS   4          1HD       LYS   4   5.879  -2.610 -10.651
   25   1HE   LYS   4          2HE       LYS   4   4.438  -4.068 -11.877
   26   2HE   LYS   4          1HE       LYS   4   5.111  -4.983 -10.530
   27   1HZ   LYS   4          1HZ       LYS   4   2.618  -3.680  -9.898
   28   2HZ   LYS   4          2HZ       LYS   4   3.092  -5.286  -9.650
   29   3HZ   LYS   4          3HZ       LYS   4   2.479  -4.813 -11.149
   30    H    LYS   5           H        LYS   5   6.557   0.459  -6.109
   31    HA   LYS   5           HA       LYS   5   5.011   1.548  -4.075
   32   1HB   LYS   5          2HB       LYS   5   7.072   2.593  -4.391
   33   2HB   LYS   5          1HB       LYS   5   6.829   2.764  -6.125
   34   1HG   LYS   5          2HG       LYS   5   5.474   4.624  -5.881
   35   2HG   LYS   5          1HG       LYS   5   5.044   4.218  -4.238
   36   1HD   LYS   5          2HD       LYS   5   7.212   4.871  -3.446
   37   2HD   LYS   5          1HD       LYS   5   7.790   5.092  -5.100
   38   1HE   LYS   5          2HE       LYS   5   6.586   7.034  -5.407
   39   2HE   LYS   5          1HE       LYS   5   5.398   6.619  -4.174
   40   1HZ   LYS   5          1HZ       LYS   5   6.812   8.385  -3.390
   41   2HZ   LYS   5          2HZ       LYS   5   8.203   7.473  -3.689
   42   3HZ   LYS   5          3HZ       LYS   5   7.117   6.989  -2.477
   43    H    TRP   6           H        TRP   6   4.786   2.324  -7.539
   44    HA   TRP   6           HA       TRP   6   2.385   3.805  -7.012
   45   1HB   TRP   6          2HB       TRP   6   3.530   3.105  -9.717
   46   2HB   TRP   6          1HB       TRP   6   2.453   4.440  -9.310
   47    HD1  TRP   6           HD       TRP   6   6.111   3.328  -8.872
   48    HE1  TRP   6           1HE      TRP   6   7.559   5.402  -8.421
   49    HE3  TRP   6           3HE      TRP   6   2.408   6.804  -8.352
   50    HZ2  TRP   6           2HZ      TRP   6   7.181   8.144  -7.891
   51    HZ3  TRP   6           3HZ      TRP   6   3.032   9.129  -7.862
   52    HH2  TRP   6           HH       TRP   6   5.372   9.784  -7.630
   53    H    GLU   7           H        GLU   7   2.502   0.874  -6.485
   54    HA   GLU   7           HA       GLU   7   0.675  -0.303  -8.392
   55   1HB   GLU   7          2HB       GLU   7   2.375  -1.538  -6.889
   56   2HB   GLU   7          1HB       GLU   7   1.195  -1.322  -5.605
   57   1HG   GLU   7          2HG       GLU   7   0.731  -3.439  -6.390
   58   2HG   GLU   7          1HG       GLU   7  -0.454  -2.441  -7.232
   59    H    TYR   8           H        TYR   8  -1.499  -0.346  -8.263
   60    HA   TYR   8           HA       TYR   8  -2.819   1.420  -6.413
   61   1HB   TYR   8          2HB       TYR   8  -3.332   0.798  -8.955
   62   2HB   TYR   8          1HB       TYR   8  -4.306  -0.465  -8.217
   63    HD1  TYR   8           1HD      TYR   8  -6.452   0.261  -8.873
   64    HD2  TYR   8           2HD      TYR   8  -3.837   2.963  -6.886
   65    HE1  TYR   8           1HE      TYR   8  -8.301   1.863  -8.630
   66    HE2  TYR   8           2HE      TYR   8  -5.681   4.570  -6.631
   67    HH   TYR   8           HH       TYR   8  -7.779   5.098  -7.382
   68    H    CYS   9           H        CYS   9  -1.904   0.022  -4.615
   69    HA   CYS   9           HA       CYS   9  -2.826  -2.545  -4.051
   70   1HB   CYS   9          2HB       CYS   9  -2.275  -1.836  -1.612
   71   2HB   CYS   9          1HB       CYS   9  -0.983  -1.922  -2.805
   72    H    ILE  10           H        ILE  10  -4.456   0.499  -3.599
   73    HA   ILE  10           HA       ILE  10  -6.563   1.013  -2.904
   74    HB   ILE  10           HB       ILE  10  -7.040  -1.976  -3.029
   75   1HG1  ILE  10          2HG1      ILE  10  -6.397  -0.963  -5.190
   76   2HG1  ILE  10          1HG1      ILE  10  -8.066  -1.525  -5.197
   77   1HG2  ILE  10          1HG2      ILE  10  -9.436  -0.596  -3.459
   78   2HG2  ILE  10          2HG2      ILE  10  -8.695   0.166  -2.052
   79   3HG2  ILE  10          3HG2      ILE  10  -8.998  -1.570  -2.057
   80   1HD1  ILE  10          1HD1      ILE  10  -7.989   1.203  -4.362
   81   2HD1  ILE  10          2HD1      ILE  10  -8.771   0.487  -5.771
   82   3HD1  ILE  10          3HD1      ILE  10  -7.091   1.016  -5.869
   83    H    VAL  11           H        VAL  11  -5.708   1.761  -0.943
   84    HA   VAL  11           HA       VAL  11  -6.479   0.141   1.376
   85    HB   VAL  11           HB       VAL  11  -4.485   0.890   2.611
   86   1HG1  VAL  11          1HG1      VAL  11  -4.396  -1.285   1.545
   87   2HG1  VAL  11          2HG1      VAL  11  -2.810  -0.515   1.485
   88   3HG1  VAL  11          3HG1      VAL  11  -3.828  -0.552   0.045
   89   1HG2  VAL  11          1HG2      VAL  11  -2.655   2.007   1.542
   90   2HG2  VAL  11          2HG2      VAL  11  -4.121   2.949   1.271
   91   3HG2  VAL  11          3HG2      VAL  11  -3.468   1.941  -0.022
   92    HA   PRO  12           HA       PRO  12  -8.431   3.782   2.916
   93   1HB   PRO  12          2HB       PRO  12  -7.033   3.429   5.504
   94   2HB   PRO  12          1HB       PRO  12  -8.764   3.467   5.159
   95   1HG   PRO  12          2HG       PRO  12  -7.529   1.178   5.771
   96   2HG   PRO  12          1HG       PRO  12  -8.833   1.231   4.570
   97   1HD   PRO  12          2HD       PRO  12  -5.875   1.062   4.153
   98   2HD   PRO  12          1HD       PRO  12  -7.188   0.253   3.270
   99    H    ILE  13           H        ILE  13  -8.015   5.922   2.943
  100    HA   ILE  13           HA       ILE  13  -5.548   6.961   2.237
  101    HB   ILE  13           HB       ILE  13  -7.695   8.103   1.851
  102   1HG1  ILE  13          2HG1      ILE  13  -6.929  10.415   2.385
  103   2HG1  ILE  13          1HG1      ILE  13  -5.651   9.726   3.380
  104   1HG2  ILE  13          1HG2      ILE  13  -9.095   8.149   3.591
  105   2HG2  ILE  13          2HG2      ILE  13  -8.227   9.614   4.050
  106   3HG2  ILE  13          3HG2      ILE  13  -7.788   8.066   4.773
  107   1HD1  ILE  13          1HD1      ILE  13  -5.158  10.463   0.941
  108   2HD1  ILE  13          2HD1      ILE  13  -5.889   8.912   0.523
  109   3HD1  ILE  13          3HD1      ILE  13  -4.467   8.966   1.565
  110    H    LEU  14           H        LEU  14  -6.727   6.178   5.374
  111    HA   LEU  14           HA       LEU  14  -5.193   7.893   6.974
  112   1HB   LEU  14          2HB       LEU  14  -6.251   5.121   7.512
  113   2HB   LEU  14          1HB       LEU  14  -5.450   6.095   8.726
  114    HG   LEU  14           HG       LEU  14  -7.745   6.344   9.144
  115   1HD1  LEU  14          1HD1      LEU  14  -6.202   8.524   8.461
  116   2HD1  LEU  14          2HD1      LEU  14  -7.718   8.551   9.360
  117   3HD1  LEU  14          3HD1      LEU  14  -7.725   8.803   7.615
  118   1HD2  LEU  14          1HD2      LEU  14  -9.223   7.256   7.185
  119   2HD2  LEU  14          2HD2      LEU  14  -8.922   5.526   7.357
  120   3HD2  LEU  14          3HD2      LEU  14  -8.006   6.468   6.180
  121    H    GLY  15           H        GLY  15  -4.386   4.939   5.293
  122   1HA   GLY  15          2HA       GLY  15  -1.997   4.755   4.697
  123   2HA   GLY  15          1HA       GLY  15  -1.646   5.163   6.369
  124    H    PHE  16           H        PHE  16  -1.134   2.767   4.548
  125    HA   PHE  16           HA       PHE  16  -1.411   0.778   6.593
  126   1HB   PHE  16          2HB       PHE  16  -3.683   0.720   5.574
  127   2HB   PHE  16          1HB       PHE  16  -2.950   0.382   4.010
  128    HD1  PHE  16           1HD      PHE  16  -3.501  -1.765   3.408
  129    HD2  PHE  16           2HD      PHE  16  -2.289  -0.994   7.414
  130    HE1  PHE  16           1HE      PHE  16  -3.582  -4.175   3.893
  131    HE2  PHE  16           2HE      PHE  16  -2.366  -3.404   7.906
  132    HZ   PHE  16           HZ       PHE  16  -3.013  -4.998   6.143
  133    H    VAL  17           H        VAL  17   0.236  -0.683   6.369
  134    HA   VAL  17           HA       VAL  17   2.119  -0.248   4.264
  135    HB   VAL  17           HB       VAL  17   2.368  -2.731   5.828
  136   1HG1  VAL  17          1HG1      VAL  17   4.022  -1.150   4.283
  137   2HG1  VAL  17          2HG1      VAL  17   4.497  -2.521   5.285
  138   3HG1  VAL  17          3HG1      VAL  17   4.576  -0.884   5.937
  139   1HG2  VAL  17          1HG2      VAL  17   2.672  -1.851   7.919
  140   2HG2  VAL  17          2HG2      VAL  17   1.430  -0.749   7.324
  141   3HG2  VAL  17          3HG2      VAL  17   3.125  -0.263   7.302
  142    H    TYR  18           H        TYR  18   3.037  -2.178   3.123
  143    HA   TYR  18           HA       TYR  18   1.650  -4.489   2.483
  144   1HB   TYR  18          2HB       TYR  18  -0.062  -2.916   1.543
  145   2HB   TYR  18          1HB       TYR  18   1.162  -2.304   0.434
  146    HD1  TYR  18           1HD      TYR  18   0.189  -5.757   1.495
  147    HD2  TYR  18           2HD      TYR  18   0.689  -3.010  -1.716
  148    HE1  TYR  18           1HE      TYR  18  -0.376  -7.534  -0.104
  149    HE2  TYR  18           2HE      TYR  18   0.121  -4.782  -3.325
  150    HH   TYR  18           HH       TYR  18  -1.366  -7.122  -3.044
  151    H    CYS  19           H        CYS  19   3.485  -1.820   1.124
  152    HA   CYS  19           HA       CYS  19   5.036  -3.367  -0.683
  153   1HB   CYS  19          2HB       CYS  19   5.348  -0.620   0.493
  154   2HB   CYS  19          1HB       CYS  19   6.526  -1.288  -0.629
  155    H    CYS  20           H        CYS  20   7.518  -3.164  -0.507
  156    HA   CYS  20           HA       CYS  20   8.318  -4.669   1.767
  157   1HB   CYS  20          2HB       CYS  20   9.587  -3.724  -0.717
  158   2HB   CYS  20          1HB       CYS  20  10.675  -3.920   0.644
  159    HA   PRO  21           HA       PRO  21   9.554  -1.692   4.714
  160   1HB   PRO  21          2HB       PRO  21  12.366  -2.627   4.440
  161   2HB   PRO  21          1HB       PRO  21  11.367  -2.404   5.882
  162   1HG   PRO  21          2HG       PRO  21  11.814  -4.852   4.905
  163   2HG   PRO  21          1HG       PRO  21  10.228  -4.410   5.567
  164   1HD   PRO  21          2HD       PRO  21  11.076  -4.694   2.717
  165   2HD   PRO  21          1HD       PRO  21   9.515  -5.066   3.460
  166    H    GLY  22           H        GLY  22   9.433   0.232   4.023
  167   1HA   GLY  22          2HA       GLY  22  11.099   2.152   3.640
  168   2HA   GLY  22          1HA       GLY  22  11.404   1.304   2.131
  169    H    LEU  23           H        LEU  23   8.736   0.487   1.600
  170    HA   LEU  23           HA       LEU  23   7.532   3.105   0.973
  171   1HB   LEU  23          2HB       LEU  23   7.186   0.479  -0.478
  172   2HB   LEU  23          1HB       LEU  23   6.513   2.024  -0.960
  173    HG   LEU  23           HG       LEU  23   9.465   1.404  -0.846
  174   1HD1  LEU  23          1HD1      LEU  23   9.444   1.077  -3.153
  175   2HD1  LEU  23          2HD1      LEU  23   7.833   1.772  -3.331
  176   3HD1  LEU  23          3HD1      LEU  23   8.031   0.186  -2.586
  177   1HD2  LEU  23          1HD2      LEU  23   8.957   3.765  -0.512
  178   2HD2  LEU  23          2HD2      LEU  23   7.965   3.767  -1.969
  179   3HD2  LEU  23          3HD2      LEU  23   9.704   3.496  -2.086
  180    H    ILE  24           H        ILE  24   5.313   3.411   1.275
  181    HA   ILE  24           HA       ILE  24   3.821   1.219   2.553
  182    HB   ILE  24           HB       ILE  24   2.871   2.864   4.207
  183   1HG1  ILE  24          2HG1      ILE  24   5.283   4.507   3.403
  184   2HG1  ILE  24          1HG1      ILE  24   3.612   4.915   3.028
  185   1HG2  ILE  24          1HG2      ILE  24   5.592   1.725   4.241
  186   2HG2  ILE  24          2HG2      ILE  24   4.230   1.456   5.329
  187   3HG2  ILE  24          3HG2      ILE  24   5.220   2.905   5.497
  188   1HD1  ILE  24          1HD1      ILE  24   4.702   4.635   5.817
  189   2HD1  ILE  24          2HD1      ILE  24   3.108   5.227   5.346
  190   3HD1  ILE  24          3HD1      ILE  24   4.550   6.161   4.946
  191    H    CYS  25           H        CYS  25   1.647   1.184   2.123
  192    HA   CYS  25           HA       CYS  25   0.734   2.825  -0.044
  193   1HB   CYS  25          2HB       CYS  25  -0.443   0.535   1.482
  194   2HB   CYS  25          1HB       CYS  25  -1.455   1.499   0.414
  195    H    GLY  26           H        GLY  26  -0.753   4.416  -0.067
  196   1HA   GLY  26          2HA       GLY  26  -2.006   5.188   2.478
  197   2HA   GLY  26          1HA       GLY  26  -1.047   6.373   1.604
  198    HA   PRO  27           HA       PRO  27  -4.710   7.409  -0.645
  199   1HB   PRO  27          2HB       PRO  27  -3.688   8.505  -2.891
  200   2HB   PRO  27          1HB       PRO  27  -3.563   9.293  -1.314
  201   1HG   PRO  27          2HG       PRO  27  -1.517   7.712  -2.812
  202   2HG   PRO  27          1HG       PRO  27  -1.315   9.196  -1.865
  203   1HD   PRO  27          2HD       PRO  27  -0.700   6.684  -0.943
  204   2HD   PRO  27          1HD       PRO  27  -1.122   8.051   0.105
  205    H    PHE  28           H        PHE  28  -4.463   4.805  -0.782
  206    HA   PHE  28           HA       PHE  28  -5.064   2.941  -1.893
  207   1HB   PHE  28          2HB       PHE  28  -6.044   4.919  -3.980
  208   2HB   PHE  28          1HB       PHE  28  -6.312   3.180  -4.079
  209    HD1  PHE  28           1HD      PHE  28  -6.768   5.977  -1.635
  210    HD2  PHE  28           2HD      PHE  28  -8.294   2.369  -3.298
  211    HE1  PHE  28           1HE      PHE  28  -8.791   6.204  -0.256
  212    HE2  PHE  28           2HE      PHE  28 -10.322   2.591  -1.923
  213    HZ   PHE  28           HZ       PHE  28 -10.573   4.510  -0.400
  214    H    VAL  29           H        VAL  29  -2.442   4.427  -2.372
  215    HA   VAL  29           HA       VAL  29  -1.389   2.500  -4.281
  216    HB   VAL  29           HB       VAL  29   0.025   4.206  -5.435
  217   1HG1  VAL  29          1HG1      VAL  29  -2.944   4.212  -5.728
  218   2HG1  VAL  29          2HG1      VAL  29  -1.700   3.595  -6.816
  219   3HG1  VAL  29          3HG1      VAL  29  -1.981   5.331  -6.692
  220   1HG2  VAL  29          1HG2      VAL  29  -0.193   5.936  -3.643
  221   2HG2  VAL  29          2HG2      VAL  29  -1.821   6.270  -4.234
  222   3HG2  VAL  29          3HG2      VAL  29  -0.428   6.547  -5.280
  223    H    CYS  30           H        CYS  30   1.061   2.552  -4.095
  224    HA   CYS  30           HA       CYS  30   1.741   2.958  -1.300
  225   1HB   CYS  30          2HB       CYS  30   2.185   0.839  -2.684
  226   2HB   CYS  30          1HB       CYS  30   3.494   1.753  -3.416
  227    H    VAL  31           H        VAL  31   3.599   4.159  -0.631
  228    HA   VAL  31           HA       VAL  31   4.737   5.938  -2.666
  229    HB   VAL  31           HB       VAL  31   4.529   7.892  -1.173
  230   1HG1  VAL  31          1HG1      VAL  31   1.707   7.164  -1.242
  231   2HG1  VAL  31          2HG1      VAL  31   2.553   6.832  -2.754
  232   3HG1  VAL  31          3HG1      VAL  31   2.567   8.460  -2.075
  233   1HG2  VAL  31          1HG2      VAL  31   3.073   7.832   0.789
  234   2HG2  VAL  31          2HG2      VAL  31   4.434   6.725   0.967
  235   3HG2  VAL  31          3HG2      VAL  31   2.836   6.099   0.564
  Start of MODEL   16
    1   1H    ALA   1          1HT       ALA   1   6.669 -10.612   1.611
    2   2H    ALA   1          2HT       ALA   1   5.239 -11.304   2.185
    3   3H    ALA   1          3HT       ALA   1   5.602  -9.691   2.548
    4    HA   ALA   1           HA       ALA   1   5.575 -10.241  -0.268
    5   1HB   ALA   1          1HB       ALA   1   3.334 -11.113   1.409
    6   2HB   ALA   1          2HB       ALA   1   3.737 -11.532  -0.256
    7   3HB   ALA   1          3HB       ALA   1   2.880 -10.030   0.093
    8    H    CYS   2           H        CYS   2   5.011  -8.335  -1.349
    9    HA   CYS   2           HA       CYS   2   3.944  -6.105   0.183
   10   1HB   CYS   2          2HB       CYS   2   5.809  -4.636  -0.285
   11   2HB   CYS   2          1HB       CYS   2   6.340  -6.020   0.653
   12    H    SER   3           H        SER   3   4.997  -4.221  -1.906
   13    HA   SER   3           HA       SER   3   3.966  -5.113  -4.414
   14   1HB   SER   3          2HB       SER   3   1.853  -4.744  -3.146
   15   2HB   SER   3          1HB       SER   3   2.335  -3.071  -2.875
   16    HG   SER   3           HG       SER   3   1.620  -2.613  -4.786
   17    H    LYS   4           H        LYS   4   4.110  -3.448  -6.054
   18    HA   LYS   4           HA       LYS   4   6.427  -1.846  -5.815
   19   1HB   LYS   4          2HB       LYS   4   5.437  -2.833  -7.939
   20   2HB   LYS   4          1HB       LYS   4   4.247  -1.543  -7.887
   21   1HG   LYS   4          2HG       LYS   4   6.236   0.058  -7.874
   22   2HG   LYS   4          1HG       LYS   4   7.204  -1.342  -8.343
   23   1HD   LYS   4          2HD       LYS   4   4.836  -0.202  -9.828
   24   2HD   LYS   4          1HD       LYS   4   6.529  -0.118 -10.319
   25   1HE   LYS   4          2HE       LYS   4   6.568  -2.275 -11.036
   26   2HE   LYS   4          1HE       LYS   4   5.417  -2.816  -9.814
   27   1HZ   LYS   4          1HZ       LYS   4   4.285  -2.962 -11.841
   28   2HZ   LYS   4          2HZ       LYS   4   4.840  -1.460 -12.382
   29   3HZ   LYS   4          3HZ       LYS   4   3.696  -1.542 -11.129
   30    H    LYS   5           H        LYS   5   6.633   0.415  -5.662
   31    HA   LYS   5           HA       LYS   5   5.001   1.705  -3.875
   32   1HB   LYS   5          2HB       LYS   5   7.160   2.599  -4.183
   33   2HB   LYS   5          1HB       LYS   5   6.917   2.802  -5.913
   34   1HG   LYS   5          2HG       LYS   5   5.640   4.710  -5.644
   35   2HG   LYS   5          1HG       LYS   5   5.196   4.302  -4.001
   36   1HD   LYS   5          2HD       LYS   5   7.412   4.838  -3.219
   37   2HD   LYS   5          1HD       LYS   5   7.962   5.104  -4.877
   38   1HE   LYS   5          2HE       LYS   5   6.841   7.097  -5.076
   39   2HE   LYS   5          1HE       LYS   5   5.625   6.660  -3.877
   40   1HZ   LYS   5          1HZ       LYS   5   7.236   6.978  -2.129
   41   2HZ   LYS   5          2HZ       LYS   5   7.165   8.378  -3.082
   42   3HZ   LYS   5          3HZ       LYS   5   8.460   7.306  -3.257
   43    H    TRP   6           H        TRP   6   5.076   2.572  -7.320
   44    HA   TRP   6           HA       TRP   6   2.599   3.975  -6.981
   45   1HB   TRP   6          2HB       TRP   6   3.999   3.414  -9.595
   46   2HB   TRP   6          1HB       TRP   6   2.892   4.730  -9.217
   47    HD1  TRP   6           HD       TRP   6   6.510   3.599  -8.574
   48    HE1  TRP   6           1HE      TRP   6   7.911   5.649  -7.915
   49    HE3  TRP   6           3HE      TRP   6   2.761   7.038  -8.138
   50    HZ2  TRP   6           2HZ      TRP   6   7.483   8.361  -7.274
   51    HZ3  TRP   6           3HZ      TRP   6   3.338   9.338  -7.490
   52    HH2  TRP   6           HH       TRP   6   5.652   9.984  -7.061
   53    H    GLU   7           H        GLU   7   2.662   1.070  -6.523
   54    HA   GLU   7           HA       GLU   7   0.910   0.129  -8.694
   55   1HB   GLU   7          2HB       GLU   7   2.855  -1.198  -7.319
   56   2HB   GLU   7          1HB       GLU   7   1.430  -1.648  -6.395
   57   1HG   GLU   7          2HG       GLU   7   1.756  -3.333  -8.009
   58   2HG   GLU   7          1HG       GLU   7   0.382  -2.374  -8.557
   59    H    TYR   8           H        TYR   8  -1.235  -0.244  -8.378
   60    HA   TYR   8           HA       TYR   8  -2.572   1.180  -6.356
   61   1HB   TYR   8          2HB       TYR   8  -3.651   0.748  -8.482
   62   2HB   TYR   8          1HB       TYR   8  -3.527  -0.990  -8.247
   63    HD1  TYR   8           1HD      TYR   8  -5.508  -2.034  -7.766
   64    HD2  TYR   8           2HD      TYR   8  -4.911   1.925  -6.339
   65    HE1  TYR   8           1HE      TYR   8  -7.753  -2.065  -6.764
   66    HE2  TYR   8           2HE      TYR   8  -7.152   1.906  -5.328
   67    HH   TYR   8           HH       TYR   8  -8.800  -0.510  -4.555
   68    H    CYS   9           H        CYS   9  -2.797   0.681  -4.294
   69    HA   CYS   9           HA       CYS   9  -2.113  -1.903  -3.282
   70   1HB   CYS   9          2HB       CYS   9  -3.321   0.498  -1.888
   71   2HB   CYS   9          1HB       CYS   9  -2.753  -0.954  -1.071
   72    H    ILE  10           H        ILE  10  -3.553  -3.313  -4.255
   73    HA   ILE  10           HA       ILE  10  -6.366  -3.057  -4.165
   74    HB   ILE  10           HB       ILE  10  -6.500  -5.377  -4.832
   75   1HG1  ILE  10          2HG1      ILE  10  -4.673  -6.191  -3.274
   76   2HG1  ILE  10          1HG1      ILE  10  -4.675  -6.907  -4.879
   77   1HG2  ILE  10          1HG2      ILE  10  -4.921  -5.312  -6.815
   78   2HG2  ILE  10          2HG2      ILE  10  -4.336  -3.782  -6.162
   79   3HG2  ILE  10          3HG2      ILE  10  -6.029  -3.953  -6.630
   80   1HD1  ILE  10          1HD1      ILE  10  -2.953  -4.537  -4.456
   81   2HD1  ILE  10          2HD1      ILE  10  -2.687  -5.976  -5.441
   82   3HD1  ILE  10          3HD1      ILE  10  -2.468  -6.051  -3.692
   83    H    VAL  11           H        VAL  11  -4.035  -4.101  -1.888
   84    HA   VAL  11           HA       VAL  11  -5.660  -5.727  -0.252
   85    HB   VAL  11           HB       VAL  11  -3.933  -5.397   1.474
   86   1HG1  VAL  11          1HG1      VAL  11  -2.676  -6.915   0.436
   87   2HG1  VAL  11          2HG1      VAL  11  -2.149  -5.751  -0.780
   88   3HG1  VAL  11          3HG1      VAL  11  -3.664  -6.627  -0.996
   89   1HG2  VAL  11          1HG2      VAL  11  -2.110  -3.866  -0.217
   90   2HG2  VAL  11          2HG2      VAL  11  -2.470  -3.699   1.502
   91   3HG2  VAL  11          3HG2      VAL  11  -3.520  -2.942   0.303
   92    HA   PRO  12           HA       PRO  12  -8.409  -2.845   1.623
   93   1HB   PRO  12          2HB       PRO  12  -7.968  -4.511   4.057
   94   2HB   PRO  12          1HB       PRO  12  -9.482  -4.020   3.286
   95   1HG   PRO  12          2HG       PRO  12  -8.567  -6.500   3.001
   96   2HG   PRO  12          1HG       PRO  12  -9.325  -5.651   1.640
   97   1HD   PRO  12          2HD       PRO  12  -6.437  -6.197   2.165
   98   2HD   PRO  12          1HD       PRO  12  -7.319  -6.172   0.625
   99    H    ILE  13           H        ILE  13  -7.858  -0.907   2.212
  100    HA   ILE  13           HA       ILE  13  -5.474  -0.072   3.347
  101    HB   ILE  13           HB       ILE  13  -7.025   1.378   2.082
  102   1HG1  ILE  13          2HG1      ILE  13  -6.383   2.460   4.836
  103   2HG1  ILE  13          1HG1      ILE  13  -5.241   2.354   3.501
  104   1HG2  ILE  13          1HG2      ILE  13  -9.167   1.460   2.640
  105   2HG2  ILE  13          2HG2      ILE  13  -8.721   2.361   4.089
  106   3HG2  ILE  13          3HG2      ILE  13  -8.848   0.603   4.148
  107   1HD1  ILE  13          1HD1      ILE  13  -7.135   3.767   2.290
  108   2HD1  ILE  13          2HD1      ILE  13  -5.869   4.513   3.262
  109   3HD1  ILE  13          3HD1      ILE  13  -7.468   4.243   3.955
  110    H    LEU  14           H        LEU  14  -8.150  -1.498   4.881
  111    HA   LEU  14           HA       LEU  14  -8.159  -0.383   7.422
  112   1HB   LEU  14          2HB       LEU  14  -9.821  -2.002   6.601
  113   2HB   LEU  14          1HB       LEU  14  -8.609  -3.267   6.642
  114    HG   LEU  14           HG       LEU  14  -8.446  -2.971   9.109
  115   1HD1  LEU  14          1HD1      LEU  14 -10.810  -1.145   8.701
  116   2HD1  LEU  14          2HD1      LEU  14  -9.208  -0.671   9.267
  117   3HD1  LEU  14          3HD1      LEU  14 -10.216  -1.727  10.257
  118   1HD2  LEU  14          1HD2      LEU  14 -10.549  -4.147   7.583
  119   2HD2  LEU  14          2HD2      LEU  14 -11.204  -3.561   9.111
  120   3HD2  LEU  14          3HD2      LEU  14  -9.848  -4.688   9.108
  121    H    GLY  15           H        GLY  15  -5.988  -2.775   5.992
  122   1HA   GLY  15          2HA       GLY  15  -3.704  -2.372   7.193
  123   2HA   GLY  15          1HA       GLY  15  -4.587  -3.024   8.564
  124    H    PHE  16           H        PHE  16  -4.519  -3.963   5.130
  125    HA   PHE  16           HA       PHE  16  -3.828  -6.674   6.035
  126   1HB   PHE  16          2HB       PHE  16  -5.359  -5.715   3.621
  127   2HB   PHE  16          1HB       PHE  16  -4.714  -7.347   3.731
  128    HD1  PHE  16           1HD      PHE  16  -6.568  -5.076   6.063
  129    HD2  PHE  16           2HD      PHE  16  -6.324  -8.893   4.197
  130    HE1  PHE  16           1HE      PHE  16  -8.583  -5.794   7.277
  131    HE2  PHE  16           2HE      PHE  16  -8.340  -9.617   5.407
  132    HZ   PHE  16           HZ       PHE  16  -9.472  -8.066   6.950
  133    H    VAL  17           H        VAL  17  -2.003  -7.591   5.392
  134    HA   VAL  17           HA       VAL  17   0.060  -7.884   4.493
  135    HB   VAL  17           HB       VAL  17  -0.771  -6.343   2.045
  136   1HG1  VAL  17          1HG1      VAL  17   1.386  -8.100   2.742
  137   2HG1  VAL  17          2HG1      VAL  17   1.127  -7.197   1.248
  138   3HG1  VAL  17          3HG1      VAL  17   0.443  -8.811   1.432
  139   1HG2  VAL  17          1HG2      VAL  17  -2.541  -7.657   1.732
  140   2HG2  VAL  17          2HG2      VAL  17  -2.156  -8.600   3.172
  141   3HG2  VAL  17          3HG2      VAL  17  -1.439  -9.030   1.619
  142    H    TYR  18           H        TYR  18   1.593  -6.164   2.836
  143    HA   TYR  18           HA       TYR  18   1.699  -3.534   3.944
  144   1HB   TYR  18          2HB       TYR  18   3.853  -3.829   5.146
  145   2HB   TYR  18          1HB       TYR  18   2.556  -4.765   5.882
  146    HD1  TYR  18           1HD      TYR  18   5.708  -4.935   4.020
  147    HD2  TYR  18           2HD      TYR  18   2.554  -7.205   5.756
  148    HE1  TYR  18           1HE      TYR  18   7.059  -6.975   3.792
  149    HE2  TYR  18           2HE      TYR  18   3.901  -9.250   5.537
  150    HH   TYR  18           HH       TYR  18   6.871  -9.493   5.286
  151    H    CYS  19           H        CYS  19   3.304  -2.237   2.939
  152    HA   CYS  19           HA       CYS  19   4.082  -3.122   0.326
  153   1HB   CYS  19          2HB       CYS  19   4.259  -0.638   1.898
  154   2HB   CYS  19          1HB       CYS  19   5.435  -0.813   0.602
  155    H    CYS  20           H        CYS  20   6.417  -2.662  -0.399
  156    HA   CYS  20           HA       CYS  20   8.122  -4.423   1.015
  157   1HB   CYS  20          2HB       CYS  20   9.063  -2.399  -1.001
  158   2HB   CYS  20          1HB       CYS  20   9.726  -3.990  -0.668
  159    HA   PRO  21           HA       PRO  21   9.966  -1.917   4.104
  160   1HB   PRO  21          2HB       PRO  21  12.615  -2.730   3.020
  161   2HB   PRO  21          1HB       PRO  21  11.986  -2.796   4.672
  162   1HG   PRO  21          2HG       PRO  21  12.158  -5.014   3.194
  163   2HG   PRO  21          1HG       PRO  21  10.776  -4.743   4.274
  164   1HD   PRO  21          2HD       PRO  21  10.941  -4.480   1.302
  165   2HD   PRO  21          1HD       PRO  21   9.596  -5.051   2.308
  166    H    GLY  22           H        GLY  22   9.841   0.131   3.879
  167   1HA   GLY  22          2HA       GLY  22  11.161   2.172   3.497
  168   2HA   GLY  22          1HA       GLY  22  11.565   1.506   1.922
  169    H    LEU  23           H        LEU  23   8.676   0.502   1.748
  170    HA   LEU  23           HA       LEU  23   7.499   3.090   0.972
  171   1HB   LEU  23          2HB       LEU  23   6.997   0.376  -0.253
  172   2HB   LEU  23          1HB       LEU  23   6.370   1.911  -0.821
  173    HG   LEU  23           HG       LEU  23   9.301   1.186  -0.790
  174   1HD1  LEU  23          1HD1      LEU  23   7.335   0.164  -2.460
  175   2HD1  LEU  23          2HD1      LEU  23   9.075   0.171  -2.754
  176   3HD1  LEU  23          3HD1      LEU  23   8.068   1.472  -3.389
  177   1HD2  LEU  23          1HD2      LEU  23   9.728   3.197  -1.795
  178   2HD2  LEU  23          2HD2      LEU  23   8.378   3.652  -0.755
  179   3HD2  LEU  23          3HD2      LEU  23   8.103   3.333  -2.467
  180    H    ILE  24           H        ILE  24   5.213   3.320   1.230
  181    HA   ILE  24           HA       ILE  24   3.856   1.279   2.847
  182    HB   ILE  24           HB       ILE  24   2.922   3.119   4.323
  183   1HG1  ILE  24          2HG1      ILE  24   5.334   4.624   3.285
  184   2HG1  ILE  24          1HG1      ILE  24   3.659   5.016   2.914
  185   1HG2  ILE  24          1HG2      ILE  24   4.274   2.164   5.792
  186   2HG2  ILE  24          2HG2      ILE  24   5.583   3.223   5.268
  187   3HG2  ILE  24          3HG2      ILE  24   5.355   1.655   4.495
  188   1HD1  ILE  24          1HD1      ILE  24   4.913   6.327   4.757
  189   2HD1  ILE  24          2HD1      ILE  24   4.571   4.911   5.752
  190   3HD1  ILE  24          3HD1      ILE  24   3.246   5.824   5.031
  191    H    CYS  25           H        CYS  25   1.717   1.060   2.377
  192    HA   CYS  25           HA       CYS  25   0.665   2.363   0.085
  193   1HB   CYS  25          2HB       CYS  25  -0.485   0.481   2.116
  194   2HB   CYS  25          1HB       CYS  25  -1.551   1.282   0.970
  195    H    GLY  26           H        GLY  26  -0.676   4.060  -0.145
  196   1HA   GLY  26          2HA       GLY  26  -1.760   5.325   2.283
  197   2HA   GLY  26          1HA       GLY  26  -0.839   6.277   1.126
  198    HA   PRO  27           HA       PRO  27  -4.796   7.128  -0.714
  199   1HB   PRO  27          2HB       PRO  27  -3.931   8.419  -2.931
  200   2HB   PRO  27          1HB       PRO  27  -3.889   9.151  -1.323
  201   1HG   PRO  27          2HG       PRO  27  -1.684   7.851  -2.870
  202   2HG   PRO  27          1HG       PRO  27  -1.648   9.337  -1.904
  203   1HD   PRO  27          2HD       PRO  27  -0.715   6.949  -0.994
  204   2HD   PRO  27          1HD       PRO  27  -1.395   8.193   0.072
  205    H    PHE  28           H        PHE  28  -4.456   4.589  -0.994
  206    HA   PHE  28           HA       PHE  28  -4.972   2.762  -2.207
  207   1HB   PHE  28          2HB       PHE  28  -5.928   4.839  -4.197
  208   2HB   PHE  28          1HB       PHE  28  -6.074   3.109  -4.491
  209    HD1  PHE  28           1HD      PHE  28  -8.197   2.355  -4.192
  210    HD2  PHE  28           2HD      PHE  28  -6.713   5.344  -1.551
  211    HE1  PHE  28           1HE      PHE  28 -10.324   2.317  -2.958
  212    HE2  PHE  28           2HE      PHE  28  -8.837   5.307  -0.310
  213    HZ   PHE  28           HZ       PHE  28 -10.646   3.793  -1.013
  214    H    VAL  29           H        VAL  29  -2.358   4.275  -2.462
  215    HA   VAL  29           HA       VAL  29  -1.169   2.458  -4.384
  216    HB   VAL  29           HB       VAL  29   0.242   4.255  -5.425
  217   1HG1  VAL  29          1HG1      VAL  29  -2.626   3.872  -5.940
  218   2HG1  VAL  29          2HG1      VAL  29  -1.242   3.727  -7.023
  219   3HG1  VAL  29          3HG1      VAL  29  -1.919   5.316  -6.665
  220   1HG2  VAL  29          1HG2      VAL  29  -0.943   6.585  -5.357
  221   2HG2  VAL  29          2HG2      VAL  29   0.168   6.116  -4.070
  222   3HG2  VAL  29          3HG2      VAL  29  -1.573   6.001  -3.817
  223    H    CYS  30           H        CYS  30   1.230   2.466  -4.040
  224    HA   CYS  30           HA       CYS  30   1.761   2.919  -1.218
  225   1HB   CYS  30          2HB       CYS  30   2.366   0.797  -2.600
  226   2HB   CYS  30          1HB       CYS  30   3.702   1.765  -3.203
  227    H    VAL  31           H        VAL  31   3.580   4.159  -0.473
  228    HA   VAL  31           HA       VAL  31   4.797   5.931  -2.467
  229    HB   VAL  31           HB       VAL  31   4.521   7.884  -0.935
  230   1HG1  VAL  31          1HG1      VAL  31   2.846   8.424  -2.281
  231   2HG1  VAL  31          2HG1      VAL  31   1.736   7.473  -1.293
  232   3HG1  VAL  31          3HG1      VAL  31   2.581   6.719  -2.646
  233   1HG2  VAL  31          1HG2      VAL  31   2.673   6.023   0.553
  234   2HG2  VAL  31          2HG2      VAL  31   2.740   7.769   0.792
  235   3HG2  VAL  31          3HG2      VAL  31   4.148   6.772   1.163
  Start of MODEL   17
    1   1H    ALA   1          1HT       ALA   1   4.243 -10.639   1.385
    2   2H    ALA   1          2HT       ALA   1   3.700 -11.869   0.352
    3   3H    ALA   1          3HT       ALA   1   2.760 -10.482   0.582
    4    HA   ALA   1           HA       ALA   1   5.459 -10.450  -0.621
    5   1HB   ALA   1          1HB       ALA   1   3.151 -11.487  -1.779
    6   2HB   ALA   1          2HB       ALA   1   4.620 -10.987  -2.616
    7   3HB   ALA   1          3HB       ALA   1   3.281  -9.854  -2.431
    8    H    CYS   2           H        CYS   2   6.145  -8.415  -1.196
    9    HA   CYS   2           HA       CYS   2   4.634  -6.202  -0.034
   10   1HB   CYS   2          2HB       CYS   2   6.659  -4.958  -0.141
   11   2HB   CYS   2          1HB       CYS   2   7.048  -6.548   0.492
   12    H    SER   3           H        SER   3   3.778  -4.564  -1.164
   13    HA   SER   3           HA       SER   3   3.461  -4.960  -4.011
   14   1HB   SER   3          2HB       SER   3   2.239  -2.857  -2.216
   15   2HB   SER   3          1HB       SER   3   1.717  -3.283  -3.847
   16    HG   SER   3           HG       SER   3   0.937  -4.358  -1.569
   17    H    LYS   4           H        LYS   4   3.889  -3.462  -5.601
   18    HA   LYS   4           HA       LYS   4   6.280  -1.948  -5.320
   19   1HB   LYS   4          2HB       LYS   4   5.320  -3.141  -7.397
   20   2HB   LYS   4          1HB       LYS   4   4.299  -1.727  -7.584
   21   1HG   LYS   4          2HG       LYS   4   7.205  -1.245  -7.320
   22   2HG   LYS   4          1HG       LYS   4   6.650  -2.015  -8.805
   23   1HD   LYS   4          2HD       LYS   4   5.772   0.646  -7.688
   24   2HD   LYS   4          1HD       LYS   4   6.725   0.363  -9.144
   25   1HE   LYS   4          2HE       LYS   4   3.829  -0.322  -8.675
   26   2HE   LYS   4          1HE       LYS   4   4.483   0.855  -9.809
   27   1HZ   LYS   4          1HZ       LYS   4   4.205  -2.022 -10.060
   28   2HZ   LYS   4          2HZ       LYS   4   5.679  -1.398 -10.628
   29   3HZ   LYS   4          3HZ       LYS   4   4.219  -0.821 -11.255
   30    H    LYS   5           H        LYS   5   6.534   0.316  -5.305
   31    HA   LYS   5           HA       LYS   5   4.842   1.773  -3.745
   32   1HB   LYS   5          2HB       LYS   5   7.046   2.579  -4.064
   33   2HB   LYS   5          1HB       LYS   5   6.819   2.724  -5.801
   34   1HG   LYS   5          2HG       LYS   5   5.575   4.664  -5.609
   35   2HG   LYS   5          1HG       LYS   5   5.116   4.325  -3.955
   36   1HD   LYS   5          2HD       LYS   5   7.326   4.856  -3.172
   37   2HD   LYS   5          1HD       LYS   5   7.910   5.021  -4.832
   38   1HE   LYS   5          2HE       LYS   5   6.837   7.029  -5.155
   39   2HE   LYS   5          1HE       LYS   5   5.609   6.697  -3.938
   40   1HZ   LYS   5          1HZ       LYS   5   7.196   8.409  -3.235
   41   2HZ   LYS   5          2HZ       LYS   5   8.460   7.296  -3.350
   42   3HZ   LYS   5          3HZ       LYS   5   7.231   7.062  -2.205
   43    H    TRP   6           H        TRP   6   5.072   2.504  -7.207
   44    HA   TRP   6           HA       TRP   6   2.547   3.854  -7.036
   45   1HB   TRP   6          2HB       TRP   6   4.073   3.285  -9.576
   46   2HB   TRP   6          1HB       TRP   6   2.951   4.601  -9.247
   47    HD1  TRP   6           HD       TRP   6   6.548   3.488  -8.459
   48    HE1  TRP   6           1HE      TRP   6   7.921   5.557  -7.798
   49    HE3  TRP   6           3HE      TRP   6   2.779   6.926  -8.236
   50    HZ2  TRP   6           2HZ      TRP   6   7.464   8.283  -7.236
   51    HZ3  TRP   6           3HZ      TRP   6   3.327   9.242  -7.622
   52    HH2  TRP   6           HH       TRP   6   5.624   9.904  -7.126
   53    H    GLU   7           H        GLU   7   2.524   1.030  -6.446
   54    HA   GLU   7           HA       GLU   7   1.213  -0.167  -8.779
   55   1HB   GLU   7          2HB       GLU   7   2.699  -1.294  -6.826
   56   2HB   GLU   7          1HB       GLU   7   1.093  -1.549  -6.160
   57   1HG   GLU   7          2HG       GLU   7   1.760  -3.483  -7.418
   58   2HG   GLU   7          1HG       GLU   7   0.431  -2.674  -8.250
   59    H    TYR   8           H        TYR   8  -0.304  -1.365  -6.107
   60    HA   TYR   8           HA       TYR   8  -2.367   0.654  -5.883
   61   1HB   TYR   8          2HB       TYR   8  -2.985  -0.705  -7.902
   62   2HB   TYR   8          1HB       TYR   8  -3.037  -2.133  -6.877
   63    HD1  TYR   8           1HD      TYR   8  -4.411   1.347  -6.647
   64    HD2  TYR   8           2HD      TYR   8  -5.182  -2.830  -6.443
   65    HE1  TYR   8           1HE      TYR   8  -6.767   1.815  -6.133
   66    HE2  TYR   8           2HE      TYR   8  -7.543  -2.373  -5.926
   67    HH   TYR   8           HH       TYR   8  -8.797  -0.233  -4.794
   68    H    CYS   9           H        CYS   9  -3.327   0.562  -3.906
   69    HA   CYS   9           HA       CYS   9  -2.618  -1.746  -2.216
   70   1HB   CYS   9          2HB       CYS   9  -2.786   1.178  -1.497
   71   2HB   CYS   9          1HB       CYS   9  -2.695  -0.106  -0.297
   72    H    ILE  10           H        ILE  10  -4.055  -1.535  -0.082
   73    HA   ILE  10           HA       ILE  10  -6.075  -1.819   0.893
   74    HB   ILE  10           HB       ILE  10  -7.292  -0.179  -1.342
   75   1HG1  ILE  10          2HG1      ILE  10  -6.100   0.762   1.281
   76   2HG1  ILE  10          1HG1      ILE  10  -5.395   1.026  -0.309
   77   1HG2  ILE  10          1HG2      ILE  10  -8.311  -0.006   1.416
   78   2HG2  ILE  10          2HG2      ILE  10  -8.549  -1.563   0.624
   79   3HG2  ILE  10          3HG2      ILE  10  -9.186  -0.094  -0.114
   80   1HD1  ILE  10          1HD1      ILE  10  -8.028   2.116   0.656
   81   2HD1  ILE  10          2HD1      ILE  10  -7.318   2.386  -0.937
   82   3HD1  ILE  10          3HD1      ILE  10  -6.518   3.015   0.504
   83    H    VAL  11           H        VAL  11  -5.163  -3.852  -0.444
   84    HA   VAL  11           HA       VAL  11  -7.524  -5.059  -1.711
   85    HB   VAL  11           HB       VAL  11  -4.671  -5.624  -2.567
   86   1HG1  VAL  11          1HG1      VAL  11  -6.447  -7.373  -2.938
   87   2HG1  VAL  11          2HG1      VAL  11  -5.590  -6.831  -4.381
   88   3HG1  VAL  11          3HG1      VAL  11  -7.217  -6.237  -4.046
   89   1HG2  VAL  11          1HG2      VAL  11  -5.730  -3.249  -3.050
   90   2HG2  VAL  11          2HG2      VAL  11  -6.512  -4.137  -4.359
   91   3HG2  VAL  11          3HG2      VAL  11  -4.752  -4.093  -4.250
   92    HA   PRO  12           HA       PRO  12  -7.244  -8.132   1.473
   93   1HB   PRO  12          2HB       PRO  12  -7.572 -10.378  -0.218
   94   2HB   PRO  12          1HB       PRO  12  -8.829  -9.523   0.679
   95   1HG   PRO  12          2HG       PRO  12  -8.021  -9.256  -2.167
   96   2HG   PRO  12          1HG       PRO  12  -9.619  -9.062  -1.426
   97   1HD   PRO  12          2HD       PRO  12  -8.206  -6.942  -2.230
   98   2HD   PRO  12          1HD       PRO  12  -9.168  -6.886  -0.736
   99    H    ILE  13           H        ILE  13  -5.917  -9.730   2.307
  100    HA   ILE  13           HA       ILE  13  -3.226  -9.609   1.923
  101    HB   ILE  13           HB       ILE  13  -4.645 -12.102   2.864
  102   1HG1  ILE  13          2HG1      ILE  13  -5.584 -10.136   3.992
  103   2HG1  ILE  13          1HG1      ILE  13  -4.624 -11.100   5.107
  104   1HG2  ILE  13          1HG2      ILE  13  -2.005 -11.779   2.513
  105   2HG2  ILE  13          2HG2      ILE  13  -2.697 -12.779   3.790
  106   3HG2  ILE  13          3HG2      ILE  13  -2.167 -11.134   4.147
  107   1HD1  ILE  13          1HD1      ILE  13  -3.644  -9.194   5.679
  108   2HD1  ILE  13          2HD1      ILE  13  -4.309  -8.343   4.286
  109   3HD1  ILE  13          3HD1      ILE  13  -2.817  -9.268   4.123
  110    H    LEU  14           H        LEU  14  -5.442 -11.429  -0.002
  111    HA   LEU  14           HA       LEU  14  -3.822 -13.442  -1.031
  112   1HB   LEU  14          2HB       LEU  14  -6.004 -11.909  -2.445
  113   2HB   LEU  14          1HB       LEU  14  -5.357 -13.461  -2.944
  114    HG   LEU  14           HG       LEU  14  -6.854 -12.942  -0.371
  115   1HD1  LEU  14          1HD1      LEU  14  -8.624 -12.975  -1.746
  116   2HD1  LEU  14          2HD1      LEU  14  -8.332 -14.713  -1.802
  117   3HD1  LEU  14          3HD1      LEU  14  -7.704 -13.672  -3.080
  118   1HD2  LEU  14          1HD2      LEU  14  -5.020 -14.864  -0.720
  119   2HD2  LEU  14          2HD2      LEU  14  -6.423 -15.673  -1.416
  120   3HD2  LEU  14          3HD2      LEU  14  -6.479 -15.088   0.246
  121    H    GLY  15           H        GLY  15  -3.944 -10.017  -1.834
  122   1HA   GLY  15          2HA       GLY  15  -1.425 -10.121  -3.140
  123   2HA   GLY  15          1HA       GLY  15  -2.717 -10.033  -4.328
  124    H    PHE  16           H        PHE  16  -0.637  -8.087  -3.747
  125    HA   PHE  16           HA       PHE  16  -0.356  -5.845  -3.609
  126   1HB   PHE  16          2HB       PHE  16  -3.358  -5.869  -3.968
  127   2HB   PHE  16          1HB       PHE  16  -2.405  -4.392  -3.918
  128    HD1  PHE  16           1HD      PHE  16  -2.036  -3.457  -5.962
  129    HD2  PHE  16           2HD      PHE  16  -2.161  -7.700  -5.663
  130    HE1  PHE  16           1HE      PHE  16  -1.625  -3.636  -8.380
  131    HE2  PHE  16           2HE      PHE  16  -1.746  -7.887  -8.080
  132    HZ   PHE  16           HZ       PHE  16  -1.478  -5.853  -9.443
  133    H    VAL  17           H        VAL  17  -0.154  -7.095  -1.311
  134    HA   VAL  17           HA       VAL  17  -1.744  -5.789   0.744
  135    HB   VAL  17           HB       VAL  17   0.559  -7.525   1.443
  136   1HG1  VAL  17          1HG1      VAL  17  -1.669  -6.469   2.758
  137   2HG1  VAL  17          2HG1      VAL  17  -0.502  -7.630   3.392
  138   3HG1  VAL  17          3HG1      VAL  17  -1.982  -8.199   2.619
  139   1HG2  VAL  17          1HG2      VAL  17  -1.665  -9.234   0.999
  140   2HG2  VAL  17          2HG2      VAL  17  -0.059  -9.305   0.276
  141   3HG2  VAL  17          3HG2      VAL  17  -1.332  -8.360  -0.495
  142    H    TYR  18           H        TYR  18   0.618  -6.105   2.498
  143    HA   TYR  18           HA       TYR  18   1.434  -3.490   2.790
  144   1HB   TYR  18          2HB       TYR  18   3.255  -4.398   4.210
  145   2HB   TYR  18          1HB       TYR  18   1.697  -5.141   4.558
  146    HD1  TYR  18           1HD      TYR  18   1.324  -7.482   4.151
  147    HD2  TYR  18           2HD      TYR  18   5.014  -5.681   3.039
  148    HE1  TYR  18           1HE      TYR  18   2.302  -9.710   3.804
  149    HE2  TYR  18           2HE      TYR  18   6.001  -7.904   2.688
  150    HH   TYR  18           HH       TYR  18   5.241 -10.461   3.805
  151    H    CYS  19           H        CYS  19   3.183  -2.287   2.167
  152    HA   CYS  19           HA       CYS  19   4.372  -2.905  -0.358
  153   1HB   CYS  19          2HB       CYS  19   4.826  -0.728   1.647
  154   2HB   CYS  19          1HB       CYS  19   5.602  -0.750   0.069
  155    H    CYS  20           H        CYS  20   6.763  -2.555  -0.670
  156    HA   CYS  20           HA       CYS  20   8.228  -4.465   0.875
  157   1HB   CYS  20          2HB       CYS  20   9.368  -2.437  -1.049
  158   2HB   CYS  20          1HB       CYS  20  10.069  -3.978  -0.582
  159    HA   PRO  21           HA       PRO  21   9.814  -2.015   4.153
  160   1HB   PRO  21          2HB       PRO  21  12.551  -2.805   3.303
  161   2HB   PRO  21          1HB       PRO  21  11.772  -2.906   4.887
  162   1HG   PRO  21          2HG       PRO  21  12.093  -5.092   3.381
  163   2HG   PRO  21          1HG       PRO  21  10.626  -4.854   4.347
  164   1HD   PRO  21          2HD       PRO  21  11.031  -4.536   1.405
  165   2HD   PRO  21          1HD       PRO  21   9.609  -5.122   2.287
  166    H    GLY  22           H        GLY  22   9.701   0.037   3.933
  167   1HA   GLY  22          2HA       GLY  22  11.128   2.057   3.668
  168   2HA   GLY  22          1HA       GLY  22  11.523   1.425   2.076
  169    H    LEU  23           H        LEU  23   8.771   0.501   1.576
  170    HA   LEU  23           HA       LEU  23   7.616   3.119   0.925
  171   1HB   LEU  23          2HB       LEU  23   6.996   0.404  -0.245
  172   2HB   LEU  23          1HB       LEU  23   6.422   1.951  -0.837
  173    HG   LEU  23           HG       LEU  23   9.323   1.120  -0.813
  174   1HD1  LEU  23          1HD1      LEU  23   7.489   1.250  -3.192
  175   2HD1  LEU  23          2HD1      LEU  23   7.820  -0.240  -2.310
  176   3HD1  LEU  23          3HD1      LEU  23   9.133   0.619  -3.116
  177   1HD2  LEU  23          1HD2      LEU  23   9.728   3.051  -2.126
  178   2HD2  LEU  23          2HD2      LEU  23   8.768   3.577  -0.742
  179   3HD2  LEU  23          3HD2      LEU  23   8.004   3.367  -2.318
  180    H    ILE  24           H        ILE  24   5.372   3.490   1.280
  181    HA   ILE  24           HA       ILE  24   4.016   1.519   2.996
  182    HB   ILE  24           HB       ILE  24   3.126   3.434   4.384
  183   1HG1  ILE  24          2HG1      ILE  24   5.479   4.900   3.166
  184   2HG1  ILE  24          1HG1      ILE  24   3.786   5.246   2.829
  185   1HG2  ILE  24          1HG2      ILE  24   4.540   2.351   5.731
  186   2HG2  ILE  24          2HG2      ILE  24   5.648   3.684   5.410
  187   3HG2  ILE  24          3HG2      ILE  24   5.767   2.194   4.474
  188   1HD1  ILE  24          1HD1      ILE  24   3.616   6.525   4.628
  189   2HD1  ILE  24          2HD1      ILE  24   5.368   6.395   4.788
  190   3HD1  ILE  24          3HD1      ILE  24   4.317   5.281   5.663
  191    H    CYS  25           H        CYS  25   1.916   1.222   2.559
  192    HA   CYS  25           HA       CYS  25   0.753   2.303   0.234
  193   1HB   CYS  25          2HB       CYS  25  -0.305   0.677   2.521
  194   2HB   CYS  25          1HB       CYS  25  -1.406   1.311   1.304
  195    H    GLY  26           H        GLY  26  -0.697   3.907  -0.127
  196   1HA   GLY  26          2HA       GLY  26  -1.691   5.440   2.175
  197   2HA   GLY  26          1HA       GLY  26  -0.807   6.270   0.903
  198    HA   PRO  27           HA       PRO  27  -4.933   6.987  -0.701
  199   1HB   PRO  27          2HB       PRO  27  -4.163   8.390  -2.899
  200   2HB   PRO  27          1HB       PRO  27  -4.210   9.080  -1.273
  201   1HG   PRO  27          2HG       PRO  27  -1.876   7.997  -2.805
  202   2HG   PRO  27          1HG       PRO  27  -1.984   9.471  -1.825
  203   1HD   PRO  27          2HD       PRO  27  -0.847   7.207  -0.896
  204   2HD   PRO  27          1HD       PRO  27  -1.736   8.321   0.161
  205    H    PHE  28           H        PHE  28  -4.608   4.504  -1.089
  206    HA   PHE  28           HA       PHE  28  -5.098   2.721  -2.377
  207   1HB   PHE  28          2HB       PHE  28  -5.867   4.818  -4.440
  208   2HB   PHE  28          1HB       PHE  28  -6.081   3.088  -4.682
  209    HD1  PHE  28           1HD      PHE  28  -8.133   2.213  -4.237
  210    HD2  PHE  28           2HD      PHE  28  -6.897   5.696  -2.125
  211    HE1  PHE  28           1HE      PHE  28 -10.336   2.332  -3.147
  212    HE2  PHE  28           2HE      PHE  28  -9.094   5.816  -1.029
  213    HZ   PHE  28           HZ       PHE  28 -10.818   4.134  -1.539
  214    H    VAL  29           H        VAL  29  -2.455   4.332  -2.530
  215    HA   VAL  29           HA       VAL  29  -1.172   2.477  -4.355
  216    HB   VAL  29           HB       VAL  29   0.222   4.255  -5.432
  217   1HG1  VAL  29          1HG1      VAL  29  -1.474   5.039  -7.048
  218   2HG1  VAL  29          2HG1      VAL  29  -2.741   4.439  -5.978
  219   3HG1  VAL  29          3HG1      VAL  29  -1.596   3.313  -6.707
  220   1HG2  VAL  29          1HG2      VAL  29  -0.582   6.580  -5.416
  221   2HG2  VAL  29          2HG2      VAL  29  -0.096   6.035  -3.811
  222   3HG2  VAL  29          3HG2      VAL  29  -1.807   6.142  -4.225
  223    H    CYS  30           H        CYS  30   1.203   2.563  -4.005
  224    HA   CYS  30           HA       CYS  30   1.722   3.074  -1.192
  225   1HB   CYS  30          2HB       CYS  30   2.361   0.931  -2.481
  226   2HB   CYS  30          1HB       CYS  30   3.640   1.901  -3.192
  227    H    VAL  31           H        VAL  31   3.553   4.319  -0.482
  228    HA   VAL  31           HA       VAL  31   4.737   6.074  -2.507
  229    HB   VAL  31           HB       VAL  31   4.495   8.035  -0.984
  230   1HG1  VAL  31          1HG1      VAL  31   2.938   8.331  -2.584
  231   2HG1  VAL  31          2HG1      VAL  31   1.813   8.009  -1.264
  232   3HG1  VAL  31          3HG1      VAL  31   2.262   6.716  -2.374
  233   1HG2  VAL  31          1HG2      VAL  31   2.233   6.965   0.500
  234   2HG2  VAL  31          2HG2      VAL  31   3.602   7.925   1.059
  235   3HG2  VAL  31          3HG2      VAL  31   3.756   6.175   0.908
  Start of MODEL   18
    1   1H    ALA   1          1HT       ALA   1   6.139 -11.440   0.731
    2   2H    ALA   1          2HT       ALA   1   4.472 -11.666   0.886
    3   3H    ALA   1          3HT       ALA   1   5.206 -10.303   1.570
    4    HA   ALA   1           HA       ALA   1   5.855 -10.357  -1.148
    5   1HB   ALA   1          1HB       ALA   1   3.865 -10.554  -2.283
    6   2HB   ALA   1          2HB       ALA   1   2.891 -10.192  -0.858
    7   3HB   ALA   1          3HB       ALA   1   3.646 -11.777  -1.030
    8    H    CYS   2           H        CYS   2   6.021  -8.239  -1.757
    9    HA   CYS   2           HA       CYS   2   4.797  -6.250   0.050
   10   1HB   CYS   2          2HB       CYS   2   6.758  -4.897  -0.150
   11   2HB   CYS   2          1HB       CYS   2   7.247  -6.505   0.353
   12    H    SER   3           H        SER   3   3.780  -4.579  -0.821
   13    HA   SER   3           HA       SER   3   3.042  -4.713  -3.579
   14   1HB   SER   3          2HB       SER   3   1.451  -4.036  -1.812
   15   2HB   SER   3          1HB       SER   3   2.421  -2.599  -1.498
   16    HG   SER   3           HG       SER   3   1.909  -1.830  -3.530
   17    H    LYS   4           H        LYS   4   3.584  -3.374  -5.236
   18    HA   LYS   4           HA       LYS   4   6.102  -2.050  -5.145
   19   1HB   LYS   4          2HB       LYS   4   3.922  -2.029  -7.247
   20   2HB   LYS   4          1HB       LYS   4   5.487  -1.266  -7.456
   21   1HG   LYS   4          2HG       LYS   4   5.543  -3.343  -8.595
   22   2HG   LYS   4          1HG       LYS   4   6.535  -3.516  -7.149
   23   1HD   LYS   4          2HD       LYS   4   5.129  -5.026  -6.203
   24   2HD   LYS   4          1HD       LYS   4   3.688  -4.272  -6.888
   25   1HE   LYS   4          2HE       LYS   4   5.673  -5.889  -8.481
   26   2HE   LYS   4          1HE       LYS   4   4.194  -6.550  -7.783
   27   1HZ   LYS   4          1HZ       LYS   4   3.290  -5.972  -9.732
   28   2HZ   LYS   4          2HZ       LYS   4   4.540  -4.909 -10.131
   29   3HZ   LYS   4          3HZ       LYS   4   3.280  -4.390  -9.121
   30    H    LYS   5           H        LYS   5   6.495   0.232  -5.371
   31    HA   LYS   5           HA       LYS   5   4.977   1.821  -3.706
   32   1HB   LYS   5          2HB       LYS   5   7.198   2.528  -4.152
   33   2HB   LYS   5          1HB       LYS   5   6.898   2.611  -5.885
   34   1HG   LYS   5          2HG       LYS   5   5.724   4.592  -5.722
   35   2HG   LYS   5          1HG       LYS   5   5.304   4.319  -4.049
   36   1HD   LYS   5          2HD       LYS   5   7.582   4.789  -3.367
   37   2HD   LYS   5          1HD       LYS   5   8.059   4.982  -5.057
   38   1HE   LYS   5          2HE       LYS   5   7.027   7.005  -5.267
   39   2HE   LYS   5          1HE       LYS   5   5.789   6.622  -4.071
   40   1HZ   LYS   5          1HZ       LYS   5   8.630   7.246  -3.456
   41   2HZ   LYS   5          2HZ       LYS   5   7.421   6.910  -2.316
   42   3HZ   LYS   5          3HZ       LYS   5   7.331   8.311  -3.267
   43    H    TRP   6           H        TRP   6   5.082   2.314  -7.226
   44    HA   TRP   6           HA       TRP   6   2.654   3.834  -7.012
   45   1HB   TRP   6          2HB       TRP   6   4.005   2.990  -9.576
   46   2HB   TRP   6          1HB       TRP   6   2.975   4.392  -9.293
   47    HD1  TRP   6           HD       TRP   6   6.530   3.113  -8.572
   48    HE1  TRP   6           1HE      TRP   6   8.053   5.123  -8.092
   49    HE3  TRP   6           3HE      TRP   6   2.992   6.789  -8.406
   50    HZ2  TRP   6           2HZ      TRP   6   7.788   7.899  -7.673
   51    HZ3  TRP   6           3HZ      TRP   6   3.705   9.095  -7.950
   52    HH2  TRP   6           HH       TRP   6   6.056   9.637  -7.584
   53    H    GLU   7           H        GLU   7   2.641   0.981  -6.286
   54    HA   GLU   7           HA       GLU   7   0.963  -0.249  -8.333
   55   1HB   GLU   7          2HB       GLU   7   2.604  -1.512  -6.812
   56   2HB   GLU   7          1HB       GLU   7   1.428  -1.268  -5.530
   57   1HG   GLU   7          2HG       GLU   7   1.059  -3.428  -6.384
   58   2HG   GLU   7          1HG       GLU   7  -0.253  -2.420  -6.997
   59    H    TYR   8           H        TYR   8  -1.235  -0.337  -8.249
   60    HA   TYR   8           HA       TYR   8  -2.579   1.506  -6.511
   61   1HB   TYR   8          2HB       TYR   8  -3.146   0.841  -8.968
   62   2HB   TYR   8          1HB       TYR   8  -3.959  -0.542  -8.247
   63    HD1  TYR   8           1HD      TYR   8  -3.804   3.153  -7.659
   64    HD2  TYR   8           2HD      TYR   8  -6.237  -0.317  -8.024
   65    HE1  TYR   8           1HE      TYR   8  -5.810   4.531  -7.316
   66    HE2  TYR   8           2HE      TYR   8  -8.249   1.052  -7.680
   67    HH   TYR   8           HH       TYR   8  -8.018   4.559  -7.153
   68    H    CYS   9           H        CYS   9  -1.916   0.494  -4.493
   69    HA   CYS   9           HA       CYS   9  -2.819  -2.105  -3.785
   70   1HB   CYS   9          2HB       CYS   9  -2.178  -1.377  -1.441
   71   2HB   CYS   9          1HB       CYS   9  -0.899  -1.342  -2.647
   72    H    ILE  10           H        ILE  10  -5.076  -1.370  -4.670
   73    HA   ILE  10           HA       ILE  10  -6.749  -0.090  -2.667
   74    HB   ILE  10           HB       ILE  10  -7.142   0.295  -5.083
   75   1HG1  ILE  10          2HG1      ILE  10  -9.447  -1.114  -3.716
   76   2HG1  ILE  10          1HG1      ILE  10  -8.989   0.567  -3.471
   77   1HG2  ILE  10          1HG2      ILE  10  -7.861  -2.629  -5.139
   78   2HG2  ILE  10          2HG2      ILE  10  -6.538  -1.837  -5.997
   79   3HG2  ILE  10          3HG2      ILE  10  -8.210  -1.484  -6.435
   80   1HD1  ILE  10          1HD1      ILE  10  -9.451  -0.136  -6.267
   81   2HD1  ILE  10          2HD1      ILE  10 -10.035   1.236  -5.324
   82   3HD1  ILE  10          3HD1      ILE  10 -10.865  -0.316  -5.229
   83    H    VAL  11           H        VAL  11  -5.430  -2.273  -1.706
   84    HA   VAL  11           HA       VAL  11  -7.093  -4.617  -1.748
   85    HB   VAL  11           HB       VAL  11  -5.401  -5.225   0.198
   86   1HG1  VAL  11          1HG1      VAL  11  -4.862  -6.606  -1.468
   87   2HG1  VAL  11          2HG1      VAL  11  -3.734  -5.377  -2.040
   88   3HG1  VAL  11          3HG1      VAL  11  -5.376  -5.434  -2.680
   89   1HG2  VAL  11          1HG2      VAL  11  -3.836  -3.706   0.629
   90   2HG2  VAL  11          2HG2      VAL  11  -4.545  -2.620  -0.567
   91   3HG2  VAL  11          3HG2      VAL  11  -3.304  -3.778  -1.052
   92    HA   PRO  12           HA       PRO  12  -9.752  -3.486   1.597
   93   1HB   PRO  12          2HB       PRO  12 -10.575  -5.993   2.287
   94   2HB   PRO  12          1HB       PRO  12 -11.185  -5.126   0.873
   95   1HG   PRO  12          2HG       PRO  12  -9.076  -7.242   1.034
   96   2HG   PRO  12          1HG       PRO  12 -10.375  -7.045  -0.156
   97   1HD   PRO  12          2HD       PRO  12  -7.829  -6.304  -0.666
   98   2HD   PRO  12          1HD       PRO  12  -9.222  -5.429  -1.336
   99    H    ILE  13           H        ILE  13  -9.783  -3.484   3.842
  100    HA   ILE  13           HA       ILE  13  -7.390  -3.737   5.199
  101    HB   ILE  13           HB       ILE  13  -8.626  -3.509   7.291
  102   1HG1  ILE  13          2HG1      ILE  13 -10.569  -4.995   6.542
  103   2HG1  ILE  13          1HG1      ILE  13 -10.981  -3.566   7.479
  104   1HG2  ILE  13          1HG2      ILE  13  -9.758  -1.373   6.761
  105   2HG2  ILE  13          2HG2      ILE  13  -9.589  -1.751   5.046
  106   3HG2  ILE  13          3HG2      ILE  13  -8.153  -1.522   6.044
  107   1HD1  ILE  13          1HD1      ILE  13 -11.218  -3.853   4.491
  108   2HD1  ILE  13          2HD1      ILE  13 -11.629  -2.413   5.423
  109   3HD1  ILE  13          3HD1      ILE  13 -12.541  -3.905   5.656
  110    H    LEU  14           H        LEU  14  -9.692  -6.213   4.508
  111    HA   LEU  14           HA       LEU  14  -9.133  -8.030   6.571
  112   1HB   LEU  14          2HB       LEU  14 -10.035  -8.496   3.731
  113   2HB   LEU  14          1HB       LEU  14  -9.905  -9.777   4.917
  114    HG   LEU  14           HG       LEU  14 -12.177  -9.223   4.871
  115   1HD1  LEU  14          1HD1      LEU  14 -11.451  -9.463   7.123
  116   2HD1  LEU  14          2HD1      LEU  14 -12.613  -8.138   7.070
  117   3HD1  LEU  14          3HD1      LEU  14 -10.886  -7.794   7.181
  118   1HD2  LEU  14          1HD2      LEU  14 -12.975  -6.857   5.169
  119   2HD2  LEU  14          2HD2      LEU  14 -12.196  -7.209   3.626
  120   3HD2  LEU  14          3HD2      LEU  14 -11.312  -6.342   4.881
  121    H    GLY  15           H        GLY  15  -7.396  -7.230   3.659
  122   1HA   GLY  15          2HA       GLY  15  -5.078  -8.658   4.562
  123   2HA   GLY  15          1HA       GLY  15  -5.836  -9.417   3.167
  124    H    PHE  16           H        PHE  16  -4.998  -6.135   4.234
  125    HA   PHE  16           HA       PHE  16  -4.567  -5.241   1.564
  126   1HB   PHE  16          2HB       PHE  16  -3.676  -3.163   2.751
  127   2HB   PHE  16          1HB       PHE  16  -5.361  -3.586   3.009
  128    HD1  PHE  16           1HD      PHE  16  -6.013  -2.973   5.105
  129    HD2  PHE  16           2HD      PHE  16  -2.170  -4.728   4.608
  130    HE1  PHE  16           1HE      PHE  16  -5.670  -2.901   7.539
  131    HE2  PHE  16           2HE      PHE  16  -1.821  -4.664   7.042
  132    HZ   PHE  16           HZ       PHE  16  -3.573  -3.749   8.511
  133    H    VAL  17           H        VAL  17  -2.713  -7.257   3.258
  134    HA   VAL  17           HA       VAL  17  -0.519  -7.893   3.235
  135    HB   VAL  17           HB       VAL  17  -0.083  -6.356   0.705
  136   1HG1  VAL  17          1HG1      VAL  17   1.496  -8.089   2.005
  137   2HG1  VAL  17          2HG1      VAL  17   1.508  -7.908   0.251
  138   3HG1  VAL  17          3HG1      VAL  17   0.596  -9.222   0.995
  139   1HG2  VAL  17          1HG2      VAL  17  -1.364  -7.768  -0.620
  140   2HG2  VAL  17          2HG2      VAL  17  -2.410  -7.497   0.774
  141   3HG2  VAL  17          3HG2      VAL  17  -1.495  -8.998   0.638
  142    H    TYR  18           H        TYR  18   1.504  -6.205   1.808
  143    HA   TYR  18           HA       TYR  18   1.719  -3.769   3.290
  144   1HB   TYR  18          2HB       TYR  18   3.754  -4.402   4.564
  145   2HB   TYR  18          1HB       TYR  18   2.338  -5.307   5.081
  146    HD1  TYR  18           1HD      TYR  18   5.572  -5.514   3.342
  147    HD2  TYR  18           2HD      TYR  18   2.190  -7.696   4.725
  148    HE1  TYR  18           1HE      TYR  18   6.784  -7.620   2.967
  149    HE2  TYR  18           2HE      TYR  18   3.395  -9.807   4.356
  150    HH   TYR  18           HH       TYR  18   6.313 -10.272   4.217
  151    H    CYS  19           H        CYS  19   3.349  -2.426   2.495
  152    HA   CYS  19           HA       CYS  19   4.299  -3.058  -0.137
  153   1HB   CYS  19          2HB       CYS  19   4.591  -0.756   1.731
  154   2HB   CYS  19          1HB       CYS  19   5.539  -0.801   0.250
  155    H    CYS  20           H        CYS  20   6.661  -2.524  -0.664
  156    HA   CYS  20           HA       CYS  20   8.330  -4.362   0.722
  157   1HB   CYS  20          2HB       CYS  20   9.231  -2.192  -1.169
  158   2HB   CYS  20          1HB       CYS  20  10.045  -3.709  -0.817
  159    HA   PRO  21           HA       PRO  21   9.968  -2.007   4.029
  160   1HB   PRO  21          2HB       PRO  21  12.688  -2.643   3.010
  161   2HB   PRO  21          1HB       PRO  21  11.994  -2.852   4.623
  162   1HG   PRO  21          2HG       PRO  21  12.321  -4.949   2.998
  163   2HG   PRO  21          1HG       PRO  21  10.891  -4.814   4.039
  164   1HD   PRO  21          2HD       PRO  21  11.149  -4.332   1.102
  165   2HD   PRO  21          1HD       PRO  21   9.794  -5.024   2.011
  166    H    GLY  22           H        GLY  22   9.766   0.047   3.922
  167   1HA   GLY  22          2HA       GLY  22  11.019   2.156   3.718
  168   2HA   GLY  22          1HA       GLY  22  11.508   1.602   2.123
  169    H    LEU  23           H        LEU  23   8.731   0.513   1.651
  170    HA   LEU  23           HA       LEU  23   7.510   3.092   0.944
  171   1HB   LEU  23          2HB       LEU  23   6.992   0.363  -0.240
  172   2HB   LEU  23          1HB       LEU  23   6.402   1.899  -0.846
  173    HG   LEU  23           HG       LEU  23   9.316   1.114  -0.758
  174   1HD1  LEU  23          1HD1      LEU  23   7.357   0.114  -2.444
  175   2HD1  LEU  23          2HD1      LEU  23   9.100   0.084  -2.714
  176   3HD1  LEU  23          3HD1      LEU  23   8.126   1.397  -3.378
  177   1HD2  LEU  23          1HD2      LEU  23   9.723   3.245  -1.218
  178   2HD2  LEU  23          2HD2      LEU  23   7.998   3.608  -1.140
  179   3HD2  LEU  23          3HD2      LEU  23   8.729   3.117  -2.669
  180    H    ILE  24           H        ILE  24   5.267   3.391   1.254
  181    HA   ILE  24           HA       ILE  24   3.888   1.352   2.864
  182    HB   ILE  24           HB       ILE  24   2.920   3.190   4.295
  183   1HG1  ILE  24          2HG1      ILE  24   5.297   4.739   3.237
  184   2HG1  ILE  24          1HG1      ILE  24   3.613   5.083   2.860
  185   1HG2  ILE  24          1HG2      ILE  24   5.254   3.417   5.561
  186   2HG2  ILE  24          2HG2      ILE  24   5.678   2.130   4.433
  187   3HG2  ILE  24          3HG2      ILE  24   4.322   1.920   5.540
  188   1HD1  ILE  24          1HD1      ILE  24   3.829   6.563   4.530
  189   2HD1  ILE  24          2HD1      ILE  24   5.180   5.699   5.265
  190   3HD1  ILE  24          3HD1      ILE  24   3.525   5.156   5.549
  191    H    CYS  25           H        CYS  25   1.828   1.025   2.273
  192    HA   CYS  25           HA       CYS  25   0.772   2.345  -0.011
  193   1HB   CYS  25          2HB       CYS  25   0.192   0.024   0.463
  194   2HB   CYS  25          1HB       CYS  25  -0.586   0.501   1.966
  195    H    GLY  26           H        GLY  26  -0.646   4.009  -0.212
  196   1HA   GLY  26          2HA       GLY  26  -1.829   5.096   2.258
  197   2HA   GLY  26          1HA       GLY  26  -0.901   6.140   1.195
  198    HA   PRO  27           HA       PRO  27  -4.821   7.087  -0.659
  199   1HB   PRO  27          2HB       PRO  27  -3.919   8.518  -2.777
  200   2HB   PRO  27          1HB       PRO  27  -3.918   9.145  -1.125
  201   1HG   PRO  27          2HG       PRO  27  -1.669   7.951  -2.697
  202   2HG   PRO  27          1HG       PRO  27  -1.666   9.379  -1.647
  203   1HD   PRO  27          2HD       PRO  27  -0.733   6.959  -0.846
  204   2HD   PRO  27          1HD       PRO  27  -1.471   8.123   0.270
  205    H    PHE  28           H        PHE  28  -4.484   4.572  -1.101
  206    HA   PHE  28           HA       PHE  28  -5.001   2.836  -2.440
  207   1HB   PHE  28          2HB       PHE  28  -5.852   5.029  -4.363
  208   2HB   PHE  28          1HB       PHE  28  -6.053   3.313  -4.706
  209    HD1  PHE  28           1HD      PHE  28  -6.656   5.415  -1.666
  210    HD2  PHE  28           2HD      PHE  28  -8.238   2.713  -4.544
  211    HE1  PHE  28           1HE      PHE  28  -8.811   5.427  -0.483
  212    HE2  PHE  28           2HE      PHE  28 -10.398   2.718  -3.367
  213    HZ   PHE  28           HZ       PHE  28 -10.687   4.077  -1.333
  214    H    VAL  29           H        VAL  29  -2.378   4.411  -2.565
  215    HA   VAL  29           HA       VAL  29  -1.112   2.660  -4.488
  216    HB   VAL  29           HB       VAL  29   0.286   4.481  -5.488
  217   1HG1  VAL  29          1HG1      VAL  29  -2.417   3.832  -6.145
  218   2HG1  VAL  29          2HG1      VAL  29  -1.081   4.255  -7.215
  219   3HG1  VAL  29          3HG1      VAL  29  -2.113   5.521  -6.551
  220   1HG2  VAL  29          1HG2      VAL  29  -0.801   6.071  -3.518
  221   2HG2  VAL  29          2HG2      VAL  29  -1.629   6.622  -4.974
  222   3HG2  VAL  29          3HG2      VAL  29   0.134   6.633  -4.905
  223    H    CYS  30           H        CYS  30   1.209   2.582  -4.033
  224    HA   CYS  30           HA       CYS  30   1.711   3.137  -1.226
  225   1HB   CYS  30          2HB       CYS  30   2.222   0.923  -2.436
  226   2HB   CYS  30          1HB       CYS  30   3.579   1.775  -3.158
  227    H    VAL  31           H        VAL  31   3.659   4.246  -0.520
  228    HA   VAL  31           HA       VAL  31   4.896   5.946  -2.567
  229    HB   VAL  31           HB       VAL  31   4.765   7.918  -1.069
  230   1HG1  VAL  31          1HG1      VAL  31   2.846   8.600  -2.007
  231   2HG1  VAL  31          2HG1      VAL  31   1.914   7.286  -1.289
  232   3HG1  VAL  31          3HG1      VAL  31   2.840   7.007  -2.764
  233   1HG2  VAL  31          1HG2      VAL  31   4.515   6.756   1.062
  234   2HG2  VAL  31          2HG2      VAL  31   2.904   6.219   0.588
  235   3HG2  VAL  31          3HG2      VAL  31   3.226   7.936   0.829
  Start of MODEL   19
    1   1H    ALA   1          1HT       ALA   1   2.405 -11.512   0.922
    2   2H    ALA   1          2HT       ALA   1   1.490 -10.090   0.860
    3   3H    ALA   1          3HT       ALA   1   2.735 -10.240   1.995
    4    HA   ALA   1           HA       ALA   1   4.393 -10.179   0.333
    5   1HB   ALA   1          1HB       ALA   1   2.994  -9.625  -2.039
    6   2HB   ALA   1          2HB       ALA   1   2.222 -11.046  -1.334
    7   3HB   ALA   1          3HB       ALA   1   3.955 -11.056  -1.664
    8    H    CYS   2           H        CYS   2   5.104  -8.182  -0.724
    9    HA   CYS   2           HA       CYS   2   3.666  -5.898   0.368
   10   1HB   CYS   2          2HB       CYS   2   5.662  -4.635  -0.121
   11   2HB   CYS   2          1HB       CYS   2   6.082  -6.102   0.745
   12    H    SER   3           H        SER   3   4.877  -4.123  -1.778
   13    HA   SER   3           HA       SER   3   3.691  -4.864  -4.246
   14   1HB   SER   3          2HB       SER   3   1.657  -4.393  -2.812
   15   2HB   SER   3          1HB       SER   3   2.205  -2.720  -2.707
   16    HG   SER   3           HG       SER   3   1.283  -4.158  -4.948
   17    H    LYS   4           H        LYS   4   4.001  -3.294  -5.878
   18    HA   LYS   4           HA       LYS   4   6.322  -1.707  -5.607
   19   1HB   LYS   4          2HB       LYS   4   5.600  -2.699  -7.741
   20   2HB   LYS   4          1HB       LYS   4   4.173  -1.676  -7.741
   21   1HG   LYS   4          2HG       LYS   4   5.674   0.307  -7.850
   22   2HG   LYS   4          1HG       LYS   4   7.038  -0.799  -8.027
   23   1HD   LYS   4          2HD       LYS   4   6.404  -0.097 -10.219
   24   2HD   LYS   4          1HD       LYS   4   5.873  -1.769 -10.030
   25   1HE   LYS   4          2HE       LYS   4   3.714  -0.289  -9.135
   26   2HE   LYS   4          1HE       LYS   4   4.317   0.644 -10.504
   27   1HZ   LYS   4          1HZ       LYS   4   2.749  -0.888 -11.344
   28   2HZ   LYS   4          2HZ       LYS   4   3.411  -2.182 -10.478
   29   3HZ   LYS   4          3HZ       LYS   4   4.263  -1.506 -11.781
   30    H    LYS   5           H        LYS   5   6.547   0.549  -5.503
   31    HA   LYS   5           HA       LYS   5   4.844   1.914  -3.842
   32   1HB   LYS   5          2HB       LYS   5   7.028   2.777  -4.099
   33   2HB   LYS   5          1HB       LYS   5   6.852   2.919  -5.843
   34   1HG   LYS   5          2HG       LYS   5   5.582   4.846  -5.687
   35   2HG   LYS   5          1HG       LYS   5   5.087   4.506  -4.042
   36   1HD   LYS   5          2HD       LYS   5   7.287   5.041  -3.218
   37   2HD   LYS   5          1HD       LYS   5   7.888   5.237  -4.866
   38   1HE   LYS   5          2HE       LYS   5   6.796   7.235  -5.175
   39   2HE   LYS   5          1HE       LYS   5   5.552   6.866  -3.981
   40   1HZ   LYS   5          1HZ       LYS   5   7.074   8.580  -3.197
   41   2HZ   LYS   5          2HZ       LYS   5   8.385   7.528  -3.366
   42   3HZ   LYS   5          3HZ       LYS   5   7.177   7.196  -2.222
   43    H    TRP   6           H        TRP   6   5.100   2.667  -7.295
   44    HA   TRP   6           HA       TRP   6   2.557   3.998  -7.160
   45   1HB   TRP   6          2HB       TRP   6   4.127   3.457  -9.679
   46   2HB   TRP   6          1HB       TRP   6   2.996   4.766  -9.354
   47    HD1  TRP   6           HD       TRP   6   6.585   3.657  -8.522
   48    HE1  TRP   6           1HE      TRP   6   7.946   5.726  -7.837
   49    HE3  TRP   6           3HE      TRP   6   2.809   7.092  -8.344
   50    HZ2  TRP   6           2HZ      TRP   6   7.479   8.450  -7.275
   51    HZ3  TRP   6           3HZ      TRP   6   3.347   9.406  -7.717
   52    HH2  TRP   6           HH       TRP   6   5.636  10.069  -7.186
   53    H    GLU   7           H        GLU   7   2.550   1.182  -6.558
   54    HA   GLU   7           HA       GLU   7   1.377  -0.098  -8.904
   55   1HB   GLU   7          2HB       GLU   7   2.699  -1.275  -7.006
   56   2HB   GLU   7          1HB       GLU   7   1.188  -1.201  -6.110
   57   1HG   GLU   7          2HG       GLU   7   1.343  -3.341  -7.152
   58   2HG   GLU   7          1HG       GLU   7   0.087  -2.417  -7.976
   59    H    TYR   8           H        TYR   8  -0.460  -1.193  -6.425
   60    HA   TYR   8           HA       TYR   8  -2.424   0.864  -6.184
   61   1HB   TYR   8          2HB       TYR   8  -2.608  -0.224  -8.600
   62   2HB   TYR   8          1HB       TYR   8  -3.417  -1.517  -7.727
   63    HD1  TYR   8           1HD      TYR   8  -3.579   2.185  -7.279
   64    HD2  TYR   8           2HD      TYR   8  -5.662  -1.384  -8.286
   65    HE1  TYR   8           1HE      TYR   8  -5.681   3.454  -7.398
   66    HE2  TYR   8           2HE      TYR   8  -7.771  -0.125  -8.404
   67    HH   TYR   8           HH       TYR   8  -7.882   3.347  -7.668
   68    H    CYS   9           H        CYS   9  -1.251  -0.299  -4.200
   69    HA   CYS   9           HA       CYS   9  -2.113  -2.793  -3.299
   70   1HB   CYS   9          2HB       CYS   9  -1.508  -1.810  -0.995
   71   2HB   CYS   9          1HB       CYS   9  -0.240  -1.907  -2.213
   72    H    ILE  10           H        ILE  10  -3.365   0.421  -2.419
   73    HA   ILE  10           HA       ILE  10  -5.391   1.138  -1.679
   74    HB   ILE  10           HB       ILE  10  -6.395  -1.591  -2.507
   75   1HG1  ILE  10          2HG1      ILE  10  -6.482   1.052  -3.981
   76   2HG1  ILE  10          1HG1      ILE  10  -5.413  -0.294  -4.368
   77   1HG2  ILE  10          1HG2      ILE  10  -8.586  -0.785  -2.300
   78   2HG2  ILE  10          2HG2      ILE  10  -8.051   0.891  -2.169
   79   3HG2  ILE  10          3HG2      ILE  10  -7.770  -0.231  -0.838
   80   1HD1  ILE  10          1HD1      ILE  10  -7.039  -0.734  -5.863
   81   2HD1  ILE  10          2HD1      ILE  10  -8.288   0.064  -4.909
   82   3HD1  ILE  10          3HD1      ILE  10  -7.758  -1.563  -4.484
   83    H    VAL  11           H        VAL  11  -5.600   1.446   0.446
   84    HA   VAL  11           HA       VAL  11  -5.230  -0.773   2.272
   85    HB   VAL  11           HB       VAL  11  -5.529   0.979   4.064
   86   1HG1  VAL  11          1HG1      VAL  11  -3.321   0.395   3.583
   87   2HG1  VAL  11          2HG1      VAL  11  -3.335   2.153   3.446
   88   3HG1  VAL  11          3HG1      VAL  11  -3.367   1.155   1.992
   89   1HG2  VAL  11          1HG2      VAL  11  -5.755   2.734   1.638
   90   2HG2  VAL  11          2HG2      VAL  11  -5.154   3.360   3.173
   91   3HG2  VAL  11          3HG2      VAL  11  -6.781   2.689   3.072
   92    HA   PRO  12           HA       PRO  12  -9.600  -1.561   2.443
   93   1HB   PRO  12          2HB       PRO  12  -9.522  -3.342   4.508
   94   2HB   PRO  12          1HB       PRO  12  -9.094  -3.759   2.846
   95   1HG   PRO  12          2HG       PRO  12  -7.317  -3.113   5.159
   96   2HG   PRO  12          1HG       PRO  12  -7.118  -4.346   3.900
   97   1HD   PRO  12          2HD       PRO  12  -5.790  -1.977   3.871
   98   2HD   PRO  12          1HD       PRO  12  -6.248  -2.844   2.392
   99    H    ILE  13           H        ILE  13 -11.241  -0.643   3.530
  100    HA   ILE  13           HA       ILE  13 -10.888   1.374   5.373
  101    HB   ILE  13           HB       ILE  13 -13.371  -0.318   5.037
  102   1HG1  ILE  13          2HG1      ILE  13 -12.610   0.586   2.898
  103   2HG1  ILE  13          1HG1      ILE  13 -14.074   1.411   3.422
  104   1HG2  ILE  13          1HG2      ILE  13 -14.157   2.262   5.586
  105   2HG2  ILE  13          2HG2      ILE  13 -12.778   2.023   6.659
  106   3HG2  ILE  13          3HG2      ILE  13 -14.149   0.915   6.725
  107   1HD1  ILE  13          1HD1      ILE  13 -11.793   2.617   2.534
  108   2HD1  ILE  13          2HD1      ILE  13 -11.626   2.736   4.286
  109   3HD1  ILE  13          3HD1      ILE  13 -13.057   3.392   3.491
  110    H    LEU  14           H        LEU  14 -11.516  -2.047   5.981
  111    HA   LEU  14           HA       LEU  14 -11.531  -1.558   8.856
  112   1HB   LEU  14          2HB       LEU  14 -12.161  -3.998   7.208
  113   2HB   LEU  14          1HB       LEU  14 -12.019  -4.055   8.952
  114    HG   LEU  14           HG       LEU  14 -14.325  -3.929   8.496
  115   1HD1  LEU  14          1HD1      LEU  14 -13.007  -1.616   9.656
  116   2HD1  LEU  14          2HD1      LEU  14 -14.393  -2.545  10.231
  117   3HD1  LEU  14          3HD1      LEU  14 -14.624  -1.255   9.050
  118   1HD2  LEU  14          1HD2      LEU  14 -15.334  -2.185   7.077
  119   2HD2  LEU  14          2HD2      LEU  14 -14.262  -3.260   6.179
  120   3HD2  LEU  14          3HD2      LEU  14 -13.718  -1.644   6.627
  121    H    GLY  15           H        GLY  15  -9.023  -1.215   7.383
  122   1HA   GLY  15          2HA       GLY  15  -7.253  -2.385   9.147
  123   2HA   GLY  15          1HA       GLY  15  -7.404  -3.535   7.828
  124    H    PHE  16           H        PHE  16  -5.393  -3.354   6.994
  125    HA   PHE  16           HA       PHE  16  -4.862  -1.308   5.161
  126   1HB   PHE  16          2HB       PHE  16  -2.830  -0.315   6.216
  127   2HB   PHE  16          1HB       PHE  16  -4.322   0.110   7.040
  128    HD1  PHE  16           1HD      PHE  16  -4.559  -0.257   9.321
  129    HD2  PHE  16           2HD      PHE  16  -1.403  -2.191   7.220
  130    HE1  PHE  16           1HE      PHE  16  -3.595  -0.999  11.459
  131    HE2  PHE  16           2HE      PHE  16  -0.439  -2.943   9.355
  132    HZ   PHE  16           HZ       PHE  16  -1.534  -2.346  11.478
  133    H    VAL  17           H        VAL  17  -3.090  -1.804   3.840
  134    HA   VAL  17           HA       VAL  17  -2.119  -4.545   4.161
  135    HB   VAL  17           HB       VAL  17  -1.416  -2.883   1.778
  136   1HG1  VAL  17          1HG1      VAL  17  -2.410  -5.491   1.186
  137   2HG1  VAL  17          2HG1      VAL  17  -1.243  -5.601   2.505
  138   3HG1  VAL  17          3HG1      VAL  17  -0.781  -4.849   0.978
  139   1HG2  VAL  17          1HG2      VAL  17  -4.044  -2.967   2.597
  140   2HG2  VAL  17          2HG2      VAL  17  -3.939  -4.285   1.429
  141   3HG2  VAL  17          3HG2      VAL  17  -3.478  -2.649   0.957
  142    H    TYR  18           H        TYR  18   0.282  -4.502   2.901
  143    HA   TYR  18           HA       TYR  18   1.885  -2.428   4.166
  144   1HB   TYR  18          2HB       TYR  18   3.444  -4.018   5.156
  145   2HB   TYR  18          1HB       TYR  18   1.829  -4.266   5.801
  146    HD1  TYR  18           1HD      TYR  18   0.641  -6.325   5.407
  147    HD2  TYR  18           2HD      TYR  18   4.455  -5.669   3.640
  148    HE1  TYR  18           1HE      TYR  18   0.796  -8.718   4.864
  149    HE2  TYR  18           2HE      TYR  18   4.617  -8.058   3.085
  150    HH   TYR  18           HH       TYR  18   2.916 -10.378   4.454
  151    H    CYS  19           H        CYS  19   3.632  -1.849   3.045
  152    HA   CYS  19           HA       CYS  19   3.966  -3.046   0.405
  153   1HB   CYS  19          2HB       CYS  19   4.644  -0.437   1.653
  154   2HB   CYS  19          1HB       CYS  19   5.548  -0.940   0.233
  155    H    CYS  20           H        CYS  20   6.434  -2.632  -0.321
  156    HA   CYS  20           HA       CYS  20   7.934  -4.553   1.164
  157   1HB   CYS  20          2HB       CYS  20   9.122  -2.726  -0.904
  158   2HB   CYS  20          1HB       CYS  20   9.533  -4.398  -0.550
  159    HA   PRO  21           HA       PRO  21   9.921  -2.038   4.162
  160   1HB   PRO  21          2HB       PRO  21  12.526  -3.020   3.112
  161   2HB   PRO  21          1HB       PRO  21  11.905  -2.969   4.768
  162   1HG   PRO  21          2HG       PRO  21  11.957  -5.267   3.404
  163   2HG   PRO  21          1HG       PRO  21  10.603  -4.874   4.481
  164   1HD   PRO  21          2HD       PRO  21  10.740  -4.796   1.499
  165   2HD   PRO  21          1HD       PRO  21   9.375  -5.211   2.553
  166    H    GLY  22           H        GLY  22   9.841   0.000   3.817
  167   1HA   GLY  22          2HA       GLY  22  11.337   1.937   3.360
  168   2HA   GLY  22          1HA       GLY  22  11.593   1.213   1.780
  169    H    LEU  23           H        LEU  23   8.706   0.426   1.590
  170    HA   LEU  23           HA       LEU  23   7.679   3.106   0.925
  171   1HB   LEU  23          2HB       LEU  23   6.957   0.440  -0.292
  172   2HB   LEU  23          1HB       LEU  23   6.380   2.009  -0.819
  173    HG   LEU  23           HG       LEU  23   9.272   1.154  -0.916
  174   1HD1  LEU  23          1HD1      LEU  23   7.941  -0.226  -2.408
  175   2HD1  LEU  23          2HD1      LEU  23   8.925   0.912  -3.328
  176   3HD1  LEU  23          3HD1      LEU  23   7.202   1.214  -3.106
  177   1HD2  LEU  23          1HD2      LEU  23   9.718   3.136  -2.023
  178   2HD2  LEU  23          2HD2      LEU  23   8.554   3.644  -0.800
  179   3HD2  LEU  23          3HD2      LEU  23   8.029   3.390  -2.464
  180    H    ILE  24           H        ILE  24   5.445   3.542   1.252
  181    HA   ILE  24           HA       ILE  24   4.050   1.661   3.046
  182    HB   ILE  24           HB       ILE  24   3.112   3.659   4.265
  183   1HG1  ILE  24          2HG1      ILE  24   5.450   5.078   2.965
  184   2HG1  ILE  24          1HG1      ILE  24   3.756   5.356   2.576
  185   1HG2  ILE  24          1HG2      ILE  24   5.760   2.469   4.489
  186   2HG2  ILE  24          2HG2      ILE  24   4.531   2.744   5.723
  187   3HG2  ILE  24          3HG2      ILE  24   5.635   4.043   5.276
  188   1HD1  ILE  24          1HD1      ILE  24   4.126   7.076   4.013
  189   2HD1  ILE  24          2HD1      ILE  24   5.322   6.182   4.953
  190   3HD1  ILE  24          3HD1      ILE  24   3.603   5.843   5.160
  191    H    CYS  25           H        CYS  25   1.954   1.312   2.564
  192    HA   CYS  25           HA       CYS  25   0.898   2.407   0.137
  193   1HB   CYS  25          2HB       CYS  25   0.516   0.051   0.857
  194   2HB   CYS  25          1HB       CYS  25  -0.482   0.649   2.177
  195    H    GLY  26           H        GLY  26  -0.583   3.996  -0.139
  196   1HA   GLY  26          2HA       GLY  26  -1.881   5.092   2.266
  197   2HA   GLY  26          1HA       GLY  26  -0.997   6.152   1.183
  198    HA   PRO  27           HA       PRO  27  -4.944   6.886  -0.718
  199   1HB   PRO  27          2HB       PRO  27  -3.417   8.083  -2.923
  200   2HB   PRO  27          1HB       PRO  27  -4.550   8.841  -1.802
  201   1HG   PRO  27          2HG       PRO  27  -1.909   9.314  -1.674
  202   2HG   PRO  27          1HG       PRO  27  -2.922   9.245  -0.219
  203   1HD   PRO  27          2HD       PRO  27  -1.098   7.154  -1.356
  204   2HD   PRO  27          1HD       PRO  27  -1.312   7.662   0.334
  205    H    PHE  28           H        PHE  28  -4.560   4.374  -1.084
  206    HA   PHE  28           HA       PHE  28  -5.023   2.592  -2.388
  207   1HB   PHE  28          2HB       PHE  28  -5.914   4.749  -4.326
  208   2HB   PHE  28          1HB       PHE  28  -6.004   3.036  -4.722
  209    HD1  PHE  28           1HD      PHE  28  -8.286   2.679  -4.861
  210    HD2  PHE  28           2HD      PHE  28  -6.693   4.639  -1.436
  211    HE1  PHE  28           1HE      PHE  28 -10.480   2.531  -3.759
  212    HE2  PHE  28           2HE      PHE  28  -8.885   4.494  -0.329
  213    HZ   PHE  28           HZ       PHE  28 -10.782   3.438  -1.490
  214    H    VAL  29           H        VAL  29  -2.421   4.256  -2.548
  215    HA   VAL  29           HA       VAL  29  -1.119   2.463  -4.423
  216    HB   VAL  29           HB       VAL  29   0.230   4.289  -5.479
  217   1HG1  VAL  29          1HG1      VAL  29  -2.620   4.902  -6.143
  218   2HG1  VAL  29          2HG1      VAL  29  -1.978   3.287  -6.438
  219   3HG1  VAL  29          3HG1      VAL  29  -1.234   4.686  -7.211
  220   1HG2  VAL  29          1HG2      VAL  29  -0.475   6.591  -5.360
  221   2HG2  VAL  29          2HG2      VAL  29  -0.196   5.990  -3.725
  222   3HG2  VAL  29          3HG2      VAL  29  -1.843   6.164  -4.331
  223    H    CYS  30           H        CYS  30   1.256   2.580  -4.066
  224    HA   CYS  30           HA       CYS  30   1.768   3.079  -1.251
  225   1HB   CYS  30          2HB       CYS  30   2.428   0.956  -2.629
  226   2HB   CYS  30          1HB       CYS  30   3.762   1.955  -3.190
  227    H    VAL  31           H        VAL  31   3.604   4.328  -0.541
  228    HA   VAL  31           HA       VAL  31   4.759   6.118  -2.552
  229    HB   VAL  31           HB       VAL  31   4.469   8.074  -1.035
  230   1HG1  VAL  31          1HG1      VAL  31   2.545   8.671  -2.037
  231   2HG1  VAL  31          2HG1      VAL  31   1.679   7.246  -1.463
  232   3HG1  VAL  31          3HG1      VAL  31   2.732   7.130  -2.874
  233   1HG2  VAL  31          1HG2      VAL  31   3.720   7.863   1.042
  234   2HG2  VAL  31          2HG2      VAL  31   3.626   6.119   0.803
  235   3HG2  VAL  31          3HG2      VAL  31   2.223   7.131   0.466
  Start of MODEL   20
    1   1H    ALA   1          1HT       ALA   1   4.070 -11.883   0.141
    2   2H    ALA   1          2HT       ALA   1   3.132 -10.561   0.618
    3   3H    ALA   1          3HT       ALA   1   4.734 -10.694   1.149
    4    HA   ALA   1           HA       ALA   1   5.581 -10.332  -1.020
    5   1HB   ALA   1          1HB       ALA   1   3.413 -11.546  -1.960
    6   2HB   ALA   1          2HB       ALA   1   4.371 -10.446  -2.950
    7   3HB   ALA   1          3HB       ALA   1   2.888  -9.878  -2.185
    8    H    CYS   2           H        CYS   2   6.142  -8.258  -1.485
    9    HA   CYS   2           HA       CYS   2   4.700  -6.167  -0.026
   10   1HB   CYS   2          2HB       CYS   2   6.690  -4.882  -0.182
   11   2HB   CYS   2          1HB       CYS   2   7.161  -6.511   0.277
   12    H    SER   3           H        SER   3   3.784  -4.448  -0.968
   13    HA   SER   3           HA       SER   3   3.105  -4.650  -3.756
   14   1HB   SER   3          2HB       SER   3   1.514  -3.982  -1.899
   15   2HB   SER   3          1HB       SER   3   2.372  -2.446  -1.818
   16    HG   SER   3           HG       SER   3   1.394  -3.359  -4.294
   17    H    LYS   4           H        LYS   4   3.605  -3.174  -5.387
   18    HA   LYS   4           HA       LYS   4   6.152  -1.856  -5.118
   19   1HB   LYS   4          2HB       LYS   4   4.399  -1.289  -7.467
   20   2HB   LYS   4          1HB       LYS   4   6.131  -1.555  -7.409
   21   1HG   LYS   4          2HG       LYS   4   4.031  -3.694  -7.145
   22   2HG   LYS   4          1HG       LYS   4   4.930  -3.319  -8.612
   23   1HD   LYS   4          2HD       LYS   4   6.471  -4.785  -7.958
   24   2HD   LYS   4          1HD       LYS   4   6.857  -3.708  -6.613
   25   1HE   LYS   4          2HE       LYS   4   6.272  -6.119  -6.032
   26   2HE   LYS   4          1HE       LYS   4   5.431  -4.853  -5.141
   27   1HZ   LYS   4          1HZ       LYS   4   4.151  -6.870  -6.209
   28   2HZ   LYS   4          2HZ       LYS   4   4.157  -5.872  -7.570
   29   3HZ   LYS   4          3HZ       LYS   4   3.452  -5.330  -6.134
   30    H    LYS   5           H        LYS   5   6.478   0.462  -5.498
   31    HA   LYS   5           HA       LYS   5   4.916   2.042  -3.874
   32   1HB   LYS   5          2HB       LYS   5   7.104   2.809  -4.421
   33   2HB   LYS   5          1HB       LYS   5   6.728   2.848  -6.140
   34   1HG   LYS   5          2HG       LYS   5   5.549   4.802  -5.977
   35   2HG   LYS   5          1HG       LYS   5   5.103   4.513  -4.313
   36   1HD   LYS   5          2HD       LYS   5   7.337   5.061  -3.577
   37   2HD   LYS   5          1HD       LYS   5   7.864   5.245  -5.253
   38   1HE   LYS   5          2HE       LYS   5   6.744   7.226  -5.534
   39   2HE   LYS   5          1HE       LYS   5   5.538   6.844  -4.305
   40   1HZ   LYS   5          1HZ       LYS   5   8.368   7.603  -3.802
   41   2HZ   LYS   5          2HZ       LYS   5   7.255   7.162  -2.600
   42   3HZ   LYS   5          3HZ       LYS   5   7.008   8.568  -3.518
   43    H    TRP   6           H        TRP   6   4.937   2.419  -7.404
   44    HA   TRP   6           HA       TRP   6   2.429   3.807  -7.211
   45   1HB   TRP   6          2HB       TRP   6   3.791   2.978  -9.770
   46   2HB   TRP   6          1HB       TRP   6   2.722   4.352  -9.490
   47    HD1  TRP   6           HD       TRP   6   6.328   3.199  -8.826
   48    HE1  TRP   6           1HE      TRP   6   7.792   5.261  -8.389
   49    HE3  TRP   6           3HE      TRP   6   2.673   6.755  -8.608
   50    HZ2  TRP   6           2HZ      TRP   6   7.444   8.028  -7.979
   51    HZ3  TRP   6           3HZ      TRP   6   3.317   9.086  -8.178
   52    HH2  TRP   6           HH       TRP   6   5.656   9.708  -7.864
   53    H    GLU   7           H        GLU   7   2.579   0.989  -6.404
   54    HA   GLU   7           HA       GLU   7   0.859  -0.297  -8.412
   55   1HB   GLU   7          2HB       GLU   7   2.688  -1.625  -7.421
   56   2HB   GLU   7          1HB       GLU   7   2.007  -1.373  -5.824
   57   1HG   GLU   7          2HG       GLU   7   0.126  -2.728  -6.321
   58   2HG   GLU   7          1HG       GLU   7   0.540  -2.782  -8.035
   59    H    TYR   8           H        TYR   8  -1.298  -0.500  -8.126
   60    HA   TYR   8           HA       TYR   8  -2.548   1.141  -6.184
   61   1HB   TYR   8          2HB       TYR   8  -3.621  -0.767  -8.251
   62   2HB   TYR   8          1HB       TYR   8  -4.683   0.071  -7.126
   63    HD1  TYR   8           1HD      TYR   8  -1.740   1.083  -9.220
   64    HD2  TYR   8           2HD      TYR   8  -5.775   1.835  -8.104
   65    HE1  TYR   8           1HE      TYR   8  -1.777   3.041 -10.704
   66    HE2  TYR   8           2HE      TYR   8  -5.824   3.797  -9.585
   67    HH   TYR   8           HH       TYR   8  -3.458   5.395 -10.601
   68    H    CYS   9           H        CYS   9  -1.922   0.342  -4.181
   69    HA   CYS   9           HA       CYS   9  -2.606  -2.334  -3.371
   70   1HB   CYS   9          2HB       CYS   9  -1.918  -1.465  -1.082
   71   2HB   CYS   9          1HB       CYS   9  -0.674  -1.428  -2.326
   72    H    ILE  10           H        ILE  10  -4.871  -1.790  -4.211
   73    HA   ILE  10           HA       ILE  10  -6.608  -0.192  -2.630
   74    HB   ILE  10           HB       ILE  10  -8.386  -1.702  -3.873
   75   1HG1  ILE  10          2HG1      ILE  10  -7.390  -2.354  -6.134
   76   2HG1  ILE  10          1HG1      ILE  10  -5.812  -2.231  -5.367
   77   1HG2  ILE  10          1HG2      ILE  10  -7.250   0.750  -4.291
   78   2HG2  ILE  10          2HG2      ILE  10  -8.637   0.099  -5.165
   79   3HG2  ILE  10          3HG2      ILE  10  -7.017  -0.050  -5.846
   80   1HD1  ILE  10          1HD1      ILE  10  -7.732  -3.921  -3.941
   81   2HD1  ILE  10          2HD1      ILE  10  -6.035  -4.200  -4.331
   82   3HD1  ILE  10          3HD1      ILE  10  -7.279  -4.496  -5.546
   83    H    VAL  11           H        VAL  11  -5.440  -1.550  -0.712
   84    HA   VAL  11           HA       VAL  11  -6.790  -3.968   0.009
   85    HB   VAL  11           HB       VAL  11  -5.641  -3.647   2.220
   86   1HG1  VAL  11          1HG1      VAL  11  -4.558  -4.245  -0.337
   87   2HG1  VAL  11          2HG1      VAL  11  -4.068  -4.866   1.240
   88   3HG1  VAL  11          3HG1      VAL  11  -3.326  -3.399   0.601
   89   1HG2  VAL  11          1HG2      VAL  11  -5.467  -1.271   2.368
   90   2HG2  VAL  11          2HG2      VAL  11  -4.602  -1.177   0.835
   91   3HG2  VAL  11          3HG2      VAL  11  -3.826  -1.904   2.241
   92    HA   PRO  12           HA       PRO  12 -10.292  -1.971   1.861
   93   1HB   PRO  12          2HB       PRO  12 -11.594  -4.180   2.639
   94   2HB   PRO  12          1HB       PRO  12 -11.432  -3.754   0.931
   95   1HG   PRO  12          2HG       PRO  12  -9.922  -5.770   2.535
   96   2HG   PRO  12          1HG       PRO  12 -10.507  -5.874   0.865
   97   1HD   PRO  12          2HD       PRO  12  -7.908  -5.261   1.603
   98   2HD   PRO  12          1HD       PRO  12  -8.640  -4.866   0.036
   99    H    ILE  13           H        ILE  13 -11.213  -1.609   3.902
  100    HA   ILE  13           HA       ILE  13 -10.944  -0.973   6.054
  101    HB   ILE  13           HB       ILE  13 -10.982  -2.885   7.706
  102   1HG1  ILE  13          2HG1      ILE  13  -9.937  -4.481   5.856
  103   2HG1  ILE  13          1HG1      ILE  13 -11.040  -5.094   7.081
  104   1HG2  ILE  13          1HG2      ILE  13 -13.040  -2.598   5.541
  105   2HG2  ILE  13          2HG2      ILE  13 -12.986  -1.804   7.115
  106   3HG2  ILE  13          3HG2      ILE  13 -13.306  -3.535   7.011
  107   1HD1  ILE  13          1HD1      ILE  13 -12.691  -5.497   5.580
  108   2HD1  ILE  13          2HD1      ILE  13 -11.301  -5.664   4.509
  109   3HD1  ILE  13          3HD1      ILE  13 -12.221  -4.160   4.530
  110    H    LEU  14           H        LEU  14  -9.290  -3.367   7.602
  111    HA   LEU  14           HA       LEU  14  -7.087  -1.623   8.136
  112   1HB   LEU  14          2HB       LEU  14  -7.596  -4.476   8.973
  113   2HB   LEU  14          1HB       LEU  14  -6.292  -3.475   9.581
  114    HG   LEU  14           HG       LEU  14  -9.240  -2.935   9.956
  115   1HD1  LEU  14          1HD1      LEU  14  -7.878  -4.841  11.223
  116   2HD1  LEU  14          2HD1      LEU  14  -9.114  -3.865  12.018
  117   3HD1  LEU  14          3HD1      LEU  14  -7.408  -3.463  12.219
  118   1HD2  LEU  14          1HD2      LEU  14  -8.474  -1.171  11.493
  119   2HD2  LEU  14          2HD2      LEU  14  -7.981  -0.866   9.828
  120   3HD2  LEU  14          3HD2      LEU  14  -6.811  -1.479  10.997
  121    H    GLY  15           H        GLY  15  -7.364  -2.596   5.384
  122   1HA   GLY  15          2HA       GLY  15  -5.839  -3.018   3.713
  123   2HA   GLY  15          1HA       GLY  15  -4.595  -3.200   4.939
  124    H    PHE  16           H        PHE  16  -3.698  -4.966   3.953
  125    HA   PHE  16           HA       PHE  16  -4.527  -7.498   4.765
  126   1HB   PHE  16          2HB       PHE  16  -6.300  -7.187   3.031
  127   2HB   PHE  16          1HB       PHE  16  -5.041  -6.972   1.821
  128    HD1  PHE  16           1HD      PHE  16  -5.476  -9.436   4.590
  129    HD2  PHE  16           2HD      PHE  16  -5.035  -8.778   0.409
  130    HE1  PHE  16           1HE      PHE  16  -5.418 -11.867   4.217
  131    HE2  PHE  16           2HE      PHE  16  -4.977 -11.208   0.028
  132    HZ   PHE  16           HZ       PHE  16  -5.169 -12.756   1.934
  133    H    VAL  17           H        VAL  17  -3.048  -5.843   2.008
  134    HA   VAL  17           HA       VAL  17  -0.752  -7.643   2.108
  135    HB   VAL  17           HB       VAL  17  -0.954  -5.382   0.155
  136   1HG1  VAL  17          1HG1      VAL  17   0.657  -7.710   0.499
  137   2HG1  VAL  17          2HG1      VAL  17   0.811  -6.420  -0.693
  138   3HG1  VAL  17          3HG1      VAL  17  -0.199  -7.824  -1.039
  139   1HG2  VAL  17          1HG2      VAL  17  -3.150  -6.886   0.422
  140   2HG2  VAL  17          2HG2      VAL  17  -2.220  -7.933  -0.650
  141   3HG2  VAL  17          3HG2      VAL  17  -2.591  -6.278  -1.137
  142    H    TYR  18           H        TYR  18   1.285  -6.045   1.314
  143    HA   TYR  18           HA       TYR  18   1.468  -3.683   2.952
  144   1HB   TYR  18          2HB       TYR  18   3.406  -4.543   4.273
  145   2HB   TYR  18          1HB       TYR  18   1.895  -5.362   4.654
  146    HD1  TYR  18           1HD      TYR  18   1.624  -7.705   4.252
  147    HD2  TYR  18           2HD      TYR  18   5.150  -5.716   2.940
  148    HE1  TYR  18           1HE      TYR  18   2.683  -9.880   3.817
  149    HE2  TYR  18           2HE      TYR  18   6.216  -7.887   2.500
  150    HH   TYR  18           HH       TYR  18   5.554 -10.542   3.669
  151    H    CYS  19           H        CYS  19   3.211  -2.370   2.362
  152    HA   CYS  19           HA       CYS  19   4.290  -2.869  -0.251
  153   1HB   CYS  19          2HB       CYS  19   4.623  -0.713   1.784
  154   2HB   CYS  19          1HB       CYS  19   5.541  -0.689   0.283
  155    H    CYS  20           H        CYS  20   6.669  -2.452  -0.644
  156    HA   CYS  20           HA       CYS  20   8.211  -4.393   0.759
  157   1HB   CYS  20          2HB       CYS  20   9.278  -2.237  -1.056
  158   2HB   CYS  20          1HB       CYS  20   9.989  -3.809  -0.725
  159    HA   PRO  21           HA       PRO  21   9.853  -2.138   4.141
  160   1HB   PRO  21          2HB       PRO  21  12.575  -2.851   3.184
  161   2HB   PRO  21          1HB       PRO  21  11.831  -3.062   4.773
  162   1HG   PRO  21          2HG       PRO  21  12.136  -5.143   3.122
  163   2HG   PRO  21          1HG       PRO  21  10.687  -4.981   4.134
  164   1HD   PRO  21          2HD       PRO  21  11.024  -4.468   1.210
  165   2HD   PRO  21          1HD       PRO  21   9.629  -5.125   2.084
  166    H    GLY  22           H        GLY  22   9.733  -0.075   4.060
  167   1HA   GLY  22          2HA       GLY  22  11.054   1.994   3.901
  168   2HA   GLY  22          1HA       GLY  22  11.566   1.437   2.314
  169    H    LEU  23           H        LEU  23   8.796   0.442   1.725
  170    HA   LEU  23           HA       LEU  23   7.683   3.048   0.972
  171   1HB   LEU  23          2HB       LEU  23   7.166   0.280  -0.127
  172   2HB   LEU  23          1HB       LEU  23   6.392   1.743  -0.697
  173    HG   LEU  23           HG       LEU  23   8.762   2.563  -1.266
  174   1HD1  LEU  23          1HD1      LEU  23  10.473   0.973  -1.567
  175   2HD1  LEU  23          2HD1      LEU  23   9.380  -0.378  -1.261
  176   3HD1  LEU  23          3HD1      LEU  23   9.848   0.695   0.059
  177   1HD2  LEU  23          1HD2      LEU  23   7.761   2.192  -3.220
  178   2HD2  LEU  23          2HD2      LEU  23   6.975   0.725  -2.638
  179   3HD2  LEU  23          3HD2      LEU  23   8.633   0.659  -3.236
  180    H    ILE  24           H        ILE  24   5.432   3.454   1.246
  181    HA   ILE  24           HA       ILE  24   4.013   1.560   2.993
  182    HB   ILE  24           HB       ILE  24   3.084   3.515   4.280
  183   1HG1  ILE  24          2HG1      ILE  24   5.457   4.951   3.064
  184   2HG1  ILE  24          1HG1      ILE  24   3.768   5.283   2.694
  185   1HG2  ILE  24          1HG2      ILE  24   5.695   2.260   4.507
  186   2HG2  ILE  24          2HG2      ILE  24   4.460   2.538   5.735
  187   3HG2  ILE  24          3HG2      ILE  24   5.611   3.814   5.336
  188   1HD1  ILE  24          1HD1      ILE  24   3.414   6.379   4.651
  189   2HD1  ILE  24          2HD1      ILE  24   5.132   6.718   4.435
  190   3HD1  ILE  24          3HD1      ILE  24   4.617   5.435   5.530
  191    H    CYS  25           H        CYS  25   1.961   1.211   2.444
  192    HA   CYS  25           HA       CYS  25   0.885   2.370   0.077
  193   1HB   CYS  25          2HB       CYS  25   0.333   0.080   0.722
  194   2HB   CYS  25          1HB       CYS  25  -0.437   0.657   2.195
  195    H    GLY  26           H        GLY  26  -0.601   3.982  -0.205
  196   1HA   GLY  26          2HA       GLY  26  -1.720   5.236   2.215
  197   2HA   GLY  26          1HA       GLY  26  -0.846   6.213   1.047
  198    HA   PRO  27           HA       PRO  27  -4.876   6.958  -0.680
  199   1HB   PRO  27          2HB       PRO  27  -4.090   8.347  -2.873
  200   2HB   PRO  27          1HB       PRO  27  -4.078   9.034  -1.244
  201   1HG   PRO  27          2HG       PRO  27  -1.815   7.882  -2.829
  202   2HG   PRO  27          1HG       PRO  27  -1.850   9.347  -1.831
  203   1HD   PRO  27          2HD       PRO  27  -0.790   7.006  -0.964
  204   2HD   PRO  27          1HD       PRO  27  -1.565   8.171   0.128
  205    H    PHE  28           H        PHE  28  -4.474   4.447  -1.049
  206    HA   PHE  28           HA       PHE  28  -4.958   2.650  -2.320
  207   1HB   PHE  28          2HB       PHE  28  -5.924   4.747  -4.295
  208   2HB   PHE  28          1HB       PHE  28  -6.078   3.014  -4.573
  209    HD1  PHE  28           1HD      PHE  28  -6.656   5.146  -1.547
  210    HD2  PHE  28           2HD      PHE  28  -8.267   2.412  -4.382
  211    HE1  PHE  28           1HE      PHE  28  -8.786   5.131  -0.317
  212    HE2  PHE  28           2HE      PHE  28 -10.399   2.393  -3.156
  213    HZ   PHE  28           HZ       PHE  28 -10.661   3.754  -1.120
  214    H    VAL  29           H        VAL  29  -2.391   4.272  -2.528
  215    HA   VAL  29           HA       VAL  29  -1.102   2.531  -4.436
  216    HB   VAL  29           HB       VAL  29   0.214   4.377  -5.501
  217   1HG1  VAL  29          1HG1      VAL  29  -1.321   3.630  -7.011
  218   2HG1  VAL  29          2HG1      VAL  29  -1.849   5.306  -6.857
  219   3HG1  VAL  29          3HG1      VAL  29  -2.700   4.029  -5.986
  220   1HG2  VAL  29          1HG2      VAL  29  -0.121   6.132  -3.877
  221   2HG2  VAL  29          2HG2      VAL  29  -1.855   6.154  -4.200
  222   3HG2  VAL  29          3HG2      VAL  29  -0.719   6.671  -5.447
  223    H    CYS  30           H        CYS  30   1.222   2.533  -4.039
  224    HA   CYS  30           HA       CYS  30   1.776   3.137  -1.253
  225   1HB   CYS  30          2HB       CYS  30   2.361   0.941  -2.501
  226   2HB   CYS  30          1HB       CYS  30   3.683   1.863  -3.202
  227    H    VAL  31           H        VAL  31   3.793   4.252  -0.642
  228    HA   VAL  31           HA       VAL  31   4.861   6.009  -2.731
  229    HB   VAL  31           HB       VAL  31   4.808   7.952  -1.154
  230   1HG1  VAL  31          1HG1      VAL  31   1.967   7.523  -1.307
  231   2HG1  VAL  31          2HG1      VAL  31   2.765   6.970  -2.780
  232   3HG1  VAL  31          3HG1      VAL  31   2.988   8.629  -2.226
  233   1HG2  VAL  31          1HG2      VAL  31   2.985   7.766   0.654
  234   2HG2  VAL  31          2HG2      VAL  31   4.569   7.065   0.983
  235   3HG2  VAL  31          3HG2      VAL  31   3.226   6.025   0.508