*HEADER    DE NOVO PROTEIN                         11-JUN-02   1M02              
*TITLE     NMR STRUCTURE OF PW2 BOUND TO SDS MICELLES: A TRYPTOPHAN-             
*TITLE    2 RICH ANTICOCIDIAL PEPTIDE SELECTED FROM PHAGE DISPLAY                
*TITLE    3 LIBRARIES                                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HIS-PRO-LEU-LYS-GLN-TYR-TRP-TRP-ARG-PRO-SER-ILE;           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PW2;                                                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SOLID PHASE SYNTHESIS                                 
*KEYWDS    ANTICOCCIDIAL PEPTIDE, EIMERIA, SDS, MICELLE, ANTIMICROBIAL,          
*KEYWDS   2 PW2                                                                  
*EXPDTA    NMR, 19 STRUCTURES                                                    
*AUTHOR    L.W.TINOCO, A.DA SILVA JR., A.LEITE, A.P.VALENTE,                     
*AUTHOR   2 F.C.ALMEIDA                                                          
*REVDAT   1   14-AUG-02 1M02    0                                                


assign (resid 10 and name HD#) (resid 9 and name HB#) 5.00 3.20 0.00
assign (resid 4 and name HN) (resid 2 and name HA) 4.29 2.49 0.71
assign (resid 7 and name HN) (resid 7 and name HE3) 4.27 2.47 0.73
assign (resid 7 and name HN) (resid 5 and name HB#) 4.17 2.37 0.83
assign (resid 3 and name HD##) (resid 5 and name HN) 4.12 2.32 0.88
assign (resid 11 and name HN) (resid 10 and name HD2) 4.06 2.26 0.94
assign (resid 8 and name HN) (resid 10 and name HG#) 4.03 2.23 0.97
assign (resid 10 and name HD#) (resid 9 and name HG#) 4.02 2.22 0.98
assign (resid 6 and name HE#) (resid 3 and name HD##) 4.01 2.21 0.99
assign (resid 11 and name HB#) (resid 12 and name HN) 3.98 2.18 1.02
assign (resid 10 and name HB#) (resid 10 and name HA) 3.89 2.09 1.11
assign (resid 3 and name HD##) (resid 4 and name HN) 3.87 2.07 1.13
assign (resid 4 and name HG#) (resid 5 and name HN) 3.81 2.01 1.19
assign (resid 5 and name HB#) (resid 5 and name HE##) 3.80 2.00 1.20
assign (resid 2 and name HG#) (resid 2 and name HA) 3.80 2.00 1.20
assign (resid 7 and name HE3) (resid 2 and name HG#) 3.77 1.97 1.23
assign (resid 6 and name HD#) (resid 3 and name HD##) 3.77 1.97 1.23
assign (resid 6 and name HB#) (resid 7 and name HN) 3.75 1.95 1.25
assign (resid 10 and name HD#) (resid 9 and name HB#) 3.75 1.95 1.25
assign (resid 8 and name HZ2) (resid 8 and name HH2) 3.73 1.93 1.27
assign (resid 6 and name HD#) (resid 6 and name HN) 3.71 1.91 1.29
assign (resid 10 and name HG#) (resid 10 and name HA) 3.71 1.91 1.29
assign (resid 5 and name HA) (resid 5 and name HG#) 3.69 1.89 1.31
assign (resid 8 and name HA) (resid 8 and name HB#) 3.68 1.88 1.32
assign (resid 7 and name HN) (resid 6 and name HB#) 3.66 1.86 1.34
assign (resid 4 and name HN) (resid 3 and name HD##) 3.63 1.83 1.37
assign (resid 1 and name HT1) (resid 1 and name HB#) 3.62 1.82 1.38
assign (resid 1 and name HD#) (resid 1 and name HB#) 3.56 1.76 1.44
assign (resid 8 and name HN) (resid 7 and name HN) 3.56 1.76 1.44
assign (resid 5 and name HG#) (resid 5 and name HE##) 3.53 1.73 1.47
assign (resid 6 and name HB#) (resid 6 and name HN) 3.51 1.71 1.49
assign (resid 3 and name HN) (resid 2 and name HB#) 3.51 1.71 1.49
assign (resid 5 and name HG#) (resid 5 and name HA) 3.47 1.67 1.53
assign (resid 2 and name HG#) (resid 3 and name HN) 3.44 1.64 1.56
assign (resid 9 and name HD#) (resid 9 and name HB#) 3.44 1.64 1.56
assign (resid 8 and name HB#) (resid 8 and name HE3) 3.44 1.64 1.56
assign (resid 8 and name HE3) (resid 8 and name HA) 3.42 1.62 1.58
assign (resid 10 and name HG#) (resid 11 and name HN) 3.41 1.61 1.59
assign (resid 6 and name HB#) (resid 6 and name HA) 3.37 1.57 1.63
assign (resid 11 and name HN) (resid 10 and name HB#) 3.36 1.56 1.64
assign (resid 9 and name HE) (resid 9 and name HB#) 3.34 1.54 1.66
assign (resid 10 and name HA) (resid 10 and name HB#) 3.31 1.51 1.69
assign (resid 6 and name HN) (resid 6 and name HD#) 3.31 1.51 1.69
assign (resid 9 and name HE) (resid 9 and name HD#) 3.31 1.51 1.69
assign (resid 8 and name HN) (resid 8 and name HB#) 3.30 1.50 1.70
assign (resid 3 and name HN) (resid 4 and name HN) 3.30 1.50 1.70
assign (resid 7 and name HE3) (resid 2 and name HD#) 3.29 1.49 1.71
assign (resid 3 and name HN) (resid 3 and name HD##) 3.26 1.46 1.74
assign (resid 9 and name HD#) (resid 9 and name HB#) 3.26 1.46 1.74
assign (resid 5 and name HN) (resid 4 and name HG#) 3.25 1.45 1.75
assign (resid 11 and name HN) (resid 12 and name HN) 3.25 1.45 1.75
assign (resid 9 and name HD#) (resid 9 and name HA) 3.25 1.45 1.75
assign (resid 5 and name HA) (resid 5 and name HN) 3.24 1.44 1.76
assign (resid 7 and name HE3) (resid 11 and name HA) 3.24 1.44 1.76
assign (resid 2 and name HG#) (resid 2 and name HA) 3.23 1.43 1.77
assign (resid 6 and name HN) (resid 6 and name HB#) 3.22 1.42 1.78
assign (resid 6 and name HD#) (resid 5 and name HB#) 3.22 1.42 1.78
assign (resid 11 and name HN) (resid 10 and name HG#) 3.21 1.41 1.79
assign (resid 1 and name HA) (resid 1 and name HB#) 3.21 1.41 1.79
assign (resid 9 and name HG#) (resid 9 and name HH##) 3.20 1.40 1.80
assign (resid 9 and name HB#) (resid 9 and name HD#) 3.14 1.34 1.86
assign (resid 6 and name HN) (resid 7 and name HN) 3.14 1.34 1.86
assign (resid 12 and name HN) (resid 11 and name HB#) 3.12 1.32 1.88
assign (resid 4 and name HA) (resid 4 and name HG#) 3.11 1.31 1.89
assign (resid 5 and name HE##) (resid 5 and name HG#) 3.10 1.30 1.90
assign (resid 9 and name HA) (resid 10 and name HD#) 3.08 1.28 1.92
assign (resid 7 and name HD1) (resid 7 and name HA) 3.07 1.27 1.93
assign (resid 9 and name HN) (resid 9 and name HB#) 3.06 1.26 1.94
assign (resid 7 and name HE1) (resid 7 and name HZ2) 3.04 1.24 1.96
assign (resid 8 and name HE1) (resid 8 and name HZ2) 3.04 1.24 1.96
assign (resid 9 and name HB#) (resid 10 and name HD#) 3.04 1.24 1.96
assign (resid 5 and name HN) (resid 5 and name HG#) 3.03 1.23 1.97
assign (resid 6 and name HD#) (resid 3 and name HA) 3.02 1.22 1.98
assign (resid 7 and name HZ3) (resid 7 and name HE3) 3.02 1.22 1.98
assign (resid 11 and name HB#) (resid 11 and name HA) 2.99 1.19 2.01
assign (resid 8 and name HH2) (resid 8 and name HE3) 2.97 1.17 2.03
assign (resid 7 and name HN) (resid 7 and name HD1) 2.96 1.16 2.04
assign (resid 7 and name HN) (resid 8 and name HN) 2.92 1.12 2.08
assign (resid 9 and name HN) (resid 9 and name HA) 2.92 1.12 2.08
assign (resid 11 and name HB#) (resid 11 and name HN) 2.90 1.10 2.10
assign (resid 6 and name HD#) (resid 7 and name HN) 2.88 1.08 2.12
assign (resid 8 and name HN) (resid 7 and name HB#) 2.88 1.08 2.12
assign (resid 3 and name HG) (resid 3 and name HN) 2.87 1.07 2.13
assign (resid 8 and name HB#) (resid 8 and name HA) 2.87 1.07 2.13
assign (resid 8 and name HN) (resid 7 and name HA) 2.87 1.07 2.13
assign (resid 8 and name HN) (resid 8 and name HA) 2.87 1.07 2.13
assign (resid 4 and name HG#) (resid 4 and name HN) 2.86 1.06 2.14
assign (resid 8 and name HD1) (resid 8 and name HB#) 2.86 1.06 2.14
assign (resid 5 and name HN) (resid 5 and name HA) 2.84 1.04 2.16
assign (resid 7 and name HD1) (resid 7 and name HN) 2.83 1.03 2.17
assign (resid 6 and name HB#) (resid 6 and name HA) 2.81 1.01 2.19
assign (resid 7 and name HE3) (resid 7 and name HA) 2.81 1.01 2.19
assign (resid 10 and name HG#) (resid 10 and name HA) 2.81 1.01 2.19
assign (resid 9 and name HB#) (resid 9 and name HA) 2.78 0.98 0.62
assign (resid 8 and name HN) (resid 8 and name HB#) 2.77 0.97 0.63
assign (resid 8 and name HE3) (resid 8 and name HZ3) 2.76 0.96 0.64
assign (resid 7 and name HE1) (resid 7 and name HD1) 2.76 0.96 0.64
assign (resid 12 and name HN) (resid 12 and name HA) 2.76 0.96 0.64
assign (resid 3 and name HB#) (resid 3 and name HA) 2.75 0.95 0.65
assign (resid 7 and name HN) (resid 7 and name HA) 2.75 0.95 0.65
assign (resid 7 and name HB#) (resid 7 and name HE3) 2.75 0.95 0.65
assign (resid 3 and name HN) (resid 3 and name HA) 2.73 0.93 0.67
assign (resid 3 and name HB#) (resid 3 and name HN) 2.73 0.93 0.67
assign (resid 9 and name HD#) (resid 9 and name HE) 2.72 0.92 0.68
assign (resid 7 and name HH2) (resid 7 and name HZ2) 2.71 0.91 0.69
assign (resid 4 and name HE#) (resid 4 and name HG#) 2.71 0.91 0.69
assign (resid 4 and name HA) (resid 5 and name HN) 2.70 0.90 0.70
assign (resid 2 and name HG#) (resid 2 and name HB#) 2.69 0.89 0.71
assign (resid 4 and name HN) (resid 3 and name HN) 2.69 0.89 0.71
assign (resid 4 and name HN) (resid 4 and name HG#) 2.67 0.87 1.73
assign (resid 8 and name HD1) (resid 8 and name HE1) 2.67 0.87 0.73
assign (resid 6 and name HB#) (resid 6 and name HD#) 2.66 0.86 0.74
assign (resid 4 and name HN) (resid 2 and name HB#) 2.65 0.85 1.75
assign (resid 6 and name HD#) (resid 6 and name HA) 2.65 0.85 0.75
assign (resid 7 and name HZ2) (resid 7 and name HE1) 2.64 0.84 0.76
assign (resid 7 and name HD1) (resid 7 and name HB#) 2.64 0.84 0.76
assign (resid 3 and name HG) (resid 3 and name HA) 2.62 0.82 1.10
assign (resid 6 and name HN) (resid 5 and name HA) 2.62 0.82 0.78
assign (resid 11 and name HN) (resid 11 and name HA) 2.61 0.81 0.79
assign (resid 5 and name HA) (resid 5 and name HB#) 2.61 0.81 0.79
assign (resid 7 and name HN) (resid 6 and name HN) 2.61 0.81 0.79
assign (resid 5 and name HB#) (resid 5 and name HN) 2.61 0.81 0.79
assign (resid 7 and name HN) (resid 6 and name HA) 2.61 0.81 0.79
assign (resid 4 and name HB#) (resid 4 and name HA) 2.60 0.80 0.80
assign (resid 9 and name HN) (resid 8 and name HA) 2.59 0.79 0.81
assign (resid 12 and name HN) (resid 11 and name HA) 2.57 0.77 0.83
assign (resid 2 and name HB#) (resid 2 and name HA) 2.56 0.76 0.84
assign (resid 10 and name HB#) (resid 10 and name HD#) 2.56 0.76 0.84
assign (resid 9 and name HN) (resid 9 and name HG#) 2.56 0.76 0.84
assign (resid 9 and name HE) (resid 9 and name HG#) 2.56 0.76 0.84
assign (resid 10 and name HG#) (resid 10 and name HD#) 2.55 0.75 0.85
assign (resid 6 and name HD#) (resid 6 and name HB#) 2.55 0.75 0.85
assign (resid 9 and name HD#) (resid 9 and name HH##) 2.55 0.75 1.35
assign (resid 9 and name HG#) (resid 9 and name HA) 2.53 0.73 0.87
assign (resid 7 and name HE3) (resid 7 and name HZ3) 2.53 0.73 0.87
assign (resid 3 and name HD##) (resid 3 and name HA) 2.53 0.73 0.87
assign (resid 7 and name HD1) (resid 7 and name HE1) 2.51 0.71 0.89
assign (resid 3 and name HB#) (resid 3 and name HD##) 2.51 0.71 0.89
assign (resid 6 and name HN) (resid 6 and name HA) 2.49 0.69 0.91
assign (resid 9 and name HD#) (resid 9 and name HG#) 2.48 0.68 0.92
assign (resid 4 and name HD#) (resid 4 and name HE#) 2.47 0.67 0.93
assign (resid 4 and name HN) (resid 4 and name HA) 2.46 0.66 0.94
assign (resid 3 and name HN) (resid 2 and name HA) 2.42 0.62 0.98
assign (resid 5 and name HN) (resid 4 and name HA) 2.42 0.62 0.98
assign (resid 6 and name HD#) (resid 6 and name HE#) 2.38 0.58 1.02
assign (resid 7 and name HB#) (resid 7 and name HA) 2.37 0.57 1.03
assign (resid 4 and name HN) (resid 3 and name HA) 2.36 0.56 1.04
assign (resid 2 and name HB#) (resid 2 and name HA) 2.35 0.55 1.05
assign (resid 7 and name HZ2) (resid 7 and name HH2) 2.34 0.54 1.06
assign (resid 7 and name HN) (resid 7 and name HB#) 2.32 0.52 1.08
assign (resid 11 and name HN) (resid 10 and name HA) 2.24 0.44 1.16
assign (resid 5 and name HB#) (resid 5 and name HA) 2.17 0.37 1.23
assign (resid 5 and name HN) (resid 5 and name HB#) 2.16 0.36 1.24
assign (resid 4 and name HN) (resid 4 and name HB#) 1.96 0.16 1.44

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    HIS   1          1HT       HIS   1  -5.515   6.961   4.100
    2   2H    HIS   1          2HT       HIS   1  -6.301   7.688   2.758
    3   3H    HIS   1          3HT       HIS   1  -4.919   8.431   3.452
    4    HA   HIS   1           HA       HIS   1  -4.438   7.313   1.384
    5   1HB   HIS   1          2HB       HIS   1  -3.209   6.123   3.883
    6   2HB   HIS   1          1HB       HIS   1  -2.485   6.085   2.279
    7    HD1  HIS   1           1HD      HIS   1  -2.389   8.771   1.263
    8    HD2  HIS   1           2HD      HIS   1  -2.098   8.084   5.350
    9    HE1  HIS   1           1HE      HIS   1  -1.288  10.823   2.213
   10    HE2  HIS   1           2HE      HIS   1  -1.028  10.338   4.671
   11    HA   PRO   2           HA       PRO   2  -6.395   3.518   0.290
   12   1HB   PRO   2          2HB       PRO   2  -3.722   2.681  -0.727
   13   2HB   PRO   2          1HB       PRO   2  -5.285   2.701  -1.552
   14   1HG   PRO   2          2HG       PRO   2  -3.449   4.555  -2.079
   15   2HG   PRO   2          1HG       PRO   2  -5.171   4.976  -1.995
   16   1HD   PRO   2          2HD       PRO   2  -2.995   5.474  -0.012
   17   2HD   PRO   2          1HD       PRO   2  -4.394   6.483  -0.433
   18    H    LEU   3           H        LEU   3  -6.846   1.789   1.496
   19    HA   LEU   3           HA       LEU   3  -4.660   0.452   2.923
   20   1HB   LEU   3          2HB       LEU   3  -6.096   0.186   4.890
   21   2HB   LEU   3          1HB       LEU   3  -5.750   1.866   4.533
   22    HG   LEU   3           HG       LEU   3  -7.986   2.107   3.534
   23   1HD1  LEU   3          1HD1      LEU   3  -8.175  -0.793   4.215
   24   2HD1  LEU   3          2HD1      LEU   3  -8.655   0.048   2.740
   25   3HD1  LEU   3          3HD1      LEU   3  -9.622   0.214   4.205
   26   1HD2  LEU   3          1HD2      LEU   3  -9.159   2.266   5.565
   27   2HD2  LEU   3          2HD2      LEU   3  -7.461   2.495   5.984
   28   3HD2  LEU   3          3HD2      LEU   3  -8.244   0.944   6.290
   29    H    LYS   4           H        LYS   4  -6.591  -0.019   0.511
   30    HA   LYS   4           HA       LYS   4  -7.449  -2.712   1.336
   31   1HB   LYS   4          2HB       LYS   4  -9.314  -1.280   0.676
   32   2HB   LYS   4          1HB       LYS   4  -8.537  -0.952  -0.866
   33   1HG   LYS   4          2HG       LYS   4  -8.741  -3.309  -1.473
   34   2HG   LYS   4          1HG       LYS   4  -9.520  -3.639   0.075
   35   1HD   LYS   4          2HD       LYS   4 -11.340  -2.112  -0.517
   36   2HD   LYS   4          1HD       LYS   4 -10.560  -1.783  -2.065
   37   1HE   LYS   4          2HE       LYS   4 -10.780  -4.141  -2.676
   38   2HE   LYS   4          1HE       LYS   4 -11.558  -4.471  -1.128
   39   1HZ   LYS   4          1HZ       LYS   4 -13.481  -3.488  -1.780
   40   2HZ   LYS   4          2HZ       LYS   4 -12.938  -3.988  -3.301
   41   3HZ   LYS   4          3HZ       LYS   4 -12.721  -2.384  -2.812
   42    H    GLN   5           H        GLN   5  -5.346  -0.956  -0.692
   43    HA   GLN   5           HA       GLN   5  -5.055  -2.998  -2.697
   44   1HB   GLN   5          2HB       GLN   5  -4.696  -0.651  -3.277
   45   2HB   GLN   5          1HB       GLN   5  -3.382  -0.551  -2.113
   46   1HG   GLN   5          2HG       GLN   5  -2.105  -2.177  -3.411
   47   2HG   GLN   5          1HG       GLN   5  -3.422  -2.279  -4.577
   48   1HE2  GLN   5          1HE2      GLN   5  -0.494  -0.967  -4.064
   49   2HE2  GLN   5          2HE2      GLN   5  -0.605   0.435  -5.065
   50    H    TYR   6           H        TYR   6  -3.638  -2.247   0.353
   51    HA   TYR   6           HA       TYR   6  -2.030  -3.249   1.615
   52   1HB   TYR   6          2HB       TYR   6  -2.519  -5.558  -0.278
   53   2HB   TYR   6          1HB       TYR   6  -1.647  -5.663   1.244
   54    HD1  TYR   6           1HD      TYR   6  -3.586  -7.558   1.193
   55    HD2  TYR   6           2HD      TYR   6  -4.203  -3.400   1.860
   56    HE1  TYR   6           1HE      TYR   6  -5.688  -8.061   2.363
   57    HE2  TYR   6           2HE      TYR   6  -6.307  -3.894   3.028
   58    HH   TYR   6           HH       TYR   6  -7.245  -5.979   4.327
   59    H    TRP   7           H        TRP   7  -0.364  -1.842   1.003
   60    HA   TRP   7           HA       TRP   7   1.265  -2.419  -1.304
   61   1HB   TRP   7          2HB       TRP   7   2.630  -0.517  -0.534
   62   2HB   TRP   7          1HB       TRP   7   0.921  -0.102  -0.616
   63    HD1  TRP   7           HD       TRP   7   3.240  -1.505   2.181
   64    HE1  TRP   7           1HE      TRP   7   2.718  -0.219   4.348
   65    HE3  TRP   7           3HE      TRP   7  -0.423   1.596   0.420
   66    HZ2  TRP   7           2HZ      TRP   7   0.982   1.838   5.198
   67    HZ3  TRP   7           3HZ      TRP   7  -1.463   3.193   1.975
   68    HH2  TRP   7           HH       TRP   7  -0.775   3.311   4.315
   69    H    TRP   8           H        TRP   8   3.729  -2.445  -0.941
   70    HA   TRP   8           HA       TRP   8   4.421  -4.130   1.365
   71   1HB   TRP   8          2HB       TRP   8   4.067  -5.583  -0.585
   72   2HB   TRP   8          1HB       TRP   8   5.217  -4.635  -1.512
   73    HD1  TRP   8           HD       TRP   8   6.154  -7.335  -1.680
   74    HE1  TRP   8           1HE      TRP   8   8.033  -8.403  -0.293
   75    HE3  TRP   8           3HE      TRP   8   6.144  -4.155   2.352
   76    HZ2  TRP   8           2HZ      TRP   8   9.323  -7.985   2.169
   77    HZ3  TRP   8           3HZ      TRP   8   7.727  -4.579   4.175
   78    HH2  TRP   8           HH       TRP   8   9.282  -6.458   4.089
   79    H    ARG   9           H        ARG   9   6.696  -3.614  -1.198
   80    HA   ARG   9           HA       ARG   9   8.551  -2.354   0.502
   81   1HB   ARG   9          2HB       ARG   9   8.517  -2.504  -2.515
   82   2HB   ARG   9          1HB       ARG   9   9.896  -2.022  -1.540
   83   1HG   ARG   9          2HG       ARG   9   8.561  -4.721  -1.499
   84   2HG   ARG   9          1HG       ARG   9  10.095  -4.329  -2.278
   85   1HD   ARG   9          2HD       ARG   9  11.042  -3.727  -0.103
   86   2HD   ARG   9          1HD       ARG   9   9.509  -4.118   0.674
   87    HE   ARG   9           HE       ARG   9  10.362  -6.358  -0.766
   88   1HH1  ARG   9          1HH1      ARG   9  11.308  -4.488   2.024
   89   2HH1  ARG   9          2HH1      ARG   9  12.054  -5.830   2.826
   90   1HH2  ARG   9          1HH2      ARG   9  11.342  -8.124   0.287
   91   2HH2  ARG   9          2HH2      ARG   9  12.074  -7.894   1.840
   92    HA   PRO  10           HA       PRO  10   7.466   1.725  -1.833
   93   1HB   PRO  10          2HB       PRO  10   5.157   1.828  -3.235
   94   2HB   PRO  10          1HB       PRO  10   6.679   1.287  -3.952
   95   1HG   PRO  10          2HG       PRO  10   4.399  -0.340  -2.898
   96   2HG   PRO  10          1HG       PRO  10   5.340  -0.564  -4.384
   97   1HD   PRO  10          2HD       PRO  10   5.787  -2.004  -2.130
   98   2HD   PRO  10          1HD       PRO  10   7.075  -1.594  -3.281
   99    H    SER  11           H        SER  11   7.121   2.022   0.480
  100    HA   SER  11           HA       SER  11   4.293   2.554   1.123
  101   1HB   SER  11          2HB       SER  11   6.491   1.674   3.013
  102   2HB   SER  11          1HB       SER  11   4.843   2.086   3.487
  103    HG   SER  11           HG       SER  11   5.563  -0.252   2.961
  104    H    ILE  12           H        ILE  12   3.851   4.630   1.399
  105    HA   ILE  12           HA       ILE  12   6.053   6.466   2.066
  106    HB   ILE  12           HB       ILE  12   3.405   7.055   0.729
  107   1HG1  ILE  12          2HG1      ILE  12   4.964   5.852  -0.727
  108   2HG1  ILE  12          1HG1      ILE  12   4.784   7.521  -1.258
  109   1HG2  ILE  12          1HG2      ILE  12   5.689   8.845   1.520
  110   2HG2  ILE  12          2HG2      ILE  12   3.989   8.982   1.967
  111   3HG2  ILE  12          3HG2      ILE  12   4.494   9.300   0.308
  112   1HD1  ILE  12          1HD1      ILE  12   7.124   6.163  -0.028
  113   2HD1  ILE  12          2HD1      ILE  12   6.911   7.896   0.214
  114   3HD1  ILE  12          3HD1      ILE  12   7.045   7.245  -1.419
  Start of MODEL    2
    1   1H    HIS   1          1HT       HIS   1  -4.852   6.612  -3.132
    2   2H    HIS   1          2HT       HIS   1  -3.426   5.972  -3.838
    3   3H    HIS   1          3HT       HIS   1  -3.401   7.522  -3.106
    4    HA   HIS   1           HA       HIS   1  -2.443   5.563  -1.854
    5   1HB   HIS   1          2HB       HIS   1  -4.505   7.415  -0.633
    6   2HB   HIS   1          1HB       HIS   1  -3.252   6.563   0.262
    7    HD1  HIS   1           1HD      HIS   1  -0.712   7.157  -0.941
    8    HD2  HIS   1           2HD      HIS   1  -3.771   9.969  -1.049
    9    HE1  HIS   1           1HE      HIS   1   0.421   9.370  -1.325
   10    HE2  HIS   1           2HE      HIS   1  -1.456  11.042  -1.478
   11    HA   PRO   2           HA       PRO   2  -6.219   2.783  -1.930
   12   1HB   PRO   2          2HB       PRO   2  -4.949   0.588  -2.888
   13   2HB   PRO   2          1HB       PRO   2  -5.642   1.827  -3.941
   14   1HG   PRO   2          2HG       PRO   2  -2.798   1.449  -3.079
   15   2HG   PRO   2          1HG       PRO   2  -3.437   1.835  -4.688
   16   1HD   PRO   2          2HD       PRO   2  -2.387   3.719  -3.053
   17   2HD   PRO   2          1HD       PRO   2  -3.713   4.068  -4.181
   18    H    LEU   3           H        LEU   3  -6.273   2.708   0.316
   19    HA   LEU   3           HA       LEU   3  -4.234   1.434   1.849
   20   1HB   LEU   3          2HB       LEU   3  -5.760   1.724   3.743
   21   2HB   LEU   3          1HB       LEU   3  -5.539   3.202   2.829
   22    HG   LEU   3           HG       LEU   3  -7.720   2.850   1.747
   23   1HD1  LEU   3          1HD1      LEU   3  -8.286   0.652   1.689
   24   2HD1  LEU   3          2HD1      LEU   3  -9.180   1.128   3.131
   25   3HD1  LEU   3          3HD1      LEU   3  -7.620   0.321   3.289
   26   1HD2  LEU   3          1HD2      LEU   3  -9.087   3.087   3.923
   27   2HD2  LEU   3          2HD2      LEU   3  -7.854   4.293   3.554
   28   3HD2  LEU   3          3HD2      LEU   3  -7.518   3.018   4.726
   29    H    LYS   4           H        LYS   4  -6.734   0.220  -0.043
   30    HA   LYS   4           HA       LYS   4  -7.046  -2.206   1.550
   31   1HB   LYS   4          2HB       LYS   4  -9.077  -1.196   0.647
   32   2HB   LYS   4          1HB       LYS   4  -8.429  -1.315  -0.984
   33   1HG   LYS   4          2HG       LYS   4  -8.440  -3.752  -0.813
   34   2HG   LYS   4          1HG       LYS   4  -9.090  -3.632   0.823
   35   1HD   LYS   4          2HD       LYS   4 -11.081  -2.507  -0.053
   36   2HD   LYS   4          1HD       LYS   4 -10.429  -2.626  -1.688
   37   1HE   LYS   4          2HE       LYS   4 -10.455  -5.067  -1.520
   38   2HE   LYS   4          1HE       LYS   4 -11.106  -4.948   0.115
   39   1HZ   LYS   4          1HZ       LYS   4 -12.787  -5.383  -1.645
   40   2HZ   LYS   4          2HZ       LYS   4 -12.471  -3.847  -2.277
   41   3HZ   LYS   4          3HZ       LYS   4 -13.104  -4.003  -0.717
   42    H    GLN   5           H        GLN   5  -5.313  -1.025  -1.149
   43    HA   GLN   5           HA       GLN   5  -4.968  -3.440  -2.577
   44   1HB   GLN   5          2HB       GLN   5  -4.524  -1.262  -3.593
   45   2HB   GLN   5          1HB       GLN   5  -3.205  -0.989  -2.463
   46   1HG   GLN   5          2HG       GLN   5  -1.992  -2.881  -3.414
   47   2HG   GLN   5          1HG       GLN   5  -3.313  -3.157  -4.548
   48   1HE2  GLN   5          1HE2      GLN   5  -0.337  -1.882  -4.279
   49   2HE2  GLN   5          2HE2      GLN   5  -0.396  -0.695  -5.533
   50    H    TYR   6           H        TYR   6  -3.561  -2.211   0.310
   51    HA   TYR   6           HA       TYR   6  -2.015  -3.036   1.760
   52   1HB   TYR   6          2HB       TYR   6  -2.477  -5.598   0.219
   53   2HB   TYR   6          1HB       TYR   6  -1.648  -5.481   1.765
   54    HD1  TYR   6           1HD      TYR   6  -3.608  -7.347   1.942
   55    HD2  TYR   6           2HD      TYR   6  -4.192  -3.130   1.962
   56    HE1  TYR   6           1HE      TYR   6  -5.747  -7.653   3.113
   57    HE2  TYR   6           2HE      TYR   6  -6.333  -3.428   3.131
   58    HH   TYR   6           HH       TYR   6  -7.272  -6.407   4.519
   59    H    TRP   7           H        TRP   7  -0.531  -1.582   0.575
   60    HA   TRP   7           HA       TRP   7   1.178  -2.453  -1.466
   61   1HB   TRP   7          2HB       TRP   7   2.625  -0.569  -0.807
   62   2HB   TRP   7          1HB       TRP   7   0.932  -0.092  -0.895
   63    HD1  TRP   7           HD       TRP   7   3.225  -1.444   1.949
   64    HE1  TRP   7           1HE      TRP   7   2.777  -0.030   4.052
   65    HE3  TRP   7           3HE      TRP   7  -0.331   1.708   0.065
   66    HZ2  TRP   7           2HZ      TRP   7   1.132   2.135   4.812
   67    HZ3  TRP   7           3HZ      TRP   7  -1.292   3.422   1.546
   68    HH2  TRP   7           HH       TRP   7  -0.574   3.630   3.870
   69    H    TRP   8           H        TRP   8   3.690  -2.407  -1.016
   70    HA   TRP   8           HA       TRP   8   4.332  -4.041   1.330
   71   1HB   TRP   8          2HB       TRP   8   3.918  -5.591  -0.532
   72   2HB   TRP   8          1HB       TRP   8   5.089  -4.733  -1.517
   73    HD1  TRP   8           HD       TRP   8   5.946  -7.463  -1.539
   74    HE1  TRP   8           1HE      TRP   8   7.801  -8.508  -0.104
   75    HE3  TRP   8           3HE      TRP   8   6.049  -4.070   2.313
   76    HZ2  TRP   8           2HZ      TRP   8   9.115  -7.996   2.327
   77    HZ3  TRP   8           3HZ      TRP   8   7.628  -4.442   4.152
   78    HH2  TRP   8           HH       TRP   8   9.127  -6.367   4.162
   79    H    ARG   9           H        ARG   9   6.520  -3.642  -1.349
   80    HA   ARG   9           HA       ARG   9   8.550  -2.515   0.189
   81   1HB   ARG   9          2HB       ARG   9   8.166  -2.367  -2.806
   82   2HB   ARG   9          1HB       ARG   9   9.663  -2.013  -1.956
   83   1HG   ARG   9          2HG       ARG   9   8.257  -4.675  -2.020
   84   2HG   ARG   9          1HG       ARG   9   9.703  -4.237  -2.932
   85   1HD   ARG   9          2HD       ARG   9  10.912  -3.875  -0.834
   86   2HD   ARG   9          1HD       ARG   9   9.466  -4.312   0.075
   87    HE   ARG   9           HE       ARG   9  10.080  -6.412  -1.667
   88   1HH1  ARG   9          1HH1      ARG   9  11.390  -4.852   1.166
   89   2HH1  ARG   9          2HH1      ARG   9  12.183  -6.281   1.739
   90   1HH2  ARG   9          1HH2      ARG   9  11.121  -8.293  -0.916
   91   2HH2  ARG   9          2HH2      ARG   9  12.031  -8.235   0.557
   92    HA   PRO  10           HA       PRO  10   7.291   1.790  -1.512
   93   1HB   PRO  10          2HB       PRO  10   4.951   2.104  -2.785
   94   2HB   PRO  10          1HB       PRO  10   6.396   1.535  -3.630
   95   1HG   PRO  10          2HG       PRO  10   4.073  -0.033  -2.582
   96   2HG   PRO  10          1HG       PRO  10   4.929  -0.198  -4.126
   97   1HD   PRO  10          2HD       PRO  10   5.379  -1.802  -1.953
   98   2HD   PRO  10          1HD       PRO  10   6.591  -1.471  -3.204
   99    H    SER  11           H        SER  11   7.038   1.567   0.907
  100    HA   SER  11           HA       SER  11   4.318   1.697   1.908
  101   1HB   SER  11          2HB       SER  11   6.970   1.934   3.353
  102   2HB   SER  11          1HB       SER  11   5.390   1.844   4.131
  103    HG   SER  11           HG       SER  11   6.830  -0.168   3.648
  104    H    ILE  12           H        ILE  12   3.216   3.531   1.906
  105    HA   ILE  12           HA       ILE  12   4.664   6.049   2.392
  106    HB   ILE  12           HB       ILE  12   2.380   5.642   0.455
  107   1HG1  ILE  12          2HG1      ILE  12   4.522   4.835  -0.411
  108   2HG1  ILE  12          1HG1      ILE  12   4.027   6.301  -1.254
  109   1HG2  ILE  12          1HG2      ILE  12   3.532   8.176   0.109
  110   2HG2  ILE  12          2HG2      ILE  12   3.279   7.989   1.844
  111   3HG2  ILE  12          3HG2      ILE  12   1.925   7.799   0.729
  112   1HD1  ILE  12          1HD1      ILE  12   5.570   7.608   0.102
  113   2HD1  ILE  12          2HD1      ILE  12   6.404   6.316  -0.762
  114   3HD1  ILE  12          3HD1      ILE  12   6.059   6.145   0.959
  Start of MODEL    3
    1   1H    HIS   1          1HT       HIS   1  -5.776   5.704   4.955
    2   2H    HIS   1          2HT       HIS   1  -4.119   5.910   4.558
    3   3H    HIS   1          3HT       HIS   1  -4.651   6.132   6.175
    4    HA   HIS   1           HA       HIS   1  -3.515   4.045   5.845
    5   1HB   HIS   1          2HB       HIS   1  -6.475   3.889   6.465
    6   2HB   HIS   1          1HB       HIS   1  -5.274   2.692   6.939
    7    HD1  HIS   1           1HD      HIS   1  -3.154   4.036   8.337
    8    HD2  HIS   1           2HD      HIS   1  -7.035   5.508   8.540
    9    HE1  HIS   1           1HE      HIS   1  -3.226   5.459  10.408
   10    HE2  HIS   1           2HE      HIS   1  -5.561   6.402  10.468
   11    HA   PRO   2           HA       PRO   2  -5.045   2.741   1.645
   12   1HB   PRO   2          2HB       PRO   2  -2.584   2.199   0.633
   13   2HB   PRO   2          1HB       PRO   2  -3.309   3.810   0.585
   14   1HG   PRO   2          2HG       PRO   2  -1.287   2.698   2.493
   15   2HG   PRO   2          1HG       PRO   2  -1.329   4.287   1.708
   16   1HD   PRO   2          2HD       PRO   2  -2.120   3.908   4.268
   17   2HD   PRO   2          1HD       PRO   2  -2.858   5.132   3.213
   18    H    LEU   3           H        LEU   3  -5.779   1.002   3.240
   19    HA   LEU   3           HA       LEU   3  -4.014  -1.335   3.156
   20   1HB   LEU   3          2HB       LEU   3  -5.433  -2.270   4.921
   21   2HB   LEU   3          1HB       LEU   3  -4.717  -0.737   5.376
   22    HG   LEU   3           HG       LEU   3  -6.857   0.388   4.919
   23   1HD1  LEU   3          1HD1      LEU   3  -8.004  -0.822   3.330
   24   2HD1  LEU   3          2HD1      LEU   3  -8.867  -1.252   4.807
   25   3HD1  LEU   3          3HD1      LEU   3  -7.684  -2.365   4.121
   26   1HD2  LEU   3          1HD2      LEU   3  -6.616  -0.094   7.161
   27   2HD2  LEU   3          2HD2      LEU   3  -6.687  -1.836   6.902
   28   3HD2  LEU   3          3HD2      LEU   3  -8.154  -0.867   6.783
   29    H    LYS   4           H        LYS   4  -6.098  -0.143   1.125
   30    HA   LYS   4           HA       LYS   4  -7.763  -2.507   0.753
   31   1HB   LYS   4          2HB       LYS   4  -8.842  -0.323   0.563
   32   2HB   LYS   4          1HB       LYS   4  -7.723   0.135  -0.714
   33   1HG   LYS   4          2HG       LYS   4  -8.630  -1.627  -2.143
   34   2HG   LYS   4          1HG       LYS   4  -9.752  -2.088  -0.861
   35   1HD   LYS   4          2HD       LYS   4 -10.767   0.138  -0.954
   36   2HD   LYS   4          1HD       LYS   4  -9.644   0.599  -2.235
   37   1HE   LYS   4          2HE       LYS   4 -10.564  -1.158  -3.669
   38   2HE   LYS   4          1HE       LYS   4 -11.685  -1.617  -2.388
   39   1HZ   LYS   4          1HZ       LYS   4 -11.773   0.644  -4.206
   40   2HZ   LYS   4          2HZ       LYS   4 -12.229   0.973  -2.611
   41   3HZ   LYS   4          3HZ       LYS   4 -13.039  -0.223  -3.491
   42    H    GLN   5           H        GLN   5  -4.861  -1.138  -0.416
   43    HA   GLN   5           HA       GLN   5  -4.916  -2.858  -2.799
   44   1HB   GLN   5          2HB       GLN   5  -4.494  -0.496  -3.261
   45   2HB   GLN   5          1HB       GLN   5  -3.137  -0.503  -2.144
   46   1HG   GLN   5          2HG       GLN   5  -1.963  -2.096  -3.574
   47   2HG   GLN   5          1HG       GLN   5  -3.324  -2.092  -4.695
   48   1HE2  GLN   5          1HE2      GLN   5  -0.336  -0.903  -4.220
   49   2HE2  GLN   5          2HE2      GLN   5  -0.435   0.554  -5.141
   50    H    TYR   6           H        TYR   6  -3.635  -2.644   0.322
   51    HA   TYR   6           HA       TYR   6  -2.133  -3.898   1.476
   52   1HB   TYR   6          2HB       TYR   6  -2.150  -5.619  -1.013
   53   2HB   TYR   6          1HB       TYR   6  -1.451  -6.078   0.533
   54    HD1  TYR   6           1HD      TYR   6  -3.159  -8.020  -0.288
   55    HD2  TYR   6           2HD      TYR   6  -4.288  -4.263   1.366
   56    HE1  TYR   6           1HE      TYR   6  -5.315  -8.976   0.402
   57    HE2  TYR   6           2HE      TYR   6  -6.446  -5.211   2.057
   58    HH   TYR   6           HH       TYR   6  -7.110  -8.160   2.484
   59    H    TRP   7           H        TRP   7  -0.587  -2.250   1.497
   60    HA   TRP   7           HA       TRP   7   1.263  -1.777  -0.583
   61   1HB   TRP   7          2HB       TRP   7   2.527  -0.505   1.109
   62   2HB   TRP   7          1HB       TRP   7   0.812  -0.110   1.146
   63    HD1  TRP   7           HD       TRP   7   3.039  -2.713   3.001
   64    HE1  TRP   7           1HE      TRP   7   2.371  -2.682   5.486
   65    HE3  TRP   7           3HE      TRP   7  -0.637   0.836   2.811
   66    HZ2  TRP   7           2HZ      TRP   7   0.529  -1.333   7.146
   67    HZ3  TRP   7           3HZ      TRP   7  -1.803   1.439   4.892
   68    HH2  TRP   7           HH       TRP   7  -1.231   0.375   7.014
   69    H    TRP   8           H        TRP   8   3.758  -1.843   0.257
   70    HA   TRP   8           HA       TRP   8   4.626  -4.115   1.659
   71   1HB   TRP   8          2HB       TRP   8   3.625  -5.330  -0.231
   72   2HB   TRP   8          1HB       TRP   8   4.615  -4.413  -1.352
   73    HD1  TRP   8           HD       TRP   8   5.159  -7.158  -1.946
   74    HE1  TRP   8           1HE      TRP   8   7.176  -8.538  -1.159
   75    HE3  TRP   8           3HE      TRP   8   6.506  -4.410   2.176
   76    HZ2  TRP   8           2HZ      TRP   8   9.065  -8.495   0.921
   77    HZ3  TRP   8           3HZ      TRP   8   8.423  -5.168   3.507
   78    HH2  TRP   8           HH       TRP   8   9.672  -7.171   2.897
   79    H    ARG   9           H        ARG   9   6.147  -3.455  -1.402
   80    HA   ARG   9           HA       ARG   9   8.509  -2.505  -0.119
   81   1HB   ARG   9          2HB       ARG   9   7.787  -2.578  -3.053
   82   2HB   ARG   9          1HB       ARG   9   9.385  -2.234  -2.412
   83   1HG   ARG   9          2HG       ARG   9   7.870  -4.815  -2.082
   84   2HG   ARG   9          1HG       ARG   9   9.216  -4.531  -3.189
   85   1HD   ARG   9          2HD       ARG   9  10.678  -4.057  -1.284
   86   2HD   ARG   9          1HD       ARG   9   9.334  -4.344  -0.181
   87    HE   ARG   9           HE       ARG   9   9.652  -6.610  -1.790
   88   1HH1  ARG   9          1HH1      ARG   9  11.354  -4.887   0.724
   89   2HH1  ARG   9          2HH1      ARG   9  12.152  -6.301   1.326
   90   1HH2  ARG   9          1HH2      ARG   9  10.700  -8.471  -0.998
   91   2HH2  ARG   9          2HH2      ARG   9  11.782  -8.335   0.348
   92    HA   PRO  10           HA       PRO  10   7.289   1.713  -2.066
   93   1HB   PRO  10          2HB       PRO  10   4.803   2.067  -3.027
   94   2HB   PRO  10          1HB       PRO  10   6.096   1.371  -4.012
   95   1HG   PRO  10          2HG       PRO  10   3.881  -0.007  -2.544
   96   2HG   PRO  10          1HG       PRO  10   4.506  -0.319  -4.173
   97   1HD   PRO  10          2HD       PRO  10   5.191  -1.802  -1.987
   98   2HD   PRO  10          1HD       PRO  10   6.251  -1.584  -3.394
   99    H    SER  11           H        SER  11   5.247  -0.116  -0.018
  100    HA   SER  11           HA       SER  11   4.133   0.365   1.905
  101   1HB   SER  11          2HB       SER  11   5.689   2.958   1.743
  102   2HB   SER  11          1HB       SER  11   4.815   2.381   3.162
  103    HG   SER  11           HG       SER  11   7.290   1.782   2.387
  104    H    ILE  12           H        ILE  12   2.966   1.035  -0.677
  105    HA   ILE  12           HA       ILE  12   1.010   3.021   0.259
  106    HB   ILE  12           HB       ILE  12   2.133   2.859  -2.543
  107   1HG1  ILE  12          2HG1      ILE  12   3.645   3.969  -0.971
  108   2HG1  ILE  12          1HG1      ILE  12   2.952   5.137  -2.091
  109   1HG2  ILE  12          1HG2      ILE  12  -0.283   4.130  -1.425
  110   2HG2  ILE  12          2HG2      ILE  12   0.047   3.558  -3.060
  111   3HG2  ILE  12          3HG2      ILE  12   0.675   5.117  -2.528
  112   1HD1  ILE  12          1HD1      ILE  12   1.195   5.197   0.012
  113   2HD1  ILE  12          2HD1      ILE  12   2.502   6.345  -0.281
  114   3HD1  ILE  12          3HD1      ILE  12   2.755   4.976   0.802
  Start of MODEL    4
    1   1H    HIS   1          1HT       HIS   1  -7.064   6.776   3.280
    2   2H    HIS   1          2HT       HIS   1  -5.863   6.758   2.055
    3   3H    HIS   1          3HT       HIS   1  -5.586   7.612   3.518
    4    HA   HIS   1           HA       HIS   1  -4.403   5.529   3.418
    5   1HB   HIS   1          2HB       HIS   1  -6.632   5.717   5.459
    6   2HB   HIS   1          1HB       HIS   1  -5.163   4.765   5.646
    7    HD1  HIS   1           1HD      HIS   1  -2.903   6.483   5.201
    8    HD2  HIS   1           2HD      HIS   1  -6.408   8.034   6.809
    9    HE1  HIS   1           1HE      HIS   1  -2.226   8.604   6.370
   10    HE2  HIS   1           2HE      HIS   1  -4.348   9.479   7.408
   11    HA   PRO   2           HA       PRO   2  -7.478   2.716   1.359
   12   1HB   PRO   2          2HB       PRO   2  -5.769   1.769  -0.518
   13   2HB   PRO   2          1HB       PRO   2  -6.685   3.265  -0.731
   14   1HG   PRO   2          2HG       PRO   2  -3.837   2.892   0.116
   15   2HG   PRO   2          1HG       PRO   2  -4.521   4.065  -1.024
   16   1HD   PRO   2          2HD       PRO   2  -3.896   4.703   1.536
   17   2HD   PRO   2          1HD       PRO   2  -5.231   5.472   0.655
   18    H    LEU   3           H        LEU   3  -7.741   0.988   2.631
   19    HA   LEU   3           HA       LEU   3  -5.415  -0.536   3.502
   20   1HB   LEU   3          2HB       LEU   3  -6.960  -1.641   5.050
   21   2HB   LEU   3          1HB       LEU   3  -6.958   0.101   5.232
   22    HG   LEU   3           HG       LEU   3  -9.071   0.225   3.975
   23   1HD1  LEU   3          1HD1      LEU   3  -9.177  -1.581   2.546
   24   2HD1  LEU   3          2HD1      LEU   3 -10.308  -2.046   3.816
   25   3HD1  LEU   3          3HD1      LEU   3  -8.683  -2.729   3.790
   26   1HD2  LEU   3          1HD2      LEU   3  -9.030  -1.578   6.384
   27   2HD2  LEU   3          2HD2      LEU   3 -10.493  -0.856   5.715
   28   3HD2  LEU   3          3HD2      LEU   3  -9.214   0.176   6.356
   29    H    LYS   4           H        LYS   4  -6.932  -0.595   0.767
   30    HA   LYS   4           HA       LYS   4  -7.274  -3.515   0.666
   31   1HB   LYS   4          2HB       LYS   4  -9.298  -2.282   0.076
   32   2HB   LYS   4          1HB       LYS   4  -8.413  -1.387  -1.151
   33   1HG   LYS   4          2HG       LYS   4  -8.028  -3.456  -2.389
   34   2HG   LYS   4          1HG       LYS   4  -8.916  -4.356  -1.157
   35   1HD   LYS   4          2HD       LYS   4 -10.926  -3.049  -1.654
   36   2HD   LYS   4          1HD       LYS   4 -10.037  -2.149  -2.884
   37   1HE   LYS   4          2HE       LYS   4  -9.665  -4.222  -4.128
   38   2HE   LYS   4          1HE       LYS   4 -10.552  -5.121  -2.898
   39   1HZ   LYS   4          1HZ       LYS   4 -12.228  -4.770  -4.351
   40   2HZ   LYS   4          2HZ       LYS   4 -11.551  -3.360  -4.994
   41   3HZ   LYS   4          3HZ       LYS   4 -12.363  -3.307  -3.512
   42    H    GLN   5           H        GLN   5  -5.364  -0.900  -0.409
   43    HA   GLN   5           HA       GLN   5  -4.422  -1.996  -2.846
   44   1HB   GLN   5          2HB       GLN   5  -4.214   0.386  -2.341
   45   2HB   GLN   5          1HB       GLN   5  -3.141   0.021  -0.997
   46   1HG   GLN   5          2HG       GLN   5  -1.494  -0.887  -2.554
   47   2HG   GLN   5          1HG       GLN   5  -2.571  -0.523  -3.903
   48   1HE2  GLN   5          1HE2      GLN   5   0.070   0.521  -2.324
   49   2HE2  GLN   5          2HE2      GLN   5  -0.010   2.212  -2.673
   50    H    TYR   6           H        TYR   6  -3.589  -2.477   0.473
   51    HA   TYR   6           HA       TYR   6  -2.104  -3.842   1.529
   52   1HB   TYR   6          2HB       TYR   6  -2.181  -5.311  -1.115
   53   2HB   TYR   6          1HB       TYR   6  -1.528  -5.957   0.383
   54    HD1  TYR   6           1HD      TYR   6  -3.326  -7.712  -0.640
   55    HD2  TYR   6           2HD      TYR   6  -4.275  -4.081   1.369
   56    HE1  TYR   6           1HE      TYR   6  -5.539  -8.612  -0.064
   57    HE2  TYR   6           2HE      TYR   6  -6.489  -4.972   1.945
   58    HH   TYR   6           HH       TYR   6  -7.918  -7.429   0.501
   59    H    TRP   7           H        TRP   7  -0.762  -1.755   1.128
   60    HA   TRP   7           HA       TRP   7   1.315  -1.731  -0.758
   61   1HB   TRP   7          2HB       TRP   7   2.364  -0.037   0.694
   62   2HB   TRP   7          1HB       TRP   7   0.649   0.278   0.457
   63    HD1  TRP   7           HD       TRP   7   2.701  -1.704   3.111
   64    HE1  TRP   7           1HE      TRP   7   1.764  -1.100   5.431
   65    HE3  TRP   7           3HE      TRP   7  -0.980   1.542   1.681
   66    HZ2  TRP   7           2HZ      TRP   7  -0.266   0.538   6.511
   67    HZ3  TRP   7           3HZ      TRP   7  -2.375   2.585   3.419
   68    HH2  TRP   7           HH       TRP   7  -2.024   2.092   5.784
   69    H    TRP   8           H        TRP   8   3.583  -2.079  -0.459
   70    HA   TRP   8           HA       TRP   8   4.436  -3.704   1.789
   71   1HB   TRP   8          2HB       TRP   8   3.526  -5.349   0.205
   72   2HB   TRP   8          1HB       TRP   8   4.565  -4.717  -1.059
   73    HD1  TRP   8           HD       TRP   8   5.132  -7.519  -0.949
   74    HE1  TRP   8           1HE      TRP   8   7.118  -8.646   0.228
   75    HE3  TRP   8           3HE      TRP   8   6.303  -3.845   2.441
   76    HZ2  TRP   8           2HZ      TRP   8   8.917  -8.082   2.311
   77    HZ3  TRP   8           3HZ      TRP   8   8.161  -4.238   3.991
   78    HH2  TRP   8           HH       TRP   8   9.439  -6.315   3.932
   79    H    ARG   9           H        ARG   9   6.136  -3.826  -1.241
   80    HA   ARG   9           HA       ARG   9   8.506  -2.795  -0.211
   81   1HB   ARG   9          2HB       ARG   9   7.607  -2.882  -3.096
   82   2HB   ARG   9          1HB       ARG   9   9.258  -2.627  -2.554
   83   1HG   ARG   9          2HG       ARG   9   7.608  -5.100  -2.084
   84   2HG   ARG   9          1HG       ARG   9   8.902  -4.922  -3.270
   85   1HD   ARG   9          2HD       ARG   9  10.498  -4.512  -1.461
   86   2HD   ARG   9          1HD       ARG   9   9.204  -4.690  -0.277
   87    HE   ARG   9           HE       ARG   9   9.281  -6.999  -1.854
   88   1HH1  ARG   9          1HH1      ARG   9  11.231  -5.352   0.526
   89   2HH1  ARG   9          2HH1      ARG   9  11.966  -6.805   1.112
   90   1HH2  ARG   9          1HH2      ARG   9  10.248  -8.913  -1.085
   91   2HH2  ARG   9          2HH2      ARG   9  11.410  -8.827   0.198
   92    HA   PRO  10           HA       PRO  10   7.373   1.459  -2.056
   93   1HB   PRO  10          2HB       PRO  10   4.963   1.908  -3.120
   94   2HB   PRO  10          1HB       PRO  10   6.224   1.073  -4.037
   95   1HG   PRO  10          2HG       PRO  10   3.857  -0.055  -2.605
   96   2HG   PRO  10          1HG       PRO  10   4.545  -0.517  -4.170
   97   1HD   PRO  10          2HD       PRO  10   5.005  -1.835  -1.777
   98   2HD   PRO  10          1HD       PRO  10   6.043  -1.937  -3.209
   99    H    SER  11           H        SER  11   5.294   3.182  -1.737
  100    HA   SER  11           HA       SER  11   3.777   2.692   0.632
  101   1HB   SER  11          2HB       SER  11   6.134   4.584   0.835
  102   2HB   SER  11          1HB       SER  11   4.876   4.389   2.055
  103    HG   SER  11           HG       SER  11   5.891   2.702   2.758
  104    H    ILE  12           H        ILE  12   1.963   3.529  -0.216
  105    HA   ILE  12           HA       ILE  12   0.459   5.056  -0.983
  106    HB   ILE  12           HB       ILE  12   2.529   7.055  -0.057
  107   1HG1  ILE  12          2HG1      ILE  12   1.738   5.594   1.741
  108   2HG1  ILE  12          1HG1      ILE  12   1.114   7.228   1.952
  109   1HG2  ILE  12          1HG2      ILE  12  -0.350   7.398  -0.868
  110   2HG2  ILE  12          2HG2      ILE  12   1.072   8.172  -1.567
  111   3HG2  ILE  12          3HG2      ILE  12   0.548   8.599   0.062
  112   1HD1  ILE  12          1HD1      ILE  12  -0.685   5.829   2.436
  113   2HD1  ILE  12          2HD1      ILE  12  -0.344   4.768   1.068
  114   3HD1  ILE  12          3HD1      ILE  12  -0.990   6.385   0.789
  Start of MODEL    5
    1   1H    HIS   1          1HT       HIS   1  -6.702   5.364   6.012
    2   2H    HIS   1          2HT       HIS   1  -5.632   5.828   7.270
    3   3H    HIS   1          3HT       HIS   1  -6.719   4.520   7.504
    4    HA   HIS   1           HA       HIS   1  -4.392   4.652   5.714
    5   1HB   HIS   1          2HB       HIS   1  -5.118   2.905   8.078
    6   2HB   HIS   1          1HB       HIS   1  -3.655   2.749   7.111
    7    HD1  HIS   1           1HD      HIS   1  -2.346   5.306   7.025
    8    HD2  HIS   1           2HD      HIS   1  -4.579   4.226  10.359
    9    HE1  HIS   1           1HE      HIS   1  -1.506   6.760   8.896
   10    HE2  HIS   1           2HE      HIS   1  -2.800   6.015  10.925
   11    HA   PRO   2           HA       PRO   2  -7.386   2.051   3.404
   12   1HB   PRO   2          2HB       PRO   2  -6.137   2.362   1.004
   13   2HB   PRO   2          1HB       PRO   2  -7.304   3.522   1.645
   14   1HG   PRO   2          2HG       PRO   2  -4.313   3.623   1.688
   15   2HG   PRO   2          1HG       PRO   2  -5.472   4.920   1.340
   16   1HD   PRO   2          2HD       PRO   2  -4.257   4.677   3.740
   17   2HD   PRO   2          1HD       PRO   2  -5.911   5.300   3.574
   18    H    LEU   3           H        LEU   3  -7.037  -0.034   3.868
   19    HA   LEU   3           HA       LEU   3  -4.416  -1.197   3.266
   20   1HB   LEU   3          2HB       LEU   3  -5.075  -3.034   4.751
   21   2HB   LEU   3          1HB       LEU   3  -5.096  -1.478   5.553
   22    HG   LEU   3           HG       LEU   3  -7.546  -1.411   5.345
   23   1HD1  LEU   3          1HD1      LEU   3  -8.614  -3.703   4.833
   24   2HD1  LEU   3          2HD1      LEU   3  -7.117  -4.023   3.958
   25   3HD1  LEU   3          3HD1      LEU   3  -8.138  -2.662   3.493
   26   1HD2  LEU   3          1HD2      LEU   3  -6.492  -2.296   7.363
   27   2HD2  LEU   3          2HD2      LEU   3  -6.499  -3.912   6.658
   28   3HD2  LEU   3          3HD2      LEU   3  -8.023  -3.104   7.025
   29    H    LYS   4           H        LYS   4  -6.872  -0.693   1.452
   30    HA   LYS   4           HA       LYS   4  -7.515  -3.391   0.608
   31   1HB   LYS   4          2HB       LYS   4  -9.279  -1.701   0.605
   32   2HB   LYS   4          1HB       LYS   4  -8.350  -0.713  -0.513
   33   1HG   LYS   4          2HG       LYS   4  -8.541  -2.453  -2.216
   34   2HG   LYS   4          1HG       LYS   4  -9.474  -3.446  -1.093
   35   1HD   LYS   4          2HD       LYS   4 -11.197  -1.708  -0.994
   36   2HD   LYS   4          1HD       LYS   4 -10.262  -0.717  -2.114
   37   1HE   LYS   4          2HE       LYS   4 -10.468  -2.456  -3.822
   38   2HE   LYS   4          1HE       LYS   4 -11.401  -3.448  -2.701
   39   1HZ   LYS   4          1HZ       LYS   4 -13.117  -2.452  -3.734
   40   2HZ   LYS   4          2HZ       LYS   4 -12.209  -1.112  -4.225
   41   3HZ   LYS   4          3HZ       LYS   4 -12.805  -1.194  -2.645
   42    H    GLN   5           H        GLN   5  -5.229  -0.971  -0.147
   43    HA   GLN   5           HA       GLN   5  -4.751  -1.885  -2.848
   44   1HB   GLN   5          2HB       GLN   5  -4.466   0.483  -2.313
   45   2HB   GLN   5          1HB       GLN   5  -3.233   0.080  -1.125
   46   1HG   GLN   5          2HG       GLN   5  -1.804  -0.795  -2.902
   47   2HG   GLN   5          1HG       GLN   5  -3.041  -0.392  -4.093
   48   1HE2  GLN   5          1HE2      GLN   5  -0.212   0.600  -2.844
   49   2HE2  GLN   5          2HE2      GLN   5  -0.324   2.299  -3.136
   50    H    TYR   6           H        TYR   6  -3.636  -2.623   0.313
   51    HA   TYR   6           HA       TYR   6  -2.104  -4.099   1.116
   52   1HB   TYR   6          2HB       TYR   6  -2.165  -5.152  -1.721
   53   2HB   TYR   6          1HB       TYR   6  -1.454  -5.986  -0.344
   54    HD1  TYR   6           1HD      TYR   6  -3.190  -7.651  -1.597
   55    HD2  TYR   6           2HD      TYR   6  -4.263  -4.412   0.947
   56    HE1  TYR   6           1HE      TYR   6  -5.349  -8.733  -1.136
   57    HE2  TYR   6           2HE      TYR   6  -6.423  -5.484   1.411
   58    HH   TYR   6           HH       TYR   6  -7.095  -8.721   0.537
   59    H    TRP   7           H        TRP   7  -0.582  -2.419   1.465
   60    HA   TRP   7           HA       TRP   7   1.375  -1.818  -0.568
   61   1HB   TRP   7          2HB       TRP   7   2.392  -0.377   1.154
   62   2HB   TRP   7          1HB       TRP   7   0.669  -0.062   0.974
   63    HD1  TRP   7           HD       TRP   7   2.768  -2.430   3.248
   64    HE1  TRP   7           1HE      TRP   7   1.823  -2.254   5.637
   65    HE3  TRP   7           3HE      TRP   7  -0.975   0.943   2.394
   66    HZ2  TRP   7           2HZ      TRP   7  -0.237  -0.867   6.981
   67    HZ3  TRP   7           3HZ      TRP   7  -2.388   1.643   4.284
   68    HH2  TRP   7           HH       TRP   7  -2.025   0.756   6.529
   69    H    TRP   8           H        TRP   8   3.765  -1.808   0.260
   70    HA   TRP   8           HA       TRP   8   4.669  -3.772   2.044
   71   1HB   TRP   8          2HB       TRP   8   3.684  -5.334   0.420
   72   2HB   TRP   8          1HB       TRP   8   4.653  -4.627  -0.859
   73    HD1  TRP   8           HD       TRP   8   5.239  -7.425  -0.937
   74    HE1  TRP   8           1HE      TRP   8   7.286  -8.602   0.074
   75    HE3  TRP   8           3HE      TRP   8   6.559  -3.942   2.596
   76    HZ2  TRP   8           2HZ      TRP   8   9.184  -8.144   2.095
   77    HZ3  TRP   8           3HZ      TRP   8   8.494  -4.409   4.028
   78    HH2  TRP   8           HH       TRP   8   9.777  -6.470   3.788
   79    H    ARG   9           H        ARG   9   6.144  -3.648  -1.110
   80    HA   ARG   9           HA       ARG   9   8.542  -2.546  -0.078
   81   1HB   ARG   9          2HB       ARG   9   7.671  -2.930  -2.946
   82   2HB   ARG   9          1HB       ARG   9   9.306  -2.550  -2.425
   83   1HG   ARG   9          2HG       ARG   9   7.769  -5.048  -1.740
   84   2HG   ARG   9          1HG       ARG   9   9.065  -4.914  -2.931
   85   1HD   ARG   9          2HD       ARG   9  10.624  -4.268  -1.159
   86   2HD   ARG   9          1HD       ARG   9   9.329  -4.401   0.029
   87    HE   ARG   9           HE       ARG   9   9.530  -6.836  -1.331
   88   1HH1  ARG   9          1HH1      ARG   9  11.377  -4.892   0.902
   89   2HH1  ARG   9          2HH1      ARG   9  12.175  -6.250   1.619
   90   1HH2  ARG   9          1HH2      ARG   9  10.579  -8.624  -0.390
   91   2HH2  ARG   9          2HH2      ARG   9  11.723  -8.370   0.885
   92    HA   PRO  10           HA       PRO  10   7.264   1.431  -2.477
   93   1HB   PRO  10          2HB       PRO  10   4.683   1.728  -3.213
   94   2HB   PRO  10          1HB       PRO  10   5.879   0.935  -4.245
   95   1HG   PRO  10          2HG       PRO  10   3.823  -0.285  -2.444
   96   2HG   PRO  10          1HG       PRO  10   4.290  -0.755  -4.089
   97   1HD   PRO  10          2HD       PRO  10   5.185  -2.043  -1.874
   98   2HD   PRO  10          1HD       PRO  10   6.134  -1.920  -3.367
   99    H    SER  11           H        SER  11   5.107  -0.060  -0.210
  100    HA   SER  11           HA       SER  11   3.971   0.705   1.617
  101   1HB   SER  11          2HB       SER  11   6.269   2.677   1.642
  102   2HB   SER  11          1HB       SER  11   5.193   2.350   2.999
  103    HG   SER  11           HG       SER  11   6.707   0.931   3.434
  104    H    ILE  12           H        ILE  12   3.251   1.861  -0.991
  105    HA   ILE  12           HA       ILE  12   2.456   4.587  -0.321
  106    HB   ILE  12           HB       ILE  12   2.088   3.015  -2.877
  107   1HG1  ILE  12          2HG1      ILE  12   4.433   3.537  -2.405
  108   2HG1  ILE  12          1HG1      ILE  12   3.846   4.497  -3.760
  109   1HG2  ILE  12          1HG2      ILE  12   0.404   4.552  -3.064
  110   2HG2  ILE  12          2HG2      ILE  12   1.750   5.500  -3.696
  111   3HG2  ILE  12          3HG2      ILE  12   1.214   5.730  -2.032
  112   1HD1  ILE  12          1HD1      ILE  12   4.805   6.195  -2.674
  113   2HD1  ILE  12          2HD1      ILE  12   4.817   5.335  -1.134
  114   3HD1  ILE  12          3HD1      ILE  12   3.353   6.160  -1.673
  Start of MODEL    6
    1   1H    HIS   1          1HT       HIS   1  -4.022   8.267   3.308
    2   2H    HIS   1          2HT       HIS   1  -5.436   7.676   4.079
    3   3H    HIS   1          3HT       HIS   1  -5.184   7.387   2.407
    4    HA   HIS   1           HA       HIS   1  -3.135   6.174   3.050
    5   1HB   HIS   1          2HB       HIS   1  -4.506   6.366   5.742
    6   2HB   HIS   1          1HB       HIS   1  -3.112   5.353   5.383
    7    HD1  HIS   1           1HD      HIS   1  -1.067   7.003   4.221
    8    HD2  HIS   1           2HD      HIS   1  -3.716   8.619   6.983
    9    HE1  HIS   1           1HE      HIS   1   0.075   9.050   5.128
   10    HE2  HIS   1           2HE      HIS   1  -1.512   9.964   6.859
   11    HA   PRO   2           HA       PRO   2  -6.703   3.483   1.951
   12   1HB   PRO   2          2HB       PRO   2  -5.377   2.148  -0.012
   13   2HB   PRO   2          1HB       PRO   2  -6.186   3.696  -0.276
   14   1HG   PRO   2          2HG       PRO   2  -3.286   3.134   0.207
   15   2HG   PRO   2          1HG       PRO   2  -4.031   4.244  -0.958
   16   1HD   PRO   2          2HD       PRO   2  -2.979   5.097   1.380
   17   2HD   PRO   2          1HD       PRO   2  -4.388   5.876   0.634
   18    H    LEU   3           H        LEU   3  -6.949   1.161   2.059
   19    HA   LEU   3           HA       LEU   3  -4.709  -0.304   3.221
   20   1HB   LEU   3          2HB       LEU   3  -6.104  -1.172   5.040
   21   2HB   LEU   3          1HB       LEU   3  -5.867   0.560   5.140
   22    HG   LEU   3           HG       LEU   3  -8.125   0.913   4.229
   23   1HD1  LEU   3          1HD1      LEU   3  -8.654  -0.917   2.915
   24   2HD1  LEU   3          2HD1      LEU   3  -9.643  -1.170   4.352
   25   3HD1  LEU   3          3HD1      LEU   3  -8.144  -2.074   4.144
   26   1HD2  LEU   3          1HD2      LEU   3  -9.283  -0.353   6.264
   27   2HD2  LEU   3          2HD2      LEU   3  -8.271   1.074   6.484
   28   3HD2  LEU   3          3HD2      LEU   3  -7.600  -0.533   6.755
   29    H    LYS   4           H        LYS   4  -6.543  -0.269   0.730
   30    HA   LYS   4           HA       LYS   4  -7.345  -3.096   0.840
   31   1HB   LYS   4          2HB       LYS   4  -9.187  -1.569   0.349
   32   2HB   LYS   4          1HB       LYS   4  -8.288  -0.897  -1.005
   33   1HG   LYS   4          2HG       LYS   4  -8.370  -3.060  -2.136
   34   2HG   LYS   4          1HG       LYS   4  -9.270  -3.736  -0.777
   35   1HD   LYS   4          2HD       LYS   4 -11.077  -2.134  -1.180
   36   2HD   LYS   4          1HD       LYS   4 -10.175  -1.458  -2.538
   37   1HE   LYS   4          2HE       LYS   4 -10.270  -3.623  -3.674
   38   2HE   LYS   4          1HE       LYS   4 -11.168  -4.297  -2.316
   39   1HZ   LYS   4          1HZ       LYS   4 -12.070  -2.547  -4.450
   40   2HZ   LYS   4          2HZ       LYS   4 -12.682  -2.197  -2.913
   41   3HZ   LYS   4          3HZ       LYS   4 -12.918  -3.730  -3.586
   42    H    GLN   5           H        GLN   5  -5.154  -0.891  -0.571
   43    HA   GLN   5           HA       GLN   5  -4.618  -2.417  -2.943
   44   1HB   GLN   5          2HB       GLN   5  -4.260   0.000  -2.918
   45   2HB   GLN   5          1HB       GLN   5  -3.061  -0.177  -1.644
   46   1HG   GLN   5          2HG       GLN   5  -1.634  -1.452  -3.161
   47   2HG   GLN   5          1HG       GLN   5  -2.838  -1.277  -4.438
   48   1HE2  GLN   5          1HE2      GLN   5   0.003  -0.123  -3.358
   49   2HE2  GLN   5          2HE2      GLN   5  -0.047   1.476  -4.010
   50    H    TYR   6           H        TYR   6  -3.622  -2.556   0.327
   51    HA   TYR   6           HA       TYR   6  -2.174  -3.899   1.453
   52   1HB   TYR   6          2HB       TYR   6  -2.111  -5.428  -1.158
   53   2HB   TYR   6          1HB       TYR   6  -1.487  -6.018   0.377
   54    HD1  TYR   6           1HD      TYR   6  -3.190  -7.856  -0.660
   55    HD2  TYR   6           2HD      TYR   6  -4.328  -4.213   1.224
   56    HE1  TYR   6           1HE      TYR   6  -5.390  -8.819  -0.136
   57    HE2  TYR   6           2HE      TYR   6  -6.530  -5.167   1.749
   58    HH   TYR   6           HH       TYR   6  -7.630  -8.115   0.391
   59    H    TRP   7           H        TRP   7  -0.697  -2.095   1.491
   60    HA   TRP   7           HA       TRP   7   1.287  -1.638  -0.436
   61   1HB   TRP   7          2HB       TRP   7   2.459  -0.390   1.337
   62   2HB   TRP   7          1HB       TRP   7   0.745   0.008   1.282
   63    HD1  TRP   7           HD       TRP   7   2.857  -2.622   3.232
   64    HE1  TRP   7           1HE      TRP   7   2.054  -2.612   5.676
   65    HE3  TRP   7           3HE      TRP   7  -0.785   0.947   2.873
   66    HZ2  TRP   7           2HZ      TRP   7   0.130  -1.267   7.246
   67    HZ3  TRP   7           3HZ      TRP   7  -2.061   1.538   4.892
   68    HH2  TRP   7           HH       TRP   7  -1.612   0.451   7.033
   69    H    TRP   8           H        TRP   8   3.717  -1.790   0.262
   70    HA   TRP   8           HA       TRP   8   4.624  -3.938   1.816
   71   1HB   TRP   8          2HB       TRP   8   3.493  -5.310   0.119
   72   2HB   TRP   8          1HB       TRP   8   4.424  -4.528  -1.145
   73    HD1  TRP   8           HD       TRP   8   4.884  -7.329  -1.498
   74    HE1  TRP   8           1HE      TRP   8   6.928  -8.669  -0.708
   75    HE3  TRP   8           3HE      TRP   8   6.533  -4.228   2.247
   76    HZ2  TRP   8           2HZ      TRP   8   8.945  -8.467   1.237
   77    HZ3  TRP   8           3HZ      TRP   8   8.518  -4.895   3.523
   78    HH2  TRP   8           HH       TRP   8   9.697  -6.973   3.034
   79    H    ARG   9           H        ARG   9   5.945  -3.593  -1.389
   80    HA   ARG   9           HA       ARG   9   8.446  -2.716  -0.417
   81   1HB   ARG   9          2HB       ARG   9   7.368  -2.698  -3.240
   82   2HB   ARG   9          1HB       ARG   9   9.053  -2.465  -2.796
   83   1HG   ARG   9          2HG       ARG   9   7.427  -4.952  -2.307
   84   2HG   ARG   9          1HG       ARG   9   8.645  -4.733  -3.565
   85   1HD   ARG   9          2HD       ARG   9  10.353  -4.387  -1.847
   86   2HD   ARG   9          1HD       ARG   9   9.134  -4.603  -0.591
   87    HE   ARG   9           HE       ARG   9   9.106  -6.859  -2.245
   88   1HH1  ARG   9          1HH1      ARG   9  11.210  -5.291   0.057
   89   2HH1  ARG   9          2HH1      ARG   9  11.976  -6.764   0.549
   90   1HH2  ARG   9          1HH2      ARG   9  10.112  -8.798  -1.599
   91   2HH2  ARG   9          2HH2      ARG   9  11.354  -8.755  -0.391
   92    HA   PRO  10           HA       PRO  10   7.254   1.587  -2.233
   93   1HB   PRO  10          2HB       PRO  10   4.648   2.099  -2.732
   94   2HB   PRO  10          1HB       PRO  10   5.726   1.389  -3.940
   95   1HG   PRO  10          2HG       PRO  10   3.735   0.044  -2.154
   96   2HG   PRO  10          1HG       PRO  10   4.058  -0.230  -3.876
   97   1HD   PRO  10          2HD       PRO  10   5.032  -1.838  -1.923
   98   2HD   PRO  10          1HD       PRO  10   5.889  -1.554  -3.449
   99    H    SER  11           H        SER  11   5.094  -0.041  -0.052
  100    HA   SER  11           HA       SER  11   4.112   0.553   1.921
  101   1HB   SER  11          2HB       SER  11   6.592   2.281   2.096
  102   2HB   SER  11          1HB       SER  11   5.545   1.862   3.452
  103    HG   SER  11           HG       SER  11   6.171  -0.244   3.285
  104    H    ILE  12           H        ILE  12   2.241   1.587   1.366
  105    HA   ILE  12           HA       ILE  12   2.084   4.225   0.370
  106    HB   ILE  12           HB       ILE  12  -0.027   2.593   1.791
  107   1HG1  ILE  12          2HG1      ILE  12   0.813   1.511  -0.237
  108   2HG1  ILE  12          1HG1      ILE  12  -0.830   2.093  -0.483
  109   1HG2  ILE  12          1HG2      ILE  12  -0.054   5.286   0.584
  110   2HG2  ILE  12          2HG2      ILE  12  -1.057   4.603   1.864
  111   3HG2  ILE  12          3HG2      ILE  12  -1.412   4.238   0.175
  112   1HD1  ILE  12          1HD1      ILE  12   1.533   2.679  -1.965
  113   2HD1  ILE  12          2HD1      ILE  12   0.880   4.170  -1.286
  114   3HD1  ILE  12          3HD1      ILE  12  -0.136   3.142  -2.297
  Start of MODEL    7
    1   1H    HIS   1          1HT       HIS   1  -6.731   7.488  -1.007
    2   2H    HIS   1          2HT       HIS   1  -7.491   5.971  -0.750
    3   3H    HIS   1          3HT       HIS   1  -6.677   6.287  -2.228
    4    HA   HIS   1           HA       HIS   1  -4.603   6.386  -1.139
    5   1HB   HIS   1          2HB       HIS   1  -6.233   5.883   1.364
    6   2HB   HIS   1          1HB       HIS   1  -4.475   5.924   1.289
    7    HD1  HIS   1           1HD      HIS   1  -3.675   8.395   0.060
    8    HD2  HIS   1           2HD      HIS   1  -7.172   8.224   2.299
    9    HE1  HIS   1           1HE      HIS   1  -4.159  10.769   0.733
   10    HE2  HIS   1           2HE      HIS   1  -6.223  10.627   2.171
   11    HA   PRO   2           HA       PRO   2  -4.647   2.001  -1.764
   12   1HB   PRO   2          2HB       PRO   2  -2.055   1.439  -1.411
   13   2HB   PRO   2          1HB       PRO   2  -2.605   2.420  -2.776
   14   1HG   PRO   2          2HG       PRO   2  -1.371   3.290  -0.193
   15   2HG   PRO   2          1HG       PRO   2  -1.064   3.883  -1.836
   16   1HD   PRO   2          2HD       PRO   2  -2.703   5.137  -0.014
   17   2HD   PRO   2          1HD       PRO   2  -2.842   5.318  -1.773
   18    H    LEU   3           H        LEU   3  -5.751   2.470   0.679
   19    HA   LEU   3           HA       LEU   3  -4.209   1.077   2.698
   20   1HB   LEU   3          2HB       LEU   3  -6.083   1.585   4.192
   21   2HB   LEU   3          1HB       LEU   3  -5.450   3.015   3.402
   22    HG   LEU   3           HG       LEU   3  -7.343   2.974   1.830
   23   1HD1  LEU   3          1HD1      LEU   3  -8.173   0.875   1.573
   24   2HD1  LEU   3          2HD1      LEU   3  -9.311   1.481   2.775
   25   3HD1  LEU   3          3HD1      LEU   3  -7.963   0.461   3.275
   26   1HD2  LEU   3          1HD2      LEU   3  -7.358   4.194   4.047
   27   2HD2  LEU   3          2HD2      LEU   3  -8.366   2.879   4.653
   28   3HD2  LEU   3          3HD2      LEU   3  -8.932   3.879   3.315
   29    H    LYS   4           H        LYS   4  -6.321   0.224   0.232
   30    HA   LYS   4           HA       LYS   4  -7.079  -2.260   1.613
   31   1HB   LYS   4          2HB       LYS   4  -9.000  -0.934   0.895
   32   2HB   LYS   4          1HB       LYS   4  -8.384  -0.906  -0.751
   33   1HG   LYS   4          2HG       LYS   4  -8.654  -3.329  -0.897
   34   2HG   LYS   4          1HG       LYS   4  -9.271  -3.357   0.757
   35   1HD   LYS   4          2HD       LYS   4 -11.138  -1.925   0.084
   36   2HD   LYS   4          1HD       LYS   4 -10.521  -1.896  -1.569
   37   1HE   LYS   4          2HE       LYS   4 -10.810  -4.321  -1.716
   38   2HE   LYS   4          1HE       LYS   4 -11.426  -4.349  -0.065
   39   1HZ   LYS   4          1HZ       LYS   4 -12.987  -4.188  -2.204
   40   2HZ   LYS   4          2HZ       LYS   4 -12.771  -2.539  -1.897
   41   3HZ   LYS   4          3HZ       LYS   4 -13.415  -3.544  -0.699
   42    H    GLN   5           H        GLN   5  -5.247  -0.922  -0.940
   43    HA   GLN   5           HA       GLN   5  -5.149  -3.226  -2.617
   44   1HB   GLN   5          2HB       GLN   5  -4.676  -0.995  -3.496
   45   2HB   GLN   5          1HB       GLN   5  -3.286  -0.854  -2.429
   46   1HG   GLN   5          2HG       GLN   5  -2.204  -2.709  -3.589
   47   2HG   GLN   5          1HG       GLN   5  -3.598  -2.851  -4.659
   48   1HE2  GLN   5          1HE2      GLN   5  -0.564  -1.701  -4.469
   49   2HE2  GLN   5          2HE2      GLN   5  -0.647  -0.421  -5.626
   50    H    TYR   6           H        TYR   6  -3.587  -2.318   0.295
   51    HA   TYR   6           HA       TYR   6  -2.032  -3.334   1.605
   52   1HB   TYR   6          2HB       TYR   6  -2.522  -5.682  -0.240
   53   2HB   TYR   6          1HB       TYR   6  -1.662  -5.760   1.291
   54    HD1  TYR   6           1HD      TYR   6  -3.615  -7.640   1.271
   55    HD2  TYR   6           2HD      TYR   6  -4.206  -3.461   1.832
   56    HE1  TYR   6           1HE      TYR   6  -5.731  -8.098   2.435
   57    HE2  TYR   6           2HE      TYR   6  -6.322  -3.911   2.994
   58    HH   TYR   6           HH       TYR   6  -7.208  -6.983   4.082
   59    H    TRP   7           H        TRP   7  -0.438  -1.856   0.834
   60    HA   TRP   7           HA       TRP   7   1.197  -2.404  -1.419
   61   1HB   TRP   7          2HB       TRP   7   2.662  -0.637  -0.520
   62   2HB   TRP   7          1HB       TRP   7   0.972  -0.141  -0.527
   63    HD1  TRP   7           HD       TRP   7   3.279  -1.884   2.086
   64    HE1  TRP   7           1HE      TRP   7   2.857  -0.769   4.366
   65    HE3  TRP   7           3HE      TRP   7  -0.273   1.516   0.682
   66    HZ2  TRP   7           2HZ      TRP   7   1.234   1.281   5.430
   67    HZ3  TRP   7           3HZ      TRP   7  -1.210   3.017   2.394
   68    HH2  TRP   7           HH       TRP   7  -0.471   2.900   4.718
   69    H    TRP   8           H        TRP   8   3.764  -2.278  -0.791
   70    HA   TRP   8           HA       TRP   8   4.350  -4.325   1.212
   71   1HB   TRP   8          2HB       TRP   8   4.038  -5.521  -0.917
   72   2HB   TRP   8          1HB       TRP   8   5.232  -4.485  -1.678
   73    HD1  TRP   8           HD       TRP   8   6.146  -7.152  -2.154
   74    HE1  TRP   8           1HE      TRP   8   7.953  -8.424  -0.844
   75    HE3  TRP   8           3HE      TRP   8   6.011  -4.515   2.248
   76    HZ2  TRP   8           2HZ      TRP   8   9.145  -8.347   1.700
   77    HZ3  TRP   8           3HZ      TRP   8   7.511  -5.198   4.063
   78    HH2  TRP   8           HH       TRP   8   9.042  -7.078   3.798
   79    H    ARG   9           H        ARG   9   6.573  -3.350  -1.295
   80    HA   ARG   9           HA       ARG   9   8.381  -2.269   0.654
   81   1HB   ARG   9          2HB       ARG   9   8.596  -2.387  -2.358
   82   2HB   ARG   9          1HB       ARG   9   9.889  -1.909  -1.269
   83   1HG   ARG   9          2HG       ARG   9   8.570  -4.614  -1.361
   84   2HG   ARG   9          1HG       ARG   9  10.157  -4.207  -2.016
   85   1HD   ARG   9          2HD       ARG   9  10.928  -3.618   0.233
   86   2HD   ARG   9          1HD       ARG   9   9.343  -4.029   0.884
   87    HE   ARG   9           HE       ARG   9  10.326  -6.247  -0.506
   88   1HH1  ARG   9          1HH1      ARG   9  11.033  -4.396   2.367
   89   2HH1  ARG   9          2HH1      ARG   9  11.730  -5.739   3.210
   90   1HH2  ARG   9          1HH2      ARG   9  11.240  -8.013   0.602
   91   2HH2  ARG   9          2HH2      ARG   9  11.848  -7.792   2.210
   92    HA   PRO  10           HA       PRO  10   7.377   1.841  -1.552
   93   1HB   PRO  10          2HB       PRO  10   5.432   1.988  -3.379
   94   2HB   PRO  10          1HB       PRO  10   7.032   1.367  -3.795
   95   1HG   PRO  10          2HG       PRO  10   4.502  -0.121  -3.257
   96   2HG   PRO  10          1HG       PRO  10   5.760  -0.443  -4.463
   97   1HD   PRO  10          2HD       PRO  10   5.508  -1.735  -2.017
   98   2HD   PRO  10          1HD       PRO  10   6.981  -1.686  -3.003
   99    H    SER  11           H        SER  11   5.109   3.267  -1.997
  100    HA   SER  11           HA       SER  11   3.323   4.235  -0.978
  101   1HB   SER  11          2HB       SER  11   2.801   1.424   0.021
  102   2HB   SER  11          1HB       SER  11   1.656   2.761   0.098
  103    HG   SER  11           HG       SER  11   1.914   2.854  -2.258
  104    H    ILE  12           H        ILE  12   4.621   5.512   0.369
  105    HA   ILE  12           HA       ILE  12   5.289   6.398   2.356
  106    HB   ILE  12           HB       ILE  12   3.450   4.306   3.534
  107   1HG1  ILE  12          2HG1      ILE  12   2.297   5.856   2.029
  108   2HG1  ILE  12          1HG1      ILE  12   1.839   6.162   3.702
  109   1HG2  ILE  12          1HG2      ILE  12   3.467   6.288   5.347
  110   2HG2  ILE  12          2HG2      ILE  12   5.119   6.417   4.746
  111   3HG2  ILE  12          3HG2      ILE  12   4.544   4.893   5.423
  112   1HD1  ILE  12          1HD1      ILE  12   2.369   8.285   3.411
  113   2HD1  ILE  12          2HD1      ILE  12   2.956   7.947   1.783
  114   3HD1  ILE  12          3HD1      ILE  12   4.049   7.811   3.160
  Start of MODEL    8
    1   1H    HIS   1          1HT       HIS   1  -6.623   8.071   1.245
    2   2H    HIS   1          2HT       HIS   1  -5.207   7.676   0.358
    3   3H    HIS   1          3HT       HIS   1  -5.118   8.766   1.681
    4    HA   HIS   1           HA       HIS   1  -4.299   6.821   2.515
    5   1HB   HIS   1          2HB       HIS   1  -7.262   6.937   3.134
    6   2HB   HIS   1          1HB       HIS   1  -6.050   6.120   4.115
    7    HD1  HIS   1           1HD      HIS   1  -3.957   7.991   4.721
    8    HD2  HIS   1           2HD      HIS   1  -7.856   9.332   4.206
    9    HE1  HIS   1           1HE      HIS   1  -4.059  10.221   5.879
   10    HE2  HIS   1           2HE      HIS   1  -6.401  11.055   5.472
   11    HA   PRO   2           HA       PRO   2  -5.834   3.650  -0.510
   12   1HB   PRO   2          2HB       PRO   2  -3.423   2.853  -1.409
   13   2HB   PRO   2          1HB       PRO   2  -4.244   4.276  -2.060
   14   1HG   PRO   2          2HG       PRO   2  -2.038   4.120  -0.044
   15   2HG   PRO   2          1HG       PRO   2  -2.232   5.238  -1.406
   16   1HD   PRO   2          2HD       PRO   2  -2.846   5.889   1.173
   17   2HD   PRO   2          1HD       PRO   2  -3.645   6.615  -0.235
   18    H    LEU   3           H        LEU   3  -6.412   2.660   1.606
   19    HA   LEU   3           HA       LEU   3  -4.388   0.861   2.687
   20   1HB   LEU   3          2HB       LEU   3  -5.980   0.460   4.504
   21   2HB   LEU   3          1HB       LEU   3  -5.597   2.157   4.311
   22    HG   LEU   3           HG       LEU   3  -7.743   2.501   3.157
   23   1HD1  LEU   3          1HD1      LEU   3  -8.484   0.602   2.160
   24   2HD1  LEU   3          2HD1      LEU   3  -9.399   0.495   3.663
   25   3HD1  LEU   3          3HD1      LEU   3  -7.917  -0.439   3.466
   26   1HD2  LEU   3          1HD2      LEU   3  -9.180   2.214   5.137
   27   2HD2  LEU   3          2HD2      LEU   3  -7.610   2.914   5.530
   28   3HD2  LEU   3          3HD2      LEU   3  -7.928   1.213   5.874
   29    H    LYS   4           H        LYS   4  -6.886   0.793   0.432
   30    HA   LYS   4           HA       LYS   4  -7.425  -2.056   0.823
   31   1HB   LYS   4          2HB       LYS   4  -9.357  -0.600   0.451
   32   2HB   LYS   4          1HB       LYS   4  -8.668  -0.052  -1.071
   33   1HG   LYS   4          2HG       LYS   4  -8.850  -2.315  -1.971
   34   2HG   LYS   4          1HG       LYS   4  -9.540  -2.866  -0.443
   35   1HD   LYS   4          2HD       LYS   4 -11.424  -1.331  -0.742
   36   2HD   LYS   4          1HD       LYS   4 -10.732  -0.779  -2.269
   37   1HE   LYS   4          2HE       LYS   4 -10.928  -3.045  -3.173
   38   2HE   LYS   4          1HE       LYS   4 -11.617  -3.595  -1.646
   39   1HZ   LYS   4          1HZ       LYS   4 -13.153  -2.939  -3.619
   40   2HZ   LYS   4          2HZ       LYS   4 -12.892  -1.363  -3.067
   41   3HZ   LYS   4          3HZ       LYS   4 -13.582  -2.513  -2.038
   42    H    GLN   5           H        GLN   5  -5.230  -2.631   0.204
   43    HA   GLN   5           HA       GLN   5  -5.037  -3.572  -2.409
   44   1HB   GLN   5          2HB       GLN   5  -4.734  -1.232  -3.048
   45   2HB   GLN   5          1HB       GLN   5  -3.398  -1.083  -1.915
   46   1HG   GLN   5          2HG       GLN   5  -2.119  -2.714  -3.206
   47   2HG   GLN   5          1HG       GLN   5  -3.460  -2.865  -4.340
   48   1HE2  GLN   5          1HE2      GLN   5  -0.546  -1.491  -3.921
   49   2HE2  GLN   5          2HE2      GLN   5  -0.705  -0.112  -4.950
   50    H    TYR   6           H        TYR   6  -3.469  -2.637   0.536
   51    HA   TYR   6           HA       TYR   6  -1.892  -3.649   1.822
   52   1HB   TYR   6          2HB       TYR   6  -2.208  -5.945  -0.124
   53   2HB   TYR   6          1HB       TYR   6  -1.342  -6.022   1.403
   54    HD1  TYR   6           1HD      TYR   6  -3.148  -8.042   1.298
   55    HD2  TYR   6           2HD      TYR   6  -4.049  -3.949   2.043
   56    HE1  TYR   6           1HE      TYR   6  -5.220  -8.709   2.440
   57    HE2  TYR   6           2HE      TYR   6  -6.122  -4.607   3.185
   58    HH   TYR   6           HH       TYR   6  -7.714  -6.742   3.028
   59    H    TRP   7           H        TRP   7  -0.424  -2.022   1.125
   60    HA   TRP   7           HA       TRP   7   1.224  -2.244  -1.144
   61   1HB   TRP   7          2HB       TRP   7   2.629  -0.542  -0.044
   62   2HB   TRP   7          1HB       TRP   7   0.919  -0.126   0.033
   63    HD1  TRP   7           HD       TRP   7   3.345  -2.085   2.369
   64    HE1  TRP   7           1HE      TRP   7   2.917  -1.294   4.781
   65    HE3  TRP   7           3HE      TRP   7  -0.374   1.308   1.466
   66    HZ2  TRP   7           2HZ      TRP   7   1.230   0.527   6.122
   67    HZ3  TRP   7           3HZ      TRP   7  -1.340   2.531   3.369
   68    HH2  TRP   7           HH       TRP   7  -0.554   2.147   5.648
   69    H    TRP   8           H        TRP   8   3.733  -2.255  -0.802
   70    HA   TRP   8           HA       TRP   8   4.532  -4.364   1.062
   71   1HB   TRP   8          2HB       TRP   8   4.018  -5.473  -1.072
   72   2HB   TRP   8          1HB       TRP   8   5.117  -4.390  -1.907
   73    HD1  TRP   8           HD       TRP   8   5.997  -7.027  -2.586
   74    HE1  TRP   8           1HE      TRP   8   7.947  -8.322  -1.530
   75    HE3  TRP   8           3HE      TRP   8   6.308  -4.569   1.911
   76    HZ2  TRP   8           2HZ      TRP   8   9.405  -8.328   0.873
   77    HZ3  TRP   8           3HZ      TRP   8   8.003  -5.301   3.525
   78    HH2  TRP   8           HH       TRP   8   9.516  -7.146   3.020
   79    H    ARG   9           H        ARG   9   6.546  -3.330  -1.583
   80    HA   ARG   9           HA       ARG   9   8.543  -2.358   0.194
   81   1HB   ARG   9          2HB       ARG   9   8.357  -2.143  -2.816
   82   2HB   ARG   9          1HB       ARG   9   9.784  -1.775  -1.859
   83   1HG   ARG   9          2HG       ARG   9   8.453  -4.466  -2.079
   84   2HG   ARG   9          1HG       ARG   9   9.945  -3.972  -2.882
   85   1HD   ARG   9          2HD       ARG   9  11.002  -3.631  -0.701
   86   2HD   ARG   9          1HD       ARG   9   9.511  -4.127   0.099
   87    HE   ARG   9           HE       ARG   9  10.297  -6.166  -1.648
   88   1HH1  ARG   9          1HH1      ARG   9  11.363  -4.650   1.310
   89   2HH1  ARG   9          2HH1      ARG   9  12.157  -6.071   1.900
   90   1HH2  ARG   9          1HH2      ARG   9  11.343  -8.036  -0.873
   91   2HH2  ARG   9          2HH2      ARG   9  12.147  -7.993   0.661
   92    HA   PRO  10           HA       PRO  10   7.314   1.964  -1.489
   93   1HB   PRO  10          2HB       PRO  10   5.044   2.265  -2.890
   94   2HB   PRO  10          1HB       PRO  10   6.550   1.753  -3.661
   95   1HG   PRO  10          2HG       PRO  10   4.208   0.102  -2.799
   96   2HG   PRO  10          1HG       PRO  10   5.160   0.001  -4.292
   97   1HD   PRO  10          2HD       PRO  10   5.518  -1.655  -2.143
   98   2HD   PRO  10          1HD       PRO  10   6.797  -1.255  -3.305
   99    H    SER  11           H        SER  11   6.957   2.140   0.783
  100    HA   SER  11           HA       SER  11   4.531   1.621   2.082
  101   1HB   SER  11          2HB       SER  11   6.656   3.666   2.773
  102   2HB   SER  11          1HB       SER  11   5.382   3.114   3.860
  103    HG   SER  11           HG       SER  11   7.143   1.883   4.321
  104    H    ILE  12           H        ILE  12   2.858   2.394   0.743
  105    HA   ILE  12           HA       ILE  12   2.499   5.317   0.849
  106    HB   ILE  12           HB       ILE  12   1.615   3.458  -1.364
  107   1HG1  ILE  12          2HG1      ILE  12   4.008   3.960  -1.437
  108   2HG1  ILE  12          1HG1      ILE  12   3.168   4.766  -2.758
  109   1HG2  ILE  12          1HG2      ILE  12   0.006   4.963  -1.721
  110   2HG2  ILE  12          2HG2      ILE  12   1.289   6.059  -2.234
  111   3HG2  ILE  12          3HG2      ILE  12   0.708   6.101  -0.570
  112   1HD1  ILE  12          1HD1      ILE  12   4.047   6.687  -2.120
  113   2HD1  ILE  12          2HD1      ILE  12   4.840   5.887  -0.763
  114   3HD1  ILE  12          3HD1      ILE  12   3.218   6.550  -0.569
  Start of MODEL    9
    1   1H    HIS   1          1HT       HIS   1  -1.704   4.584   6.065
    2   2H    HIS   1          2HT       HIS   1  -0.830   4.447   4.595
    3   3H    HIS   1          3HT       HIS   1   0.005   4.463   6.094
    4    HA   HIS   1           HA       HIS   1  -0.009   2.277   5.440
    5   1HB   HIS   1          2HB       HIS   1  -2.314   2.761   7.343
    6   2HB   HIS   1          1HB       HIS   1  -1.449   1.238   7.163
    7    HD1  HIS   1           1HD      HIS   1   1.361   1.745   7.485
    8    HD2  HIS   1           2HD      HIS   1  -1.416   4.084   9.507
    9    HE1  HIS   1           1HE      HIS   1   2.614   2.759   9.415
   10    HE2  HIS   1           2HE      HIS   1   0.892   4.101  10.674
   11    HA   PRO   2           HA       PRO   2  -2.718   0.932   2.218
   12   1HB   PRO   2          2HB       PRO   2  -2.589  -1.742   3.509
   13   2HB   PRO   2          1HB       PRO   2  -2.211  -1.272   1.848
   14   1HG   PRO   2          2HG       PRO   2  -0.274  -1.834   3.600
   15   2HG   PRO   2          1HG       PRO   2  -0.085  -0.548   2.395
   16   1HD   PRO   2          2HD       PRO   2  -0.646  -0.344   5.318
   17   2HD   PRO   2          1HD       PRO   2   0.324   0.716   4.274
   18    H    LEU   3           H        LEU   3  -4.881   0.636   1.899
   19    HA   LEU   3           HA       LEU   3  -6.510  -0.151   4.205
   20   1HB   LEU   3          2HB       LEU   3  -8.125   1.618   3.699
   21   2HB   LEU   3          1HB       LEU   3  -6.559   2.253   4.156
   22    HG   LEU   3           HG       LEU   3  -6.057   2.698   1.789
   23   1HD1  LEU   3          1HD1      LEU   3  -8.186   2.698   0.291
   24   2HD1  LEU   3          2HD1      LEU   3  -8.729   1.437   1.398
   25   3HD1  LEU   3          3HD1      LEU   3  -7.237   1.223   0.482
   26   1HD2  LEU   3          1HD2      LEU   3  -7.351   4.653   1.614
   27   2HD2  LEU   3          2HD2      LEU   3  -7.205   4.340   3.344
   28   3HD2  LEU   3          3HD2      LEU   3  -8.699   3.937   2.497
   29    H    LYS   4           H        LYS   4  -5.664  -1.030   1.242
   30    HA   LYS   4           HA       LYS   4  -7.762  -2.792   0.829
   31   1HB   LYS   4          2HB       LYS   4  -9.121  -0.827   0.318
   32   2HB   LYS   4          1HB       LYS   4  -7.957  -0.326  -0.899
   33   1HG   LYS   4          2HG       LYS   4  -8.460  -2.328  -2.206
   34   2HG   LYS   4          1HG       LYS   4  -9.627  -2.831  -0.981
   35   1HD   LYS   4          2HD       LYS   4 -10.932  -0.801  -1.393
   36   2HD   LYS   4          1HD       LYS   4  -9.763  -0.297  -2.615
   37   1HE   LYS   4          2HE       LYS   4 -10.282  -2.296  -3.931
   38   2HE   LYS   4          1HE       LYS   4 -11.448  -2.798  -2.708
   39   1HZ   LYS   4          1HZ       LYS   4 -12.346  -1.605  -4.734
   40   2HZ   LYS   4          2HZ       LYS   4 -11.666  -0.196  -4.095
   41   3HZ   LYS   4          3HZ       LYS   4 -12.858  -1.026  -3.230
   42    H    GLN   5           H        GLN   5  -5.214  -0.898  -0.553
   43    HA   GLN   5           HA       GLN   5  -4.768  -2.726  -2.739
   44   1HB   GLN   5          2HB       GLN   5  -4.362  -0.341  -3.070
   45   2HB   GLN   5          1HB       GLN   5  -3.155  -0.355  -1.793
   46   1HG   GLN   5          2HG       GLN   5  -1.768  -1.865  -3.117
   47   2HG   GLN   5          1HG       GLN   5  -2.979  -1.854  -4.398
   48   1HE2  GLN   5          1HE2      GLN   5  -0.108  -0.613  -3.518
   49   2HE2  GLN   5          2HE2      GLN   5  -0.134   0.876  -4.396
   50    H    TYR   6           H        TYR   6  -3.468  -2.118   0.421
   51    HA   TYR   6           HA       TYR   6  -1.909  -3.189   1.697
   52   1HB   TYR   6          2HB       TYR   6  -2.578  -5.490  -0.151
   53   2HB   TYR   6          1HB       TYR   6  -1.715  -5.632   1.374
   54    HD1  TYR   6           1HD      TYR   6  -3.799  -7.370   1.356
   55    HD2  TYR   6           2HD      TYR   6  -4.085  -3.164   1.949
   56    HE1  TYR   6           1HE      TYR   6  -5.933  -7.684   2.536
   57    HE2  TYR   6           2HE      TYR   6  -6.218  -3.469   3.125
   58    HH   TYR   6           HH       TYR   6  -7.373  -5.301   4.399
   59    H    TRP   7           H        TRP   7  -0.333  -1.700   0.678
   60    HA   TRP   7           HA       TRP   7   1.364  -2.787  -1.395
   61   1HB   TRP   7          2HB       TRP   7   2.628  -0.687  -1.157
   62   2HB   TRP   7          1HB       TRP   7   0.905  -0.388  -1.362
   63    HD1  TRP   7           HD       TRP   7   3.224  -0.874   1.729
   64    HE1  TRP   7           1HE      TRP   7   2.612   0.932   3.457
   65    HE3  TRP   7           3HE      TRP   7  -0.527   1.467  -0.836
   66    HZ2  TRP   7           2HZ      TRP   7   0.781   3.066   3.701
   67    HZ3  TRP   7           3HZ      TRP   7  -1.658   3.383   0.214
   68    HH2  TRP   7           HH       TRP   7  -1.017   4.164   2.437
   69    H    TRP   8           H        TRP   8   3.650  -3.107  -1.154
   70    HA   TRP   8           HA       TRP   8   4.386  -3.994   1.556
   71   1HB   TRP   8          2HB       TRP   8   4.246  -5.806  -0.099
   72   2HB   TRP   8          1HB       TRP   8   5.391  -4.966  -1.128
   73    HD1  TRP   8           HD       TRP   8   6.503  -7.574  -0.735
   74    HE1  TRP   8           1HE      TRP   8   8.351  -8.227   0.925
   75    HE3  TRP   8           3HE      TRP   8   6.031  -3.714   2.620
   76    HZ2  TRP   8           2HZ      TRP   8   9.449  -7.268   3.328
   77    HZ3  TRP   8           3HZ      TRP   8   7.516  -3.678   4.572
   78    HH2  TRP   8           HH       TRP   8   9.187  -5.421   4.923
   79    H    ARG   9           H        ARG   9   6.730  -3.753  -0.999
   80    HA   ARG   9           HA       ARG   9   8.502  -2.195   0.488
   81   1HB   ARG   9          2HB       ARG   9   8.390  -2.566  -2.510
   82   2HB   ARG   9          1HB       ARG   9   9.761  -1.927  -1.617
   83   1HG   ARG   9          2HG       ARG   9   8.615  -4.698  -1.345
   84   2HG   ARG   9          1HG       ARG   9  10.094  -4.261  -2.203
   85   1HD   ARG   9          2HD       ARG   9  11.064  -3.447  -0.108
   86   2HD   ARG   9          1HD       ARG   9   9.584  -3.882   0.747
   87    HE   ARG   9           HE       ARG   9  10.545  -6.156  -0.568
   88   1HH1  ARG   9          1HH1      ARG   9  11.445  -4.039   2.055
   89   2HH1  ARG   9          2HH1      ARG   9  12.305  -5.269   2.919
   90   1HH2  ARG   9          1HH2      ARG   9  11.674  -7.776   0.567
   91   2HH2  ARG   9          2HH2      ARG   9  12.436  -7.391   2.074
   92    HA   PRO  10           HA       PRO  10   6.908   1.516  -2.352
   93   1HB   PRO  10          2HB       PRO  10   4.049   0.714  -2.418
   94   2HB   PRO  10          1HB       PRO  10   5.035   1.471  -3.673
   95   1HG   PRO  10          2HG       PRO  10   4.353  -1.100  -3.838
   96   2HG   PRO  10          1HG       PRO  10   5.959  -0.544  -4.348
   97   1HD   PRO  10          2HD       PRO  10   5.150  -1.964  -1.844
   98   2HD   PRO  10          1HD       PRO  10   6.607  -2.166  -2.835
   99    H    SER  11           H        SER  11   4.698   3.002  -1.810
  100    HA   SER  11           HA       SER  11   3.848   2.784   0.911
  101   1HB   SER  11          2HB       SER  11   5.831   4.965   0.217
  102   2HB   SER  11          1HB       SER  11   4.929   4.850   1.728
  103    HG   SER  11           HG       SER  11   5.959   2.742   1.972
  104    H    ILE  12           H        ILE  12   2.717   3.129  -1.751
  105    HA   ILE  12           HA       ILE  12   1.092   5.500  -1.183
  106    HB   ILE  12           HB       ILE  12   2.293   4.894  -3.891
  107   1HG1  ILE  12          2HG1      ILE  12   3.880   5.951  -2.357
  108   2HG1  ILE  12          1HG1      ILE  12   3.401   7.077  -3.624
  109   1HG2  ILE  12          1HG2      ILE  12   0.248   6.918  -3.015
  110   2HG2  ILE  12          2HG2      ILE  12   0.110   5.705  -4.287
  111   3HG2  ILE  12          3HG2      ILE  12   1.183   7.088  -4.501
  112   1HD1  ILE  12          1HD1      ILE  12   1.630   7.397  -1.428
  113   2HD1  ILE  12          2HD1      ILE  12   2.791   8.546  -2.095
  114   3HD1  ILE  12          3HD1      ILE  12   3.289   7.424  -0.828
  Start of MODEL   10
    1   1H    HIS   1          1HT       HIS   1  -3.106   5.351   3.104
    2   2H    HIS   1          2HT       HIS   1  -3.465   6.822   3.908
    3   3H    HIS   1          3HT       HIS   1  -2.754   6.848   2.347
    4    HA   HIS   1           HA       HIS   1  -5.481   6.451   3.168
    5   1HB   HIS   1          2HB       HIS   1  -4.126   7.477   0.664
    6   2HB   HIS   1          1HB       HIS   1  -5.854   7.557   0.987
    7    HD1  HIS   1           1HD      HIS   1  -6.244   8.811   3.541
    8    HD2  HIS   1           2HD      HIS   1  -2.971   9.847   1.199
    9    HE1  HIS   1           1HE      HIS   1  -5.515  11.072   4.366
   10    HE2  HIS   1           2HE      HIS   1  -3.579  11.711   2.885
   11    HA   PRO   2           HA       PRO   2  -5.290   3.306  -0.435
   12   1HB   PRO   2          2HB       PRO   2  -2.933   2.518  -1.439
   13   2HB   PRO   2          1HB       PRO   2  -3.711   4.014  -1.971
   14   1HG   PRO   2          2HG       PRO   2  -1.465   3.631  -0.036
   15   2HG   PRO   2          1HG       PRO   2  -1.661   4.862  -1.296
   16   1HD   PRO   2          2HD       PRO   2  -2.197   5.270   1.369
   17   2HD   PRO   2          1HD       PRO   2  -2.928   6.201   0.050
   18    H    LEU   3           H        LEU   3  -5.858   2.203   1.612
   19    HA   LEU   3           HA       LEU   3  -3.868   0.177   2.366
   20   1HB   LEU   3          2HB       LEU   3  -5.058  -0.020   4.498
   21   2HB   LEU   3          1HB       LEU   3  -4.433   1.593   4.222
   22    HG   LEU   3           HG       LEU   3  -6.687   2.350   3.590
   23   1HD1  LEU   3          1HD1      LEU   3  -8.572   0.752   4.340
   24   2HD1  LEU   3          2HD1      LEU   3  -7.373  -0.515   4.087
   25   3HD1  LEU   3          3HD1      LEU   3  -7.843   0.534   2.749
   26   1HD2  LEU   3          1HD2      LEU   3  -5.733   2.267   5.990
   27   2HD2  LEU   3          2HD2      LEU   3  -6.928   0.994   6.243
   28   3HD2  LEU   3          3HD2      LEU   3  -7.448   2.609   5.761
   29    H    LYS   4           H        LYS   4  -6.087   0.288   0.207
   30    HA   LYS   4           HA       LYS   4  -7.644  -2.049   1.008
   31   1HB   LYS   4          2HB       LYS   4  -8.866  -0.187   0.006
   32   2HB   LYS   4          1HB       LYS   4  -7.856  -0.278  -1.430
   33   1HG   LYS   4          2HG       LYS   4  -8.732  -2.506  -1.911
   34   2HG   LYS   4          1HG       LYS   4  -9.745  -2.416  -0.469
   35   1HD   LYS   4          2HD       LYS   4 -10.904  -0.473  -1.406
   36   2HD   LYS   4          1HD       LYS   4  -9.888  -0.562  -2.847
   37   1HE   LYS   4          2HE       LYS   4 -10.779  -2.789  -3.332
   38   2HE   LYS   4          1HE       LYS   4 -11.791  -2.700  -1.892
   39   1HZ   LYS   4          1HZ       LYS   4 -13.097  -2.134  -3.793
   40   2HZ   LYS   4          2HZ       LYS   4 -11.973  -0.977  -4.302
   41   3HZ   LYS   4          3HZ       LYS   4 -12.863  -0.723  -2.887
   42    H    GLN   5           H        GLN   5  -4.887  -1.233  -0.828
   43    HA   GLN   5           HA       GLN   5  -5.013  -3.752  -2.329
   44   1HB   GLN   5          2HB       GLN   5  -4.608  -1.752  -3.672
   45   2HB   GLN   5          1HB       GLN   5  -3.209  -1.353  -2.685
   46   1HG   GLN   5          2HG       GLN   5  -2.092  -3.388  -3.438
   47   2HG   GLN   5          1HG       GLN   5  -3.496  -3.791  -4.427
   48   1HE2  GLN   5          1HE2      GLN   5  -0.490  -2.560  -4.550
   49   2HE2  GLN   5          2HE2      GLN   5  -0.624  -1.562  -5.954
   50    H    TYR   6           H        TYR   6  -3.547  -2.320   0.388
   51    HA   TYR   6           HA       TYR   6  -1.973  -3.038   1.862
   52   1HB   TYR   6          2HB       TYR   6  -2.239  -5.648   0.353
   53   2HB   TYR   6          1HB       TYR   6  -1.426  -5.449   1.899
   54    HD1  TYR   6           1HD      TYR   6  -3.240  -7.454   2.097
   55    HD2  TYR   6           2HD      TYR   6  -4.141  -3.294   2.058
   56    HE1  TYR   6           1HE      TYR   6  -5.354  -7.905   3.266
   57    HE2  TYR   6           2HE      TYR   6  -6.257  -3.738   3.226
   58    HH   TYR   6           HH       TYR   6  -6.944  -6.608   4.765
   59    H    TRP   7           H        TRP   7  -0.489  -1.550   0.875
   60    HA   TRP   7           HA       TRP   7   1.213  -2.160  -1.257
   61   1HB   TRP   7          2HB       TRP   7   2.646  -0.348  -0.398
   62   2HB   TRP   7          1HB       TRP   7   0.947   0.115  -0.411
   63    HD1  TRP   7           HD       TRP   7   3.290  -1.530   2.230
   64    HE1  TRP   7           1HE      TRP   7   2.854  -0.375   4.488
   65    HE3  TRP   7           3HE      TRP   7  -0.321   1.779   0.766
   66    HZ2  TRP   7           2HZ      TRP   7   1.198   1.669   5.513
   67    HZ3  TRP   7           3HZ      TRP   7  -1.280   3.299   2.446
   68    HH2  TRP   7           HH       TRP   7  -0.535   3.244   4.771
   69    H    TRP   8           H        TRP   8   3.581  -2.487  -1.132
   70    HA   TRP   8           HA       TRP   8   4.332  -4.255   1.100
   71   1HB   TRP   8          2HB       TRP   8   3.856  -5.564  -0.926
   72   2HB   TRP   8          1HB       TRP   8   5.007  -4.598  -1.830
   73    HD1  TRP   8           HD       TRP   8   5.841  -7.308  -2.210
   74    HE1  TRP   8           1HE      TRP   8   7.724  -8.532  -0.964
   75    HE3  TRP   8           3HE      TRP   8   6.074  -4.413   2.024
   76    HZ2  TRP   8           2HZ      TRP   8   9.106  -8.327   1.474
   77    HZ3  TRP   8           3HZ      TRP   8   7.699  -5.016   3.760
   78    HH2  TRP   8           HH       TRP   8   9.180  -6.934   3.495
   79    H    ARG   9           H        ARG   9   6.452  -3.544  -1.568
   80    HA   ARG   9           HA       ARG   9   8.496  -2.565   0.088
   81   1HB   ARG   9          2HB       ARG   9   8.158  -2.254  -2.900
   82   2HB   ARG   9          1HB       ARG   9   9.642  -1.952  -2.010
   83   1HG   ARG   9          2HG       ARG   9   8.228  -4.600  -2.239
   84   2HG   ARG   9          1HG       ARG   9   9.689  -4.122  -3.103
   85   1HD   ARG   9          2HD       ARG   9  10.867  -3.877  -0.972
   86   2HD   ARG   9          1HD       ARG   9   9.407  -4.355  -0.109
   87    HE   ARG   9           HE       ARG   9  10.039  -6.362  -1.952
   88   1HH1  ARG   9          1HH1      ARG   9  11.313  -4.962   0.979
   89   2HH1  ARG   9          2HH1      ARG   9  12.091  -6.424   1.487
   90   1HH2  ARG   9          1HH2      ARG   9  11.062  -8.285  -1.286
   91   2HH2  ARG   9          2HH2      ARG   9  11.949  -8.310   0.201
   92    HA   PRO  10           HA       PRO  10   7.284   1.833  -1.409
   93   1HB   PRO  10          2HB       PRO  10   4.946   2.221  -2.671
   94   2HB   PRO  10          1HB       PRO  10   6.396   1.704  -3.541
   95   1HG   PRO  10          2HG       PRO  10   4.071   0.073  -2.594
   96   2HG   PRO  10          1HG       PRO  10   4.933   0.000  -4.142
   97   1HD   PRO  10          2HD       PRO  10   5.381  -1.730  -2.074
   98   2HD   PRO  10          1HD       PRO  10   6.604  -1.312  -3.288
   99    H    SER  11           H        SER  11   7.059   1.884   0.902
  100    HA   SER  11           HA       SER  11   4.488   1.560   2.127
  101   1HB   SER  11          2HB       SER  11   7.040   2.769   3.215
  102   2HB   SER  11          1HB       SER  11   5.611   2.379   4.171
  103    HG   SER  11           HG       SER  11   6.618   0.533   4.381
  104    H    ILE  12           H        ILE  12   6.093   4.119   0.523
  105    HA   ILE  12           HA       ILE  12   5.512   6.273   0.077
  106    HB   ILE  12           HB       ILE  12   2.847   5.456   1.251
  107   1HG1  ILE  12          2HG1      ILE  12   3.483   4.122  -0.702
  108   2HG1  ILE  12          1HG1      ILE  12   2.158   5.211  -1.101
  109   1HG2  ILE  12          1HG2      ILE  12   2.227   7.432  -0.441
  110   2HG2  ILE  12          2HG2      ILE  12   3.827   7.979   0.057
  111   3HG2  ILE  12          3HG2      ILE  12   2.574   7.706   1.266
  112   1HD1  ILE  12          1HD1      ILE  12   3.838   6.763  -2.088
  113   2HD1  ILE  12          2HD1      ILE  12   3.694   5.212  -2.913
  114   3HD1  ILE  12          3HD1      ILE  12   5.055   5.514  -1.834
  Start of MODEL   11
    1   1H    HIS   1          1HT       HIS   1  -3.206   6.078   3.084
    2   2H    HIS   1          2HT       HIS   1  -3.200   4.468   3.678
    3   3H    HIS   1          3HT       HIS   1  -3.164   5.788   4.772
    4    HA   HIS   1           HA       HIS   1  -5.304   5.400   4.929
    5   1HB   HIS   1          2HB       HIS   1  -5.173   6.845   2.273
    6   2HB   HIS   1          1HB       HIS   1  -6.585   6.774   3.319
    7    HD1  HIS   1           1HD      HIS   1  -5.814   7.636   5.947
    8    HD2  HIS   1           2HD      HIS   1  -3.890   9.186   2.606
    9    HE1  HIS   1           1HE      HIS   1  -4.788   9.803   6.707
   10    HE2  HIS   1           2HE      HIS   1  -3.560  10.682   4.689
   11    HA   PRO   2           HA       PRO   2  -6.718   2.805   1.165
   12   1HB   PRO   2          2HB       PRO   2  -5.046   2.324  -0.872
   13   2HB   PRO   2          1HB       PRO   2  -5.972   3.826  -0.773
   14   1HG   PRO   2          2HG       PRO   2  -3.106   3.317  -0.088
   15   2HG   PRO   2          1HG       PRO   2  -3.827   4.699  -0.933
   16   1HD   PRO   2          2HD       PRO   2  -3.141   4.695   1.728
   17   2HD   PRO   2          1HD       PRO   2  -4.374   5.751   1.017
   18    H    LEU   3           H        LEU   3  -6.368   1.360   3.019
   19    HA   LEU   3           HA       LEU   3  -4.047  -0.332   3.021
   20   1HB   LEU   3          2HB       LEU   3  -5.139  -1.479   4.889
   21   2HB   LEU   3          1HB       LEU   3  -5.054   0.255   5.124
   22    HG   LEU   3           HG       LEU   3  -7.423   0.449   4.489
   23   1HD1  LEU   3          1HD1      LEU   3  -7.108  -2.459   3.997
   24   2HD1  LEU   3          2HD1      LEU   3  -8.054  -1.255   3.121
   25   3HD1  LEU   3          3HD1      LEU   3  -8.640  -1.888   4.658
   26   1HD2  LEU   3          1HD2      LEU   3  -6.685  -1.381   6.752
   27   2HD2  LEU   3          2HD2      LEU   3  -8.330  -0.793   6.507
   28   3HD2  LEU   3          3HD2      LEU   3  -7.020   0.350   6.802
   29    H    LYS   4           H        LYS   4  -6.882  -0.311   1.237
   30    HA   LYS   4           HA       LYS   4  -7.265  -3.151   1.055
   31   1HB   LYS   4          2HB       LYS   4  -9.146  -1.625   0.735
   32   2HB   LYS   4          1HB       LYS   4  -8.341  -0.900  -0.650
   33   1HG   LYS   4          2HG       LYS   4  -8.478  -3.026  -1.846
   34   2HG   LYS   4          1HG       LYS   4  -9.285  -3.755  -0.456
   35   1HD   LYS   4          2HD       LYS   4 -11.126  -2.158  -0.690
   36   2HD   LYS   4          1HD       LYS   4 -10.318  -1.429  -2.079
   37   1HE   LYS   4          2HE       LYS   4 -10.468  -3.557  -3.278
   38   2HE   LYS   4          1HE       LYS   4 -11.274  -4.284  -1.889
   39   1HZ   LYS   4          1HZ       LYS   4 -12.463  -1.855  -2.973
   40   2HZ   LYS   4          2HZ       LYS   4 -13.208  -3.241  -2.350
   41   3HZ   LYS   4          3HZ       LYS   4 -12.592  -3.248  -3.925
   42    H    GLN   5           H        GLN   5  -5.195  -0.873  -0.424
   43    HA   GLN   5           HA       GLN   5  -4.803  -2.290  -2.884
   44   1HB   GLN   5          2HB       GLN   5  -4.415   0.119  -2.754
   45   2HB   GLN   5          1HB       GLN   5  -3.143  -0.136  -1.567
   46   1HG   GLN   5          2HG       GLN   5  -1.827  -1.342  -3.232
   47   2HG   GLN   5          1HG       GLN   5  -3.102  -1.088  -4.422
   48   1HE2  GLN   5          1HE2      GLN   5  -0.188  -0.020  -3.461
   49   2HE2  GLN   5          2HE2      GLN   5  -0.257   1.611  -4.024
   50    H    TYR   6           H        TYR   6  -3.608  -2.597   0.309
   51    HA   TYR   6           HA       TYR   6  -2.116  -4.013   1.277
   52   1HB   TYR   6          2HB       TYR   6  -2.232  -5.411  -1.404
   53   2HB   TYR   6          1HB       TYR   6  -1.527  -6.084   0.059
   54    HD1  TYR   6           1HD      TYR   6  -3.315  -7.850  -0.961
   55    HD2  TYR   6           2HD      TYR   6  -4.283  -4.291   1.164
   56    HE1  TYR   6           1HE      TYR   6  -5.494  -8.810  -0.351
   57    HE2  TYR   6           2HE      TYR   6  -6.463  -5.244   1.777
   58    HH   TYR   6           HH       TYR   6  -7.443  -7.580   2.043
   59    H    TRP   7           H        TRP   7  -0.705  -2.073   1.156
   60    HA   TRP   7           HA       TRP   7   1.311  -1.934  -0.867
   61   1HB   TRP   7          2HB       TRP   7   2.311  -0.190   0.559
   62   2HB   TRP   7          1HB       TRP   7   0.589   0.080   0.308
   63    HD1  TRP   7           HD       TRP   7   2.674  -1.803   3.006
   64    HE1  TRP   7           1HE      TRP   7   1.710  -1.183   5.311
   65    HE3  TRP   7           3HE      TRP   7  -1.081   1.322   1.501
   66    HZ2  TRP   7           2HZ      TRP   7  -0.368   0.419   6.352
   67    HZ3  TRP   7           3HZ      TRP   7  -2.512   2.358   3.214
   68    HH2  TRP   7           HH       TRP   7  -2.161   1.915   5.589
   69    H    TRP   8           H        TRP   8   3.665  -1.974  -0.300
   70    HA   TRP   8           HA       TRP   8   4.492  -3.623   1.903
   71   1HB   TRP   8          2HB       TRP   8   3.674  -5.330   0.337
   72   2HB   TRP   8          1HB       TRP   8   4.719  -4.690  -0.920
   73    HD1  TRP   8           HD       TRP   8   5.378  -7.470  -0.735
   74    HE1  TRP   8           1HE      TRP   8   7.374  -8.501   0.508
   75    HE3  TRP   8           3HE      TRP   8   6.350  -3.684   2.595
   76    HZ2  TRP   8           2HZ      TRP   8   9.109  -7.831   2.615
   77    HZ3  TRP   8           3HZ      TRP   8   8.188  -3.978   4.190
   78    HH2  TRP   8           HH       TRP   8   9.537  -6.011   4.205
   79    H    ARG   9           H        ARG   9   6.283  -3.774  -1.067
   80    HA   ARG   9           HA       ARG   9   8.572  -2.606   0.005
   81   1HB   ARG   9          2HB       ARG   9   7.796  -2.879  -2.903
   82   2HB   ARG   9          1HB       ARG   9   9.414  -2.529  -2.312
   83   1HG   ARG   9          2HG       ARG   9   7.844  -5.040  -1.773
   84   2HG   ARG   9          1HG       ARG   9   9.178  -4.871  -2.916
   85   1HD   ARG   9          2HD       ARG   9  10.681  -4.300  -1.071
   86   2HD   ARG   9          1HD       ARG   9   9.346  -4.469   0.070
   87    HE   ARG   9           HE       ARG   9   9.580  -6.853  -1.375
   88   1HH1  ARG   9          1HH1      ARG   9  11.364  -5.001   0.985
   89   2HH1  ARG   9          2HH1      ARG   9  12.131  -6.390   1.679
   90   1HH2  ARG   9          1HH2      ARG   9  10.589  -8.680  -0.463
   91   2HH2  ARG   9          2HH2      ARG   9  11.692  -8.478   0.856
   92    HA   PRO  10           HA       PRO  10   7.341   1.499  -2.077
   93   1HB   PRO  10          2HB       PRO  10   4.980   1.793  -3.285
   94   2HB   PRO  10          1HB       PRO  10   6.314   0.958  -4.089
   95   1HG   PRO  10          2HG       PRO  10   3.909  -0.175  -2.734
   96   2HG   PRO  10          1HG       PRO  10   4.717  -0.710  -4.217
   97   1HD   PRO  10          2HD       PRO  10   5.061  -1.832  -1.693
   98   2HD   PRO  10          1HD       PRO  10   6.164  -2.032  -3.065
   99    H    SER  11           H        SER  11   5.256   3.183  -1.934
  100    HA   SER  11           HA       SER  11   3.561   2.767   0.322
  101   1HB   SER  11          2HB       SER  11   5.904   4.655   0.666
  102   2HB   SER  11          1HB       SER  11   4.550   4.498   1.784
  103    HG   SER  11           HG       SER  11   5.209   2.189   1.861
  104    H    ILE  12           H        ILE  12   3.386   3.633  -2.443
  105    HA   ILE  12           HA       ILE  12   2.249   5.146  -3.707
  106    HB   ILE  12           HB       ILE  12   1.292   6.162  -1.025
  107   1HG1  ILE  12          2HG1      ILE  12   0.721   3.815  -1.417
  108   2HG1  ILE  12          1HG1      ILE  12  -0.720   4.824  -1.504
  109   1HG2  ILE  12          1HG2      ILE  12   0.672   7.906  -2.348
  110   2HG2  ILE  12          2HG2      ILE  12  -0.688   6.830  -2.669
  111   3HG2  ILE  12          3HG2      ILE  12   0.647   6.928  -3.816
  112   1HD1  ILE  12          1HD1      ILE  12  -1.034   3.473  -3.312
  113   2HD1  ILE  12          2HD1      ILE  12   0.692   3.339  -3.653
  114   3HD1  ILE  12          3HD1      ILE  12  -0.177   4.816  -4.069
  Start of MODEL   12
    1   1H    HIS   1          1HT       HIS   1  -4.805   7.597   0.836
    2   2H    HIS   1          2HT       HIS   1  -3.777   6.924  -0.362
    3   3H    HIS   1          3HT       HIS   1  -3.166   8.091   0.738
    4    HA   HIS   1           HA       HIS   1  -2.380   6.090   1.500
    5   1HB   HIS   1          2HB       HIS   1  -4.922   6.787   2.992
    6   2HB   HIS   1          1HB       HIS   1  -3.586   5.846   3.647
    7    HD1  HIS   1           1HD      HIS   1  -1.162   7.349   3.308
    8    HD2  HIS   1           2HD      HIS   1  -4.773   9.329   3.861
    9    HE1  HIS   1           1HE      HIS   1  -0.551   9.647   4.130
   10    HE2  HIS   1           2HE      HIS   1  -2.754  10.796   4.541
   11    HA   PRO   2           HA       PRO   2  -4.877   2.942  -0.791
   12   1HB   PRO   2          2HB       PRO   2  -2.303   1.536  -0.257
   13   2HB   PRO   2          1HB       PRO   2  -3.259   1.607  -1.741
   14   1HG   PRO   2          2HG       PRO   2  -1.026   3.034  -1.501
   15   2HG   PRO   2          1HG       PRO   2  -2.451   3.702  -2.320
   16   1HD   PRO   2          2HD       PRO   2  -1.378   4.288   0.402
   17   2HD   PRO   2          1HD       PRO   2  -2.168   5.374  -0.759
   18    H    LEU   3           H        LEU   3  -6.272   1.716   0.295
   19    HA   LEU   3           HA       LEU   3  -5.354   0.374   2.744
   20   1HB   LEU   3          2HB       LEU   3  -7.579   0.708   3.711
   21   2HB   LEU   3          1HB       LEU   3  -6.760   2.220   3.378
   22    HG   LEU   3           HG       LEU   3  -8.124   2.505   1.351
   23   1HD1  LEU   3          1HD1      LEU   3  -8.765   0.449   0.566
   24   2HD1  LEU   3          2HD1      LEU   3 -10.246   0.983   1.359
   25   3HD1  LEU   3          3HD1      LEU   3  -9.174  -0.159   2.170
   26   1HD2  LEU   3          1HD2      LEU   3  -9.117   3.709   2.990
   27   2HD2  LEU   3          2HD2      LEU   3  -9.262   2.325   4.073
   28   3HD2  LEU   3          3HD2      LEU   3 -10.402   2.526   2.743
   29    H    LYS   4           H        LYS   4  -6.280  -0.180  -0.323
   30    HA   LYS   4           HA       LYS   4  -7.711  -2.659   0.359
   31   1HB   LYS   4          2HB       LYS   4  -9.019  -1.153  -1.052
   32   2HB   LYS   4          1HB       LYS   4  -7.714  -1.097  -2.228
   33   1HG   LYS   4          2HG       LYS   4  -8.001  -3.483  -2.667
   34   2HG   LYS   4          1HG       LYS   4  -9.311  -3.540  -1.484
   35   1HD   LYS   4          2HD       LYS   4 -10.588  -1.938  -2.825
   36   2HD   LYS   4          1HD       LYS   4  -9.277  -1.879  -4.005
   37   1HE   LYS   4          2HE       LYS   4  -9.579  -4.266  -4.454
   38   2HE   LYS   4          1HE       LYS   4 -10.887  -4.323  -3.273
   39   1HZ   LYS   4          1HZ       LYS   4 -11.096  -2.367  -5.436
   40   2HZ   LYS   4          2HZ       LYS   4 -12.310  -3.252  -4.659
   41   3HZ   LYS   4          3HZ       LYS   4 -11.342  -3.993  -5.830
   42    H    GLN   5           H        GLN   5  -4.835  -1.362  -0.947
   43    HA   GLN   5           HA       GLN   5  -4.124  -3.883  -2.249
   44   1HB   GLN   5          2HB       GLN   5  -3.719  -1.840  -3.528
   45   2HB   GLN   5          1HB       GLN   5  -2.713  -1.210  -2.231
   46   1HG   GLN   5          2HG       GLN   5  -1.117  -3.024  -2.583
   47   2HG   GLN   5          1HG       GLN   5  -2.126  -3.657  -3.884
   48   1HE2  GLN   5          1HE2      GLN   5   0.559  -1.930  -3.275
   49   2HE2  GLN   5          2HE2      GLN   5   0.635  -0.965  -4.706
   50    H    TYR   6           H        TYR   6  -3.577  -2.101   0.625
   51    HA   TYR   6           HA       TYR   6  -2.342  -2.504   2.488
   52   1HB   TYR   6          2HB       TYR   6  -1.963  -5.228   1.230
   53   2HB   TYR   6          1HB       TYR   6  -1.573  -4.818   2.895
   54    HD1  TYR   6           1HD      TYR   6  -3.167  -7.011   2.867
   55    HD2  TYR   6           2HD      TYR   6  -4.451  -3.008   2.201
   56    HE1  TYR   6           1HE      TYR   6  -5.444  -7.632   3.551
   57    HE2  TYR   6           2HE      TYR   6  -6.730  -3.621   2.882
   58    HH   TYR   6           HH       TYR   6  -8.107  -5.853   2.911
   59    H    TRP   7           H        TRP   7  -1.097  -1.689  -0.197
   60    HA   TRP   7           HA       TRP   7   0.956  -1.356  -1.146
   61   1HB   TRP   7          2HB       TRP   7   2.571  -0.330   0.404
   62   2HB   TRP   7          1HB       TRP   7   0.942   0.279   0.661
   63    HD1  TRP   7           HD       TRP   7   3.024  -2.640   2.187
   64    HE1  TRP   7           1HE      TRP   7   2.672  -2.598   4.736
   65    HE3  TRP   7           3HE      TRP   7  -0.165   1.345   2.501
   66    HZ2  TRP   7           2HZ      TRP   7   1.232  -1.076   6.629
   67    HZ3  TRP   7           3HZ      TRP   7  -0.984   2.028   4.718
   68    HH2  TRP   7           HH       TRP   7  -0.299   0.841   6.738
   69    H    TRP   8           H        TRP   8   3.554  -1.753  -0.303
   70    HA   TRP   8           HA       TRP   8   4.056  -4.363   0.675
   71   1HB   TRP   8          2HB       TRP   8   3.082  -5.003  -1.489
   72   2HB   TRP   8          1HB       TRP   8   4.246  -3.990  -2.324
   73    HD1  TRP   8           HD       TRP   8   4.530  -6.590  -3.490
   74    HE1  TRP   8           1HE      TRP   8   6.329  -8.337  -2.938
   75    HE3  TRP   8           3HE      TRP   8   5.867  -4.978   1.199
   76    HZ2  TRP   8           2HZ      TRP   8   8.060  -8.970  -0.818
   77    HZ3  TRP   8           3HZ      TRP   8   7.594  -6.228   2.411
   78    HH2  TRP   8           HH       TRP   8   8.665  -8.185   1.428
   79    H    ARG   9           H        ARG   9   5.940  -3.363  -2.060
   80    HA   ARG   9           HA       ARG   9   8.270  -3.033  -0.503
   81   1HB   ARG   9          2HB       ARG   9   7.745  -2.192  -3.361
   82   2HB   ARG   9          1HB       ARG   9   9.326  -2.274  -2.599
   83   1HG   ARG   9          2HG       ARG   9   7.471  -4.599  -3.063
   84   2HG   ARG   9          1HG       ARG   9   8.916  -4.215  -4.002
   85   1HD   ARG   9          2HD       ARG   9  10.290  -4.507  -1.997
   86   2HD   ARG   9          1HD       ARG   9   8.846  -4.891  -1.062
   87    HE   ARG   9           HE       ARG   9   8.979  -6.639  -3.243
   88   1HH1  ARG   9          1HH1      ARG   9  10.698  -5.958  -0.283
   89   2HH1  ARG   9          2HH1      ARG   9  11.262  -7.583  -0.089
   90   1HH2  ARG   9          1HH2      ARG   9   9.718  -8.778  -2.989
   91   2HH2  ARG   9          2HH2      ARG   9  10.706  -9.185  -1.626
   92    HA   PRO  10           HA       PRO  10   7.592   1.702  -1.333
   93   1HB   PRO  10          2HB       PRO  10   4.697   1.961  -1.701
   94   2HB   PRO  10          1HB       PRO  10   6.011   2.591  -2.698
   95   1HG   PRO  10          2HG       PRO  10   4.409   0.586  -3.530
   96   2HG   PRO  10          1HG       PRO  10   6.117   0.692  -3.994
   97   1HD   PRO  10          2HD       PRO  10   4.827  -1.007  -1.888
   98   2HD   PRO  10          1HD       PRO  10   6.091  -1.434  -3.060
   99    H    SER  11           H        SER  11   5.685   3.364  -0.268
  100    HA   SER  11           HA       SER  11   4.546   2.331   2.138
  101   1HB   SER  11          2HB       SER  11   7.022   4.057   2.385
  102   2HB   SER  11          1HB       SER  11   5.967   3.593   3.719
  103    HG   SER  11           HG       SER  11   6.475   1.370   3.101
  104    H    ILE  12           H        ILE  12   3.776   3.924  -0.161
  105    HA   ILE  12           HA       ILE  12   3.521   6.657   0.587
  106    HB   ILE  12           HB       ILE  12   1.935   5.054  -1.426
  107   1HG1  ILE  12          2HG1      ILE  12   4.330   5.111  -1.926
  108   2HG1  ILE  12          1HG1      ILE  12   3.434   6.095  -3.080
  109   1HG2  ILE  12          1HG2      ILE  12   1.428   7.284  -2.415
  110   2HG2  ILE  12          2HG2      ILE  12   2.127   8.029  -0.977
  111   3HG2  ILE  12          3HG2      ILE  12   0.689   7.016  -0.835
  112   1HD1  ILE  12          1HD1      ILE  12   5.541   6.841  -1.251
  113   2HD1  ILE  12          2HD1      ILE  12   4.120   7.871  -1.076
  114   3HD1  ILE  12          3HD1      ILE  12   4.897   7.702  -2.650
  Start of MODEL   13
    1   1H    HIS   1          1HT       HIS   1  -5.448   6.255   1.601
    2   2H    HIS   1          2HT       HIS   1  -4.342   6.986   2.690
    3   3H    HIS   1          3HT       HIS   1  -6.002   6.859   3.106
    4    HA   HIS   1           HA       HIS   1  -3.970   4.758   2.927
    5   1HB   HIS   1          2HB       HIS   1  -5.957   5.624   5.041
    6   2HB   HIS   1          1HB       HIS   1  -4.805   4.304   5.211
    7    HD1  HIS   1           1HD      HIS   1  -2.180   5.307   4.610
    8    HD2  HIS   1           2HD      HIS   1  -5.033   7.822   6.284
    9    HE1  HIS   1           1HE      HIS   1  -0.883   7.186   5.665
   10    HE2  HIS   1           2HE      HIS   1  -2.626   8.645   6.753
   11    HA   PRO   2           HA       PRO   2  -7.827   2.877   1.121
   12   1HB   PRO   2          2HB       PRO   2  -6.581   1.499  -0.846
   13   2HB   PRO   2          1HB       PRO   2  -7.063   3.190  -1.029
   14   1HG   PRO   2          2HG       PRO   2  -4.375   2.049  -0.367
   15   2HG   PRO   2          1HG       PRO   2  -4.787   3.361  -1.485
   16   1HD   PRO   2          2HD       PRO   2  -3.836   3.809   1.015
   17   2HD   PRO   2          1HD       PRO   2  -4.961   4.915   0.204
   18    H    LEU   3           H        LEU   3  -8.598   0.990   1.869
   19    HA   LEU   3           HA       LEU   3  -6.750  -0.832   3.173
   20   1HB   LEU   3          2HB       LEU   3  -8.753  -1.873   4.121
   21   2HB   LEU   3          1HB       LEU   3  -8.686  -0.150   4.434
   22    HG   LEU   3           HG       LEU   3 -10.318   0.232   2.633
   23   1HD1  LEU   3          1HD1      LEU   3 -10.184  -1.435   1.079
   24   2HD1  LEU   3          2HD1      LEU   3 -11.589  -1.978   1.997
   25   3HD1  LEU   3          3HD1      LEU   3 -10.009  -2.704   2.291
   26   1HD2  LEU   3          1HD2      LEU   3 -10.802  -0.547   5.155
   27   2HD2  LEU   3          2HD2      LEU   3 -11.666  -1.811   4.279
   28   3HD2  LEU   3          3HD2      LEU   3 -12.072  -0.115   4.011
   29    H    LYS   4           H        LYS   4  -7.775  -0.553   0.109
   30    HA   LYS   4           HA       LYS   4  -8.356  -3.365  -0.357
   31   1HB   LYS   4          2HB       LYS   4  -9.659  -1.695  -1.577
   32   2HB   LYS   4          1HB       LYS   4  -8.186  -1.033  -2.273
   33   1HG   LYS   4          2HG       LYS   4  -7.790  -3.139  -3.445
   34   2HG   LYS   4          1HG       LYS   4  -9.265  -3.806  -2.743
   35   1HD   LYS   4          2HD       LYS   4 -10.580  -2.072  -3.866
   36   2HD   LYS   4          1HD       LYS   4  -9.103  -1.405  -4.565
   37   1HE   LYS   4          2HE       LYS   4  -8.715  -3.512  -5.747
   38   2HE   LYS   4          1HE       LYS   4 -10.188  -4.178  -5.045
   39   1HZ   LYS   4          1HZ       LYS   4 -10.461  -3.334  -7.338
   40   2HZ   LYS   4          2HZ       LYS   4 -10.114  -1.774  -6.784
   41   3HZ   LYS   4          3HZ       LYS   4 -11.490  -2.581  -6.226
   42    H    GLN   5           H        GLN   5  -5.666  -1.280  -0.309
   43    HA   GLN   5           HA       GLN   5  -3.991  -3.404  -1.404
   44   1HB   GLN   5          2HB       GLN   5  -4.399  -1.903  -3.291
   45   2HB   GLN   5          1HB       GLN   5  -3.869  -0.528  -2.332
   46   1HG   GLN   5          2HG       GLN   5  -1.629  -1.484  -2.195
   47   2HG   GLN   5          1HG       GLN   5  -2.159  -2.866  -3.154
   48   1HE2  GLN   5          1HE2      GLN   5  -0.530  -0.060  -3.309
   49   2HE2  GLN   5          2HE2      GLN   5  -0.759   0.338  -4.974
   50    H    TYR   6           H        TYR   6  -2.812  -3.875   0.347
   51    HA   TYR   6           HA       TYR   6  -1.932  -1.790   2.160
   52   1HB   TYR   6          2HB       TYR   6  -1.467  -4.778   2.216
   53   2HB   TYR   6          1HB       TYR   6  -0.999  -3.658   3.488
   54    HD1  TYR   6           1HD      TYR   6  -2.457  -5.679   4.556
   55    HD2  TYR   6           2HD      TYR   6  -4.021  -2.413   2.316
   56    HE1  TYR   6           1HE      TYR   6  -4.639  -5.981   5.645
   57    HE2  TYR   6           2HE      TYR   6  -6.201  -2.712   3.400
   58    HH   TYR   6           HH       TYR   6  -6.855  -3.920   5.930
   59    H    TRP   7           H        TRP   7  -0.843  -2.513  -0.727
   60    HA   TRP   7           HA       TRP   7   1.154  -2.601  -1.826
   61   1HB   TRP   7          2HB       TRP   7   2.715  -0.814  -1.173
   62   2HB   TRP   7          1HB       TRP   7   1.050  -0.251  -1.184
   63    HD1  TRP   7           HD       TRP   7   3.395  -1.761   1.537
   64    HE1  TRP   7           1HE      TRP   7   3.103  -0.364   3.680
   65    HE3  TRP   7           3HE      TRP   7  -0.095   1.581  -0.137
   66    HZ2  TRP   7           2HZ      TRP   7   1.594   1.858   4.546
   67    HZ3  TRP   7           3HZ      TRP   7  -0.911   3.310   1.412
   68    HH2  TRP   7           HH       TRP   7  -0.083   3.444   3.705
   69    H    TRP   8           H        TRP   8   3.774  -2.395  -1.151
   70    HA   TRP   8           HA       TRP   8   4.314  -4.349   0.947
   71   1HB   TRP   8          2HB       TRP   8   3.984  -5.670  -1.100
   72   2HB   TRP   8          1HB       TRP   8   5.187  -4.701  -1.930
   73    HD1  TRP   8           HD       TRP   8   6.059  -7.408  -2.239
   74    HE1  TRP   8           1HE      TRP   8   7.863  -8.613  -0.863
   75    HE3  TRP   8           3HE      TRP   8   5.993  -4.490   1.986
   76    HZ2  TRP   8           2HZ      TRP   8   9.078  -8.387   1.662
   77    HZ3  TRP   8           3HZ      TRP   8   7.501  -5.073   3.829
   78    HH2  TRP   8           HH       TRP   8   9.009  -6.985   3.674
   79    H    ARG   9           H        ARG   9   6.626  -3.667  -1.559
   80    HA   ARG   9           HA       ARG   9   8.531  -2.649   0.233
   81   1HB   ARG   9          2HB       ARG   9   8.429  -2.401  -2.778
   82   2HB   ARG   9          1HB       ARG   9   9.838  -2.077  -1.780
   83   1HG   ARG   9          2HG       ARG   9   8.447  -4.733  -2.062
   84   2HG   ARG   9          1HG       ARG   9   9.971  -4.270  -2.820
   85   1HD   ARG   9          2HD       ARG   9  10.979  -3.980  -0.608
   86   2HD   ARG   9          1HD       ARG   9   9.455  -4.441   0.148
   87    HE   ARG   9           HE       ARG   9  10.228  -6.485  -1.597
   88   1HH1  ARG   9          1HH1      ARG   9  11.277  -5.021   1.392
   89   2HH1  ARG   9          2HH1      ARG   9  12.010  -6.471   1.991
   90   1HH2  ARG   9          1HH2      ARG   9  11.191  -8.394  -0.811
   91   2HH2  ARG   9          2HH2      ARG   9  11.961  -8.387   0.740
   92    HA   PRO  10           HA       PRO  10   7.465   1.719  -1.493
   93   1HB   PRO  10          2HB       PRO  10   5.158   2.059  -2.850
   94   2HB   PRO  10          1HB       PRO  10   6.658   1.569  -3.648
   95   1HG   PRO  10          2HG       PRO  10   4.336  -0.111  -2.783
   96   2HG   PRO  10          1HG       PRO  10   5.259  -0.174  -4.296
   97   1HD   PRO  10          2HD       PRO  10   5.673  -1.893  -2.232
   98   2HD   PRO  10          1HD       PRO  10   6.955  -1.403  -3.355
   99    H    SER  11           H        SER  11   7.148   1.788   0.817
  100    HA   SER  11           HA       SER  11   4.435   1.653   1.829
  101   1HB   SER  11          2HB       SER  11   7.030   2.345   3.225
  102   2HB   SER  11          1HB       SER  11   5.474   2.123   4.022
  103    HG   SER  11           HG       SER  11   7.150   0.274   3.710
  104    H    ILE  12           H        ILE  12   6.555   4.027   0.581
  105    HA   ILE  12           HA       ILE  12   6.355   6.271   0.274
  106    HB   ILE  12           HB       ILE  12   3.509   5.823   1.193
  107   1HG1  ILE  12          2HG1      ILE  12   4.078   4.544  -0.816
  108   2HG1  ILE  12          1HG1      ILE  12   2.979   5.862  -1.212
  109   1HG2  ILE  12          1HG2      ILE  12   4.191   8.162   1.423
  110   2HG2  ILE  12          2HG2      ILE  12   3.010   7.960   0.128
  111   3HG2  ILE  12          3HG2      ILE  12   4.717   8.174  -0.262
  112   1HD1  ILE  12          1HD1      ILE  12   5.505   5.265  -2.333
  113   2HD1  ILE  12          2HD1      ILE  12   5.627   6.818  -1.507
  114   3HD1  ILE  12          3HD1      ILE  12   4.396   6.573  -2.745
  Start of MODEL   14
    1   1H    HIS   1          1HT       HIS   1  -4.356   3.402   8.009
    2   2H    HIS   1          2HT       HIS   1  -5.410   4.458   7.160
    3   3H    HIS   1          3HT       HIS   1  -3.962   5.063   7.855
    4    HA   HIS   1           HA       HIS   1  -3.478   4.891   5.647
    5   1HB   HIS   1          2HB       HIS   1  -2.599   2.331   7.003
    6   2HB   HIS   1          1HB       HIS   1  -1.848   3.031   5.573
    7    HD1  HIS   1           1HD      HIS   1  -1.171   5.765   6.150
    8    HD2  HIS   1           2HD      HIS   1  -1.151   2.930   9.189
    9    HE1  HIS   1           1HE      HIS   1   0.301   6.719   7.951
   10    HE2  HIS   1           2HE      HIS   1   0.230   5.026   9.815
   11    HA   PRO   2           HA       PRO   2  -6.053   2.485   2.992
   12   1HB   PRO   2          2HB       PRO   2  -4.448   2.105   0.839
   13   2HB   PRO   2          1HB       PRO   2  -5.173   3.669   1.229
   14   1HG   PRO   2          2HG       PRO   2  -2.402   2.676   1.776
   15   2HG   PRO   2          1HG       PRO   2  -2.924   4.263   1.183
   16   1HD   PRO   2          2HD       PRO   2  -2.256   3.818   3.771
   17   2HD   PRO   2          1HD       PRO   2  -3.483   5.007   3.292
   18    H    LEU   3           H        LEU   3  -6.416   0.512   3.918
   19    HA   LEU   3           HA       LEU   3  -4.363  -1.551   3.638
   20   1HB   LEU   3          2HB       LEU   3  -5.697  -2.842   5.241
   21   2HB   LEU   3          1HB       LEU   3  -5.211  -1.281   5.870
   22    HG   LEU   3           HG       LEU   3  -7.471  -0.410   5.431
   23   1HD1  LEU   3          1HD1      LEU   3  -8.370  -1.617   3.674
   24   2HD1  LEU   3          2HD1      LEU   3  -9.247  -2.245   5.068
   25   3HD1  LEU   3          3HD1      LEU   3  -7.916  -3.170   4.375
   26   1HD2  LEU   3          1HD2      LEU   3  -7.703  -2.931   7.038
   27   2HD2  LEU   3          2HD2      LEU   3  -8.476  -1.370   7.313
   28   3HD2  LEU   3          3HD2      LEU   3  -6.745  -1.557   7.587
   29    H    LYS   4           H        LYS   4  -6.353  -0.487   1.544
   30    HA   LYS   4           HA       LYS   4  -7.634  -3.041   0.865
   31   1HB   LYS   4          2HB       LYS   4  -9.145  -1.124   0.996
   32   2HB   LYS   4          1HB       LYS   4  -8.167  -0.253  -0.175
   33   1HG   LYS   4          2HG       LYS   4  -8.711  -1.923  -1.875
   34   2HG   LYS   4          1HG       LYS   4  -9.695  -2.796  -0.697
   35   1HD   LYS   4          2HD       LYS   4 -11.149  -0.840  -0.462
   36   2HD   LYS   4          1HD       LYS   4 -10.164   0.033  -1.638
   37   1HE   LYS   4          2HE       LYS   4 -10.727  -1.632  -3.342
   38   2HE   LYS   4          1HE       LYS   4 -11.709  -2.503  -2.166
   39   1HZ   LYS   4          1HZ       LYS   4 -12.815  -0.121  -1.975
   40   2HZ   LYS   4          2HZ       LYS   4 -13.319  -1.258  -3.122
   41   3HZ   LYS   4          3HZ       LYS   4 -12.269  -0.011  -3.573
   42    H    GLN   5           H        GLN   5  -5.061  -0.981  -0.002
   43    HA   GLN   5           HA       GLN   5  -4.901  -1.984  -2.729
   44   1HB   GLN   5          2HB       GLN   5  -4.424   0.380  -2.345
   45   2HB   GLN   5          1HB       GLN   5  -3.138  -0.045  -1.225
   46   1HG   GLN   5          2HG       GLN   5  -1.899  -1.098  -3.046
   47   2HG   GLN   5          1HG       GLN   5  -3.190  -0.672  -4.169
   48   1HE2  GLN   5          1HE2      GLN   5  -0.222   0.188  -3.165
   49   2HE2  GLN   5          2HE2      GLN   5  -0.246   1.874  -3.540
   50    H    TYR   6           H        TYR   6  -3.626  -2.676   0.376
   51    HA   TYR   6           HA       TYR   6  -2.130  -4.211   1.138
   52   1HB   TYR   6          2HB       TYR   6  -2.458  -5.370  -1.638
   53   2HB   TYR   6          1HB       TYR   6  -1.705  -6.192  -0.280
   54    HD1  TYR   6           1HD      TYR   6  -3.621  -7.791  -1.339
   55    HD2  TYR   6           2HD      TYR   6  -4.316  -4.391   1.128
   56    HE1  TYR   6           1HE      TYR   6  -5.804  -8.714  -0.687
   57    HE2  TYR   6           2HE      TYR   6  -6.500  -5.306   1.781
   58    HH   TYR   6           HH       TYR   6  -7.419  -8.057   1.780
   59    H    TRP   7           H        TRP   7  -0.612  -2.385   1.144
   60    HA   TRP   7           HA       TRP   7   1.259  -2.057  -0.986
   61   1HB   TRP   7          2HB       TRP   7   2.463  -0.597   0.595
   62   2HB   TRP   7          1HB       TRP   7   0.745  -0.216   0.539
   63    HD1  TRP   7           HD       TRP   7   2.929  -2.584   2.729
   64    HE1  TRP   7           1HE      TRP   7   2.184  -2.294   5.175
   65    HE3  TRP   7           3HE      TRP   7  -0.761   0.889   2.049
   66    HZ2  TRP   7           2HZ      TRP   7   0.285  -0.793   6.624
   67    HZ3  TRP   7           3HZ      TRP   7  -1.995   1.699   4.017
   68    HH2  TRP   7           HH       TRP   7  -1.482   0.873   6.257
   69    H    TRP   8           H        TRP   8   3.724  -2.006  -0.060
   70    HA   TRP   8           HA       TRP   8   4.411  -4.337   1.484
   71   1HB   TRP   8          2HB       TRP   8   3.938  -5.327  -0.731
   72   2HB   TRP   8          1HB       TRP   8   5.100  -4.234  -1.464
   73    HD1  TRP   8           HD       TRP   8   5.966  -6.846  -2.239
   74    HE1  TRP   8           1HE      TRP   8   7.809  -8.260  -1.140
   75    HE3  TRP   8           3HE      TRP   8   6.076  -4.634   2.392
   76    HZ2  TRP   8           2HZ      TRP   8   9.111  -8.443   1.344
   77    HZ3  TRP   8           3HZ      TRP   8   7.638  -5.511   4.067
   78    HH2  TRP   8           HH       TRP   8   9.122  -7.378   3.556
   79    H    ARG   9           H        ARG   9   6.518  -3.230  -1.054
   80    HA   ARG   9           HA       ARG   9   8.243  -1.975   0.927
   81   1HB   ARG   9          2HB       ARG   9   8.768  -2.665  -1.968
   82   2HB   ARG   9          1HB       ARG   9   9.941  -1.945  -0.878
   83   1HG   ARG   9          2HG       ARG   9   8.658  -4.647  -0.542
   84   2HG   ARG   9          1HG       ARG   9  10.295  -4.340  -1.129
   85   1HD   ARG   9          2HD       ARG   9  10.852  -3.273   1.006
   86   2HD   ARG   9          1HD       ARG   9   9.221  -3.595   1.592
   87    HE   ARG   9           HE       ARG   9  10.361  -6.019   0.791
   88   1HH1  ARG   9          1HH1      ARG   9  10.792  -3.576   3.248
   89   2HH1  ARG   9          2HH1      ARG   9  11.432  -4.684   4.415
   90   1HH2  ARG   9          1HH2      ARG   9  11.203  -7.478   2.327
   91   2HH2  ARG   9          2HH2      ARG   9  11.665  -6.898   3.892
   92    HA   PRO  10           HA       PRO  10   7.568   1.682  -2.043
   93   1HB   PRO  10          2HB       PRO  10   5.966   1.494  -4.164
   94   2HB   PRO  10          1HB       PRO  10   7.598   0.815  -4.198
   95   1HG   PRO  10          2HG       PRO  10   4.976  -0.567  -3.832
   96   2HG   PRO  10          1HG       PRO  10   6.399  -1.087  -4.749
   97   1HD   PRO  10          2HD       PRO  10   5.735  -1.937  -2.187
   98   2HD   PRO  10          1HD       PRO  10   7.342  -2.059  -2.924
   99    H    SER  11           H        SER  11   6.451   2.403  -0.148
  100    HA   SER  11           HA       SER  11   3.588   2.171   0.021
  101   1HB   SER  11          2HB       SER  11   5.527   3.845   1.637
  102   2HB   SER  11          1HB       SER  11   3.822   3.608   2.020
  103    HG   SER  11           HG       SER  11   5.621   1.445   1.731
  104    H    ILE  12           H        ILE  12   3.476   3.133  -2.256
  105    HA   ILE  12           HA       ILE  12   3.320   6.073  -2.084
  106    HB   ILE  12           HB       ILE  12   3.697   4.350  -4.540
  107   1HG1  ILE  12          2HG1      ILE  12   5.719   4.517  -3.170
  108   2HG1  ILE  12          1HG1      ILE  12   5.909   5.429  -4.664
  109   1HG2  ILE  12          1HG2      ILE  12   4.222   6.850  -5.377
  110   2HG2  ILE  12          2HG2      ILE  12   2.975   7.188  -4.176
  111   3HG2  ILE  12          3HG2      ILE  12   2.637   6.090  -5.516
  112   1HD1  ILE  12          1HD1      ILE  12   6.175   6.311  -1.971
  113   2HD1  ILE  12          2HD1      ILE  12   4.874   7.212  -2.750
  114   3HD1  ILE  12          3HD1      ILE  12   6.485   7.191  -3.467
  Start of MODEL   15
    1   1H    HIS   1          1HT       HIS   1  -4.729   7.088  -2.200
    2   2H    HIS   1          2HT       HIS   1  -6.089   6.043  -2.149
    3   3H    HIS   1          3HT       HIS   1  -4.609   5.497  -2.825
    4    HA   HIS   1           HA       HIS   1  -3.587   5.878  -0.623
    5   1HB   HIS   1          2HB       HIS   1  -6.513   6.056   0.133
    6   2HB   HIS   1          1HB       HIS   1  -5.177   5.943   1.272
    7    HD1  HIS   1           1HD      HIS   1  -3.288   8.020   0.668
    8    HD2  HIS   1           2HD      HIS   1  -7.332   8.610  -0.081
    9    HE1  HIS   1           1HE      HIS   1  -3.596  10.513   0.567
   10    HE2  HIS   1           2HE      HIS   1  -6.032  10.843   0.015
   11    HA   PRO   2           HA       PRO   2  -4.008   1.475  -0.614
   12   1HB   PRO   2          2HB       PRO   2  -2.715   0.850   1.662
   13   2HB   PRO   2          1HB       PRO   2  -1.865   1.494   0.251
   14   1HG   PRO   2          2HG       PRO   2  -2.770   2.915   2.730
   15   2HG   PRO   2          1HG       PRO   2  -1.226   3.045   1.867
   16   1HD   PRO   2          2HD       PRO   2  -3.250   4.848   1.587
   17   2HD   PRO   2          1HD       PRO   2  -2.080   4.492   0.301
   18    H    LEU   3           H        LEU   3  -6.226   1.124  -0.373
   19    HA   LEU   3           HA       LEU   3  -7.151   0.807   2.398
   20   1HB   LEU   3          2HB       LEU   3  -9.427   1.212   1.588
   21   2HB   LEU   3          1HB       LEU   3  -8.362   2.576   1.316
   22    HG   LEU   3           HG       LEU   3  -8.160   1.931  -1.052
   23   1HD1  LEU   3          1HD1      LEU   3  -8.529  -0.266  -1.413
   24   2HD1  LEU   3          2HD1      LEU   3 -10.171   0.301  -1.704
   25   3HD1  LEU   3          3HD1      LEU   3  -9.742  -0.388  -0.139
   26   1HD2  LEU   3          1HD2      LEU   3  -9.742   3.568  -0.813
   27   2HD2  LEU   3          2HD2      LEU   3 -10.790   2.564   0.189
   28   3HD2  LEU   3          3HD2      LEU   3 -10.707   2.289  -1.551
   29    H    LYS   4           H        LYS   4  -6.542  -0.796  -0.547
   30    HA   LYS   4           HA       LYS   4  -7.725  -3.234   0.568
   31   1HB   LYS   4          2HB       LYS   4  -9.311  -2.394  -1.081
   32   2HB   LYS   4          1HB       LYS   4  -8.037  -2.310  -2.290
   33   1HG   LYS   4          2HG       LYS   4  -7.788  -4.739  -2.201
   34   2HG   LYS   4          1HG       LYS   4  -9.065  -4.823  -0.985
   35   1HD   LYS   4          2HD       LYS   4 -10.649  -3.865  -2.587
   36   2HD   LYS   4          1HD       LYS   4  -9.370  -3.780  -3.801
   37   1HE   LYS   4          2HE       LYS   4  -9.134  -6.215  -3.717
   38   2HE   LYS   4          1HE       LYS   4 -10.410  -6.298  -2.504
   39   1HZ   LYS   4          1HZ       LYS   4 -11.078  -4.916  -4.973
   40   2HZ   LYS   4          2HZ       LYS   4 -12.009  -5.971  -4.036
   41   3HZ   LYS   4          3HZ       LYS   4 -10.849  -6.588  -5.101
   42    H    GLN   5           H        GLN   5  -5.101  -1.704  -0.976
   43    HA   GLN   5           HA       GLN   5  -3.928  -4.264  -1.769
   44   1HB   GLN   5          2HB       GLN   5  -3.894  -2.513  -3.471
   45   2HB   GLN   5          1HB       GLN   5  -3.040  -1.441  -2.370
   46   1HG   GLN   5          2HG       GLN   5  -1.129  -2.961  -2.368
   47   2HG   GLN   5          1HG       GLN   5  -1.986  -4.038  -3.469
   48   1HE2  GLN   5          1HE2      GLN   5   0.326  -1.761  -3.330
   49   2HE2  GLN   5          2HE2      GLN   5   0.238  -1.134  -4.938
   50    H    TYR   6           H        TYR   6  -3.567  -1.624   0.445
   51    HA   TYR   6           HA       TYR   6  -2.190  -1.254   2.224
   52   1HB   TYR   6          2HB       TYR   6  -1.951  -4.269   2.138
   53   2HB   TYR   6          1HB       TYR   6  -1.472  -3.253   3.491
   54    HD1  TYR   6           1HD      TYR   6  -3.127  -5.208   4.381
   55    HD2  TYR   6           2HD      TYR   6  -4.326  -1.733   2.235
   56    HE1  TYR   6           1HE      TYR   6  -5.386  -5.404   5.331
   57    HE2  TYR   6           2HE      TYR   6  -6.586  -1.923   3.178
   58    HH   TYR   6           HH       TYR   6  -7.654  -4.705   4.850
   59    H    TRP   7           H        TRP   7  -1.029  -1.149  -0.410
   60    HA   TRP   7           HA       TRP   7   0.959  -1.171  -1.537
   61   1HB   TRP   7          2HB       TRP   7   2.810  -0.149  -0.278
   62   2HB   TRP   7          1HB       TRP   7   1.288   0.680   0.016
   63    HD1  TRP   7           HD       TRP   7   3.174  -2.241   1.775
   64    HE1  TRP   7           1HE      TRP   7   3.072  -1.817   4.312
   65    HE3  TRP   7           3HE      TRP   7   0.491   2.109   1.764
   66    HZ2  TRP   7           2HZ      TRP   7   1.996   0.107   6.075
   67    HZ3  TRP   7           3HZ      TRP   7  -0.033   3.178   3.918
   68    HH2  TRP   7           HH       TRP   7   0.705   2.197   6.028
   69    H    TRP   8           H        TRP   8   3.550  -1.764  -0.905
   70    HA   TRP   8           HA       TRP   8   3.658  -4.429   0.240
   71   1HB   TRP   8          2HB       TRP   8   2.993  -4.835  -2.094
   72   2HB   TRP   8          1HB       TRP   8   4.370  -3.903  -2.655
   73    HD1  TRP   8           HD       TRP   8   4.600  -6.441  -3.957
   74    HE1  TRP   8           1HE      TRP   8   6.107  -8.401  -3.259
   75    HE3  TRP   8           3HE      TRP   8   5.275  -5.269   0.996
   76    HZ2  TRP   8           2HZ      TRP   8   7.386  -9.343  -0.941
   77    HZ3  TRP   8           3HZ      TRP   8   6.644  -6.767   2.373
   78    HH2  TRP   8           HH       TRP   8   7.675  -8.766   1.427
   79    H    ARG   9           H        ARG   9   5.999  -3.352  -2.102
   80    HA   ARG   9           HA       ARG   9   8.078  -3.353  -0.159
   81   1HB   ARG   9          2HB       ARG   9   8.113  -2.427  -3.035
   82   2HB   ARG   9          1HB       ARG   9   9.534  -2.658  -2.028
   83   1HG   ARG   9          2HG       ARG   9   7.589  -4.802  -2.856
   84   2HG   ARG   9          1HG       ARG   9   9.196  -4.537  -3.533
   85   1HD   ARG   9          2HD       ARG   9  10.189  -4.977  -1.338
   86   2HD   ARG   9          1HD       ARG   9   8.581  -5.242  -0.664
   87    HE   ARG   9           HE       ARG   9   8.921  -6.969  -2.839
   88   1HH1  ARG   9          1HH1      ARG   9  10.194  -6.476   0.373
   89   2HH1  ARG   9          2HH1      ARG   9  10.571  -8.148   0.616
   90   1HH2  ARG   9          1HH2      ARG   9   9.417  -9.168  -2.522
   91   2HH2  ARG   9          2HH2      ARG   9  10.132  -9.677  -1.028
   92    HA   PRO  10           HA       PRO  10   8.065   1.407  -0.804
   93   1HB   PRO  10          2HB       PRO  10   5.998   2.575  -2.063
   94   2HB   PRO  10          1HB       PRO  10   7.370   1.902  -2.952
   95   1HG   PRO  10          2HG       PRO  10   4.663   0.720  -2.468
   96   2HG   PRO  10          1HG       PRO  10   5.623   0.742  -3.957
   97   1HD   PRO  10          2HD       PRO  10   5.485  -1.410  -2.282
   98   2HD   PRO  10          1HD       PRO  10   6.884  -1.060  -3.314
   99    H    SER  11           H        SER  11   7.598   0.918   1.467
  100    HA   SER  11           HA       SER  11   4.863   1.592   2.301
  101   1HB   SER  11          2HB       SER  11   7.118   0.317   3.870
  102   2HB   SER  11          1HB       SER  11   5.501   0.640   4.493
  103    HG   SER  11           HG       SER  11   5.418  -1.428   3.811
  104    H    ILE  12           H        ILE  12   4.426   3.336   3.563
  105    HA   ILE  12           HA       ILE  12   6.213   5.516   3.544
  106    HB   ILE  12           HB       ILE  12   3.726   5.110   5.214
  107   1HG1  ILE  12          2HG1      ILE  12   3.294   4.977   2.809
  108   2HG1  ILE  12          1HG1      ILE  12   2.626   6.464   3.476
  109   1HG2  ILE  12          1HG2      ILE  12   3.901   7.773   4.901
  110   2HG2  ILE  12          2HG2      ILE  12   5.616   7.360   4.954
  111   3HG2  ILE  12          3HG2      ILE  12   4.559   6.913   6.293
  112   1HD1  ILE  12          1HD1      ILE  12   4.747   6.065   1.496
  113   2HD1  ILE  12          2HD1      ILE  12   5.072   7.311   2.702
  114   3HD1  ILE  12          3HD1      ILE  12   3.618   7.403   1.706
  Start of MODEL   16
    1   1H    HIS   1          1HT       HIS   1  -4.729   6.538   4.506
    2   2H    HIS   1          2HT       HIS   1  -3.367   7.132   5.365
    3   3H    HIS   1          3HT       HIS   1  -4.650   6.366   6.209
    4    HA   HIS   1           HA       HIS   1  -2.627   5.198   4.446
    5   1HB   HIS   1          2HB       HIS   1  -3.638   4.579   7.232
    6   2HB   HIS   1          1HB       HIS   1  -2.352   3.710   6.402
    7    HD1  HIS   1           1HD      HIS   1  -0.388   5.613   5.523
    8    HD2  HIS   1           2HD      HIS   1  -2.587   6.340   8.973
    9    HE1  HIS   1           1HE      HIS   1   0.959   7.280   6.839
   10    HE2  HIS   1           2HE      HIS   1  -0.430   7.766   8.885
   11    HA   PRO   2           HA       PRO   2  -6.373   3.151   2.720
   12   1HB   PRO   2          2HB       PRO   2  -4.095   1.892   1.252
   13   2HB   PRO   2          1HB       PRO   2  -5.647   2.472   0.635
   14   1HG   PRO   2          2HG       PRO   2  -3.430   3.901   0.281
   15   2HG   PRO   2          1HG       PRO   2  -4.974   4.691   0.648
   16   1HD   PRO   2          2HD       PRO   2  -2.609   4.247   2.400
   17   2HD   PRO   2          1HD       PRO   2  -3.783   5.578   2.399
   18    H    LEU   3           H        LEU   3  -7.051   0.929   2.693
   19    HA   LEU   3           HA       LEU   3  -5.363  -0.906   4.233
   20   1HB   LEU   3          2HB       LEU   3  -7.299  -1.622   5.551
   21   2HB   LEU   3          1HB       LEU   3  -6.892   0.060   5.818
   22    HG   LEU   3           HG       LEU   3  -8.747   0.735   4.349
   23   1HD1  LEU   3          1HD1      LEU   3 -10.475  -1.162   3.951
   24   2HD1  LEU   3          2HD1      LEU   3  -9.065  -2.217   4.052
   25   3HD1  LEU   3          3HD1      LEU   3  -9.133  -0.950   2.827
   26   1HD2  LEU   3          1HD2      LEU   3  -9.125  -0.834   6.828
   27   2HD2  LEU   3          2HD2      LEU   3 -10.571  -0.423   5.905
   28   3HD2  LEU   3          3HD2      LEU   3  -9.501   0.855   6.482
   29    H    LYS   4           H        LYS   4  -6.638  -0.490   1.361
   30    HA   LYS   4           HA       LYS   4  -7.326  -3.333   1.052
   31   1HB   LYS   4          2HB       LYS   4  -9.360  -1.997   0.869
   32   2HB   LYS   4          1HB       LYS   4  -8.609  -0.993  -0.363
   33   1HG   LYS   4          2HG       LYS   4  -8.470  -2.918  -1.858
   34   2HG   LYS   4          1HG       LYS   4  -9.215  -3.931  -0.621
   35   1HD   LYS   4          2HD       LYS   4 -11.227  -2.537  -0.694
   36   2HD   LYS   4          1HD       LYS   4 -10.479  -1.523  -1.930
   37   1HE   LYS   4          2HE       LYS   4 -10.350  -3.451  -3.431
   38   2HE   LYS   4          1HE       LYS   4 -11.093  -4.466  -2.195
   39   1HZ   LYS   4          1HZ       LYS   4 -12.422  -2.054  -3.284
   40   2HZ   LYS   4          2HZ       LYS   4 -13.113  -3.305  -2.381
   41   3HZ   LYS   4          3HZ       LYS   4 -12.615  -3.588  -3.973
   42    H    GLN   5           H        GLN   5  -5.349  -0.751   0.076
   43    HA   GLN   5           HA       GLN   5  -4.842  -1.545  -2.599
   44   1HB   GLN   5          2HB       GLN   5  -4.360   0.720  -1.823
   45   2HB   GLN   5          1HB       GLN   5  -3.161   0.094  -0.701
   46   1HG   GLN   5          2HG       GLN   5  -1.814  -0.697  -2.576
   47   2HG   GLN   5          1HG       GLN   5  -3.017  -0.072  -3.703
   48   1HE2  GLN   5          1HE2      GLN   5  -0.114   0.550  -2.380
   49   2HE2  GLN   5          2HE2      GLN   5  -0.090   2.274  -2.490
   50    H    TYR   6           H        TYR   6  -3.544  -2.464   0.485
   51    HA   TYR   6           HA       TYR   6  -2.012  -4.024   1.133
   52   1HB   TYR   6          2HB       TYR   6  -2.785  -5.268  -1.514
   53   2HB   TYR   6          1HB       TYR   6  -1.917  -6.090  -0.226
   54    HD1  TYR   6           1HD      TYR   6  -4.070  -7.572  -0.954
   55    HD2  TYR   6           2HD      TYR   6  -4.178  -4.045   1.427
   56    HE1  TYR   6           1HE      TYR   6  -6.204  -8.301   0.024
   57    HE2  TYR   6           2HE      TYR   6  -6.312  -4.766   2.406
   58    HH   TYR   6           HH       TYR   6  -8.150  -6.219   1.953
   59    H    TRP   7           H        TRP   7  -0.297  -2.445   0.933
   60    HA   TRP   7           HA       TRP   7   1.418  -2.806  -1.426
   61   1HB   TRP   7          2HB       TRP   7   2.542  -0.736  -0.701
   62   2HB   TRP   7          1HB       TRP   7   0.815  -0.489  -0.940
   63    HD1  TRP   7           HD       TRP   7   3.024  -1.475   2.112
   64    HE1  TRP   7           1HE      TRP   7   2.216  -0.107   4.137
   65    HE3  TRP   7           3HE      TRP   7  -0.763   1.131  -0.126
   66    HZ2  TRP   7           2HZ      TRP   7   0.235   1.820   4.710
   67    HZ3  TRP   7           3HZ      TRP   7  -2.066   2.716   1.231
   68    HH2  TRP   7           HH       TRP   7  -1.576   3.052   3.600
   69    H    TRP   8           H        TRP   8   3.777  -2.874  -1.038
   70    HA   TRP   8           HA       TRP   8   4.381  -4.399   1.411
   71   1HB   TRP   8          2HB       TRP   8   4.575  -5.688  -0.687
   72   2HB   TRP   8          1HB       TRP   8   5.725  -4.512  -1.300
   73    HD1  TRP   8           HD       TRP   8   7.081  -7.021  -1.485
   74    HE1  TRP   8           1HE      TRP   8   8.778  -7.996   0.179
   75    HE3  TRP   8           3HE      TRP   8   5.806  -4.325   2.693
   76    HZ2  TRP   8           2HZ      TRP   8   9.466  -7.699   2.888
   77    HZ3  TRP   8           3HZ      TRP   8   7.027  -4.758   4.776
   78    HH2  TRP   8           HH       TRP   8   8.817  -6.411   4.873
   79    H    ARG   9           H        ARG   9   6.889  -3.286  -0.720
   80    HA   ARG   9           HA       ARG   9   7.951  -1.593   1.387
   81   1HB   ARG   9          2HB       ARG   9   9.143  -2.397  -1.271
   82   2HB   ARG   9          1HB       ARG   9   9.961  -1.437  -0.051
   83   1HG   ARG   9          2HG       ARG   9   9.017  -4.276   0.286
   84   2HG   ARG   9          1HG       ARG   9  10.681  -3.761  -0.002
   85   1HD   ARG   9          2HD       ARG   9  10.643  -2.494   2.097
   86   2HD   ARG   9          1HD       ARG   9   8.987  -3.025   2.384
   87    HE   ARG   9           HE       ARG   9  10.581  -5.291   2.026
   88   1HH1  ARG   9          1HH1      ARG   9  10.177  -2.682   4.309
   89   2HH1  ARG   9          2HH1      ARG   9  10.715  -3.618   5.663
   90   1HH2  ARG   9          1HH2      ARG   9  11.286  -6.522   3.806
   91   2HH2  ARG   9          2HH2      ARG   9  11.345  -5.799   5.378
   92    HA   PRO  10           HA       PRO  10   7.421   1.658  -2.066
   93   1HB   PRO  10          2HB       PRO  10   6.225   1.055  -4.374
   94   2HB   PRO  10          1HB       PRO  10   7.915   0.625  -4.082
   95   1HG   PRO  10          2HG       PRO  10   5.472  -1.090  -3.953
   96   2HG   PRO  10          1HG       PRO  10   7.077  -1.471  -4.603
   97   1HD   PRO  10          2HD       PRO  10   6.161  -2.210  -2.096
   98   2HD   PRO  10          1HD       PRO  10   7.867  -2.102  -2.563
   99    H    SER  11           H        SER  11   5.953   2.569  -0.619
  100    HA   SER  11           HA       SER  11   3.154   1.899  -0.714
  101   1HB   SER  11          2HB       SER  11   4.593   4.146   0.717
  102   2HB   SER  11          1HB       SER  11   2.902   3.706   0.952
  103    HG   SER  11           HG       SER  11   3.738   1.575   1.548
  104    H    ILE  12           H        ILE  12   1.498   3.071  -1.603
  105    HA   ILE  12           HA       ILE  12   0.429   4.503  -3.013
  106    HB   ILE  12           HB       ILE  12   2.775   6.320  -2.432
  107   1HG1  ILE  12          2HG1      ILE  12   1.516   5.710  -0.424
  108   2HG1  ILE  12          1HG1      ILE  12   1.236   7.399  -0.840
  109   1HG2  ILE  12          1HG2      ILE  12   1.652   6.980  -4.481
  110   2HG2  ILE  12          2HG2      ILE  12   1.307   8.134  -3.193
  111   3HG2  ILE  12          3HG2      ILE  12   0.093   6.945  -3.660
  112   1HD1  ILE  12          1HD1      ILE  12  -0.843   6.396  -2.095
  113   2HD1  ILE  12          2HD1      ILE  12  -0.886   6.732  -0.364
  114   3HD1  ILE  12          3HD1      ILE  12  -0.619   5.085  -0.936
  Start of MODEL   17
    1   1H    HIS   1          1HT       HIS   1  -3.457   5.197   5.503
    2   2H    HIS   1          2HT       HIS   1  -3.704   3.500   5.403
    3   3H    HIS   1          3HT       HIS   1  -4.408   4.399   6.684
    4    HA   HIS   1           HA       HIS   1  -6.191   4.306   5.432
    5   1HB   HIS   1          2HB       HIS   1  -4.611   6.481   4.043
    6   2HB   HIS   1          1HB       HIS   1  -6.359   6.299   3.975
    7    HD1  HIS   1           1HD      HIS   1  -7.362   6.148   6.662
    8    HD2  HIS   1           2HD      HIS   1  -3.947   8.370   5.841
    9    HE1  HIS   1           1HE      HIS   1  -7.147   7.779   8.564
   10    HE2  HIS   1           2HE      HIS   1  -5.125   9.172   7.999
   11    HA   PRO   2           HA       PRO   2  -4.916   3.272   0.940
   12   1HB   PRO   2          2HB       PRO   2  -2.336   3.208   0.225
   13   2HB   PRO   2          1HB       PRO   2  -3.238   4.727   0.288
   14   1HG   PRO   2          2HG       PRO   2  -1.301   3.590   2.259
   15   2HG   PRO   2          1HG       PRO   2  -1.483   5.263   1.705
   16   1HD   PRO   2          2HD       PRO   2  -2.499   4.281   4.070
   17   2HD   PRO   2          1HD       PRO   2  -3.132   5.703   3.220
   18    H    LEU   3           H        LEU   3  -5.361   1.454   2.835
   19    HA   LEU   3           HA       LEU   3  -3.394  -0.680   2.385
   20   1HB   LEU   3          2HB       LEU   3  -4.283  -1.742   4.406
   21   2HB   LEU   3          1HB       LEU   3  -3.634  -0.146   4.716
   22    HG   LEU   3           HG       LEU   3  -5.920   0.764   4.773
   23   1HD1  LEU   3          1HD1      LEU   3  -6.644  -2.064   4.150
   24   2HD1  LEU   3          2HD1      LEU   3  -7.265  -0.568   3.455
   25   3HD1  LEU   3          3HD1      LEU   3  -7.742  -1.049   5.083
   26   1HD2  LEU   3          1HD2      LEU   3  -5.429  -1.558   6.631
   27   2HD2  LEU   3          2HD2      LEU   3  -6.578  -0.249   6.909
   28   3HD2  LEU   3          3HD2      LEU   3  -4.849   0.094   6.841
   29    H    LYS   4           H        LYS   4  -5.947   0.278   0.854
   30    HA   LYS   4           HA       LYS   4  -7.660  -2.018   0.932
   31   1HB   LYS   4          2HB       LYS   4  -8.550   0.186   0.362
   32   2HB   LYS   4          1HB       LYS   4  -7.503   0.259  -1.048
   33   1HG   LYS   4          2HG       LYS   4  -8.678  -1.647  -2.024
   34   2HG   LYS   4          1HG       LYS   4  -9.728  -1.722  -0.608
   35   1HD   LYS   4          2HD       LYS   4 -10.545   0.535  -1.096
   36   2HD   LYS   4          1HD       LYS   4  -9.492   0.609  -2.510
   37   1HE   LYS   4          2HE       LYS   4 -10.681  -1.291  -3.492
   38   2HE   LYS   4          1HE       LYS   4 -11.732  -1.366  -2.077
   39   1HZ   LYS   4          1HZ       LYS   4 -12.055   1.173  -2.794
   40   2HZ   LYS   4          2HZ       LYS   4 -13.040  -0.082  -3.358
   41   3HZ   LYS   4          3HZ       LYS   4 -11.765   0.486  -4.313
   42    H    GLN   5           H        GLN   5  -4.751  -1.226  -0.669
   43    HA   GLN   5           HA       GLN   5  -5.141  -3.430  -2.581
   44   1HB   GLN   5          2HB       GLN   5  -4.718  -1.275  -3.655
   45   2HB   GLN   5          1HB       GLN   5  -3.245  -1.078  -2.717
   46   1HG   GLN   5          2HG       GLN   5  -2.271  -3.019  -3.830
   47   2HG   GLN   5          1HG       GLN   5  -3.751  -3.224  -4.766
   48   1HE2  GLN   5          1HE2      GLN   5  -0.707  -2.097  -4.917
   49   2HE2  GLN   5          2HE2      GLN   5  -0.883  -0.901  -6.151
   50    H    TYR   6           H        TYR   6  -3.701  -2.732   0.319
   51    HA   TYR   6           HA       TYR   6  -2.165  -3.802   1.603
   52   1HB   TYR   6          2HB       TYR   6  -2.156  -5.830  -0.644
   53   2HB   TYR   6          1HB       TYR   6  -1.427  -6.065   0.937
   54    HD1  TYR   6           1HD      TYR   6  -3.082  -8.145   0.397
   55    HD2  TYR   6           2HD      TYR   6  -4.310  -4.243   1.573
   56    HE1  TYR   6           1HE      TYR   6  -5.199  -9.068   1.236
   57    HE2  TYR   6           2HE      TYR   6  -6.429  -5.158   2.412
   58    HH   TYR   6           HH       TYR   6  -7.441  -8.367   1.748
   59    H    TRP   7           H        TRP   7  -0.615  -2.202   1.475
   60    HA   TRP   7           HA       TRP   7   1.165  -1.862  -0.691
   61   1HB   TRP   7          2HB       TRP   7   2.462  -0.455   0.864
   62   2HB   TRP   7          1HB       TRP   7   0.743  -0.076   0.921
   63    HD1  TRP   7           HD       TRP   7   3.053  -2.508   2.902
   64    HE1  TRP   7           1HE      TRP   7   2.454  -2.297   5.396
   65    HE3  TRP   7           3HE      TRP   7  -0.670   0.978   2.550
   66    HZ2  TRP   7           2HZ      TRP   7   0.643  -0.845   7.001
   67    HZ3  TRP   7           3HZ      TRP   7  -1.786   1.723   4.612
   68    HH2  TRP   7           HH       TRP   7  -1.142   0.830   6.791
   69    H    TRP   8           H        TRP   8   3.678  -1.851   0.027
   70    HA   TRP   8           HA       TRP   8   4.596  -4.042   1.560
   71   1HB   TRP   8          2HB       TRP   8   3.626  -5.333  -0.293
   72   2HB   TRP   8          1HB       TRP   8   4.591  -4.425  -1.442
   73    HD1  TRP   8           HD       TRP   8   5.195  -7.175  -1.956
   74    HE1  TRP   8           1HE      TRP   8   7.253  -8.479  -1.143
   75    HE3  TRP   8           3HE      TRP   8   6.498  -4.272   2.074
   76    HZ2  TRP   8           2HZ      TRP   8   9.153  -8.326   0.923
   77    HZ3  TRP   8           3HZ      TRP   8   8.441  -4.940   3.412
   78    HH2  TRP   8           HH       TRP   8   9.739  -6.929   2.853
   79    H    ARG   9           H        ARG   9   6.156  -3.504  -1.495
   80    HA   ARG   9           HA       ARG   9   8.521  -2.564  -0.311
   81   1HB   ARG   9          2HB       ARG   9   7.627  -2.367  -3.192
   82   2HB   ARG   9          1HB       ARG   9   9.265  -2.098  -2.618
   83   1HG   ARG   9          2HG       ARG   9   7.730  -4.681  -2.432
   84   2HG   ARG   9          1HG       ARG   9   9.015  -4.314  -3.584
   85   1HD   ARG   9          2HD       ARG   9  10.591  -4.034  -1.733
   86   2HD   ARG   9          1HD       ARG   9   9.305  -4.400  -0.582
   87    HE   ARG   9           HE       ARG   9   9.490  -6.516  -2.403
   88   1HH1  ARG   9          1HH1      ARG   9  11.360  -5.052   0.154
   89   2HH1  ARG   9          2HH1      ARG   9  12.162  -6.525   0.581
   90   1HH2  ARG   9          1HH2      ARG   9  10.544  -8.456  -1.843
   91   2HH2  ARG   9          2HH2      ARG   9  11.700  -8.457  -0.553
   92    HA   PRO  10           HA       PRO  10   7.261   1.822  -2.061
   93   1HB   PRO  10          2HB       PRO  10   4.530   2.155  -2.274
   94   2HB   PRO  10          1HB       PRO  10   5.616   1.836  -3.629
   95   1HG   PRO  10          2HG       PRO  10   3.880  -0.056  -2.105
   96   2HG   PRO  10          1HG       PRO  10   4.225   0.002  -3.843
   97   1HD   PRO  10          2HD       PRO  10   5.398  -1.792  -2.233
   98   2HD   PRO  10          1HD       PRO  10   6.261  -1.068  -3.602
   99    H    SER  11           H        SER  11   4.207   1.031  -0.525
  100    HA   SER  11           HA       SER  11   3.284   1.612   1.472
  101   1HB   SER  11          2HB       SER  11   6.168   1.600   2.395
  102   2HB   SER  11          1HB       SER  11   4.760   1.624   3.455
  103    HG   SER  11           HG       SER  11   4.147  -0.389   2.396
  104    H    ILE  12           H        ILE  12   3.313   3.372   3.220
  105    HA   ILE  12           HA       ILE  12   3.204   5.580   3.759
  106    HB   ILE  12           HB       ILE  12   5.661   5.792   2.010
  107   1HG1  ILE  12          2HG1      ILE  12   5.960   4.265   3.900
  108   2HG1  ILE  12          1HG1      ILE  12   6.891   5.739   4.143
  109   1HG2  ILE  12          1HG2      ILE  12   5.211   7.994   2.180
  110   2HG2  ILE  12          2HG2      ILE  12   5.889   7.803   3.797
  111   3HG2  ILE  12          3HG2      ILE  12   4.141   7.777   3.564
  112   1HD1  ILE  12          1HD1      ILE  12   4.898   4.564   5.810
  113   2HD1  ILE  12          2HD1      ILE  12   4.386   6.181   5.328
  114   3HD1  ILE  12          3HD1      ILE  12   5.942   5.951   6.125
  Start of MODEL   18
    1   1H    HIS   1          1HT       HIS   1  -7.154   6.810   4.071
    2   2H    HIS   1          2HT       HIS   1  -7.787   5.252   3.726
    3   3H    HIS   1          3HT       HIS   1  -7.252   6.266   2.449
    4    HA   HIS   1           HA       HIS   1  -5.023   6.210   3.509
    5   1HB   HIS   1          2HB       HIS   1  -6.362   3.905   4.948
    6   2HB   HIS   1          1HB       HIS   1  -4.638   4.262   4.986
    7    HD1  HIS   1           1HD      HIS   1  -4.294   7.000   5.786
    8    HD2  HIS   1           2HD      HIS   1  -7.543   4.820   7.186
    9    HE1  HIS   1           1HE      HIS   1  -5.054   8.188   7.869
   10    HE2  HIS   1           2HE      HIS   1  -6.978   6.812   8.736
   11    HA   PRO   2           HA       PRO   2  -4.563   3.500   0.027
   12   1HB   PRO   2          2HB       PRO   2  -1.888   3.334  -0.076
   13   2HB   PRO   2          1HB       PRO   2  -2.737   4.838  -0.447
   14   1HG   PRO   2          2HG       PRO   2  -1.339   4.025   2.070
   15   2HG   PRO   2          1HG       PRO   2  -1.316   5.587   1.233
   16   1HD   PRO   2          2HD       PRO   2  -2.881   5.044   3.419
   17   2HD   PRO   2          1HD       PRO   2  -3.279   6.266   2.196
   18    H    LEU   3           H        LEU   3  -5.454   1.979   2.040
   19    HA   LEU   3           HA       LEU   3  -3.518  -0.221   2.257
   20   1HB   LEU   3          2HB       LEU   3  -4.735  -0.941   4.259
   21   2HB   LEU   3          1HB       LEU   3  -4.066   0.669   4.421
   22    HG   LEU   3           HG       LEU   3  -6.292   1.630   4.005
   23   1HD1  LEU   3          1HD1      LEU   3  -8.226  -0.058   4.301
   24   2HD1  LEU   3          2HD1      LEU   3  -7.058  -1.245   3.721
   25   3HD1  LEU   3          3HD1      LEU   3  -7.488   0.137   2.711
   26   1HD2  LEU   3          1HD2      LEU   3  -7.326   0.865   6.146
   27   2HD2  LEU   3          2HD2      LEU   3  -5.633   1.341   6.278
   28   3HD2  LEU   3          3HD2      LEU   3  -6.068  -0.367   6.246
   29    H    LYS   4           H        LYS   4  -5.672   0.507   0.178
   30    HA   LYS   4           HA       LYS   4  -7.579  -1.618   0.333
   31   1HB   LYS   4          2HB       LYS   4  -8.100   0.463  -0.840
   32   2HB   LYS   4          1HB       LYS   4  -6.800   0.159  -1.984
   33   1HG   LYS   4          2HG       LYS   4  -7.963  -1.833  -2.783
   34   2HG   LYS   4          1HG       LYS   4  -9.269  -1.531  -1.634
   35   1HD   LYS   4          2HD       LYS   4  -9.725   0.615  -2.725
   36   2HD   LYS   4          1HD       LYS   4  -8.420   0.308  -3.873
   37   1HE   LYS   4          2HE       LYS   4  -9.600  -1.677  -4.680
   38   2HE   LYS   4          1HE       LYS   4 -10.903  -1.371  -3.532
   39   1HZ   LYS   4          1HZ       LYS   4 -10.173   0.155  -5.947
   40   2HZ   LYS   4          2HZ       LYS   4 -11.044   0.894  -4.699
   41   3HZ   LYS   4          3HZ       LYS   4 -11.683  -0.458  -5.491
   42    H    GLN   5           H        GLN   5  -4.352  -1.360  -0.762
   43    HA   GLN   5           HA       GLN   5  -4.579  -3.958  -2.134
   44   1HB   GLN   5          2HB       GLN   5  -3.911  -2.168  -3.660
   45   2HB   GLN   5          1HB       GLN   5  -2.577  -1.740  -2.598
   46   1HG   GLN   5          2HG       GLN   5  -1.548  -3.914  -3.008
   47   2HG   GLN   5          1HG       GLN   5  -2.890  -4.350  -4.066
   48   1HE2  GLN   5          1HE2      GLN   5   0.195  -3.326  -4.055
   49   2HE2  GLN   5          2HE2      GLN   5   0.250  -2.500  -5.572
   50    H    TYR   6           H        TYR   6  -3.530  -2.504   0.650
   51    HA   TYR   6           HA       TYR   6  -2.310  -3.245   2.415
   52   1HB   TYR   6          2HB       TYR   6  -1.877  -5.725   0.736
   53   2HB   TYR   6          1HB       TYR   6  -1.457  -5.563   2.434
   54    HD1  TYR   6           1HD      TYR   6  -2.982  -7.781   2.095
   55    HD2  TYR   6           2HD      TYR   6  -4.407  -3.769   2.094
   56    HE1  TYR   6           1HE      TYR   6  -5.221  -8.578   2.724
   57    HE2  TYR   6           2HE      TYR   6  -6.647  -4.559   2.721
   58    HH   TYR   6           HH       TYR   6  -7.499  -6.834   4.026
   59    H    TRP   7           H        TRP   7  -1.129  -2.201  -0.348
   60    HA   TRP   7           HA       TRP   7   0.921  -1.748  -1.260
   61   1HB   TRP   7          2HB       TRP   7   2.400  -0.569   0.319
   62   2HB   TRP   7          1HB       TRP   7   0.720  -0.088   0.512
   63    HD1  TRP   7           HD       TRP   7   2.974  -2.807   2.160
   64    HE1  TRP   7           1HE      TRP   7   2.531  -2.751   4.695
   65    HE3  TRP   7           3HE      TRP   7  -0.531   0.913   2.293
   66    HZ2  TRP   7           2HZ      TRP   7   0.910  -1.322   6.511
   67    HZ3  TRP   7           3HZ      TRP   7  -1.479   1.564   4.469
   68    HH2  TRP   7           HH       TRP   7  -0.773   0.467   6.534
   69    H    TRP   8           H        TRP   8   3.517  -1.916  -0.262
   70    HA   TRP   8           HA       TRP   8   4.176  -4.479   0.739
   71   1HB   TRP   8          2HB       TRP   8   3.381  -5.187  -1.480
   72   2HB   TRP   8          1HB       TRP   8   4.506  -4.078  -2.244
   73    HD1  TRP   8           HD       TRP   8   5.070  -6.635  -3.397
   74    HE1  TRP   8           1HE      TRP   8   6.967  -8.237  -2.740
   75    HE3  TRP   8           3HE      TRP   8   5.986  -4.958   1.369
   76    HZ2  TRP   8           2HZ      TRP   8   8.610  -8.747  -0.519
   77    HZ3  TRP   8           3HZ      TRP   8   7.731  -6.076   2.683
   78    HH2  TRP   8           HH       TRP   8   9.013  -7.934   1.761
   79    H    ARG   9           H        ARG   9   6.048  -3.193  -1.903
   80    HA   ARG   9           HA       ARG   9   8.260  -2.663  -0.187
   81   1HB   ARG   9          2HB       ARG   9   7.874  -2.012  -3.113
   82   2HB   ARG   9          1HB       ARG   9   9.395  -1.894  -2.240
   83   1HG   ARG   9          2HG       ARG   9   7.818  -4.416  -2.705
   84   2HG   ARG   9          1HG       ARG   9   9.283  -3.932  -3.560
   85   1HD   ARG   9          2HD       ARG   9  10.526  -3.986  -1.451
   86   2HD   ARG   9          1HD       ARG   9   9.061  -4.472  -0.600
   87    HE   ARG   9           HE       ARG   9   9.530  -6.300  -2.665
   88   1HH1  ARG   9          1HH1      ARG   9  10.948  -5.301   0.364
   89   2HH1  ARG   9          2HH1      ARG   9  11.656  -6.848   0.687
   90   1HH2  ARG   9          1HH2      ARG   9  10.458  -8.336  -2.240
   91   2HH2  ARG   9          2HH2      ARG   9  11.376  -8.572  -0.792
   92    HA   PRO  10           HA       PRO  10   7.298   1.936  -1.150
   93   1HB   PRO  10          2HB       PRO  10   4.988   2.613  -2.333
   94   2HB   PRO  10          1HB       PRO  10   6.390   2.088  -3.273
   95   1HG   PRO  10          2HG       PRO  10   3.961   0.537  -2.466
   96   2HG   PRO  10          1HG       PRO  10   4.804   0.564  -4.026
   97   1HD   PRO  10          2HD       PRO  10   5.140  -1.396  -2.144
   98   2HD   PRO  10          1HD       PRO  10   6.372  -0.953  -3.341
   99    H    SER  11           H        SER  11   7.058   1.498   1.192
  100    HA   SER  11           HA       SER  11   4.433   1.373   2.335
  101   1HB   SER  11          2HB       SER  11   7.107   1.968   3.625
  102   2HB   SER  11          1HB       SER  11   5.608   1.640   4.494
  103    HG   SER  11           HG       SER  11   5.625  -0.408   3.238
  104    H    ILE  12           H        ILE  12   3.088   3.043   2.312
  105    HA   ILE  12           HA       ILE  12   2.244   5.149   2.493
  106    HB   ILE  12           HB       ILE  12   4.787   5.671   4.042
  107   1HG1  ILE  12          2HG1      ILE  12   3.417   3.895   5.023
  108   2HG1  ILE  12          1HG1      ILE  12   3.363   5.342   6.025
  109   1HG2  ILE  12          1HG2      ILE  12   4.110   7.811   3.690
  110   2HG2  ILE  12          2HG2      ILE  12   3.069   7.432   5.063
  111   3HG2  ILE  12          3HG2      ILE  12   2.427   7.351   3.422
  112   1HD1  ILE  12          1HD1      ILE  12   1.211   5.727   4.422
  113   2HD1  ILE  12          2HD1      ILE  12   1.160   4.983   6.019
  114   3HD1  ILE  12          3HD1      ILE  12   1.226   3.970   4.576
  Start of MODEL   19
    1   1H    HIS   1          1HT       HIS   1  -5.182   8.017  -0.804
    2   2H    HIS   1          2HT       HIS   1  -6.615   7.632   0.059
    3   3H    HIS   1          3HT       HIS   1  -6.358   6.990  -1.511
    4    HA   HIS   1           HA       HIS   1  -4.396   5.842  -0.656
    5   1HB   HIS   1          2HB       HIS   1  -5.556   6.786   1.977
    6   2HB   HIS   1          1HB       HIS   1  -4.235   5.635   1.804
    7    HD1  HIS   1           1HD      HIS   1  -2.214   6.814   0.139
    8    HD2  HIS   1           2HD      HIS   1  -4.586   9.228   2.549
    9    HE1  HIS   1           1HE      HIS   1  -0.927   8.957   0.417
   10    HE2  HIS   1           2HE      HIS   1  -2.424  10.436   1.803
   11    HA   PRO   2           HA       PRO   2  -8.083   3.122  -0.846
   12   1HB   PRO   2          2HB       PRO   2  -6.849   1.177  -2.294
   13   2HB   PRO   2          1HB       PRO   2  -7.579   2.610  -3.026
   14   1HG   PRO   2          2HG       PRO   2  -4.707   2.069  -2.374
   15   2HG   PRO   2          1HG       PRO   2  -5.405   2.806  -3.828
   16   1HD   PRO   2          2HD       PRO   2  -4.285   4.279  -1.862
   17   2HD   PRO   2          1HD       PRO   2  -5.663   4.864  -2.815
   18    H    LEU   3           H        LEU   3  -8.531   1.878   0.847
   19    HA   LEU   3           HA       LEU   3  -6.481   0.792   2.504
   20   1HB   LEU   3          2HB       LEU   3  -8.322  -0.078   3.865
   21   2HB   LEU   3          1HB       LEU   3  -8.504   1.625   3.501
   22    HG   LEU   3           HG       LEU   3 -10.163   1.069   1.769
   23   1HD1  LEU   3          1HD1      LEU   3  -9.829  -1.025   0.948
   24   2HD1  LEU   3          2HD1      LEU   3 -11.102  -1.374   2.116
   25   3HD1  LEU   3          3HD1      LEU   3  -9.419  -1.700   2.525
   26   1HD2  LEU   3          1HD2      LEU   3 -10.577   0.215   4.604
   27   2HD2  LEU   3          2HD2      LEU   3 -11.886   0.088   3.429
   28   3HD2  LEU   3          3HD2      LEU   3 -11.159   1.658   3.773
   29    H    LYS   4           H        LYS   4  -7.924  -0.333  -0.310
   30    HA   LYS   4           HA       LYS   4  -7.851  -3.140   0.355
   31   1HB   LYS   4          2HB       LYS   4  -9.518  -2.310  -1.228
   32   2HB   LYS   4          1HB       LYS   4  -8.242  -1.742  -2.296
   33   1HG   LYS   4          2HG       LYS   4  -7.502  -4.043  -2.642
   34   2HG   LYS   4          1HG       LYS   4  -8.781  -4.614  -1.568
   35   1HD   LYS   4          2HD       LYS   4 -10.464  -3.684  -3.083
   36   2HD   LYS   4          1HD       LYS   4  -9.184  -3.113  -4.155
   37   1HE   LYS   4          2HE       LYS   4  -8.453  -5.421  -4.509
   38   2HE   LYS   4          1HE       LYS   4  -9.731  -5.992  -3.437
   39   1HZ   LYS   4          1HZ       LYS   4 -10.000  -5.838  -6.069
   40   2HZ   LYS   4          2HZ       LYS   4 -10.573  -4.304  -5.649
   41   3HZ   LYS   4          3HZ       LYS   4 -11.303  -5.685  -5.001
   42    H    GLN   5           H        GLN   5  -5.625  -0.806  -0.753
   43    HA   GLN   5           HA       GLN   5  -3.857  -2.821  -1.919
   44   1HB   GLN   5          2HB       GLN   5  -4.159  -0.751  -3.183
   45   2HB   GLN   5          1HB       GLN   5  -3.608   0.189  -1.802
   46   1HG   GLN   5          2HG       GLN   5  -1.407  -0.854  -1.966
   47   2HG   GLN   5          1HG       GLN   5  -1.959  -1.798  -3.349
   48   1HE2  GLN   5          1HE2      GLN   5  -0.227   0.818  -2.505
   49   2HE2  GLN   5          2HE2      GLN   5  -0.391   1.770  -3.938
   50    H    TYR   6           H        TYR   6  -3.088  -3.935  -0.152
   51    HA   TYR   6           HA       TYR   6  -2.116  -2.660   2.202
   52   1HB   TYR   6          2HB       TYR   6  -1.626  -5.458   1.160
   53   2HB   TYR   6          1HB       TYR   6  -1.232  -4.896   2.779
   54    HD1  TYR   6           1HD      TYR   6  -2.720  -7.155   2.958
   55    HD2  TYR   6           2HD      TYR   6  -4.202  -3.282   1.994
   56    HE1  TYR   6           1HE      TYR   6  -4.956  -7.821   3.731
   57    HE2  TYR   6           2HE      TYR   6  -6.439  -3.942   2.764
   58    HH   TYR   6           HH       TYR   6  -7.749  -5.925   3.138
   59    H    TRP   7           H        TRP   7  -0.821  -3.012  -0.893
   60    HA   TRP   7           HA       TRP   7   1.261  -2.851  -1.809
   61   1HB   TRP   7          2HB       TRP   7   2.551  -0.918  -1.006
   62   2HB   TRP   7          1HB       TRP   7   0.842  -0.539  -1.156
   63    HD1  TRP   7           HD       TRP   7   3.094  -1.839   1.746
   64    HE1  TRP   7           1HE      TRP   7   2.469  -0.522   3.867
   65    HE3  TRP   7           3HE      TRP   7  -0.577   1.141  -0.199
   66    HZ2  TRP   7           2HZ      TRP   7   0.660   1.512   4.617
   67    HZ3  TRP   7           3HZ      TRP   7  -1.705   2.746   1.288
   68    HH2  TRP   7           HH       TRP   7  -1.098   2.926   3.646
   69    H    TRP   8           H        TRP   8   3.769  -2.376  -0.913
   70    HA   TRP   8           HA       TRP   8   4.414  -4.121   1.295
   71   1HB   TRP   8          2HB       TRP   8   4.094  -5.719  -0.546
   72   2HB   TRP   8          1HB       TRP   8   5.246  -4.831  -1.527
   73    HD1  TRP   8           HD       TRP   8   6.213  -7.524  -1.487
   74    HE1  TRP   8           1HE      TRP   8   8.084  -8.470  -0.003
   75    HE3  TRP   8           3HE      TRP   8   6.114  -4.066   2.308
   76    HZ2  TRP   8           2HZ      TRP   8   9.335  -7.862   2.440
   77    HZ3  TRP   8           3HZ      TRP   8   7.675  -4.342   4.177
   78    HH2  TRP   8           HH       TRP   8   9.249  -6.204   4.247
   79    H    ARG   9           H        ARG   9   6.619  -3.661  -1.367
   80    HA   ARG   9           HA       ARG   9   8.567  -2.423   0.208
   81   1HB   ARG   9          2HB       ARG   9   8.285  -2.379  -2.803
   82   2HB   ARG   9          1HB       ARG   9   9.733  -1.941  -1.910
   83   1HG   ARG   9          2HG       ARG   9   8.436  -4.658  -1.941
   84   2HG   ARG   9          1HG       ARG   9   9.893  -4.189  -2.819
   85   1HD   ARG   9          2HD       ARG   9  11.017  -3.718  -0.698
   86   2HD   ARG   9          1HD       ARG   9   9.560  -4.185   0.179
   87    HE   ARG   9           HE       ARG   9  10.307  -6.311  -1.475
   88   1HH1  ARG   9          1HH1      ARG   9  11.485  -4.612   1.336
   89   2HH1  ARG   9          2HH1      ARG   9  12.307  -5.993   1.980
   90   1HH2  ARG   9          1HH2      ARG   9  11.387  -8.128  -0.630
   91   2HH2  ARG   9          2HH2      ARG   9  12.252  -7.990   0.864
   92    HA   PRO  10           HA       PRO  10   7.138   1.765  -1.596
   93   1HB   PRO  10          2HB       PRO  10   4.640   1.523  -2.977
   94   2HB   PRO  10          1HB       PRO  10   6.223   1.895  -3.659
   95   1HG   PRO  10          2HG       PRO  10   4.812  -0.423  -4.151
   96   2HG   PRO  10          1HG       PRO  10   6.566  -0.253  -4.334
   97   1HD   PRO  10          2HD       PRO  10   5.000  -1.429  -2.070
   98   2HD   PRO  10          1HD       PRO  10   6.517  -1.991  -2.800
   99    H    SER  11           H        SER  11   6.588   2.686   0.295
  100    HA   SER  11           HA       SER  11   4.033   2.018   1.541
  101   1HB   SER  11          2HB       SER  11   6.347   3.672   2.574
  102   2HB   SER  11          1HB       SER  11   4.899   3.262   3.493
  103    HG   SER  11           HG       SER  11   6.839   1.465   2.465
  104    H    ILE  12           H        ILE  12   5.548   4.530  -0.251
  105    HA   ILE  12           HA       ILE  12   3.154   6.205   0.115
  106    HB   ILE  12           HB       ILE  12   5.998   7.196  -0.151
  107   1HG1  ILE  12          2HG1      ILE  12   5.483   6.364   2.093
  108   2HG1  ILE  12          1HG1      ILE  12   5.637   8.118   2.104
  109   1HG2  ILE  12          1HG2      ILE  12   3.379   8.512  -0.484
  110   2HG2  ILE  12          2HG2      ILE  12   4.951   8.917  -1.173
  111   3HG2  ILE  12          3HG2      ILE  12   4.568   9.385   0.484
  112   1HD1  ILE  12          1HD1      ILE  12   3.045   6.591   2.067
  113   2HD1  ILE  12          2HD1      ILE  12   3.221   8.345   2.128
  114   3HD1  ILE  12          3HD1      ILE  12   3.775   7.355   3.477