*HEADER    NEUROPEPTIDE                            15-SEP-99   1D1E              
*TITLE     SOLUTION STRUCTURE OF LACTAM-BRIDGED C-TERMINAL ANALOGUE-II           
*TITLE    2 OF NEUROPEPTIDE Y                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: C-TERMINAL ANALOGUE OF NEUROPEPTIDE Y, A POTENT            
*COMPND   3 Y2 RECEPTOR AGONIST;                                                 
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: C-TERMINAL ANALOGUE;                                       
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES;                                                       
*COMPND   8 OTHER_DETAILS: SYNTHETIC WITH MUTATION I28K, T32E AND A              
*COMPND   9 LACTAM-BRIDGE WAS INTRODUCED BETWEEN POSITIONS (28) AND              
*COMPND  10 (32)                                                                 
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED.                               
*KEYWDS    LACTAM-BRIDGE, HELIX                                                  
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    S.YAO, R.S.NORTON                                                     
*REVDAT   1   16-JUN-00 1D1E    0                                                





!25A ACE
assign (resid 25A and name  HA#) (resid 25 and name   HN) 0.00 0  4.80
assign (resid 25A and name  HA#) (resid 26 and name   HN) 0.00 0  5.90
!25 ARG
assign (resid 25 and name   HN) (resid 25 and name  HG2) 0.00 0  6.40
assign (resid 25 and name   HN) (resid 25 and name  HG1) 0.00 0  6.40
assign (resid 25 and name   HA) (resid 25 and name  HD#) 0.00 0  8.50
assign (resid 25 and name   HA) (resid 26 and name   HN) 0.00 0  3.60
!26 HIS
assign (resid 26 and name   HN) (resid 26 and name   HA) 0.00 0  2.90
!27 TYR
assign (resid 27 and name   HN) (resid 27 and name  HB2) 0.00 0  3.70
assign (resid 27 and name   HN) (resid 27 and name  HB1) 0.00 0  3.70
assign (resid 27 and name   HN) (resid 28 and name   HN) 0.00 0  4.20
assign (resid 27 and name   HA) (resid 28 and name   HN) 0.00 0  2.90
assign (resid 27 and name  HB2) (resid 28 and name   HN) 0.00 0  4.20
assign (resid 27 and name  HB1) (resid 28 and name   HN) 0.00 0  4.20
assign (resid 27 and name  HB#) (resid 28 and name   HN) 0.00 0  4.01
assign (resid 27 and name  HB#) (resid 29 and name   HN) 0.00 0  5.28
assign (resid 27 and name  HD#) (resid 28 and name   HN) 0.00 0  9.20
!28 LYS
assign (resid 28 and name   HN) (resid 28 and name  HB2) 0.00 0  3.60
assign (resid 28 and name   HN) (resid 28 and name  HB1) 0.00 0  3.60
assign (resid 28 and name   HN) (resid 28 and name  HG2) 0.00 0  5.30
assign (resid 28 and name   HN) (resid 28 and name  HG1) 0.00 0  5.30
assign (resid 28 and name   HN) (resid 28 and name  HG#) 0.00 0  5.08
assign (resid 28 and name   HN) (resid 28 and name  HE#) 0.00 0  7.58
assign (resid 28 and name   HN) (resid 29 and name   HN) 0.00 0  3.30
assign (resid 28 and name   HA) (resid 28 and name  HD#) 0.00 0  6.20
assign (resid 28 and name   HA) (resid 28 and name  HZ1) 0.00 0  6.10
assign (resid 28 and name   HA) (resid 31 and name HG1#) 0.00 0  7.38
assign (resid 28 and name  HB2) (resid 28 and name  HE2) 0.00 0  6.20
assign (resid 28 and name  HB2) (resid 28 and name  HE1) 0.00 0  6.20
assign (resid 28 and name  HB1) (resid 28 and name  HE2) 0.00 0  6.20
assign (resid 28 and name  HB1) (resid 28 and name  HE1) 0.00 0  6.20
assign (resid 28 and name  HB#) (resid 28 and name  HE#) 0.00 0  5.51
assign (resid 28 and name  HB#) (resid 29 and name   HN) 0.00 0  4.98
assign (resid 28 and name  HG2) (resid 28 and name  HZ1) 0.00 0  4.60
assign (resid 28 and name  HG2) (resid 29 and name   HN) 0.00 0  5.60
assign (resid 28 and name  HG2) (resid 32 and name  HG#) 0.00 0  8.10
assign (resid 28 and name  HG1) (resid 28 and name  HZ1) 0.00 0  4.60
assign (resid 28 and name  HG1) (resid 29 and name   HN) 0.00 0  5.60
assign (resid 28 and name  HG1) (resid 32 and name  HG#) 0.00 0  8.10
assign (resid 28 and name  HG#) (resid 28 and name  HZ1) 0.00 0  4.41
assign (resid 28 and name  HG#) (resid 29 and name   HN) 0.00 0  5.43
assign (resid 28 and name  HG#) (resid 29 and name   HA) 0.00 0  6.58
assign (resid 28 and name  HG#) (resid 29 and name HD2#) 0.00 0  8.34
assign (resid 28 and name  HG#) (resid 32 and name  HG#) 0.00 0  7.85
assign (resid 28 and name  HD#) (resid 32 and name  HG#) 0.00 0  9.60
assign (resid 28 and name   NZ) (resid 32 and name   CD) 0.00 0  1.30
assign (resid 28 and name  HZ1) (resid 32 and name   HN) 0.00 0  7.30
assign (resid 28 and name  HZ1) (resid 32 and name  HB2) 0.00 0  6.40
assign (resid 28 and name  HZ1) (resid 32 and name  HB1) 0.00 0  6.40
assign (resid 28 and name  HZ1) (resid 32 and name  HB#) 0.00 0  6.14
assign (resid 28 and name  HZ1) (resid 32 and name  HG#) 0.00 0  5.00
!29 ASN
assign (resid 29 and name   HN) (resid 29 and name   HA) 0.00 0  2.90
assign (resid 29 and name   HN) (resid 29 and name  HB2) 0.00 0  3.80
assign (resid 29 and name   HN) (resid 29 and name  HB1) 0.00 0  3.80
assign (resid 29 and name   HN) (resid 29 and name  HB#) 0.00 0  3.55
assign (resid 29 and name   HN) (resid 31 and name HG1#) 0.00 0  7.58
assign (resid 29 and name   HN) (resid 32 and name  HB2) 0.00 0  4.60
assign (resid 29 and name   HN) (resid 32 and name  HB1) 0.00 0  4.60
assign (resid 29 and name   HN) (resid 32 and name  HB#) 0.00 0  4.41
assign (resid 29 and name   HA) (resid 30 and name   HN) 0.00 0  3.40
assign (resid 29 and name   HA) (resid 31 and name   HN) 0.00 0  4.10
assign (resid 29 and name   HA) (resid 32 and name   HN) 0.00 0  4.00
assign (resid 29 and name   HA) (resid 32 and name  HB2) 0.00 0  4.30
assign (resid 29 and name   HA) (resid 32 and name  HB1) 0.00 0  4.30
assign (resid 29 and name   HA) (resid 32 and name  HB#) 0.00 0  4.06
assign (resid 29 and name   HA) (resid 32 and name  HG#) 0.00 0  8.40
assign (resid 29 and name  HB2) (resid 30 and name   HN) 0.00 0  4.00
assign (resid 29 and name  HB1) (resid 30 and name   HN) 0.00 0  4.00
assign (resid 29 and name  HB#) (resid 30 and name   HN) 0.00 0  3.80
!30 LEU
assign (resid 30 and name   HN) (resid 30 and name   HG) 0.00 0  3.90
assign (resid 30 and name   HN) (resid 30 and name HD1#) 0.00 0  9.00
assign (resid 30 and name   HN) (resid 30 and name HD2#) 0.00 0  9.00
assign (resid 30 and name   HN) (resid 30 and name  HD#) 0.00 0  8.27
assign (resid 30 and name   HN) (resid 31 and name   HN) 0.00 0  3.10
assign (resid 30 and name  HB#) (resid 31 and name   HN) 0.00 0  4.80
assign (resid 30 and name   HG) (resid 31 and name   HN) 0.00 0  4.90
!31 ILE
assign (resid 31 and name   HN) (resid 31 and name   HB) 0.00 0  3.40
assign (resid 31 and name   HN) (resid 31 and name HG12) 0.00 0  4.60
assign (resid 31 and name   HN) (resid 31 and name HG11) 0.00 0  4.60
assign (resid 31 and name   HN) (resid 31 and name HG1#) 0.00 0  4.41
assign (resid 31 and name   HN) (resid 31 and name HD1#) 0.00 0  7.90
assign (resid 31 and name   HN) (resid 32 and name   HN) 0.00 0  2.90
assign (resid 31 and name   HA) (resid 32 and name   HN) 0.00 0  3.30
assign (resid 31 and name   HA) (resid 34 and name   HN) 0.00 0  3.80
assign (resid 31 and name   HA) (resid 34 and name  HB#) 0.00 0  5.30
assign (resid 31 and name   HA) (resid 35 and name   HN) 0.00 0  4.30
assign (resid 31 and name   HB) (resid 32 and name   HN) 0.00 0  3.70
assign (resid 31 and name HG2#) (resid 32 and name   HN) 0.00 0  6.50
assign (resid 31 and name HG2#) (resid 34 and name   HN) 0.00 0  9.00
assign (resid 31 and name HD1#) (resid 32 and name   HN) 0.00 0  9.00
!32 GLU
assign (resid 32 and name   HN) (resid 32 and name   HA) 0.00 0  2.90
assign (resid 32 and name   HN) (resid 32 and name  HB2) 0.00 0  3.80
assign (resid 32 and name   HN) (resid 32 and name  HB1) 0.00 0  3.80
assign (resid 32 and name   HN) (resid 32 and name  HB#) 0.00 0  3.55
assign (resid 32 and name   HN) (resid 32 and name  HG#) 0.00 0  5.60
assign (resid 32 and name   HA) (resid 33 and name   HN) 0.00 0  3.50
assign (resid 32 and name  HB2) (resid 33 and name   HN) 0.00 0  4.00
assign (resid 32 and name  HB1) (resid 33 and name   HN) 0.00 0  4.00
assign (resid 32 and name  HG#) (resid 33 and name   HN) 0.00 0  7.70
assign (resid 32 and name  HG#) (resid 36 and name  HD#) 0.00 0 11.20
!33 ARG
assign (resid 33 and name   HN) (resid 33 and name  HB2) 0.00 0  3.50
assign (resid 33 and name   HN) (resid 33 and name  HB1) 0.00 0  3.50
assign (resid 33 and name   HN) (resid 33 and name  HG#) 0.00 0  6.60
assign (resid 33 and name   HN) (resid 34 and name   HN) 0.00 0  3.10
assign (resid 33 and name   HA) (resid 33 and name  HD#) 0.00 0  7.10
assign (resid 33 and name   HA) (resid 34 and name   HN) 0.00 0  3.40
assign (resid 33 and name   HA) (resid 35 and name   HN) 0.00 0  4.90
assign (resid 33 and name   HA) (resid 36 and name   HN) 0.00 0  4.50
assign (resid 33 and name  HB2) (resid 34 and name   HN) 0.00 0  4.20
assign (resid 33 and name  HB1) (resid 34 and name   HN) 0.00 0  4.20
assign (resid 33 and name  HB#) (resid 34 and name   HN) 0.00 0  3.91
assign (resid 33 and name  HG#) (resid 34 and name   HN) 0.00 0  7.70
!34 GLN
assign (resid 34 and name   HN) (resid 34 and name  HG2) 0.00 0  5.60
assign (resid 34 and name   HN) (resid 34 and name  HG1) 0.00 0  5.60
assign (resid 34 and name   HN) (resid 34 and name  HG#) 0.00 0  5.33
assign (resid 34 and name   HA) (resid 36 and name  HD#) 0.00 0  8.40
!35 ARG
assign (resid 35 and name   HN) (resid 35 and name  HB2) 0.00 0  3.80
assign (resid 35 and name   HN) (resid 35 and name  HB1) 0.00 0  3.80
assign (resid 35 and name   HN) (resid 35 and name  HB#) 0.00 0  3.60
assign (resid 35 and name   HN) (resid 35 and name  HG2) 0.00 0  5.70
assign (resid 35 and name   HN) (resid 35 and name  HG1) 0.00 0  5.70
assign (resid 35 and name   HN) (resid 36 and name   HN) 0.00 0  3.40
assign (resid 35 and name   HA) (resid 35 and name  HD#) 0.00 0  6.60
assign (resid 35 and name   HA) (resid 36 and name   HN) 0.00 0  3.20
assign (resid 35 and name  HB2) (resid 36 and name   HN) 0.00 0  4.20
assign (resid 35 and name  HB1) (resid 36 and name   HN) 0.00 0  4.20
!36 TYR
assign (resid 36 and name   HN) (resid 36 and name  HB2) 0.00 0  4.10
assign (resid 36 and name   HN) (resid 36 and name  HB1) 0.00 0  4.10
assign (resid 36 and name   HN) (resid 36 and name  HB#) 0.00 0  3.76
assign (resid 36 and name   HN) (resid 36 and name   H1) 0.00 0  5.20
assign (resid 36 and name   HN) (resid 36 and name   H2) 0.00 0  5.30


restraints dihedral

                reset

      assign (resid 27 and name c) (resid 28 and name n)
             (resid 28 and name ca) (resid 28 and name c)  1  -60.0   40.0  2
      assign (resid 28 and name c) (resid 29 and name n)
             (resid 29 and name ca) (resid 29 and name c)  1  -60.0   40.0  2
      assign (resid 30 and name c) (resid 31 and name n)
             (resid 31 and name ca) (resid 31 and name c)  1  -60.0   40.0  2
      assign (resid 31 and name c) (resid 32 and name n)
             (resid 32 and name ca) (resid 32 and name c)  1  -60.0   40.0  2
      assign (resid 32 and name c) (resid 33 and name n)
             (resid 33 and name ca) (resid 33 and name c)  1  -60.0   40.0  2
      assign (resid 33 and name c) (resid 34 and name n)
             (resid 34 and name ca) (resid 34 and name c)  1  -60.0   30.0  2
      assign (resid 34 and name c) (resid 35 and name n)
             (resid 35 and name ca) (resid 35 and name c)  1  -60.0   40.0  2
      assign (resid 35 and name c) (resid 36 and name n)
             (resid 36 and name ca) (resid 36 and name c)  1 -120.0   40.0  2
end









  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ACE  25          1HA       ACE  25   7.816  12.314  -4.568
    2   2H    ACE  25          2HA       ACE  25   8.772  13.049  -5.851
    3   3H    ACE  25          3HA       ACE  25   9.552  12.007  -4.653
    4    H    ARG  25           H        ARG  25  10.030  10.066  -5.508
    5    HA   ARG  25           HA       ARG  25   8.192   8.883  -7.566
    6   1HB   ARG  25          2HB       ARG  25  10.209   7.698  -8.390
    7   2HB   ARG  25          1HB       ARG  25  10.404   9.433  -8.477
    8   1HG   ARG  25          2HG       ARG  25  11.671   9.213  -6.161
    9   2HG   ARG  25          1HG       ARG  25  11.572   7.482  -6.402
   10   1HD   ARG  25          2HD       ARG  25  13.706   8.242  -7.165
   11   2HD   ARG  25          1HD       ARG  25  12.794   7.750  -8.592
   12    HE   ARG  25           HE       ARG  25  12.108  10.233  -8.737
   13   1HH1  ARG  25          1HH2      ARG  25  15.185   9.221  -7.521
   14   2HH1  ARG  25          2HH2      ARG  25  15.989  10.678  -7.933
   15   1HH2  ARG  25          2HH1      ARG  25  13.085  12.145  -9.271
   16   2HH2  ARG  25          1HH1      ARG  25  14.742  12.394  -8.942
   17    H    HIS  26           H        HIS  26   7.694   8.782  -4.932
   18    HA   HIS  26           HA       HIS  26   6.947   7.302  -3.293
   19   1HB   HIS  26          2HB       HIS  26   8.022   5.072  -5.149
   20   2HB   HIS  26          1HB       HIS  26   7.010   4.822  -3.746
   21    HD1  HIS  26           HD1      HIS  26   6.817   6.751  -6.989
   22    HD2  HIS  26           HD2      HIS  26   4.402   4.868  -4.186
   23    HE1  HIS  26           HE1      HIS  26   4.447   6.815  -7.785
   24    H    TYR  27           H        TYR  27   7.955   5.394  -1.910
   25    HA   TYR  27           HA       TYR  27  10.851   5.925  -1.518
   26   1HB   TYR  27          2HB       TYR  27   8.803   5.317   0.654
   27   2HB   TYR  27          1HB       TYR  27  10.376   6.062   0.860
   28    HD1  TYR  27           HD1      TYR  27  10.711   8.367  -0.505
   29    HD2  TYR  27           HD2      TYR  27   6.922   6.773   0.622
   30    HE1  TYR  27           HE1      TYR  27   9.690  10.580  -0.778
   31    HE2  TYR  27           HE2      TYR  27   5.919   8.989   0.342
   32    HH   TYR  27           HH       TYR  27   7.528  11.749   0.275
   33    H    LYS  28           H        LYS  28  11.796   3.956  -2.011
   34    HA   LYS  28           HA       LYS  28  10.110   1.572  -2.216
   35   1HB   LYS  28          2HB       LYS  28  12.157   0.480  -3.016
   36   2HB   LYS  28          1HB       LYS  28  11.944   1.989  -3.871
   37   1HG   LYS  28          2HG       LYS  28  13.679   3.068  -2.542
   38   2HG   LYS  28          1HG       LYS  28  13.702   1.741  -1.405
   39   1HD   LYS  28          2HD       LYS  28  14.466   0.230  -3.340
   40   2HD   LYS  28          1HD       LYS  28  14.605   1.680  -4.318
   41   1HE   LYS  28          2HE       LYS  28  16.765   0.898  -3.147
   42   2HE   LYS  28          1HE       LYS  28  16.337   2.589  -2.868
   43   1HZ   LYS  28          HZ        LYS  28  15.387   1.923  -0.701
   44    H    ASN  29           H        ASN  29  11.524   3.122   0.226
   45    HA   ASN  29           HA       ASN  29  12.928   1.620   1.947
   46   1HB   ASN  29          2HB       ASN  29  10.349   3.080   2.706
   47   2HB   ASN  29          1HB       ASN  29  11.629   2.648   3.834
   48   1HD2  ASN  29          1HD2      ASN  29  12.895   4.536   4.245
   49   2HD2  ASN  29          2HD2      ASN  29  13.293   5.660   3.031
   50    H    LEU  30           H        LEU  30   9.553   1.336   1.534
   51    HA   LEU  30           HA       LEU  30   8.602  -0.583   3.180
   52   1HB   LEU  30          2HB       LEU  30   8.157  -0.546   0.158
   53   2HB   LEU  30          1HB       LEU  30   7.092  -1.313   1.315
   54    HG   LEU  30           HG       LEU  30   7.751   1.690   1.456
   55   1HD1  LEU  30          1HD1      LEU  30   5.601   2.074   0.318
   56   2HD1  LEU  30          2HD1      LEU  30   5.387   0.344   0.092
   57   3HD1  LEU  30          3HD1      LEU  30   6.692   1.186  -0.725
   58   1HD2  LEU  30          1HD2      LEU  30   5.711   1.749   2.831
   59   2HD2  LEU  30          2HD2      LEU  30   6.825   0.609   3.547
   60   3HD2  LEU  30          3HD2      LEU  30   5.458   0.029   2.614
   61    H    ILE  31           H        ILE  31  10.461  -1.283   0.347
   62    HA   ILE  31           HA       ILE  31  10.680  -4.147   1.134
   63    HB   ILE  31           HB       ILE  31  11.550  -2.774  -1.466
   64   1HG1  ILE  31          2HG1      ILE  31   9.101  -2.547  -1.244
   65   2HG1  ILE  31          1HG1      ILE  31   9.470  -3.709  -2.491
   66   1HG2  ILE  31          1HG2      ILE  31  11.567  -5.074  -2.413
   67   2HG2  ILE  31          2HG2      ILE  31  11.155  -5.733  -0.839
   68   3HG2  ILE  31          3HG2      ILE  31  12.694  -4.933  -1.079
   69   1HD1  ILE  31          1HD1      ILE  31   9.008  -5.585  -0.884
   70   2HD1  ILE  31          2HD1      ILE  31   7.629  -4.526  -1.050
   71   3HD1  ILE  31          3HD1      ILE  31   8.638  -4.419   0.372
   72    H    GLU  32           H        GLU  32  12.459  -1.394   0.304
   73    HA   GLU  32           HA       GLU  32  15.132  -2.159   0.444
   74   1HB   GLU  32          2HB       GLU  32  14.077   0.318   0.329
   75   2HB   GLU  32          1HB       GLU  32  14.397   0.284   2.062
   76   1HG   GLU  32          2HG       GLU  32  16.432   1.194   1.275
   77   2HG   GLU  32          1HG       GLU  32  16.851  -0.514   1.307
   78    H    ARG  33           H        ARG  33  12.926  -1.852   3.114
   79    HA   ARG  33           HA       ARG  33  15.044  -2.558   5.048
   80   1HB   ARG  33          2HB       ARG  33  12.308  -1.327   5.286
   81   2HB   ARG  33          1HB       ARG  33  12.852  -2.296   6.627
   82   1HG   ARG  33          2HG       ARG  33  15.071  -0.751   6.372
   83   2HG   ARG  33          1HG       ARG  33  13.939   0.315   5.562
   84   1HD   ARG  33          2HD       ARG  33  12.459   0.326   7.563
   85   2HD   ARG  33          1HD       ARG  33  13.504  -0.811   8.388
   86    HE   ARG  33           HE       ARG  33  14.276   1.965   7.558
   87   1HH1  ARG  33          1HH2      ARG  33  14.652  -0.698   9.807
   88   2HH1  ARG  33          2HH2      ARG  33  15.703   0.168  10.831
   89   1HH2  ARG  33          2HH1      ARG  33  15.658   3.081   8.911
   90   2HH2  ARG  33          1HH1      ARG  33  16.307   2.336  10.308
   91    H    GLN  34           H        GLN  34  12.010  -3.800   3.882
   92    HA   GLN  34           HA       GLN  34  11.899  -6.041   5.693
   93   1HB   GLN  34          2HB       GLN  34  10.759  -5.708   2.880
   94   2HB   GLN  34          1HB       GLN  34  10.597  -7.221   3.751
   95   1HG   GLN  34          2HG       GLN  34   9.674  -5.693   5.732
   96   2HG   GLN  34          1HG       GLN  34   9.408  -4.519   4.451
   97   1HE2  GLN  34          1HE2      GLN  34   7.943  -7.136   6.026
   98   2HE2  GLN  34          2HE2      GLN  34   6.798  -7.488   4.821
   99    H    ARG  35           H        ARG  35  13.824  -5.440   2.924
  100    HA   ARG  35           HA       ARG  35  14.678  -8.290   2.782
  101   1HB   ARG  35          2HB       ARG  35  14.427  -6.556   0.829
  102   2HB   ARG  35          1HB       ARG  35  16.002  -5.979   1.340
  103   1HG   ARG  35          2HG       ARG  35  16.839  -8.411   1.214
  104   2HG   ARG  35          1HG       ARG  35  15.317  -8.815   0.446
  105   1HD   ARG  35          2HD       ARG  35  15.946  -6.917  -1.282
  106   2HD   ARG  35          1HD       ARG  35  17.527  -7.009  -0.561
  107    HE   ARG  35           HE       ARG  35  17.723  -9.342  -1.176
  108   1HH1  ARG  35          1HH2      ARG  35  15.012  -7.665  -2.560
  109   2HH1  ARG  35          2HH2      ARG  35  14.784  -8.796  -3.820
  110   1HH2  ARG  35          2HH1      ARG  35  17.460 -10.838  -2.817
  111   2HH2  ARG  35          1HH1      ARG  35  16.213 -10.653  -3.964
  112    H    TYR  36           H        TYR  36  15.032  -6.306   5.029
  113    HA   TYR  36           HA       TYR  36  17.886  -6.890   5.557
  114   1HB   TYR  36          2HB       TYR  36  17.337  -4.374   4.878
  115   2HB   TYR  36          1HB       TYR  36  16.562  -4.281   6.454
  116    HD1  TYR  36           HD1      TYR  36  19.701  -5.437   4.819
  117    HD2  TYR  36           HD2      TYR  36  17.977  -3.816   8.363
  118    HE1  TYR  36           HE1      TYR  36  21.919  -5.244   5.798
  119    HE2  TYR  36           HE2      TYR  36  20.220  -3.623   9.347
  120    HH   TYR  36           HH       TYR  36  23.084  -4.847   7.741
  121   1HT   TYR  36          1HT       TYR  36  18.151  -6.484   8.144
  122   2HT   TYR  36          2HT       TYR  36  16.863  -7.123   9.052
  Start of MODEL    2
    1   1H    ACE  25          1HA       ACE  25   2.251  -3.390  -4.366
    2   2H    ACE  25          2HA       ACE  25   1.342  -3.006  -2.901
    3   3H    ACE  25          3HA       ACE  25   2.236  -4.517  -3.004
    4    H    ARG  25           H        ARG  25   4.153  -2.276  -4.465
    5    HA   ARG  25           HA       ARG  25   5.566  -1.649  -1.892
    6   1HB   ARG  25          2HB       ARG  25   7.668  -1.676  -3.290
    7   2HB   ARG  25          1HB       ARG  25   6.899  -3.243  -3.099
    8   1HG   ARG  25          2HG       ARG  25   5.965  -3.144  -5.355
    9   2HG   ARG  25          1HG       ARG  25   6.395  -1.447  -5.524
   10   1HD   ARG  25          2HD       ARG  25   8.776  -1.976  -5.493
   11   2HD   ARG  25          1HD       ARG  25   8.427  -3.652  -5.090
   12    HE   ARG  25           HE       ARG  25   7.518  -2.338  -7.641
   13   1HH1  ARG  25          1HH2      ARG  25   8.964  -5.039  -6.010
   14   2HH1  ARG  25          2HH2      ARG  25   9.093  -6.003  -7.414
   15   1HH2  ARG  25          2HH1      ARG  25   7.675  -3.550  -9.492
   16   2HH2  ARG  25          1HH1      ARG  25   8.340  -5.120  -9.441
   17    H    HIS  26           H        HIS  26   3.844   0.111  -2.353
   18    HA   HIS  26           HA       HIS  26   3.824   2.168  -4.067
   19   1HB   HIS  26          2HB       HIS  26   3.924   2.556  -1.039
   20   2HB   HIS  26          1HB       HIS  26   3.224   3.680  -2.192
   21    HD1  HIS  26           HD1      HIS  26   1.374   2.293  -3.849
   22    HD2  HIS  26           HD2      HIS  26   2.083   0.941   0.023
   23    HE1  HIS  26           HE1      HIS  26  -0.524   0.855  -3.124
   24    H    TYR  27           H        TYR  27   6.346   2.058  -1.582
   25    HA   TYR  27           HA       TYR  27   7.857   4.114  -3.106
   26   1HB   TYR  27          2HB       TYR  27   6.852   4.223  -0.396
   27   2HB   TYR  27          1HB       TYR  27   8.583   4.079  -0.256
   28    HD1  TYR  27           HD1      TYR  27   6.176   5.877  -2.514
   29    HD2  TYR  27           HD2      TYR  27   9.674   6.147  -0.091
   30    HE1  TYR  27           HE1      TYR  27   6.366   8.246  -3.046
   31    HE2  TYR  27           HE2      TYR  27   9.857   8.519  -0.634
   32    HH   TYR  27           HH       TYR  27   7.364  10.269  -2.206
   33    H    LYS  28           H        LYS  28  10.110   4.005  -1.620
   34    HA   LYS  28           HA       LYS  28  11.328   1.493  -2.598
   35   1HB   LYS  28          2HB       LYS  28  12.467   3.663  -3.051
   36   2HB   LYS  28          1HB       LYS  28  12.623   3.985  -1.340
   37   1HG   LYS  28          2HG       LYS  28  13.909   1.660  -1.291
   38   2HG   LYS  28          1HG       LYS  28  14.012   1.874  -3.028
   39   1HD   LYS  28          2HD       LYS  28  15.118   4.056  -2.716
   40   2HD   LYS  28          1HD       LYS  28  14.992   3.901  -0.975
   41   1HE   LYS  28          2HE       LYS  28  16.677   2.232  -2.877
   42   2HE   LYS  28          1HE       LYS  28  17.216   3.182  -1.499
   43   1HZ   LYS  28          HZ        LYS  28  15.680   0.634  -1.338
   44    H    ASN  29           H        ASN  29  11.920   3.313   0.440
   45    HA   ASN  29           HA       ASN  29  12.947   1.602   2.153
   46   1HB   ASN  29          2HB       ASN  29  10.495   3.317   2.658
   47   2HB   ASN  29          1HB       ASN  29  11.167   2.350   3.961
   48   1HD2  ASN  29          1HD2      ASN  29  12.749   3.507   5.163
   49   2HD2  ASN  29          2HD2      ASN  29  13.712   4.726   4.473
   50    H    LEU  30           H        LEU  30   9.589   1.360   1.526
   51    HA   LEU  30           HA       LEU  30   8.558  -0.617   3.028
   52   1HB   LEU  30          2HB       LEU  30   8.271  -0.289   0.019
   53   2HB   LEU  30          1HB       LEU  30   7.391  -1.528   0.879
   54    HG   LEU  30           HG       LEU  30   6.375   0.209   2.347
   55   1HD1  LEU  30          1HD1      LEU  30   8.031   2.023   2.178
   56   2HD1  LEU  30          2HD1      LEU  30   6.486   2.606   1.626
   57   3HD1  LEU  30          3HD1      LEU  30   7.719   2.173   0.450
   58   1HD2  LEU  30          1HD2      LEU  30   5.178  -0.637   0.390
   59   2HD2  LEU  30          2HD2      LEU  30   5.975   0.522  -0.650
   60   3HD2  LEU  30          3HD2      LEU  30   4.824   1.072   0.567
   61    H    ILE  31           H        ILE  31  10.590  -1.242   0.297
   62    HA   ILE  31           HA       ILE  31  10.731  -4.129   1.078
   63    HB   ILE  31           HB       ILE  31  11.715  -2.768  -1.482
   64   1HG1  ILE  31          2HG1      ILE  31   9.248  -2.678  -1.324
   65   2HG1  ILE  31          1HG1      ILE  31   9.763  -3.739  -2.610
   66   1HG2  ILE  31          1HG2      ILE  31  11.456  -5.737  -0.815
   67   2HG2  ILE  31          2HG2      ILE  31  12.956  -4.857  -1.011
   68   3HG2  ILE  31          3HG2      ILE  31  11.896  -5.082  -2.387
   69   1HD1  ILE  31          1HD1      ILE  31   9.329  -5.737  -1.142
   70   2HD1  ILE  31          2HD1      ILE  31   7.898  -4.747  -1.317
   71   3HD1  ILE  31          3HD1      ILE  31   8.830  -4.663   0.157
   72    H    GLU  32           H        GLU  32  12.694  -1.515   0.191
   73    HA   GLU  32           HA       GLU  32  15.284  -2.483   0.538
   74   1HB   GLU  32          2HB       GLU  32  14.541  -0.087  -0.125
   75   2HB   GLU  32          1HB       GLU  32  14.426   0.248   1.586
   76   1HG   GLU  32          2HG       GLU  32  16.789   0.009   1.941
   77   2HG   GLU  32          1HG       GLU  32  17.021  -0.857   0.432
   78    H    ARG  33           H        ARG  33  12.960  -1.870   2.958
   79    HA   ARG  33           HA       ARG  33  14.892  -2.396   5.139
   80   1HB   ARG  33          2HB       ARG  33  13.418  -0.362   5.304
   81   2HB   ARG  33          1HB       ARG  33  12.001  -1.402   5.283
   82   1HG   ARG  33          2HG       ARG  33  12.700  -2.486   7.372
   83   2HG   ARG  33          1HG       ARG  33  14.237  -1.654   7.355
   84   1HD   ARG  33          2HD       ARG  33  13.079   0.513   7.714
   85   2HD   ARG  33          1HD       ARG  33  11.509  -0.293   7.696
   86    HE   ARG  33           HE       ARG  33  12.291  -1.675   9.603
   87   1HH1  ARG  33          1HH2      ARG  33  13.883   1.409   9.124
   88   2HH1  ARG  33          2HH2      ARG  33  14.417   1.501  10.740
   89   1HH2  ARG  33          2HH1      ARG  33  12.955  -1.540  11.657
   90   2HH2  ARG  33          1HH1      ARG  33  13.862  -0.200  12.229
   91    H    GLN  34           H        GLN  34  12.286  -3.991   3.526
   92    HA   GLN  34           HA       GLN  34  11.807  -5.890   5.754
   93   1HB   GLN  34          2HB       GLN  34  11.026  -6.145   2.784
   94   2HB   GLN  34          1HB       GLN  34  10.633  -7.334   3.995
   95   1HG   GLN  34          2HG       GLN  34   9.652  -4.740   4.920
   96   2HG   GLN  34          1HG       GLN  34   9.119  -5.043   3.276
   97   1HE2  GLN  34          1HE2      GLN  34   8.147  -5.635   6.441
   98   2HE2  GLN  34          2HE2      GLN  34   7.145  -6.972   6.107
   99    H    ARG  35           H        ARG  35  13.496  -5.976   2.647
  100    HA   ARG  35           HA       ARG  35  14.866  -8.487   3.561
  101   1HB   ARG  35          2HB       ARG  35  14.912  -7.124   0.873
  102   2HB   ARG  35          1HB       ARG  35  15.584  -8.695   1.249
  103   1HG   ARG  35          2HG       ARG  35  13.115  -9.288   2.076
  104   2HG   ARG  35          1HG       ARG  35  12.619  -7.914   1.124
  105   1HD   ARG  35          2HD       ARG  35  13.996 -10.444   0.108
  106   2HD   ARG  35          1HD       ARG  35  12.355  -9.952  -0.194
  107    HE   ARG  35           HE       ARG  35  13.139  -8.057  -1.518
  108   1HH1  ARG  35          1HH2      ARG  35  15.487 -10.513  -0.839
  109   2HH1  ARG  35          2HH2      ARG  35  16.498 -10.120  -2.156
  110   1HH2  ARG  35          2HH1      ARG  35  14.406  -7.508  -3.245
  111   2HH2  ARG  35          1HH1      ARG  35  15.874  -8.340  -3.548
  112    H    TYR  36           H        TYR  36  15.631  -6.841   5.051
  113    HA   TYR  36           HA       TYR  36  18.281  -5.742   4.166
  114   1HB   TYR  36          2HB       TYR  36  16.520  -3.956   4.810
  115   2HB   TYR  36          1HB       TYR  36  16.542  -4.597   6.440
  116    HD1  TYR  36           HD1      TYR  36  18.648  -3.096   3.792
  117    HD2  TYR  36           HD2      TYR  36  18.375  -3.993   7.944
  118    HE1  TYR  36           HE1      TYR  36  20.656  -1.774   4.205
  119    HE2  TYR  36           HE2      TYR  36  20.397  -2.658   8.354
  120    HH   TYR  36           HH       TYR  36  22.290  -1.269   5.755
  121   1HT   TYR  36          1HT       TYR  36  19.833  -5.684   6.255
  122   2HT   TYR  36          2HT       TYR  36  19.666  -7.027   7.287
  Start of MODEL    3
    1   1H    ACE  25          1HA       ACE  25   8.817  14.194  -7.278
    2   2H    ACE  25          2HA       ACE  25   7.977  13.371  -8.597
    3   3H    ACE  25          3HA       ACE  25   9.399  14.359  -8.944
    4    H    ARG  25           H        ARG  25   9.999  12.809  -6.100
    5    HA   ARG  25           HA       ARG  25  11.276  10.497  -7.503
    6   1HB   ARG  25          2HB       ARG  25  12.924  12.235  -6.653
    7   2HB   ARG  25          1HB       ARG  25  12.269  12.033  -5.040
    8   1HG   ARG  25          2HG       ARG  25  13.132   9.486  -6.395
    9   2HG   ARG  25          1HG       ARG  25  14.425  10.595  -6.037
   10   1HD   ARG  25          2HD       ARG  25  12.412   9.887  -3.882
   11   2HD   ARG  25          1HD       ARG  25  13.732   8.818  -4.216
   12    HE   ARG  25           HE       ARG  25  13.964  11.713  -3.411
   13   1HH1  ARG  25          1HH2      ARG  25  15.354   8.535  -3.584
   14   2HH1  ARG  25          2HH2      ARG  25  16.742   8.934  -2.664
   15   1HH2  ARG  25          2HH1      ARG  25  15.773  12.266  -2.197
   16   2HH2  ARG  25          1HH1      ARG  25  16.977  11.101  -1.847
   17    H    HIS  26           H        HIS  26  10.687   8.588  -6.692
   18    HA   HIS  26           HA       HIS  26   8.765   8.551  -4.463
   19   1HB   HIS  26          2HB       HIS  26   8.320   7.355  -6.720
   20   2HB   HIS  26          1HB       HIS  26   9.542   6.188  -6.236
   21    HD1  HIS  26           HD1      HIS  26   6.411   7.701  -4.737
   22    HD2  HIS  26           HD2      HIS  26   8.562   4.134  -4.793
   23    HE1  HIS  26           HE1      HIS  26   5.187   5.986  -3.412
   24    H    TYR  27           H        TYR  27   8.942   6.296  -3.136
   25    HA   TYR  27           HA       TYR  27  11.732   5.941  -2.263
   26   1HB   TYR  27          2HB       TYR  27  10.639   5.766   0.110
   27   2HB   TYR  27          1HB       TYR  27  10.799   7.364  -0.587
   28    HD1  TYR  27           HD1      TYR  27   8.786   8.436  -1.692
   29    HD2  TYR  27           HD2      TYR  27   8.422   4.847   0.572
   30    HE1  TYR  27           HE1      TYR  27   6.365   8.788  -1.510
   31    HE2  TYR  27           HE2      TYR  27   6.004   5.219   0.748
   32    HH   TYR  27           HH       TYR  27   4.220   6.603  -0.834
   33    H    LYS  28           H        LYS  28  12.287   3.922  -1.937
   34    HA   LYS  28           HA       LYS  28  10.334   1.747  -2.438
   35   1HB   LYS  28          2HB       LYS  28  12.329   0.413  -2.952
   36   2HB   LYS  28          1HB       LYS  28  12.314   1.870  -3.912
   37   1HG   LYS  28          2HG       LYS  28  13.963   2.893  -2.245
   38   2HG   LYS  28          1HG       LYS  28  13.974   1.367  -1.392
   39   1HD   LYS  28          2HD       LYS  28  14.680   0.315  -3.666
   40   2HD   LYS  28          1HD       LYS  28  14.950   1.962  -4.211
   41   1HE   LYS  28          2HE       LYS  28  17.042   0.913  -3.312
   42   2HE   LYS  28          1HE       LYS  28  16.586   2.322  -2.352
   43   1HZ   LYS  28          HZ        LYS  28  15.849  -0.490  -1.594
   44    H    ASN  29           H        ASN  29  11.834   3.189   0.111
   45    HA   ASN  29           HA       ASN  29  12.828   1.686   2.021
   46   1HB   ASN  29          2HB       ASN  29  11.717   3.934   2.437
   47   2HB   ASN  29          1HB       ASN  29  10.179   3.103   2.594
   48   1HD2  ASN  29          1HD2      ASN  29  12.795   4.238   4.396
   49   2HD2  ASN  29          2HD2      ASN  29  12.560   3.264   5.762
   50    H    LEU  30           H        LEU  30   9.403   1.438   1.804
   51    HA   LEU  30           HA       LEU  30   8.609  -0.499   3.441
   52   1HB   LEU  30          2HB       LEU  30   7.855  -0.623   0.493
   53   2HB   LEU  30          1HB       LEU  30   6.935  -1.282   1.818
   54    HG   LEU  30           HG       LEU  30   7.100   1.333   2.667
   55   1HD1  LEU  30          1HD1      LEU  30   6.733   2.812   0.690
   56   2HD1  LEU  30          2HD1      LEU  30   6.966   1.453  -0.388
   57   3HD1  LEU  30          3HD1      LEU  30   8.311   2.069   0.535
   58   1HD2  LEU  30          1HD2      LEU  30   5.051   0.210   0.711
   59   2HD2  LEU  30          2HD2      LEU  30   4.806   1.596   1.761
   60   3HD2  LEU  30          3HD2      LEU  30   5.021   0.003   2.453
   61    H    ILE  31           H        ILE  31  10.315  -1.250   0.534
   62    HA   ILE  31           HA       ILE  31  10.411  -4.149   1.247
   63    HB   ILE  31           HB       ILE  31  11.290  -2.791  -1.333
   64   1HG1  ILE  31          2HG1      ILE  31   8.860  -2.494  -1.042
   65   2HG1  ILE  31          1HG1      ILE  31   9.187  -3.613  -2.341
   66   1HG2  ILE  31          1HG2      ILE  31  11.214  -5.098  -2.278
   67   2HG2  ILE  31          2HG2      ILE  31  10.814  -5.740  -0.693
   68   3HG2  ILE  31          3HG2      ILE  31  12.372  -4.996  -0.964
   69   1HD1  ILE  31          1HD1      ILE  31   8.355  -4.421   0.494
   70   2HD1  ILE  31          2HD1      ILE  31   8.711  -5.535  -0.813
   71   3HD1  ILE  31          3HD1      ILE  31   7.346  -4.453  -0.933
   72    H    GLU  32           H        GLU  32  12.313  -1.471   0.508
   73    HA   GLU  32           HA       GLU  32  14.922  -2.622   0.537
   74   1HB   GLU  32          2HB       GLU  32  14.222  -0.252  -0.111
   75   2HB   GLU  32          1HB       GLU  32  14.222   0.131   1.599
   76   1HG   GLU  32          2HG       GLU  32  16.575   0.087   1.762
   77   2HG   GLU  32          1HG       GLU  32  16.742  -1.140   0.504
   78    H    ARG  33           H        ARG  33  12.796  -1.776   3.135
   79    HA   ARG  33           HA       ARG  33  14.908  -2.441   5.142
   80   1HB   ARG  33          2HB       ARG  33  13.454  -0.321   5.237
   81   2HB   ARG  33          1HB       ARG  33  12.089  -1.338   5.603
   82   1HG   ARG  33          2HG       ARG  33  14.399  -1.987   7.343
   83   2HG   ARG  33          1HG       ARG  33  14.021  -0.285   7.441
   84   1HD   ARG  33          2HD       ARG  33  12.051  -2.581   7.872
   85   2HD   ARG  33          1HD       ARG  33  12.799  -1.626   9.118
   86    HE   ARG  33           HE       ARG  33  11.671   0.382   8.303
   87   1HH1  ARG  33          1HH2      ARG  33  10.458  -2.611   7.092
   88   2HH1  ARG  33          2HH2      ARG  33   8.894  -2.009   6.740
   89   1HH2  ARG  33          2HH1      ARG  33   9.647   1.263   7.839
   90   2HH2  ARG  33          1HH1      ARG  33   8.446   0.270   7.153
   91    H    GLN  34           H        GLN  34  12.892  -4.031   3.315
   92    HA   GLN  34           HA       GLN  34  11.779  -5.979   5.262
   93   1HB   GLN  34          2HB       GLN  34  10.397  -5.189   3.225
   94   2HB   GLN  34          1HB       GLN  34  11.575  -5.965   2.180
   95   1HG   GLN  34          2HG       GLN  34  11.076  -8.164   3.116
   96   2HG   GLN  34          1HG       GLN  34   9.957  -7.455   4.273
   97   1HE2  GLN  34          1HE2      GLN  34   7.852  -7.870   3.527
   98   2HE2  GLN  34          2HE2      GLN  34   7.372  -7.792   1.897
   99    H    ARG  35           H        ARG  35  13.920  -5.750   2.515
  100    HA   ARG  35           HA       ARG  35  15.016  -8.429   2.746
  101   1HB   ARG  35          2HB       ARG  35  14.962  -7.119   0.586
  102   2HB   ARG  35          1HB       ARG  35  16.053  -5.938   1.290
  103   1HG   ARG  35          2HG       ARG  35  17.876  -7.488   1.379
  104   2HG   ARG  35          1HG       ARG  35  16.858  -8.873   1.053
  105   1HD   ARG  35          2HD       ARG  35  17.485  -6.614  -0.944
  106   2HD   ARG  35          1HD       ARG  35  18.188  -8.205  -0.928
  107    HE   ARG  35           HE       ARG  35  16.086  -9.212  -1.503
  108   1HH1  ARG  35          1HH2      ARG  35  16.034  -5.767  -1.543
  109   2HH1  ARG  35          2HH2      ARG  35  14.688  -5.637  -2.585
  110   1HH2  ARG  35          2HH1      ARG  35  14.305  -9.146  -2.817
  111   2HH2  ARG  35          1HH1      ARG  35  13.634  -7.655  -3.306
  112    H    TYR  36           H        TYR  36  15.401  -5.704   4.449
  113    HA   TYR  36           HA       TYR  36  17.873  -6.618   5.821
  114   1HB   TYR  36          2HB       TYR  36  17.158  -3.839   4.790
  115   2HB   TYR  36          1HB       TYR  36  18.146  -3.971   6.240
  116    HD1  TYR  36           HD1      TYR  36  20.129  -5.687   6.102
  117    HD2  TYR  36           HD2      TYR  36  18.300  -3.931   2.682
  118    HE1  TYR  36           HE1      TYR  36  22.116  -6.195   4.803
  119    HE2  TYR  36           HE2      TYR  36  20.321  -4.445   1.363
  120    HH   TYR  36           HH       TYR  36  23.234  -5.768   2.834
  121   1HT   TYR  36          1HT       TYR  36  15.854  -7.632   6.953
  122   2HT   TYR  36          2HT       TYR  36  15.210  -6.720   8.238
  Start of MODEL    4
    1   1H    ACE  25          1HA       ACE  25  -1.309  -0.611  -3.930
    2   2H    ACE  25          2HA       ACE  25  -1.059   0.567  -5.216
    3   3H    ACE  25          3HA       ACE  25  -2.369   0.792  -4.059
    4    H    ARG  25           H        ARG  25   0.128  -0.383  -2.319
    5    HA   ARG  25           HA       ARG  25   1.162   2.343  -1.633
    6   1HB   ARG  25          2HB       ARG  25   1.480   1.385   0.694
    7   2HB   ARG  25          1HB       ARG  25  -0.204   1.483   0.182
    8   1HG   ARG  25          2HG       ARG  25  -0.251  -0.942  -0.303
    9   2HG   ARG  25          1HG       ARG  25   1.477  -1.087  -0.020
   10   1HD   ARG  25          2HD       ARG  25   0.325  -1.870   1.971
   11   2HD   ARG  25          1HD       ARG  25   1.119  -0.373   2.356
   12    HE   ARG  25           HE       ARG  25  -1.010   0.820   2.030
   13   1HH1  ARG  25          1HH2      ARG  25  -1.203  -2.611   2.513
   14   2HH1  ARG  25          2HH2      ARG  25  -2.814  -2.589   3.066
   15   1HH2  ARG  25          2HH1      ARG  25  -3.123   0.903   2.741
   16   2HH2  ARG  25          1HH1      ARG  25  -3.935  -0.528   3.194
   17    H    HIS  26           H        HIS  26   2.634   1.664  -3.503
   18    HA   HIS  26           HA       HIS  26   4.849  -0.020  -2.512
   19   1HB   HIS  26          2HB       HIS  26   3.833  -1.005  -4.450
   20   2HB   HIS  26          1HB       HIS  26   3.903   0.514  -5.335
   21    HD1  HIS  26           HD1      HIS  26   6.287   1.401  -5.901
   22    HD2  HIS  26           HD2      HIS  26   6.113  -2.539  -4.489
   23    HE1  HIS  26           HE1      HIS  26   8.461   0.224  -6.424
   24    H    TYR  27           H        TYR  27   6.495   1.039  -1.813
   25    HA   TYR  27           HA       TYR  27   7.539   3.433  -3.232
   26   1HB   TYR  27          2HB       TYR  27   6.614   3.157  -0.494
   27   2HB   TYR  27          1HB       TYR  27   8.331   3.439  -0.409
   28    HD1  TYR  27           HD1      TYR  27   8.958   5.343  -2.493
   29    HD2  TYR  27           HD2      TYR  27   5.424   5.090  -0.114
   30    HE1  TYR  27           HE1      TYR  27   8.542   7.720  -2.845
   31    HE2  TYR  27           HE2      TYR  27   5.025   7.477  -0.483
   32    HH   TYR  27           HH       TYR  27   5.755   9.140  -2.485
   33    H    LYS  28           H        LYS  28   9.847   3.551  -1.659
   34    HA   LYS  28           HA       LYS  28  11.336   1.177  -2.672
   35   1HB   LYS  28          2HB       LYS  28  12.226   3.295  -3.408
   36   2HB   LYS  28          1HB       LYS  28  12.115   4.033  -1.831
   37   1HG   LYS  28          2HG       LYS  28  14.438   3.569  -2.315
   38   2HG   LYS  28          1HG       LYS  28  13.922   2.524  -1.018
   39   1HD   LYS  28          2HD       LYS  28  13.710   0.622  -2.656
   40   2HD   LYS  28          1HD       LYS  28  14.172   1.717  -3.957
   41   1HE   LYS  28          2HE       LYS  28  16.144   0.392  -3.069
   42   2HE   LYS  28          1HE       LYS  28  16.378   2.130  -2.862
   43   1HZ   LYS  28          HZ        LYS  28  15.478   1.796  -0.514
   44    H    ASN  29           H        ASN  29  11.712   3.250   0.195
   45    HA   ASN  29           HA       ASN  29  12.986   1.715   1.984
   46   1HB   ASN  29          2HB       ASN  29  10.481   3.370   2.524
   47   2HB   ASN  29          1HB       ASN  29  11.350   2.594   3.836
   48   1HD2  ASN  29          1HD2      ASN  29  11.201   5.538   2.271
   49   2HD2  ASN  29          2HD2      ASN  29  12.796   6.031   2.581
   50    H    LEU  30           H        LEU  30   9.597   1.350   1.603
   51    HA   LEU  30           HA       LEU  30   8.899  -0.615   3.370
   52   1HB   LEU  30          2HB       LEU  30   8.056  -0.189   0.492
   53   2HB   LEU  30          1HB       LEU  30   7.511  -1.637   1.295
   54    HG   LEU  30           HG       LEU  30   6.553  -0.230   3.138
   55   1HD1  LEU  30          1HD1      LEU  30   7.935   1.811   2.872
   56   2HD1  LEU  30          2HD1      LEU  30   6.230   2.187   2.744
   57   3HD1  LEU  30          3HD1      LEU  30   7.217   2.110   1.297
   58   1HD2  LEU  30          1HD2      LEU  30   5.111  -1.015   1.278
   59   2HD2  LEU  30          2HD2      LEU  30   5.542   0.382   0.320
   60   3HD2  LEU  30          3HD2      LEU  30   4.615   0.576   1.782
   61    H    ILE  31           H        ILE  31  10.484  -1.179   0.356
   62    HA   ILE  31           HA       ILE  31  10.753  -4.071   0.906
   63    HB   ILE  31           HB       ILE  31  11.790  -2.411  -1.459
   64   1HG1  ILE  31          2HG1      ILE  31   9.275  -4.155  -1.290
   65   2HG1  ILE  31          1HG1      ILE  31   9.234  -2.410  -1.151
   66   1HG2  ILE  31          1HG2      ILE  31  12.955  -4.603  -1.165
   67   2HG2  ILE  31          2HG2      ILE  31  11.963  -4.618  -2.600
   68   3HG2  ILE  31          3HG2      ILE  31  11.406  -5.433  -1.146
   69   1HD1  ILE  31          1HD1      ILE  31  10.223  -2.189  -3.431
   70   2HD1  ILE  31          2HD1      ILE  31   8.707  -3.055  -3.457
   71   3HD1  ILE  31          3HD1      ILE  31  10.212  -3.937  -3.606
   72    H    GLU  32           H        GLU  32  12.610  -1.308   0.438
   73    HA   GLU  32           HA       GLU  32  15.260  -2.168   0.687
   74   1HB   GLU  32          2HB       GLU  32  14.207   0.344   0.588
   75   2HB   GLU  32          1HB       GLU  32  14.590   0.308   2.296
   76   1HG   GLU  32          2HG       GLU  32  16.630   1.141   1.320
   77   2HG   GLU  32          1HG       GLU  32  16.998  -0.577   1.454
   78    H    ARG  33           H        ARG  33  12.930  -1.861   3.179
   79    HA   ARG  33           HA       ARG  33  14.970  -2.543   5.238
   80   1HB   ARG  33          2HB       ARG  33  13.051  -0.674   5.356
   81   2HB   ARG  33          1HB       ARG  33  12.048  -2.019   5.849
   82   1HG   ARG  33          2HG       ARG  33  13.425  -2.443   7.817
   83   2HG   ARG  33          1HG       ARG  33  14.706  -1.386   7.243
   84   1HD   ARG  33          2HD       ARG  33  12.947   0.550   7.388
   85   2HD   ARG  33          1HD       ARG  33  11.915  -0.584   8.195
   86    HE   ARG  33           HE       ARG  33  13.483  -0.767  10.039
   87   1HH1  ARG  33          1HH2      ARG  33  14.161   1.804   7.777
   88   2HH1  ARG  33          2HH2      ARG  33  15.036   2.739   8.912
   89   1HH2  ARG  33          2HH1      ARG  33  14.667   0.414  11.508
   90   2HH2  ARG  33          1HH1      ARG  33  15.350   1.917  11.065
   91    H    GLN  34           H        GLN  34  11.969  -3.638   3.919
   92    HA   GLN  34           HA       GLN  34  11.432  -5.969   5.322
   93   1HB   GLN  34          2HB       GLN  34  10.067  -5.010   3.373
   94   2HB   GLN  34          1HB       GLN  34  11.221  -5.740   2.271
   95   1HG   GLN  34          2HG       GLN  34   9.262  -7.218   2.551
   96   2HG   GLN  34          1HG       GLN  34  10.603  -8.001   3.385
   97   1HE2  GLN  34          1HE2      GLN  34  10.244  -8.464   5.602
   98   2HE2  GLN  34          2HE2      GLN  34   8.988  -7.767   6.503
   99    H    ARG  35           H        ARG  35  13.697  -5.629   2.645
  100    HA   ARG  35           HA       ARG  35  14.632  -8.435   3.058
  101   1HB   ARG  35          2HB       ARG  35  14.845  -6.425   0.852
  102   2HB   ARG  35          1HB       ARG  35  16.181  -7.526   1.028
  103   1HG   ARG  35          2HG       ARG  35  14.342  -9.427   1.023
  104   2HG   ARG  35          1HG       ARG  35  13.249  -8.159   0.501
  105   1HD   ARG  35          2HD       ARG  35  14.195  -9.434  -1.408
  106   2HD   ARG  35          1HD       ARG  35  14.660  -7.737  -1.524
  107    HE   ARG  35           HE       ARG  35  16.801  -8.511  -0.280
  108   1HH1  ARG  35          1HH2      ARG  35  15.122 -10.475  -2.571
  109   2HH1  ARG  35          2HH2      ARG  35  16.479 -11.426  -2.986
  110   1HH2  ARG  35          2HH1      ARG  35  18.601  -9.681  -0.777
  111   2HH2  ARG  35          1HH1      ARG  35  18.549 -10.932  -1.945
  112    H    TYR  36           H        TYR  36  15.198  -6.226   4.905
  113    HA   TYR  36           HA       TYR  36  18.180  -6.473   4.980
  114   1HB   TYR  36          2HB       TYR  36  17.335  -4.105   4.384
  115   2HB   TYR  36          1HB       TYR  36  16.562  -4.076   5.955
  116    HD1  TYR  36           HD1      TYR  36  18.231  -1.934   5.578
  117    HD2  TYR  36           HD2      TYR  36  19.497  -5.859   6.684
  118    HE1  TYR  36           HE1      TYR  36  20.275  -1.025   6.582
  119    HE2  TYR  36           HE2      TYR  36  21.491  -4.946   7.665
  120    HH   TYR  36           HH       TYR  36  22.807  -3.077   7.888
  121   1HT   TYR  36          1HT       TYR  36  15.295  -5.592   6.963
  122   2HT   TYR  36          2HT       TYR  36  15.772  -6.538   8.291
  Start of MODEL    5
    1   1H    ACE  25          1HA       ACE  25   3.668   1.159  -9.782
    2   2H    ACE  25          2HA       ACE  25   4.559   0.204  -8.591
    3   3H    ACE  25          3HA       ACE  25   5.072   1.851  -8.970
    4    H    ARG  25           H        ARG  25   3.463   0.068  -6.710
    5    HA   ARG  25           HA       ARG  25   1.919   2.476  -5.782
    6   1HB   ARG  25          2HB       ARG  25   1.223  -0.474  -5.340
    7   2HB   ARG  25          1HB       ARG  25   0.368   0.873  -4.657
    8   1HG   ARG  25          2HG       ARG  25  -0.988   0.382  -6.502
    9   2HG   ARG  25          1HG       ARG  25  -0.014   1.707  -7.092
   10   1HD   ARG  25          2HD       ARG  25  -0.077   0.046  -8.852
   11   2HD   ARG  25          1HD       ARG  25   1.530  -0.006  -8.197
   12    HE   ARG  25           HE       ARG  25   0.922  -1.958  -6.844
   13   1HH1  ARG  25          1HH2      ARG  25  -1.246  -1.153  -9.443
   14   2HH1  ARG  25          2HH2      ARG  25  -1.889  -2.725  -9.577
   15   1HH2  ARG  25          2HH1      ARG  25   0.097  -4.018  -6.980
   16   2HH2  ARG  25          1HH1      ARG  25  -1.109  -4.397  -8.123
   17    H    HIS  26           H        HIS  26   4.690   1.379  -5.274
   18    HA   HIS  26           HA       HIS  26   4.555   1.502  -2.333
   19   1HB   HIS  26          2HB       HIS  26   6.279  -0.388  -4.014
   20   2HB   HIS  26          1HB       HIS  26   6.519  -0.158  -2.293
   21    HD1  HIS  26           HD1      HIS  26   5.699  -2.891  -3.542
   22    HD2  HIS  26           HD2      HIS  26   3.101  -0.167  -1.766
   23    HE1  HIS  26           HE1      HIS  26   3.652  -4.090  -2.766
   24    H    TYR  27           H        TYR  27   6.804   1.802  -1.454
   25    HA   TYR  27           HA       TYR  27   8.402   3.748  -3.031
   26   1HB   TYR  27          2HB       TYR  27   7.108   4.007  -0.359
   27   2HB   TYR  27          1HB       TYR  27   8.727   4.635  -0.441
   28    HD1  TYR  27           HD1      TYR  27   5.583   4.798  -2.580
   29    HD2  TYR  27           HD2      TYR  27   8.913   6.874  -0.907
   30    HE1  TYR  27           HE1      TYR  27   4.783   6.884  -3.558
   31    HE2  TYR  27           HE2      TYR  27   8.105   8.949  -1.889
   32    HH   TYR  27           HH       TYR  27   5.670   9.093  -4.232
   33    H    LYS  28           H        LYS  28  10.457   3.304  -2.889
   34    HA   LYS  28           HA       LYS  28  11.837   1.072  -2.563
   35   1HB   LYS  28          2HB       LYS  28  12.979   3.183  -3.065
   36   2HB   LYS  28          1HB       LYS  28  12.803   3.760  -1.426
   37   1HG   LYS  28          2HG       LYS  28  14.199   1.712  -0.709
   38   2HG   LYS  28          1HG       LYS  28  14.522   1.439  -2.413
   39   1HD   LYS  28          2HD       LYS  28  15.470   3.746  -2.549
   40   2HD   LYS  28          1HD       LYS  28  15.166   3.966  -0.836
   41   1HE   LYS  28          2HE       LYS  28  17.146   2.072  -2.159
   42   2HE   LYS  28          1HE       LYS  28  17.450   3.302  -0.936
   43   1HZ   LYS  28          HZ        LYS  28  16.042   1.849   0.609
   44    H    ASN  29           H        ASN  29  11.742   3.136   0.172
   45    HA   ASN  29           HA       ASN  29  12.737   1.817   2.281
   46   1HB   ASN  29          2HB       ASN  29  11.615   4.022   2.475
   47   2HB   ASN  29          1HB       ASN  29  10.037   3.267   2.328
   48   1HD2  ASN  29          1HD2      ASN  29   9.070   3.161   4.371
   49   2HD2  ASN  29          2HD2      ASN  29   9.925   2.826   5.802
   50    H    LEU  30           H        LEU  30   9.409   1.400   1.530
   51    HA   LEU  30           HA       LEU  30   8.552  -0.528   3.292
   52   1HB   LEU  30          2HB       LEU  30   7.900  -0.157   0.351
   53   2HB   LEU  30          1HB       LEU  30   7.116  -1.407   1.289
   54    HG   LEU  30           HG       LEU  30   6.347   0.285   2.915
   55   1HD1  LEU  30          1HD1      LEU  30   7.971   2.096   2.618
   56   2HD1  LEU  30          2HD1      LEU  30   6.371   2.706   2.301
   57   3HD1  LEU  30          3HD1      LEU  30   7.442   2.342   0.956
   58   1HD2  LEU  30          1HD2      LEU  30   4.832  -0.429   1.103
   59   2HD2  LEU  30          2HD2      LEU  30   5.482   0.782   0.022
   60   3HD2  LEU  30          3HD2      LEU  30   4.565   1.267   1.436
   61    H    ILE  31           H        ILE  31  10.431  -1.091   0.509
   62    HA   ILE  31           HA       ILE  31  10.548  -4.003   1.041
   63    HB   ILE  31           HB       ILE  31  11.510  -2.474  -1.410
   64   1HG1  ILE  31          2HG1      ILE  31   8.887  -4.016  -0.997
   65   2HG1  ILE  31          1HG1      ILE  31   8.992  -2.273  -0.918
   66   1HG2  ILE  31          1HG2      ILE  31  10.905  -5.450  -0.992
   67   2HG2  ILE  31          2HG2      ILE  31  12.516  -4.771  -1.125
   68   3HG2  ILE  31          3HG2      ILE  31  11.440  -4.727  -2.499
   69   1HD1  ILE  31          1HD1      ILE  31   8.222  -2.970  -3.152
   70   2HD1  ILE  31          2HD1      ILE  31   9.665  -3.932  -3.383
   71   3HD1  ILE  31          3HD1      ILE  31   9.781  -2.185  -3.270
   72    H    GLU  32           H        GLU  32  12.580  -1.354   0.491
   73    HA   GLU  32           HA       GLU  32  15.102  -2.649   0.712
   74   1HB   GLU  32          2HB       GLU  32  14.594  -0.176   0.074
   75   2HB   GLU  32          1HB       GLU  32  14.669   0.160   1.793
   76   1HG   GLU  32          2HG       GLU  32  16.998   0.010   1.822
   77   2HG   GLU  32          1HG       GLU  32  17.019  -1.465   0.870
   78    H    ARG  33           H        ARG  33  12.890  -1.720   3.261
   79    HA   ARG  33           HA       ARG  33  14.955  -2.362   5.288
   80   1HB   ARG  33          2HB       ARG  33  12.143  -1.254   5.446
   81   2HB   ARG  33          1HB       ARG  33  13.121  -1.666   6.822
   82   1HG   ARG  33          2HG       ARG  33  14.945  -0.082   5.748
   83   2HG   ARG  33          1HG       ARG  33  13.643   0.440   4.690
   84   1HD   ARG  33          2HD       ARG  33  13.757   1.983   6.647
   85   2HD   ARG  33          1HD       ARG  33  12.279   1.085   6.621
   86    HE   ARG  33           HE       ARG  33  12.969  -0.260   8.450
   87   1HH1  ARG  33          1HH2      ARG  33  15.391   1.939   7.439
   88   2HH1  ARG  33          2HH2      ARG  33  16.329   1.843   8.870
   89   1HH2  ARG  33          2HH1      ARG  33  14.141  -0.504  10.338
   90   2HH2  ARG  33          1HH1      ARG  33  15.587   0.378  10.594
   91    H    GLN  34           H        GLN  34  12.719  -3.896   3.480
   92    HA   GLN  34           HA       GLN  34  11.894  -5.919   5.472
   93   1HB   GLN  34          2HB       GLN  34  10.109  -5.256   4.022
   94   2HB   GLN  34          1HB       GLN  34  11.123  -5.212   2.605
   95   1HG   GLN  34          2HG       GLN  34  10.868  -7.934   3.816
   96   2HG   GLN  34          1HG       GLN  34   9.376  -7.266   3.188
   97   1HE2  GLN  34          1HE2      GLN  34   9.098  -8.041   1.045
   98   2HE2  GLN  34          2HE2      GLN  34  10.374  -8.204  -0.066
   99    H    ARG  35           H        ARG  35  13.701  -5.608   2.522
  100    HA   ARG  35           HA       ARG  35  14.623  -8.360   2.483
  101   1HB   ARG  35          2HB       ARG  35  14.217  -6.666   0.531
  102   2HB   ARG  35          1HB       ARG  35  15.759  -5.968   0.940
  103   1HG   ARG  35          2HG       ARG  35  15.332  -8.852   0.062
  104   2HG   ARG  35          1HG       ARG  35  15.846  -7.558  -0.992
  105   1HD   ARG  35          2HD       ARG  35  17.751  -7.361   1.006
  106   2HD   ARG  35          1HD       ARG  35  17.369  -9.061   1.086
  107    HE   ARG  35           HE       ARG  35  17.871  -9.310  -1.286
  108   1HH1  ARG  35          1HH2      ARG  35  18.966  -6.384   0.217
  109   2HH1  ARG  35          2HH2      ARG  35  20.229  -6.079  -0.877
  110   1HH2  ARG  35          2HH1      ARG  35  19.476  -8.941  -2.821
  111   2HH2  ARG  35          1HH1      ARG  35  20.471  -7.559  -2.689
  112    H    TYR  36           H        TYR  36  15.536  -5.667   4.067
  113    HA   TYR  36           HA       TYR  36  18.220  -6.785   4.817
  114   1HB   TYR  36          2HB       TYR  36  17.264  -3.901   4.595
  115   2HB   TYR  36          1HB       TYR  36  18.691  -4.318   5.520
  116    HD1  TYR  36           HD1      TYR  36  20.593  -5.540   4.367
  117    HD2  TYR  36           HD2      TYR  36  17.385  -3.820   2.169
  118    HE1  TYR  36           HE1      TYR  36  21.939  -5.611   2.321
  119    HE2  TYR  36           HE2      TYR  36  18.727  -3.878   0.138
  120    HH   TYR  36           HH       TYR  36  21.956  -4.266   0.080
  121   1HT   TYR  36          1HT       TYR  36  15.368  -5.023   6.169
  122   2HT   TYR  36          2HT       TYR  36  15.634  -5.616   7.730
  Start of MODEL    6
    1   1H    ACE  25          1HA       ACE  25   5.445   2.779  -5.150
    2   2H    ACE  25          2HA       ACE  25   4.631   1.223  -5.197
    3   3H    ACE  25          3HA       ACE  25   5.677   1.627  -3.829
    4    H    ARG  25           H        ARG  25   4.486   2.133  -2.078
    5    HA   ARG  25           HA       ARG  25   1.796   3.430  -2.447
    6   1HB   ARG  25          2HB       ARG  25   2.032   1.093  -1.304
    7   2HB   ARG  25          1HB       ARG  25   2.787   1.920   0.038
    8   1HG   ARG  25          2HG       ARG  25  -0.015   2.595  -0.982
    9   2HG   ARG  25          1HG       ARG  25   0.276   1.427   0.283
   10   1HD   ARG  25          2HD       ARG  25   1.380   3.197   1.660
   11   2HD   ARG  25          1HD       ARG  25   1.054   4.379   0.432
   12    HE   ARG  25           HE       ARG  25  -1.016   2.903   2.002
   13   1HH1  ARG  25          1HH2      ARG  25  -0.083   5.659   0.111
   14   2HH1  ARG  25          2HH2      ARG  25  -1.510   6.541   0.419
   15   1HH2  ARG  25          2HH1      ARG  25  -2.911   4.005   2.429
   16   2HH2  ARG  25          1HH1      ARG  25  -3.186   5.559   1.781
   17    H    HIS  26           H        HIS  26   4.740   3.419  -0.557
   18    HA   HIS  26           HA       HIS  26   4.335   6.268   0.116
   19   1HB   HIS  26          2HB       HIS  26   5.465   4.019   1.869
   20   2HB   HIS  26          1HB       HIS  26   5.658   5.716   2.267
   21    HD1  HIS  26           HD1      HIS  26   4.044   3.701   4.011
   22    HD2  HIS  26           HD2      HIS  26   2.431   6.369   1.257
   23    HE1  HIS  26           HE1      HIS  26   1.671   4.170   4.623
   24    H    TYR  27           H        TYR  27   7.056   3.973   0.499
   25    HA   TYR  27           HA       TYR  27   8.650   5.560  -1.392
   26   1HB   TYR  27          2HB       TYR  27   8.937   5.563   1.523
   27   2HB   TYR  27          1HB       TYR  27  10.329   4.752   0.850
   28    HD1  TYR  27           HD1      TYR  27  11.375   6.063  -1.325
   29    HD2  TYR  27           HD2      TYR  27   9.097   7.889   1.801
   30    HE1  TYR  27           HE1      TYR  27  12.369   8.225  -1.843
   31    HE2  TYR  27           HE2      TYR  27  10.112  10.038   1.260
   32    HH   TYR  27           HH       TYR  27  11.200  11.145  -0.659
   33    H    LYS  28           H        LYS  28  10.733   4.345  -1.629
   34    HA   LYS  28           HA       LYS  28  10.179   1.657  -2.589
   35   1HB   LYS  28          2HB       LYS  28  11.950   3.381  -3.522
   36   2HB   LYS  28          1HB       LYS  28  12.980   2.898  -2.193
   37   1HG   LYS  28          2HG       LYS  28  11.855   0.867  -4.146
   38   2HG   LYS  28          1HG       LYS  28  13.345   1.740  -4.449
   39   1HD   LYS  28          2HD       LYS  28  13.021   0.216  -1.869
   40   2HD   LYS  28          1HD       LYS  28  13.428  -0.607  -3.349
   41   1HE   LYS  28          2HE       LYS  28  15.535   0.400  -3.536
   42   2HE   LYS  28          1HE       LYS  28  15.063   1.838  -2.622
   43   1HZ   LYS  28          HZ        LYS  28  15.056  -0.799  -1.285
   44    H    ASN  29           H        ASN  29  11.977   3.114  -0.035
   45    HA   ASN  29           HA       ASN  29  13.276   1.416   1.458
   46   1HB   ASN  29          2HB       ASN  29  12.162   3.805   2.107
   47   2HB   ASN  29          1HB       ASN  29  11.109   2.765   3.055
   48   1HD2  ASN  29          1HD2      ASN  29  14.335   4.015   2.769
   49   2HD2  ASN  29          2HD2      ASN  29  14.947   3.299   4.180
   50    H    LEU  30           H        LEU  30   9.834   1.413   1.514
   51    HA   LEU  30           HA       LEU  30   9.033  -0.475   3.308
   52   1HB   LEU  30          2HB       LEU  30   8.196  -0.466   0.362
   53   2HB   LEU  30          1HB       LEU  30   7.315  -1.305   1.620
   54    HG   LEU  30           HG       LEU  30   7.775   1.722   1.581
   55   1HD1  LEU  30          1HD1      LEU  30   5.356   1.818   0.983
   56   2HD1  LEU  30          2HD1      LEU  30   5.298   0.067   0.898
   57   3HD1  LEU  30          3HD1      LEU  30   6.279   0.969  -0.247
   58   1HD2  LEU  30          1HD2      LEU  30   7.408   0.736   3.898
   59   2HD2  LEU  30          2HD2      LEU  30   5.934  -0.021   3.314
   60   3HD2  LEU  30          3HD2      LEU  30   6.058   1.724   3.390
   61    H    ILE  31           H        ILE  31  10.434  -1.281   0.194
   62    HA   ILE  31           HA       ILE  31  10.563  -4.142   0.811
   63    HB   ILE  31           HB       ILE  31  12.018  -2.577  -1.409
   64   1HG1  ILE  31          2HG1      ILE  31   9.302  -3.986  -1.483
   65   2HG1  ILE  31          1HG1      ILE  31   9.545  -2.256  -1.503
   66   1HG2  ILE  31          1HG2      ILE  31  12.920  -4.872  -0.923
   67   2HG2  ILE  31          2HG2      ILE  31  12.167  -4.807  -2.507
   68   3HG2  ILE  31          3HG2      ILE  31  11.313  -5.546  -1.163
   69   1HD1  ILE  31          1HD1      ILE  31  10.551  -4.152  -3.671
   70   2HD1  ILE  31          2HD1      ILE  31  10.795  -2.410  -3.643
   71   3HD1  ILE  31          3HD1      ILE  31   9.182  -3.071  -3.786
   72    H    GLU  32           H        GLU  32  12.834  -1.727   0.181
   73    HA   GLU  32           HA       GLU  32  15.308  -2.689   0.886
   74   1HB   GLU  32          2HB       GLU  32  14.213  -0.194   0.430
   75   2HB   GLU  32          1HB       GLU  32  14.782   0.036   2.037
   76   1HG   GLU  32          2HG       GLU  32  17.035   0.182   1.334
   77   2HG   GLU  32          1HG       GLU  32  16.877  -1.188   0.225
   78    H    ARG  33           H        ARG  33  12.794  -2.058   3.087
   79    HA   ARG  33           HA       ARG  33  14.488  -2.337   5.482
   80   1HB   ARG  33          2HB       ARG  33  12.507  -0.658   5.032
   81   2HB   ARG  33          1HB       ARG  33  11.473  -2.015   5.392
   82   1HG   ARG  33          2HG       ARG  33  11.799  -1.849   7.650
   83   2HG   ARG  33          1HG       ARG  33  13.539  -1.689   7.474
   84   1HD   ARG  33          2HD       ARG  33  13.237   0.709   6.746
   85   2HD   ARG  33          1HD       ARG  33  11.521   0.548   6.921
   86    HE   ARG  33           HE       ARG  33  11.732   0.316   9.309
   87   1HH1  ARG  33          1HH2      ARG  33  14.673   1.111   7.692
   88   2HH1  ARG  33          2HH2      ARG  33  15.430   1.791   9.069
   89   1HH2  ARG  33          2HH1      ARG  33  12.655   1.154  11.159
   90   2HH2  ARG  33          1HH1      ARG  33  14.248   1.774  11.133
   91    H    GLN  34           H        GLN  34  12.051  -4.096   3.788
   92    HA   GLN  34           HA       GLN  34  11.870  -6.246   5.793
   93   1HB   GLN  34          2HB       GLN  34  10.940  -6.151   2.852
   94   2HB   GLN  34          1HB       GLN  34  10.496  -7.394   4.008
   95   1HG   GLN  34          2HG       GLN  34   9.367  -5.745   5.443
   96   2HG   GLN  34          1HG       GLN  34   9.883  -4.418   4.433
   97   1HE2  GLN  34          1HE2      GLN  34   8.342  -3.801   2.825
   98   2HE2  GLN  34          2HE2      GLN  34   7.073  -4.817   2.316
   99    H    ARG  35           H        ARG  35  13.431  -5.659   2.726
  100    HA   ARG  35           HA       ARG  35  15.075  -8.138   2.955
  101   1HB   ARG  35          2HB       ARG  35  14.730  -6.061   0.771
  102   2HB   ARG  35          1HB       ARG  35  15.954  -7.310   0.704
  103   1HG   ARG  35          2HG       ARG  35  14.179  -9.076   0.824
  104   2HG   ARG  35          1HG       ARG  35  12.947  -7.842   0.918
  105   1HD   ARG  35          2HD       ARG  35  13.220  -8.753  -1.423
  106   2HD   ARG  35          1HD       ARG  35  13.492  -7.026  -1.303
  107    HE   ARG  35           HE       ARG  35  15.749  -9.009  -1.240
  108   1HH1  ARG  35          1HH2      ARG  35  14.314  -6.140  -2.607
  109   2HH1  ARG  35          2HH2      ARG  35  15.677  -5.743  -3.556
  110   1HH2  ARG  35          2HH1      ARG  35  17.531  -8.513  -2.472
  111   2HH2  ARG  35          1HH1      ARG  35  17.558  -7.123  -3.467
  112    H    TYR  36           H        TYR  36  15.545  -6.680   4.868
  113    HA   TYR  36           HA       TYR  36  18.094  -5.141   4.381
  114   1HB   TYR  36          2HB       TYR  36  16.009  -3.959   5.454
  115   2HB   TYR  36          1HB       TYR  36  16.379  -4.868   6.902
  116    HD1  TYR  36           HD1      TYR  36  19.163  -4.724   7.451
  117    HD2  TYR  36           HD2      TYR  36  16.818  -1.821   5.394
  118    HE1  TYR  36           HE1      TYR  36  20.791  -3.001   8.017
  119    HE2  TYR  36           HE2      TYR  36  18.455  -0.101   5.965
  120    HH   TYR  36           HH       TYR  36  21.486  -0.821   7.496
  121   1HT   TYR  36          1HT       TYR  36  16.476  -7.484   6.606
  122   2HT   TYR  36          2HT       TYR  36  17.946  -8.133   7.166
  Start of MODEL    7
    1   1H    ACE  25          1HA       ACE  25   1.363   4.348  -4.599
    2   2H    ACE  25          2HA       ACE  25   2.827   3.823  -3.763
    3   3H    ACE  25          3HA       ACE  25   2.947   4.789  -5.233
    4    H    ARG  25           H        ARG  25   3.295   5.017  -2.029
    5    HA   ARG  25           HA       ARG  25   2.694   7.945  -2.049
    6   1HB   ARG  25          2HB       ARG  25   0.888   6.820  -0.730
    7   2HB   ARG  25          1HB       ARG  25   2.096   6.052   0.292
    8   1HG   ARG  25          2HG       ARG  25   2.977   8.422   0.851
    9   2HG   ARG  25          1HG       ARG  25   1.596   9.047  -0.011
   10   1HD   ARG  25          2HD       ARG  25   0.059   8.175   1.633
   11   2HD   ARG  25          1HD       ARG  25   1.295   7.145   2.332
   12    HE   ARG  25           HE       ARG  25   2.535   9.096   3.067
   13   1HH1  ARG  25          1HH2      ARG  25  -0.728   9.731   2.097
   14   2HH1  ARG  25          2HH2      ARG  25  -0.858  11.189   2.977
   15   1HH2  ARG  25          2HH1      ARG  25   2.442  10.971   4.200
   16   2HH2  ARG  25          1HH1      ARG  25   1.022  11.925   4.214
   17    H    HIS  26           H        HIS  26   4.291   5.386  -0.279
   18    HA   HIS  26           HA       HIS  26   6.351   7.252   0.669
   19   1HB   HIS  26          2HB       HIS  26   5.081   5.358   2.074
   20   2HB   HIS  26          1HB       HIS  26   6.237   4.279   1.313
   21    HD1  HIS  26           HD1      HIS  26   6.732   4.130   4.017
   22    HD2  HIS  26           HD2      HIS  26   8.088   7.470   1.960
   23    HE1  HIS  26           HE1      HIS  26   8.562   5.230   5.344
   24    H    TYR  27           H        TYR  27   8.659   5.729   0.720
   25    HA   TYR  27           HA       TYR  27   9.051   5.136  -2.156
   26   1HB   TYR  27          2HB       TYR  27  11.526   5.583  -0.595
   27   2HB   TYR  27          1HB       TYR  27  11.004   6.335  -2.087
   28    HD1  TYR  27           HD1      TYR  27  10.811   6.537   1.601
   29    HD2  TYR  27           HD2      TYR  27  10.004   8.557  -2.065
   30    HE1  TYR  27           HE1      TYR  27  10.413   8.608   2.827
   31    HE2  TYR  27           HE2      TYR  27   9.605  10.632  -0.822
   32    HH   TYR  27           HH       TYR  27   9.054  10.774   2.410
   33    H    LYS  28           H        LYS  28  11.052   3.980  -2.357
   34    HA   LYS  28           HA       LYS  28  11.024   1.375  -2.433
   35   1HB   LYS  28          2HB       LYS  28  13.536   1.355  -2.079
   36   2HB   LYS  28          1HB       LYS  28  12.970   2.558  -3.215
   37   1HG   LYS  28          2HG       LYS  28  13.124   4.314  -1.423
   38   2HG   LYS  28          1HG       LYS  28  13.650   3.116  -0.271
   39   1HD   LYS  28          2HD       LYS  28  15.424   2.821  -2.477
   40   2HD   LYS  28          1HD       LYS  28  15.197   4.548  -2.291
   41   1HE   LYS  28          2HE       LYS  28  17.064   3.706  -0.857
   42   2HE   LYS  28          1HE       LYS  28  15.767   4.379   0.128
   43   1HZ   LYS  28          HZ        LYS  28  14.956   2.060   0.494
   44    H    ASN  29           H        ASN  29  11.878   2.985   0.451
   45    HA   ASN  29           HA       ASN  29  12.796   1.418   2.329
   46   1HB   ASN  29          2HB       ASN  29  10.102   2.852   2.722
   47   2HB   ASN  29          1HB       ASN  29  11.245   2.479   4.002
   48   1HD2  ASN  29          1HD2      ASN  29  12.336   4.433   4.578
   49   2HD2  ASN  29          2HD2      ASN  29  12.804   5.609   3.441
   50    H    LEU  30           H        LEU  30   9.414   1.154   1.718
   51    HA   LEU  30           HA       LEU  30   8.563  -0.917   3.243
   52   1HB   LEU  30          2HB       LEU  30   7.535   0.215   0.987
   53   2HB   LEU  30          1HB       LEU  30   7.979  -1.337   0.319
   54    HG   LEU  30           HG       LEU  30   6.187  -0.845   2.715
   55   1HD1  LEU  30          1HD1      LEU  30   4.407  -1.782   1.237
   56   2HD1  LEU  30          2HD1      LEU  30   5.561  -1.902  -0.077
   57   3HD1  LEU  30          3HD1      LEU  30   5.117  -0.327   0.561
   58   1HD2  LEU  30          1HD2      LEU  30   6.925  -3.534   1.440
   59   2HD2  LEU  30          2HD2      LEU  30   5.681  -3.314   2.655
   60   3HD2  LEU  30          3HD2      LEU  30   7.349  -3.017   3.064
   61    H    ILE  31           H        ILE  31  10.451  -1.398   0.350
   62    HA   ILE  31           HA       ILE  31  10.839  -4.263   1.062
   63    HB   ILE  31           HB       ILE  31  11.670  -2.873  -1.546
   64   1HG1  ILE  31          2HG1      ILE  31   9.120  -4.477  -0.980
   65   2HG1  ILE  31          1HG1      ILE  31   9.171  -2.735  -1.151
   66   1HG2  ILE  31          1HG2      ILE  31  11.236  -5.832  -0.862
   67   2HG2  ILE  31          2HG2      ILE  31  12.806  -5.072  -1.026
   68   3HG2  ILE  31          3HG2      ILE  31  11.760  -5.217  -2.418
   69   1HD1  ILE  31          1HD1      ILE  31  10.025  -2.961  -3.482
   70   2HD1  ILE  31          2HD1      ILE  31   8.477  -3.756  -3.280
   71   3HD1  ILE  31          3HD1      ILE  31   9.941  -4.712  -3.351
   72    H    GLU  32           H        GLU  32  12.559  -1.469   0.185
   73    HA   GLU  32           HA       GLU  32  15.231  -2.441   0.420
   74   1HB   GLU  32          2HB       GLU  32  14.655  -0.156  -0.428
   75   2HB   GLU  32          1HB       GLU  32  14.261   0.360   1.189
   76   1HG   GLU  32          2HG       GLU  32  16.580   0.181   1.947
   77   2HG   GLU  32          1HG       GLU  32  17.058  -0.730   0.528
   78    H    ARG  33           H        ARG  33  12.951  -1.904   2.786
   79    HA   ARG  33           HA       ARG  33  14.918  -2.125   5.010
   80   1HB   ARG  33          2HB       ARG  33  12.449  -0.621   4.776
   81   2HB   ARG  33          1HB       ARG  33  12.125  -1.895   5.925
   82   1HG   ARG  33          2HG       ARG  33  14.309  -1.151   7.115
   83   2HG   ARG  33          1HG       ARG  33  14.334   0.212   6.018
   84   1HD   ARG  33          2HD       ARG  33  12.152   0.993   6.806
   85   2HD   ARG  33          1HD       ARG  33  11.949  -0.355   7.894
   86    HE   ARG  33           HE       ARG  33  13.636   2.011   8.260
   87   1HH1  ARG  33          1HH2      ARG  33  13.168  -1.270   9.067
   88   2HH1  ARG  33          2HH2      ARG  33  13.883  -1.213  10.627
   89   1HH2  ARG  33          2HH1      ARG  33  14.685   2.215  10.281
   90   2HH2  ARG  33          1HH1      ARG  33  14.828   0.862  11.322
   91    H    GLN  34           H        GLN  34  11.905  -3.492   3.949
   92    HA   GLN  34           HA       GLN  34  11.707  -5.705   5.692
   93   1HB   GLN  34          2HB       GLN  34   9.946  -5.092   3.974
   94   2HB   GLN  34          1HB       GLN  34  10.961  -5.768   2.712
   95   1HG   GLN  34          2HG       GLN  34  10.832  -8.012   3.801
   96   2HG   GLN  34          1HG       GLN  34   9.894  -7.331   5.120
   97   1HE2  GLN  34          1HE2      GLN  34   7.676  -7.928   4.807
   98   2HE2  GLN  34          2HE2      GLN  34   6.939  -7.913   3.281
   99    H    ARG  35           H        ARG  35  13.409  -5.687   2.529
  100    HA   ARG  35           HA       ARG  35  14.537  -8.344   3.123
  101   1HB   ARG  35          2HB       ARG  35  14.783  -6.409   0.805
  102   2HB   ARG  35          1HB       ARG  35  15.990  -7.652   1.022
  103   1HG   ARG  35          2HG       ARG  35  14.009  -9.339   1.153
  104   2HG   ARG  35          1HG       ARG  35  13.001  -8.026   0.580
  105   1HD   ARG  35          2HD       ARG  35  13.777  -9.443  -1.320
  106   2HD   ARG  35          1HD       ARG  35  14.392  -7.823  -1.474
  107    HE   ARG  35           HE       ARG  35  16.553  -8.541  -0.588
  108   1HH1  ARG  35          1HH2      ARG  35  14.435 -11.097  -1.585
  109   2HH1  ARG  35          2HH2      ARG  35  15.681 -12.239  -1.806
  110   1HH2  ARG  35          2HH1      ARG  35  18.202  -9.985  -0.844
  111   2HH2  ARG  35          1HH1      ARG  35  17.904 -11.581  -1.380
  112    H    TYR  36           H        TYR  36  15.120  -6.456   4.995
  113    HA   TYR  36           HA       TYR  36  18.097  -6.535   5.018
  114   1HB   TYR  36          2HB       TYR  36  17.194  -4.105   4.478
  115   2HB   TYR  36          1HB       TYR  36  16.497  -4.117   6.086
  116    HD1  TYR  36           HD1      TYR  36  18.200  -4.855   8.045
  117    HD2  TYR  36           HD2      TYR  36  19.381  -3.278   4.263
  118    HE1  TYR  36           HE1      TYR  36  20.359  -4.201   8.985
  119    HE2  TYR  36           HE2      TYR  36  21.538  -2.625   5.224
  120    HH   TYR  36           HH       TYR  36  22.815  -3.792   7.887
  121   1HT   TYR  36          1HT       TYR  36  15.186  -5.591   6.901
  122   2HT   TYR  36          2HT       TYR  36  15.513  -6.652   8.193
  Start of MODEL    8
    1   1H    ACE  25          1HA       ACE  25   5.111  12.820  -4.974
    2   2H    ACE  25          2HA       ACE  25   6.681  12.317  -5.606
    3   3H    ACE  25          3HA       ACE  25   6.478  12.626  -3.879
    4    H    ARG  25           H        ARG  25   6.745  10.178  -6.044
    5    HA   ARG  25           HA       ARG  25   5.212   8.303  -4.270
    6   1HB   ARG  25          2HB       ARG  25   4.249   8.713  -6.640
    7   2HB   ARG  25          1HB       ARG  25   5.695   7.934  -7.267
    8   1HG   ARG  25          2HG       ARG  25   5.160   5.885  -5.931
    9   2HG   ARG  25          1HG       ARG  25   3.716   6.673  -5.318
   10   1HD   ARG  25          2HD       ARG  25   2.966   6.951  -7.753
   11   2HD   ARG  25          1HD       ARG  25   4.317   5.923  -8.214
   12    HE   ARG  25           HE       ARG  25   2.104   5.129  -6.349
   13   1HH1  ARG  25          1HH2      ARG  25   4.373   4.242  -8.809
   14   2HH1  ARG  25          2HH2      ARG  25   3.832   2.620  -8.916
   15   1HH2  ARG  25          2HH1      ARG  25   1.377   3.039  -6.438
   16   2HH2  ARG  25          1HH1      ARG  25   2.095   1.920  -7.506
   17    H    HIS  26           H        HIS  26   7.505   8.599  -3.296
   18    HA   HIS  26           HA       HIS  26   9.254   6.479  -4.390
   19   1HB   HIS  26          2HB       HIS  26  10.169   8.874  -4.665
   20   2HB   HIS  26          1HB       HIS  26  10.274   8.938  -2.912
   21    HD1  HIS  26           HD1      HIS  26  11.799   7.230  -5.850
   22    HD2  HIS  26           HD2      HIS  26  12.162   7.359  -1.702
   23    HE1  HIS  26           HE1      HIS  26  13.907   6.053  -5.172
   24    H    TYR  27           H        TYR  27   8.496   4.836  -2.917
   25    HA   TYR  27           HA       TYR  27   9.202   5.354  -0.037
   26   1HB   TYR  27          2HB       TYR  27   6.825   3.963  -1.232
   27   2HB   TYR  27          1HB       TYR  27   7.344   3.661   0.411
   28    HD1  TYR  27           HD1      TYR  27   7.752   5.762   1.902
   29    HD2  TYR  27           HD2      TYR  27   5.381   5.891  -1.636
   30    HE1  TYR  27           HE1      TYR  27   6.691   7.805   2.698
   31    HE2  TYR  27           HE2      TYR  27   4.316   7.952  -0.818
   32    HH   TYR  27           HH       TYR  27   4.722   9.119   2.382
   33    H    LYS  28           H        LYS  28  10.816   4.033  -1.991
   34    HA   LYS  28           HA       LYS  28  11.328   1.477  -2.272
   35   1HB   LYS  28          2HB       LYS  28  13.748   1.883  -1.593
   36   2HB   LYS  28          1HB       LYS  28  13.092   3.009  -2.748
   37   1HG   LYS  28          2HG       LYS  28  12.783   4.709  -0.955
   38   2HG   LYS  28          1HG       LYS  28  13.348   3.575   0.249
   39   1HD   LYS  28          2HD       LYS  28  15.300   3.744  -1.924
   40   2HD   LYS  28          1HD       LYS  28  14.950   5.325  -1.275
   41   1HE   LYS  28          2HE       LYS  28  16.791   4.168  -0.019
   42   2HE   LYS  28          1HE       LYS  28  15.420   4.549   1.023
   43   1HZ   LYS  28          HZ        LYS  28  14.672   2.149   0.648
   44    H    ASN  29           H        ASN  29  11.787   2.897   0.834
   45    HA   ASN  29           HA       ASN  29  12.772   1.101   2.546
   46   1HB   ASN  29          2HB       ASN  29  10.157   2.604   3.102
   47   2HB   ASN  29          1HB       ASN  29  11.267   1.999   4.326
   48   1HD2  ASN  29          1HD2      ASN  29  12.633   3.687   5.088
   49   2HD2  ASN  29          2HD2      ASN  29  13.163   4.955   4.085
   50    H    LEU  30           H        LEU  30   9.511   0.992   1.483
   51    HA   LEU  30           HA       LEU  30   8.387  -1.088   2.896
   52   1HB   LEU  30          2HB       LEU  30   8.282  -0.731  -0.142
   53   2HB   LEU  30          1HB       LEU  30   7.186  -1.758   0.760
   54    HG   LEU  30           HG       LEU  30   7.464   1.256   1.239
   55   1HD1  LEU  30          1HD1      LEU  30   5.336  -0.325  -0.265
   56   2HD1  LEU  30          2HD1      LEU  30   6.512   0.758  -0.993
   57   3HD1  LEU  30          3HD1      LEU  30   5.272   1.398   0.070
   58   1HD2  LEU  30          1HD2      LEU  30   5.373   0.948   2.554
   59   2HD2  LEU  30          2HD2      LEU  30   6.625  -0.060   3.232
   60   3HD2  LEU  30          3HD2      LEU  30   5.379  -0.771   2.220
   61    H    ILE  31           H        ILE  31  10.490  -1.429   0.193
   62    HA   ILE  31           HA       ILE  31  10.869  -4.319   0.792
   63    HB   ILE  31           HB       ILE  31  11.748  -2.768  -1.701
   64   1HG1  ILE  31          2HG1      ILE  31   9.305  -2.607  -1.615
   65   2HG1  ILE  31          1HG1      ILE  31   9.730  -3.781  -2.832
   66   1HG2  ILE  31          1HG2      ILE  31  12.921  -4.944  -1.331
   67   2HG2  ILE  31          2HG2      ILE  31  11.885  -5.004  -2.744
   68   3HG2  ILE  31          3HG2      ILE  31  11.375  -5.766  -1.247
   69   1HD1  ILE  31          1HD1      ILE  31   8.793  -4.492  -0.009
   70   2HD1  ILE  31          2HD1      ILE  31   9.222  -5.656  -1.248
   71   3HD1  ILE  31          3HD1      ILE  31   7.845  -4.604  -1.470
   72    H    GLU  32           H        GLU  32  12.630  -1.567  -0.139
   73    HA   GLU  32           HA       GLU  32  15.284  -2.285   0.248
   74   1HB   GLU  32          2HB       GLU  32  14.683  -0.007  -0.496
   75   2HB   GLU  32          1HB       GLU  32  14.090   0.403   1.093
   76   1HG   GLU  32          2HG       GLU  32  16.381   0.143   2.079
   77   2HG   GLU  32          1HG       GLU  32  17.014  -0.393   0.538
   78    H    ARG  33           H        ARG  33  13.022  -1.733   2.747
   79    HA   ARG  33           HA       ARG  33  15.151  -2.010   4.824
   80   1HB   ARG  33          2HB       ARG  33  13.201  -0.200   4.914
   81   2HB   ARG  33          1HB       ARG  33  12.160  -1.529   5.343
   82   1HG   ARG  33          2HG       ARG  33  12.857  -0.498   7.404
   83   2HG   ARG  33          1HG       ARG  33  13.675  -2.041   7.311
   84   1HD   ARG  33          2HD       ARG  33  15.746  -0.966   6.540
   85   2HD   ARG  33          1HD       ARG  33  14.957   0.576   6.390
   86    HE   ARG  33           HE       ARG  33  15.436  -0.919   8.954
   87   1HH1  ARG  33          1HH2      ARG  33  15.002   2.055   7.294
   88   2HH1  ARG  33          2HH2      ARG  33  15.348   3.055   8.640
   89   1HH2  ARG  33          2HH1      ARG  33  15.894   0.309  10.782
   90   2HH2  ARG  33          1HH1      ARG  33  15.851   2.014  10.688
   91    H    GLN  34           H        GLN  34  11.964  -3.211   4.241
   92    HA   GLN  34           HA       GLN  34  11.694  -5.440   5.802
   93   1HB   GLN  34          2HB       GLN  34  10.017  -4.802   4.104
   94   2HB   GLN  34          1HB       GLN  34  11.069  -5.296   2.799
   95   1HG   GLN  34          2HG       GLN  34  10.965  -7.683   3.746
   96   2HG   GLN  34          1HG       GLN  34   9.756  -7.109   4.885
   97   1HE2  GLN  34          1HE2      GLN  34   7.596  -7.269   4.087
   98   2HE2  GLN  34          2HE2      GLN  34   7.221  -7.399   2.435
   99    H    ARG  35           H        ARG  35  13.239  -5.473   2.734
  100    HA   ARG  35           HA       ARG  35  14.199  -7.968   2.348
  101   1HB   ARG  35          2HB       ARG  35  14.614  -5.749   0.966
  102   2HB   ARG  35          1HB       ARG  35  16.065  -5.602   1.936
  103   1HG   ARG  35          2HG       ARG  35  16.765  -7.901   1.123
  104   2HG   ARG  35          1HG       ARG  35  15.350  -7.930   0.092
  105   1HD   ARG  35          2HD       ARG  35  16.150  -5.806  -0.984
  106   2HD   ARG  35          1HD       ARG  35  17.657  -5.913  -0.061
  107    HE   ARG  35           HE       ARG  35  17.750  -8.310  -1.088
  108   1HH1  ARG  35          1HH2      ARG  35  16.679  -5.469  -2.735
  109   2HH1  ARG  35          2HH2      ARG  35  17.075  -6.041  -4.301
  110   1HH2  ARG  35          2HH1      ARG  35  18.302  -9.099  -3.065
  111   2HH2  ARG  35          1HH1      ARG  35  18.055  -8.179  -4.484
  112    H    TYR  36           H        TYR  36  15.313  -6.021   4.766
  113    HA   TYR  36           HA       TYR  36  17.823  -7.488   5.258
  114   1HB   TYR  36          2HB       TYR  36  17.450  -5.009   5.864
  115   2HB   TYR  36          1HB       TYR  36  16.358  -5.571   7.131
  116    HD1  TYR  36           HD1      TYR  36  19.859  -5.926   5.892
  117    HD2  TYR  36           HD2      TYR  36  17.222  -6.318   9.207
  118    HE1  TYR  36           HE1      TYR  36  21.777  -6.368   7.369
  119    HE2  TYR  36           HE2      TYR  36  19.128  -6.751  10.674
  120    HH   TYR  36           HH       TYR  36  21.626  -7.768  10.167
  121   1HT   TYR  36          1HT       TYR  36  16.260  -9.493   5.133
  122   2HT   TYR  36          2HT       TYR  36  15.743 -10.101   6.645
  Start of MODEL    9
    1   1H    ACE  25          1HA       ACE  25  11.330  12.104 -10.910
    2   2H    ACE  25          2HA       ACE  25  10.769  12.764  -9.366
    3   3H    ACE  25          3HA       ACE  25   9.692  11.755 -10.345
    4    H    ARG  25           H        ARG  25  11.867  11.764  -7.810
    5    HA   ARG  25           HA       ARG  25  12.134   8.791  -8.014
    6   1HB   ARG  25          2HB       ARG  25  13.981  10.817  -6.657
    7   2HB   ARG  25          1HB       ARG  25  14.164   9.069  -6.564
    8   1HG   ARG  25          2HG       ARG  25  14.470   8.855  -8.947
    9   2HG   ARG  25          1HG       ARG  25  14.071  10.538  -9.245
   10   1HD   ARG  25          2HD       ARG  25  16.190  11.143  -7.812
   11   2HD   ARG  25          1HD       ARG  25  16.509   9.427  -7.786
   12    HE   ARG  25           HE       ARG  25  17.137   9.456 -10.027
   13   1HH1  ARG  25          1HH2      ARG  25  15.539  12.325  -9.136
   14   2HH1  ARG  25          2HH2      ARG  25  15.930  13.231 -10.539
   15   1HH2  ARG  25          2HH1      ARG  25  17.707  10.506 -11.942
   16   2HH2  ARG  25          1HH1      ARG  25  17.212  12.119 -12.227
   17    H    HIS  26           H        HIS  26  11.460   7.694  -6.403
   18    HA   HIS  26           HA       HIS  26  10.309   9.037  -4.031
   19   1HB   HIS  26          2HB       HIS  26   8.433   7.479  -4.140
   20   2HB   HIS  26          1HB       HIS  26   8.696   7.971  -5.793
   21    HD1  HIS  26           HD1      HIS  26   9.181   5.017  -3.527
   22    HD2  HIS  26           HD2      HIS  26   9.634   6.051  -7.550
   23    HE1  HIS  26           HE1      HIS  26   9.582   2.960  -4.863
   24    H    TYR  27           H        TYR  27   9.922   6.932  -2.357
   25    HA   TYR  27           HA       TYR  27  12.624   5.745  -2.126
   26   1HB   TYR  27          2HB       TYR  27  10.595   6.294   0.099
   27   2HB   TYR  27          1HB       TYR  27  12.279   5.843   0.303
   28    HD1  TYR  27           HD1      TYR  27  13.905   7.530  -1.249
   29    HD2  TYR  27           HD2      TYR  27  10.168   8.559   0.522
   30    HE1  TYR  27           HE1      TYR  27  14.521   9.890  -1.305
   31    HE2  TYR  27           HE2      TYR  27  10.804  10.925   0.457
   32    HH   TYR  27           HH       TYR  27  13.223  12.147  -1.373
   33    H    LYS  28           H        LYS  28  12.668   3.677  -1.865
   34    HA   LYS  28           HA       LYS  28  10.218   2.047  -2.308
   35   1HB   LYS  28          2HB       LYS  28  11.910   0.270  -2.911
   36   2HB   LYS  28          1HB       LYS  28  12.003   1.676  -3.949
   37   1HG   LYS  28          2HG       LYS  28  13.946   2.530  -2.682
   38   2HG   LYS  28          1HG       LYS  28  13.771   1.267  -1.482
   39   1HD   LYS  28          2HD       LYS  28  14.208  -0.400  -3.384
   40   2HD   LYS  28          1HD       LYS  28  14.579   0.984  -4.398
   41   1HE   LYS  28          2HE       LYS  28  16.651   0.015  -3.333
   42   2HE   LYS  28          1HE       LYS  28  16.385   1.687  -2.838
   43   1HZ   LYS  28          HZ        LYS  28  15.478  -0.641  -1.186
   44    H    ASN  29           H        ASN  29  11.700   3.191   0.158
   45    HA   ASN  29           HA       ASN  29  12.705   1.733   2.095
   46   1HB   ASN  29          2HB       ASN  29  11.771   3.836   2.727
   47   2HB   ASN  29          1HB       ASN  29  10.129   3.340   2.355
   48   1HD2  ASN  29          1HD2      ASN  29   8.948   2.629   4.164
   49   2HD2  ASN  29          2HD2      ASN  29   9.653   2.133   5.626
   50    H    LEU  30           H        LEU  30   9.313   1.425   1.753
   51    HA   LEU  30           HA       LEU  30   8.555  -0.565   3.406
   52   1HB   LEU  30          2HB       LEU  30   7.794  -0.459   0.456
   53   2HB   LEU  30          1HB       LEU  30   6.883  -1.283   1.699
   54    HG   LEU  30           HG       LEU  30   7.418   1.744   1.661
   55   1HD1  LEU  30          1HD1      LEU  30   5.884   1.037  -0.133
   56   2HD1  LEU  30          2HD1      LEU  30   5.017   1.918   1.108
   57   3HD1  LEU  30          3HD1      LEU  30   4.901   0.169   1.032
   58   1HD2  LEU  30          1HD2      LEU  30   5.755   1.816   3.502
   59   2HD2  LEU  30          2HD2      LEU  30   7.092   0.807   4.004
   60   3HD2  LEU  30          3HD2      LEU  30   5.590   0.074   3.474
   61    H    ILE  31           H        ILE  31  10.229  -1.145   0.427
   62    HA   ILE  31           HA       ILE  31  10.507  -4.039   1.116
   63    HB   ILE  31           HB       ILE  31  11.187  -2.598  -1.524
   64   1HG1  ILE  31          2HG1      ILE  31   8.653  -4.183  -0.799
   65   2HG1  ILE  31          1HG1      ILE  31   8.733  -2.449  -0.976
   66   1HG2  ILE  31          1HG2      ILE  31  10.804  -5.578  -0.926
   67   2HG2  ILE  31          2HG2      ILE  31  12.351  -4.790  -1.185
   68   3HG2  ILE  31          3HG2      ILE  31  11.204  -4.898  -2.494
   69   1HD1  ILE  31          1HD1      ILE  31   9.252  -4.429  -3.240
   70   2HD1  ILE  31          2HD1      ILE  31   9.351  -2.679  -3.374
   71   3HD1  ILE  31          3HD1      ILE  31   7.823  -3.452  -3.015
   72    H    GLU  32           H        GLU  32  12.222  -1.214   0.411
   73    HA   GLU  32           HA       GLU  32  14.890  -2.044   0.312
   74   1HB   GLU  32          2HB       GLU  32  14.001   0.455   0.357
   75   2HB   GLU  32          1HB       GLU  32  14.227   0.334   2.090
   76   1HG   GLU  32          2HG       GLU  32  16.481   0.863   1.788
   77   2HG   GLU  32          1HG       GLU  32  16.682  -0.687   0.984
   78    H    ARG  33           H        ARG  33  12.841  -1.751   3.096
   79    HA   ARG  33           HA       ARG  33  15.071  -2.534   4.879
   80   1HB   ARG  33          2HB       ARG  33  13.334  -0.773   5.553
   81   2HB   ARG  33          1HB       ARG  33  12.152  -2.068   5.648
   82   1HG   ARG  33          2HG       ARG  33  13.746  -3.251   7.298
   83   2HG   ARG  33          1HG       ARG  33  14.762  -1.837   7.257
   84   1HD   ARG  33          2HD       ARG  33  11.848  -1.913   8.156
   85   2HD   ARG  33          1HD       ARG  33  13.237  -1.808   9.199
   86    HE   ARG  33           HE       ARG  33  12.502   0.269   7.139
   87   1HH1  ARG  33          1HH2      ARG  33  13.801  -0.514  10.262
   88   2HH1  ARG  33          2HH2      ARG  33  14.065   1.106  10.720
   89   1HH2  ARG  33          2HH1      ARG  33  12.843   2.372   7.662
   90   2HH2  ARG  33          1HH1      ARG  33  13.493   2.810   9.187
   91    H    GLN  34           H        GLN  34  11.963  -3.784   3.962
   92    HA   GLN  34           HA       GLN  34  11.636  -6.088   5.344
   93   1HB   GLN  34          2HB       GLN  34  11.509  -5.776   2.323
   94   2HB   GLN  34          1HB       GLN  34  11.087  -7.306   3.069
   95   1HG   GLN  34          2HG       GLN  34   9.330  -6.289   4.408
   96   2HG   GLN  34          1HG       GLN  34   9.772  -4.680   3.909
   97   1HE2  GLN  34          1HE2      GLN  34  10.070  -6.376   1.055
   98   2HE2  GLN  34          2HE2      GLN  34   8.463  -6.238   0.526
   99    H    ARG  35           H        ARG  35  14.006  -6.063   2.713
  100    HA   ARG  35           HA       ARG  35  15.052  -8.648   3.840
  101   1HB   ARG  35          2HB       ARG  35  15.737  -7.318   1.216
  102   2HB   ARG  35          1HB       ARG  35  16.248  -8.900   1.768
  103   1HG   ARG  35          2HG       ARG  35  13.830  -9.607   1.964
  104   2HG   ARG  35          1HG       ARG  35  13.339  -8.041   1.349
  105   1HD   ARG  35          2HD       ARG  35  14.549  -8.454  -0.758
  106   2HD   ARG  35          1HD       ARG  35  15.059 -10.035  -0.180
  107    HE   ARG  35           HE       ARG  35  12.627 -10.611   0.077
  108   1HH1  ARG  35          1HH2      ARG  35  13.584  -8.198  -2.211
  109   2HH1  ARG  35          2HH2      ARG  35  12.197  -8.331  -3.184
  110   1HH2  ARG  35          2HH1      ARG  35  10.809 -10.867  -1.152
  111   2HH2  ARG  35          1HH1      ARG  35  10.570  -9.973  -2.588
  112    H    TYR  36           H        TYR  36  15.864  -5.594   4.378
  113    HA   TYR  36           HA       TYR  36  18.697  -6.269   4.984
  114   1HB   TYR  36          2HB       TYR  36  17.638  -3.974   3.343
  115   2HB   TYR  36          1HB       TYR  36  18.975  -3.599   4.398
  116    HD1  TYR  36           HD1      TYR  36  21.003  -5.301   4.307
  117    HD2  TYR  36           HD2      TYR  36  18.157  -4.818   1.173
  118    HE1  TYR  36           HE1      TYR  36  22.608  -6.216   2.711
  119    HE2  TYR  36           HE2      TYR  36  19.781  -5.740  -0.426
  120    HH   TYR  36           HH       TYR  36  22.909  -6.984   0.589
  121   1HT   TYR  36          1HT       TYR  36  19.681  -4.459   6.555
  122   2HT   TYR  36          2HT       TYR  36  18.619  -3.985   7.793
  Start of MODEL   10
    1   1H    ACE  25          1HA       ACE  25   2.995   6.756  -4.363
    2   2H    ACE  25          2HA       ACE  25   1.772   8.020  -4.472
    3   3H    ACE  25          3HA       ACE  25   1.963   7.106  -2.975
    4    H    ARG  25           H        ARG  25   3.011   8.250  -1.456
    5    HA   ARG  25           HA       ARG  25   5.170  10.149  -2.296
    6   1HB   ARG  25          2HB       ARG  25   4.445  11.552  -0.355
    7   2HB   ARG  25          1HB       ARG  25   3.217  11.431  -1.601
    8   1HG   ARG  25          2HG       ARG  25   1.937   9.814  -0.330
    9   2HG   ARG  25          1HG       ARG  25   3.229   9.553   0.814
   10   1HD   ARG  25          2HD       ARG  25   1.473  12.029   0.435
   11   2HD   ARG  25          1HD       ARG  25   1.567  11.064   1.889
   12    HE   ARG  25           HE       ARG  25   3.301  13.234   1.163
   13   1HH1  ARG  25          1HH2      ARG  25   3.326  10.136   2.603
   14   2HH1  ARG  25          2HH2      ARG  25   4.667  10.410   3.632
   15   1HH2  ARG  25          2HH1      ARG  25   5.091  13.709   2.449
   16   2HH2  ARG  25          1HH1      ARG  25   5.725  12.522   3.504
   17    H    HIS  26           H        HIS  26   5.776   7.585  -1.784
   18    HA   HIS  26           HA       HIS  26   7.305   7.729   0.727
   19   1HB   HIS  26          2HB       HIS  26   5.687   5.337  -0.327
   20   2HB   HIS  26          1HB       HIS  26   6.813   5.214   1.014
   21    HD1  HIS  26           HD1      HIS  26   6.246   7.077   2.986
   22    HD2  HIS  26           HD2      HIS  26   3.188   5.955   0.412
   23    HE1  HIS  26           HE1      HIS  26   4.047   7.653   4.033
   24    H    TYR  27           H        TYR  27   9.006   5.676   0.531
   25    HA   TYR  27           HA       TYR  27  10.002   5.687  -2.236
   26   1HB   TYR  27          2HB       TYR  27  11.172   7.063  -0.064
   27   2HB   TYR  27          1HB       TYR  27  12.046   5.551  -0.045
   28    HD1  TYR  27           HD1      TYR  27  13.666   7.697  -0.297
   29    HD2  TYR  27           HD2      TYR  27  11.445   5.965  -3.518
   30    HE1  TYR  27           HE1      TYR  27  15.240   8.627  -1.910
   31    HE2  TYR  27           HE2      TYR  27  13.032   6.910  -5.095
   32    HH   TYR  27           HH       TYR  27  14.858   9.272  -4.695
   33    H    LYS  28           H        LYS  28  11.541   3.973  -2.467
   34    HA   LYS  28           HA       LYS  28  10.604   1.436  -2.378
   35   1HB   LYS  28          2HB       LYS  28  12.941   0.652  -2.600
   36   2HB   LYS  28          1HB       LYS  28  12.624   2.049  -3.603
   37   1HG   LYS  28          2HG       LYS  28  13.693   3.504  -1.829
   38   2HG   LYS  28          1HG       LYS  28  14.058   2.057  -0.908
   39   1HD   LYS  28          2HD       LYS  28  15.172   1.290  -3.243
   40   2HD   LYS  28          1HD       LYS  28  15.202   3.018  -3.539
   41   1HE   LYS  28          2HE       LYS  28  17.305   2.287  -2.452
   42   2HE   LYS  28          1HE       LYS  28  16.407   3.336  -1.348
   43   1HZ   LYS  28          HZ        LYS  28  16.183   0.361  -1.276
   44    H    ASN  29           H        ASN  29  11.956   2.985   0.296
   45    HA   ASN  29           HA       ASN  29  12.928   1.452   2.194
   46   1HB   ASN  29          2HB       ASN  29  11.712   3.725   2.522
   47   2HB   ASN  29          1HB       ASN  29  10.293   2.767   2.930
   48   1HD2  ASN  29          1HD2      ASN  29  12.588   4.417   4.509
   49   2HD2  ASN  29          2HD2      ASN  29  12.814   3.405   5.850
   50    H    LEU  30           H        LEU  30   9.503   1.219   1.812
   51    HA   LEU  30           HA       LEU  30   8.754  -0.831   3.437
   52   1HB   LEU  30          2HB       LEU  30   7.962  -0.599   0.505
   53   2HB   LEU  30          1HB       LEU  30   7.192  -1.698   1.629
   54    HG   LEU  30           HG       LEU  30   6.816   0.483   3.101
   55   1HD1  LEU  30          1HD1      LEU  30   6.365   2.493   1.712
   56   2HD1  LEU  30          2HD1      LEU  30   7.028   1.694   0.303
   57   3HD1  LEU  30          3HD1      LEU  30   8.060   2.124   1.651
   58   1HD2  LEU  30          1HD2      LEU  30   5.031  -0.934   2.147
   59   2HD2  LEU  30          2HD2      LEU  30   5.200  -0.130   0.597
   60   3HD2  LEU  30          3HD2      LEU  30   4.615   0.754   1.996
   61    H    ILE  31           H        ILE  31  10.393  -1.333   0.450
   62    HA   ILE  31           HA       ILE  31  10.629  -4.261   0.903
   63    HB   ILE  31           HB       ILE  31  11.557  -2.564  -1.484
   64   1HG1  ILE  31          2HG1      ILE  31   9.053  -4.315  -1.245
   65   2HG1  ILE  31          1HG1      ILE  31   9.036  -2.563  -1.113
   66   1HG2  ILE  31          1HG2      ILE  31  11.727  -4.763  -2.643
   67   2HG2  ILE  31          2HG2      ILE  31  11.221  -5.593  -1.179
   68   3HG2  ILE  31          3HG2      ILE  31  12.759  -4.751  -1.229
   69   1HD1  ILE  31          1HD1      ILE  31   8.445  -3.246  -3.404
   70   2HD1  ILE  31          2HD1      ILE  31   9.955  -4.110  -3.579
   71   3HD1  ILE  31          3HD1      ILE  31   9.958  -2.358  -3.417
   72    H    GLU  32           H        GLU  32  12.483  -1.525   0.218
   73    HA   GLU  32           HA       GLU  32  15.140  -2.507   0.546
   74   1HB   GLU  32          2HB       GLU  32  14.588  -0.340  -0.379
   75   2HB   GLU  32          1HB       GLU  32  14.034   0.222   1.160
   76   1HG   GLU  32          2HG       GLU  32  16.292   0.229   2.148
   77   2HG   GLU  32          1HG       GLU  32  16.968  -0.586   0.732
   78    H    ARG  33           H        ARG  33  12.813  -2.091   2.824
   79    HA   ARG  33           HA       ARG  33  14.695  -2.059   5.144
   80   1HB   ARG  33          2HB       ARG  33  12.445  -0.606   4.939
   81   2HB   ARG  33          1HB       ARG  33  11.642  -2.076   5.392
   82   1HG   ARG  33          2HG       ARG  33  11.938  -1.109   7.471
   83   2HG   ARG  33          1HG       ARG  33  13.362  -2.129   7.405
   84   1HD   ARG  33          2HD       ARG  33  14.651  -0.182   6.485
   85   2HD   ARG  33          1HD       ARG  33  13.250   0.866   6.700
   86    HE   ARG  33           HE       ARG  33  13.470  -0.036   9.213
   87   1HH1  ARG  33          1HH2      ARG  33  15.967   0.942   7.046
   88   2HH1  ARG  33          2HH2      ARG  33  17.063   1.427   8.265
   89   1HH2  ARG  33          2HH1      ARG  33  14.852   0.568  10.879
   90   2HH2  ARG  33          1HH1      ARG  33  16.397   1.201  10.515
   91    H    GLN  34           H        GLN  34  11.792  -3.603   4.093
   92    HA   GLN  34           HA       GLN  34  11.647  -5.906   5.592
   93   1HB   GLN  34          2HB       GLN  34   9.977  -5.237   3.825
   94   2HB   GLN  34          1HB       GLN  34  11.108  -5.739   2.583
   95   1HG   GLN  34          2HG       GLN  34  11.030  -8.102   3.508
   96   2HG   GLN  34          1HG       GLN  34   9.846  -7.561   4.684
   97   1HE2  GLN  34          1HE2      GLN  34   7.781  -8.233   3.971
   98   2HE2  GLN  34          2HE2      GLN  34   7.282  -8.185   2.347
   99    H    ARG  35           H        ARG  35  13.597  -5.505   2.725
  100    HA   ARG  35           HA       ARG  35  14.798  -8.198   3.098
  101   1HB   ARG  35          2HB       ARG  35  13.991  -6.713   0.865
  102   2HB   ARG  35          1HB       ARG  35  15.716  -6.554   0.802
  103   1HG   ARG  35          2HG       ARG  35  15.098  -9.366   1.331
  104   2HG   ARG  35          1HG       ARG  35  14.062  -8.814   0.038
  105   1HD   ARG  35          2HD       ARG  35  16.085  -9.635  -0.931
  106   2HD   ARG  35          1HD       ARG  35  16.122  -7.885  -1.150
  107    HE   ARG  35           HE       ARG  35  17.417  -7.940   1.135
  108   1HH1  ARG  35          1HH2      ARG  35  17.714 -10.228  -1.402
  109   2HH1  ARG  35          2HH2      ARG  35  19.311 -10.728  -1.019
  110   1HH2  ARG  35          2HH1      ARG  35  19.472  -8.493   1.716
  111   2HH2  ARG  35          1HH1      ARG  35  20.371  -9.665   0.842
  112    H    TYR  36           H        TYR  36  15.423  -5.773   4.712
  113    HA   TYR  36           HA       TYR  36  18.396  -5.970   4.487
  114   1HB   TYR  36          2HB       TYR  36  17.620  -3.772   3.569
  115   2HB   TYR  36          1HB       TYR  36  16.787  -3.429   5.066
  116    HD1  TYR  36           HD1      TYR  36  18.233  -1.306   4.761
  117    HD2  TYR  36           HD2      TYR  36  19.953  -5.090   5.760
  118    HE1  TYR  36           HE1      TYR  36  20.250  -0.191   5.624
  119    HE2  TYR  36           HE2      TYR  36  21.921  -3.973   6.602
  120    HH   TYR  36           HH       TYR  36  23.012  -1.985   6.845
  121   1HT   TYR  36          1HT       TYR  36  15.854  -4.676   6.673
  122   2HT   TYR  36          2HT       TYR  36  16.511  -5.391   8.083
  Start of MODEL   11
    1   1H    ACE  25          1HA       ACE  25   5.620  10.061   4.309
    2   2H    ACE  25          2HA       ACE  25   4.539   9.558   3.010
    3   3H    ACE  25          3HA       ACE  25   6.210   9.980   2.654
    4    H    ARG  25           H        ARG  25   4.209   7.444   2.994
    5    HA   ARG  25           HA       ARG  25   6.369   5.544   3.823
    6   1HB   ARG  25          2HB       ARG  25   4.568   5.853   5.531
    7   2HB   ARG  25          1HB       ARG  25   3.354   5.460   4.336
    8   1HG   ARG  25          2HG       ARG  25   4.373   3.121   4.171
    9   2HG   ARG  25          1HG       ARG  25   5.443   3.560   5.487
   10   1HD   ARG  25          2HD       ARG  25   3.575   3.809   7.024
   11   2HD   ARG  25          1HD       ARG  25   2.426   3.866   5.710
   12    HE   ARG  25           HE       ARG  25   2.914   1.531   5.186
   13   1HH1  ARG  25          1HH2      ARG  25   3.837   2.615   8.343
   14   2HH1  ARG  25          2HH2      ARG  25   3.809   1.057   9.041
   15   1HH2  ARG  25          2HH1      ARG  25   2.875  -0.506   6.035
   16   2HH2  ARG  25          1HH1      ARG  25   3.240  -0.777   7.683
   17    H    HIS  26           H        HIS  26   5.787   6.558   1.185
   18    HA   HIS  26           HA       HIS  26   5.051   4.035  -0.175
   19   1HB   HIS  26          2HB       HIS  26   3.151   5.710  -0.190
   20   2HB   HIS  26          1HB       HIS  26   4.198   6.859  -1.006
   21    HD1  HIS  26           HD1      HIS  26   5.207   5.729  -3.360
   22    HD2  HIS  26           HD2      HIS  26   1.586   4.354  -1.858
   23    HE1  HIS  26           HE1      HIS  26   3.917   4.595  -5.210
   24    H    TYR  27           H        TYR  27   7.517   4.370   0.361
   25    HA   TYR  27           HA       TYR  27   8.877   5.454  -2.066
   26   1HB   TYR  27          2HB       TYR  27   9.872   5.330   0.839
   27   2HB   TYR  27          1HB       TYR  27  10.761   6.002  -0.510
   28    HD1  TYR  27           HD1      TYR  27   9.543   7.316   2.176
   29    HD2  TYR  27           HD2      TYR  27   8.452   7.446  -1.950
   30    HE1  TYR  27           HE1      TYR  27   8.447   9.460   2.513
   31    HE2  TYR  27           HE2      TYR  27   7.361   9.584  -1.593
   32    HH   TYR  27           HH       TYR  27   7.132  11.366  -0.117
   33    H    LYS  28           H        LYS  28  11.395   4.253  -1.181
   34    HA   LYS  28           HA       LYS  28  10.892   1.575  -2.338
   35   1HB   LYS  28          2HB       LYS  28  12.851   3.232  -2.964
   36   2HB   LYS  28          1HB       LYS  28  13.641   2.670  -1.505
   37   1HG   LYS  28          2HG       LYS  28  13.577   0.355  -2.297
   38   2HG   LYS  28          1HG       LYS  28  12.658   0.821  -3.703
   39   1HD   LYS  28          2HD       LYS  28  14.956   0.538  -4.387
   40   2HD   LYS  28          1HD       LYS  28  14.578   2.239  -4.464
   41   1HE   LYS  28          2HE       LYS  28  16.859   1.629  -3.425
   42   2HE   LYS  28          1HE       LYS  28  15.865   2.724  -2.468
   43   1HZ   LYS  28          HZ        LYS  28  15.668  -0.197  -1.951
   44    H    ASN  29           H        ASN  29  11.843   3.002   0.635
   45    HA   ASN  29           HA       ASN  29  12.939   1.211   2.311
   46   1HB   ASN  29          2HB       ASN  29  10.418   2.786   2.981
   47   2HB   ASN  29          1HB       ASN  29  11.552   2.125   4.153
   48   1HD2  ASN  29          1HD2      ASN  29  13.131   3.617   4.784
   49   2HD2  ASN  29          2HD2      ASN  29  13.625   4.917   3.804
   50    H    LEU  30           H        LEU  30   9.579   1.218   1.680
   51    HA   LEU  30           HA       LEU  30   8.454  -0.766   3.123
   52   1HB   LEU  30          2HB       LEU  30   8.147  -0.331   0.111
   53   2HB   LEU  30          1HB       LEU  30   7.116  -1.420   0.999
   54    HG   LEU  30           HG       LEU  30   6.012   0.751   0.626
   55   1HD1  LEU  30          1HD1      LEU  30   6.695   0.321   3.571
   56   2HD1  LEU  30          2HD1      LEU  30   5.426  -0.494   2.666
   57   3HD1  LEU  30          3HD1      LEU  30   5.331   1.230   2.950
   58   1HD2  LEU  30          1HD2      LEU  30   6.739   2.808   1.700
   59   2HD2  LEU  30          2HD2      LEU  30   7.989   2.256   0.602
   60   3HD2  LEU  30          3HD2      LEU  30   8.164   2.052   2.353
   61    H    ILE  31           H        ILE  31  10.390  -1.327   0.300
   62    HA   ILE  31           HA       ILE  31  10.484  -4.241   0.897
   63    HB   ILE  31           HB       ILE  31  11.434  -2.757  -1.621
   64   1HG1  ILE  31          2HG1      ILE  31   8.816  -4.276  -1.112
   65   2HG1  ILE  31          1HG1      ILE  31   8.945  -2.535  -1.231
   66   1HG2  ILE  31          1HG2      ILE  31  12.487  -5.010  -1.240
   67   2HG2  ILE  31          2HG2      ILE  31  11.436  -5.038  -2.633
   68   3HG2  ILE  31          3HG2      ILE  31  10.894  -5.728  -1.114
   69   1HD1  ILE  31          1HD1      ILE  31   9.757  -2.718  -3.577
   70   2HD1  ILE  31          2HD1      ILE  31   8.179  -3.449  -3.359
   71   3HD1  ILE  31          3HD1      ILE  31   9.596  -4.469  -3.488
   72    H    GLU  32           H        GLU  32  12.469  -1.657  -0.005
   73    HA   GLU  32           HA       GLU  32  15.066  -2.643   0.251
   74   1HB   GLU  32          2HB       GLU  32  14.265  -0.376  -0.523
   75   2HB   GLU  32          1HB       GLU  32  14.195   0.114   1.144
   76   1HG   GLU  32          2HG       GLU  32  16.553   0.156   1.410
   77   2HG   GLU  32          1HG       GLU  32  16.839  -0.946   0.059
   78    H    ARG  33           H        ARG  33  12.972  -1.933   2.804
   79    HA   ARG  33           HA       ARG  33  15.078  -2.270   4.886
   80   1HB   ARG  33          2HB       ARG  33  13.310  -0.319   4.860
   81   2HB   ARG  33          1HB       ARG  33  12.137  -1.521   5.315
   82   1HG   ARG  33          2HG       ARG  33  14.693  -0.975   6.909
   83   2HG   ARG  33          1HG       ARG  33  13.189  -0.144   7.227
   84   1HD   ARG  33          2HD       ARG  33  12.089  -2.327   7.798
   85   2HD   ARG  33          1HD       ARG  33  13.582  -3.155   7.415
   86    HE   ARG  33           HE       ARG  33  13.461  -1.059   9.531
   87   1HH1  ARG  33          1HH2      ARG  33  14.296  -4.293   8.549
   88   2HH1  ARG  33          2HH2      ARG  33  15.109  -4.679   9.990
   89   1HH2  ARG  33          2HH1      ARG  33  14.492  -1.513  11.440
   90   2HH2  ARG  33          1HH1      ARG  33  15.215  -3.045  11.698
   91    H    GLN  34           H        GLN  34  12.137  -3.530   3.616
   92    HA   GLN  34           HA       GLN  34  11.485  -5.622   5.403
   93   1HB   GLN  34          2HB       GLN  34  10.508  -4.897   2.911
   94   2HB   GLN  34          1HB       GLN  34  11.425  -6.304   2.458
   95   1HG   GLN  34          2HG       GLN  34   9.246  -7.177   2.951
   96   2HG   GLN  34          1HG       GLN  34  10.217  -7.586   4.346
   97   1HE2  GLN  34          1HE2      GLN  34   9.254  -4.190   4.081
   98   2HE2  GLN  34          2HE2      GLN  34   8.045  -4.311   5.264
   99    H    ARG  35           H        ARG  35  13.663  -5.548   2.695
  100    HA   ARG  35           HA       ARG  35  14.822  -8.185   3.295
  101   1HB   ARG  35          2HB       ARG  35  15.570  -6.044   1.284
  102   2HB   ARG  35          1HB       ARG  35  16.320  -7.617   1.439
  103   1HG   ARG  35          2HG       ARG  35  14.125  -8.734   0.939
  104   2HG   ARG  35          1HG       ARG  35  13.348  -7.165   0.894
  105   1HD   ARG  35          2HD       ARG  35  13.997  -8.197  -1.391
  106   2HD   ARG  35          1HD       ARG  35  14.438  -6.524  -1.103
  107    HE   ARG  35           HE       ARG  35  16.299  -8.864  -0.712
  108   1HH1  ARG  35          1HH2      ARG  35  15.763  -5.598  -1.740
  109   2HH1  ARG  35          2HH2      ARG  35  17.380  -5.332  -2.231
  110   1HH2  ARG  35          2HH1      ARG  35  18.436  -8.551  -1.314
  111   2HH2  ARG  35          1HH1      ARG  35  18.933  -7.034  -1.932
  112    H    TYR  36           H        TYR  36  15.083  -6.723   5.405
  113    HA   TYR  36           HA       TYR  36  18.036  -6.294   5.702
  114   1HB   TYR  36          2HB       TYR  36  16.648  -4.086   5.669
  115   2HB   TYR  36          1HB       TYR  36  15.947  -4.629   7.182
  116    HD1  TYR  36           HD1      TYR  36  17.586  -5.183   9.146
  117    HD2  TYR  36           HD2      TYR  36  18.760  -3.004   5.676
  118    HE1  TYR  36           HE1      TYR  36  19.526  -4.308  10.347
  119    HE2  TYR  36           HE2      TYR  36  20.700  -2.137   6.895
  120    HH   TYR  36           HH       TYR  36  22.106  -3.164   9.098
  121   1HT   TYR  36          1HT       TYR  36  17.863  -8.609   6.428
  122   2HT   TYR  36          2HT       TYR  36  17.248  -8.935   7.979
  Start of MODEL   12
    1   1H    ACE  25          1HA       ACE  25   9.478  10.377  -8.497
    2   2H    ACE  25          2HA       ACE  25   8.145   9.739  -9.463
    3   3H    ACE  25          3HA       ACE  25   9.451   8.671  -8.941
    4    H    ARG  25           H        ARG  25   6.329   9.446  -8.261
    5    HA   ARG  25           HA       ARG  25   6.557   9.271  -5.325
    6   1HB   ARG  25          2HB       ARG  25   4.099   9.223  -7.137
    7   2HB   ARG  25          1HB       ARG  25   4.068   9.299  -5.388
    8   1HG   ARG  25          2HG       ARG  25   5.465  11.443  -5.542
    9   2HG   ARG  25          1HG       ARG  25   5.245  11.386  -7.280
   10   1HD   ARG  25          2HD       ARG  25   2.829  11.509  -7.052
   11   2HD   ARG  25          1HD       ARG  25   2.884  11.450  -5.316
   12    HE   ARG  25           HE       ARG  25   3.724  13.686  -7.078
   13   1HH1  ARG  25          1HH2      ARG  25   3.484  12.416  -3.888
   14   2HH1  ARG  25          2HH2      ARG  25   3.587  13.928  -3.094
   15   1HH2  ARG  25          2HH1      ARG  25   3.916  15.701  -6.127
   16   2HH2  ARG  25          1HH1      ARG  25   3.887  15.867  -4.427
   17    H    HIS  26           H        HIS  26   7.811   7.266  -5.796
   18    HA   HIS  26           HA       HIS  26   6.021   4.905  -5.817
   19   1HB   HIS  26          2HB       HIS  26   7.997   5.229  -7.643
   20   2HB   HIS  26          1HB       HIS  26   9.020   4.703  -6.314
   21    HD1  HIS  26           HD1      HIS  26   5.932   3.547  -8.151
   22    HD2  HIS  26           HD2      HIS  26   9.085   2.040  -5.882
   23    HE1  HIS  26           HE1      HIS  26   5.823   1.049  -8.144
   24    H    TYR  27           H        TYR  27   7.387   3.047  -4.476
   25    HA   TYR  27           HA       TYR  27   8.338   4.342  -1.990
   26   1HB   TYR  27          2HB       TYR  27   6.652   1.829  -2.224
   27   2HB   TYR  27          1HB       TYR  27   7.196   2.595  -0.752
   28    HD1  TYR  27           HD1      TYR  27   6.644   5.297  -0.744
   29    HD2  TYR  27           HD2      TYR  27   4.412   2.297  -2.792
   30    HE1  TYR  27           HE1      TYR  27   4.687   6.759  -0.765
   31    HE2  TYR  27           HE2      TYR  27   2.457   3.777  -2.807
   32    HH   TYR  27           HH       TYR  27   2.222   6.474  -2.708
   33    H    LYS  28           H        LYS  28  10.331   3.763  -1.547
   34    HA   LYS  28           HA       LYS  28  11.462   1.234  -2.685
   35   1HB   LYS  28          2HB       LYS  28  12.725   3.367  -3.135
   36   2HB   LYS  28          1HB       LYS  28  12.898   3.652  -1.416
   37   1HG   LYS  28          2HG       LYS  28  14.084   1.312  -1.338
   38   2HG   LYS  28          1HG       LYS  28  14.172   1.440  -3.079
   39   1HD   LYS  28          2HD       LYS  28  15.391   3.581  -2.901
   40   2HD   LYS  28          1HD       LYS  28  15.256   3.546  -1.156
   41   1HE   LYS  28          2HE       LYS  28  16.862   1.644  -2.910
   42   2HE   LYS  28          1HE       LYS  28  17.457   2.716  -1.649
   43   1HZ   LYS  28          HZ        LYS  28  15.793   0.289  -1.174
   44    H    ASN  29           H        ASN  29  11.844   3.132   0.209
   45    HA   ASN  29           HA       ASN  29  12.878   1.632   2.134
   46   1HB   ASN  29          2HB       ASN  29  10.260   3.184   2.467
   47   2HB   ASN  29          1HB       ASN  29  11.208   2.574   3.815
   48   1HD2  ASN  29          1HD2      ASN  29  10.736   5.410   2.176
   49   2HD2  ASN  29          2HD2      ASN  29  12.293   6.054   2.380
   50    H    LEU  30           H        LEU  30   9.512   1.341   1.532
   51    HA   LEU  30           HA       LEU  30   8.540  -0.576   3.145
   52   1HB   LEU  30          2HB       LEU  30   7.647   0.532   0.822
   53   2HB   LEU  30          1HB       LEU  30   7.985  -1.072   0.216
   54    HG   LEU  30           HG       LEU  30   6.220  -0.472   2.618
   55   1HD1  LEU  30          1HD1      LEU  30   5.230   0.364   0.516
   56   2HD1  LEU  30          2HD1      LEU  30   4.338  -1.036   1.071
   57   3HD1  LEU  30          3HD1      LEU  30   5.478  -1.194  -0.250
   58   1HD2  LEU  30          1HD2      LEU  30   6.623  -3.080   1.066
   59   2HD2  LEU  30          2HD2      LEU  30   5.452  -2.843   2.352
   60   3HD2  LEU  30          3HD2      LEU  30   7.158  -2.771   2.707
   61    H    ILE  31           H        ILE  31  10.518  -1.259   0.381
   62    HA   ILE  31           HA       ILE  31  10.705  -4.116   1.190
   63    HB   ILE  31           HB       ILE  31  11.903  -2.956  -1.373
   64   1HG1  ILE  31          2HG1      ILE  31   9.595  -4.072  -2.323
   65   2HG1  ILE  31          1HG1      ILE  31   9.007  -3.575  -0.751
   66   1HG2  ILE  31          1HG2      ILE  31  11.616  -5.295  -2.175
   67   2HG2  ILE  31          2HG2      ILE  31  10.888  -5.745  -0.644
   68   3HG2  ILE  31          3HG2      ILE  31  12.579  -5.275  -0.712
   69   1HD1  ILE  31          1HD1      ILE  31  10.305  -1.739  -2.812
   70   2HD1  ILE  31          2HD1      ILE  31   9.708  -1.206  -1.261
   71   3HD1  ILE  31          3HD1      ILE  31   8.599  -1.823  -2.457
   72    H    GLU  32           H        GLU  32  12.654  -1.441   0.419
   73    HA   GLU  32           HA       GLU  32  15.248  -2.547   0.790
   74   1HB   GLU  32          2HB       GLU  32  14.612  -0.110   0.075
   75   2HB   GLU  32          1HB       GLU  32  14.583   0.251   1.780
   76   1HG   GLU  32          2HG       GLU  32  16.926  -0.057   2.095
   77   2HG   GLU  32          1HG       GLU  32  17.092  -1.090   0.684
   78    H    ARG  33           H        ARG  33  12.915  -1.825   3.149
   79    HA   ARG  33           HA       ARG  33  14.839  -2.289   5.387
   80   1HB   ARG  33          2HB       ARG  33  13.119  -0.273   5.236
   81   2HB   ARG  33          1HB       ARG  33  11.889  -1.472   5.572
   82   1HG   ARG  33          2HG       ARG  33  13.157  -2.045   7.722
   83   2HG   ARG  33          1HG       ARG  33  14.223  -0.688   7.390
   84   1HD   ARG  33          2HD       ARG  33  12.111   0.773   7.240
   85   2HD   ARG  33          1HD       ARG  33  11.205  -0.579   7.910
   86    HE   ARG  33           HE       ARG  33  12.879  -0.516   9.838
   87   1HH1  ARG  33          1HH2      ARG  33  11.980   2.327   8.084
   88   2HH1  ARG  33          2HH2      ARG  33  12.351   3.408   9.351
   89   1HH2  ARG  33          2HH1      ARG  33  13.345   0.847  11.553
   90   2HH2  ARG  33          1HH1      ARG  33  13.126   2.531  11.386
   91    H    GLN  34           H        GLN  34  12.581  -3.906   3.554
   92    HA   GLN  34           HA       GLN  34  11.895  -5.888   5.643
   93   1HB   GLN  34          2HB       GLN  34  10.126  -5.115   4.015
   94   2HB   GLN  34          1HB       GLN  34  11.085  -5.712   2.677
   95   1HG   GLN  34          2HG       GLN  34  10.872  -8.038   3.471
   96   2HG   GLN  34          1HG       GLN  34  10.027  -7.498   4.912
   97   1HE2  GLN  34          1HE2      GLN  34   7.816  -8.056   4.632
   98   2HE2  GLN  34          2HE2      GLN  34   6.966  -7.842   3.176
   99    H    ARG  35           H        ARG  35  13.480  -5.769   2.507
  100    HA   ARG  35           HA       ARG  35  14.676  -8.464   2.911
  101   1HB   ARG  35          2HB       ARG  35  13.532  -7.603   0.856
  102   2HB   ARG  35          1HB       ARG  35  14.948  -6.625   0.506
  103   1HG   ARG  35          2HG       ARG  35  16.364  -8.752   0.534
  104   2HG   ARG  35          1HG       ARG  35  14.911  -9.692   0.791
  105   1HD   ARG  35          2HD       ARG  35  15.217  -9.860  -1.514
  106   2HD   ARG  35          1HD       ARG  35  14.028  -8.566  -1.434
  107    HE   ARG  35           HE       ARG  35  16.139  -7.024  -1.449
  108   1HH1  ARG  35          1HH2      ARG  35  15.802  -9.991  -3.219
  109   2HH1  ARG  35          2HH2      ARG  35  16.908  -9.565  -4.448
  110   1HH2  ARG  35          2HH1      ARG  35  17.578  -6.411  -3.065
  111   2HH2  ARG  35          1HH1      ARG  35  17.936  -7.472  -4.367
  112    H    TYR  36           H        TYR  36  15.443  -6.743   4.605
  113    HA   TYR  36           HA       TYR  36  18.256  -5.917   3.904
  114   1HB   TYR  36          2HB       TYR  36  16.637  -4.160   4.837
  115   2HB   TYR  36          1HB       TYR  36  16.603  -5.056   6.342
  116    HD1  TYR  36           HD1      TYR  36  19.013  -5.558   7.433
  117    HD2  TYR  36           HD2      TYR  36  18.270  -2.533   4.520
  118    HE1  TYR  36           HE1      TYR  36  21.041  -4.401   8.114
  119    HE2  TYR  36           HE2      TYR  36  20.321  -1.378   5.216
  120    HH   TYR  36           HH       TYR  36  22.552  -2.756   7.501
  121   1HT   TYR  36          1HT       TYR  36  16.362  -7.577   6.501
  122   2HT   TYR  36          2HT       TYR  36  17.700  -8.490   7.030
  Start of MODEL   13
    1   1H    ACE  25          1HA       ACE  25  -2.539   1.008  -4.450
    2   2H    ACE  25          2HA       ACE  25  -1.885   0.408  -2.923
    3   3H    ACE  25          3HA       ACE  25  -1.191  -0.128  -4.454
    4    H    ARG  25           H        ARG  25  -0.561   1.841  -1.937
    5    HA   ARG  25           HA       ARG  25   0.957   3.789  -3.636
    6   1HB   ARG  25          2HB       ARG  25  -0.936   4.716  -2.138
    7   2HB   ARG  25          1HB       ARG  25   0.030   4.220  -0.755
    8   1HG   ARG  25          2HG       ARG  25   1.832   5.681  -1.316
    9   2HG   ARG  25          1HG       ARG  25   1.243   5.980  -2.931
   10   1HD   ARG  25          2HD       ARG  25  -0.897   7.027  -1.583
   11   2HD   ARG  25          1HD       ARG  25   0.256   7.054  -0.272
   12    HE   ARG  25           HE       ARG  25   1.384   8.808  -1.299
   13   1HH1  ARG  25          1HH2      ARG  25  -0.549   7.095  -3.508
   14   2HH1  ARG  25          2HH2      ARG  25  -0.371   8.163  -4.840
   15   1HH2  ARG  25          2HH1      ARG  25   1.745  10.318  -2.984
   16   2HH2  ARG  25          1HH1      ARG  25   1.014  10.075  -4.510
   17    H    HIS  26           H        HIS  26   2.587   2.236  -3.782
   18    HA   HIS  26           HA       HIS  26   4.027   1.550  -1.307
   19   1HB   HIS  26          2HB       HIS  26   4.270   0.525  -4.161
   20   2HB   HIS  26          1HB       HIS  26   5.294  -0.035  -2.854
   21    HD1  HIS  26           HD1      HIS  26   3.915  -1.169  -0.792
   22    HD2  HIS  26           HD2      HIS  26   1.870  -0.638  -4.379
   23    HE1  HIS  26           HE1      HIS  26   1.860  -2.585  -0.781
   24    H    TYR  27           H        TYR  27   6.354   1.662  -1.297
   25    HA   TYR  27           HA       TYR  27   7.555   3.793  -2.954
   26   1HB   TYR  27          2HB       TYR  27   7.025   3.751  -0.036
   27   2HB   TYR  27          1HB       TYR  27   8.720   4.062  -0.346
   28    HD1  TYR  27           HD1      TYR  27   9.082   5.830  -2.395
   29    HD2  TYR  27           HD2      TYR  27   5.588   5.561   0.029
   30    HE1  TYR  27           HE1      TYR  27   8.516   8.126  -2.970
   31    HE2  TYR  27           HE2      TYR  27   5.020   7.874  -0.552
   32    HH   TYR  27           HH       TYR  27   7.200   9.982  -2.154
   33    H    LYS  28           H        LYS  28  10.041   3.663  -1.813
   34    HA   LYS  28           HA       LYS  28  10.948   0.984  -2.739
   35   1HB   LYS  28          2HB       LYS  28  11.882   3.490  -3.372
   36   2HB   LYS  28          1HB       LYS  28  12.910   3.183  -1.988
   37   1HG   LYS  28          2HG       LYS  28  12.666   1.237  -4.298
   38   2HG   LYS  28          1HG       LYS  28  13.855   2.523  -4.258
   39   1HD   LYS  28          2HD       LYS  28  13.597   0.447  -2.080
   40   2HD   LYS  28          1HD       LYS  28  14.614   0.242  -3.484
   41   1HE   LYS  28          2HE       LYS  28  16.227   1.636  -2.714
   42   2HE   LYS  28          1HE       LYS  28  15.085   2.874  -2.183
   43   1HZ   LYS  28          HZ        LYS  28  14.721   1.626  -0.163
   44    H    ASN  29           H        ASN  29  11.772   3.191  -0.103
   45    HA   ASN  29           HA       ASN  29  13.241   1.729   1.590
   46   1HB   ASN  29          2HB       ASN  29  11.891   4.056   1.928
   47   2HB   ASN  29          1HB       ASN  29  10.914   3.042   2.976
   48   1HD2  ASN  29          1HD2      ASN  29  13.616   4.959   2.917
   49   2HD2  ASN  29          2HD2      ASN  29  14.439   4.311   4.253
   50    H    LEU  30           H        LEU  30   9.810   1.497   1.614
   51    HA   LEU  30           HA       LEU  30   9.278  -0.364   3.595
   52   1HB   LEU  30          2HB       LEU  30   8.051  -0.210   0.813
   53   2HB   LEU  30          1HB       LEU  30   7.444  -1.291   2.043
   54    HG   LEU  30           HG       LEU  30   7.086   0.665   3.557
   55   1HD1  LEU  30          1HD1      LEU  30   7.003   2.953   2.508
   56   2HD1  LEU  30          2HD1      LEU  30   7.828   2.284   1.107
   57   3HD1  LEU  30          3HD1      LEU  30   8.622   2.340   2.680
   58   1HD2  LEU  30          1HD2      LEU  30   5.653   0.779   0.878
   59   2HD2  LEU  30          2HD2      LEU  30   5.062   1.487   2.370
   60   3HD2  LEU  30          3HD2      LEU  30   5.224  -0.248   2.238
   61    H    ILE  31           H        ILE  31  10.426  -1.063   0.390
   62    HA   ILE  31           HA       ILE  31  10.534  -3.962   0.887
   63    HB   ILE  31           HB       ILE  31  11.762  -2.246  -1.371
   64   1HG1  ILE  31          2HG1      ILE  31   9.192  -3.912  -1.372
   65   2HG1  ILE  31          1HG1      ILE  31   9.226  -2.170  -1.213
   66   1HG2  ILE  31          1HG2      ILE  31  11.987  -4.405  -2.604
   67   2HG2  ILE  31          2HG2      ILE  31  11.314  -5.268  -1.232
   68   3HG2  ILE  31          3HG2      ILE  31  12.876  -4.475  -1.102
   69   1HD1  ILE  31          1HD1      ILE  31  10.246  -3.714  -3.636
   70   2HD1  ILE  31          2HD1      ILE  31  10.343  -1.967  -3.428
   71   3HD1  ILE  31          3HD1      ILE  31   8.783  -2.753  -3.545
   72    H    GLU  32           H        GLU  32  12.630  -1.380   0.410
   73    HA   GLU  32           HA       GLU  32  15.199  -2.336   0.908
   74   1HB   GLU  32          2HB       GLU  32  14.116   0.103   0.595
   75   2HB   GLU  32          1HB       GLU  32  14.434   0.238   2.295
   76   1HG   GLU  32          2HG       GLU  32  16.542   0.967   1.661
   77   2HG   GLU  32          1HG       GLU  32  16.905  -0.712   1.290
   78    H    ARG  33           H        ARG  33  12.672  -1.917   3.216
   79    HA   ARG  33           HA       ARG  33  14.329  -2.430   5.571
   80   1HB   ARG  33          2HB       ARG  33  11.364  -1.942   5.137
   81   2HB   ARG  33          1HB       ARG  33  12.060  -2.201   6.708
   82   1HG   ARG  33          2HG       ARG  33  12.921   0.001   4.816
   83   2HG   ARG  33          1HG       ARG  33  11.680   0.240   6.019
   84   1HD   ARG  33          2HD       ARG  33  13.706  -0.740   7.637
   85   2HD   ARG  33          1HD       ARG  33  14.628  -0.122   6.300
   86    HE   ARG  33           HE       ARG  33  13.842   2.068   6.640
   87   1HH1  ARG  33          1HH2      ARG  33  12.520  -0.208   8.879
   88   2HH1  ARG  33          2HH2      ARG  33  12.024   0.949  10.036
   89   1HH2  ARG  33          2HH1      ARG  33  13.194   3.664   8.114
   90   2HH2  ARG  33          1HH1      ARG  33  12.409   3.226   9.569
   91    H    GLN  34           H        GLN  34  12.186  -4.217   3.592
   92    HA   GLN  34           HA       GLN  34  11.958  -6.393   5.591
   93   1HB   GLN  34          2HB       GLN  34  10.820  -6.028   2.756
   94   2HB   GLN  34          1HB       GLN  34  10.395  -7.348   3.854
   95   1HG   GLN  34          2HG       GLN  34   9.658  -5.703   5.587
   96   2HG   GLN  34          1HG       GLN  34  10.121  -4.369   4.573
   97   1HE2  GLN  34          1HE2      GLN  34   8.460  -6.839   2.756
   98   2HE2  GLN  34          2HE2      GLN  34   6.961  -6.032   2.803
   99    H    ARG  35           H        ARG  35  13.735  -5.550   2.720
  100    HA   ARG  35           HA       ARG  35  15.007  -8.277   2.700
  101   1HB   ARG  35          2HB       ARG  35  15.159  -5.919   0.761
  102   2HB   ARG  35          1HB       ARG  35  16.246  -7.289   0.716
  103   1HG   ARG  35          2HG       ARG  35  14.271  -8.838   0.345
  104   2HG   ARG  35          1HG       ARG  35  13.206  -7.443   0.377
  105   1HD   ARG  35          2HD       ARG  35  14.154  -6.527  -1.646
  106   2HD   ARG  35          1HD       ARG  35  15.512  -7.628  -1.612
  107    HE   ARG  35           HE       ARG  35  12.656  -8.469  -2.030
  108   1HH1  ARG  35          1HH2      ARG  35  16.036  -8.825  -2.837
  109   2HH1  ARG  35          2HH2      ARG  35  15.762 -10.057  -3.978
  110   1HH2  ARG  35          2HH1      ARG  35  12.302 -10.103  -3.536
  111   2HH2  ARG  35          1HH1      ARG  35  13.616 -10.810  -4.372
  112    H    TYR  36           H        TYR  36  15.378  -6.760   4.855
  113    HA   TYR  36           HA       TYR  36  18.258  -5.924   4.717
  114   1HB   TYR  36          2HB       TYR  36  16.624  -3.978   5.045
  115   2HB   TYR  36          1HB       TYR  36  16.115  -4.711   6.551
  116    HD1  TYR  36           HD1      TYR  36  17.819  -4.922   8.447
  117    HD2  TYR  36           HD2      TYR  36  18.688  -2.772   4.876
  118    HE1  TYR  36           HE1      TYR  36  19.729  -3.856   9.560
  119    HE2  TYR  36           HE2      TYR  36  20.597  -1.702   5.997
  120    HH   TYR  36           HH       TYR  36  21.149  -1.850   9.348
  121   1HT   TYR  36          1HT       TYR  36  19.377  -6.251   6.955
  122   2HT   TYR  36          2HT       TYR  36  18.837  -7.588   7.865
  Start of MODEL   14
    1   1H    ACE  25          1HA       ACE  25  16.221   7.792  -6.155
    2   2H    ACE  25          2HA       ACE  25  14.502   8.144  -6.032
    3   3H    ACE  25          3HA       ACE  25  15.065   6.470  -5.956
    4    H    ARG  25           H        ARG  25  14.927   5.737  -3.916
    5    HA   ARG  25           HA       ARG  25  15.112   5.562  -1.585
    6   1HB   ARG  25          2HB       ARG  25  16.781   8.116  -1.776
    7   2HB   ARG  25          1HB       ARG  25  16.704   7.029  -0.416
    8   1HG   ARG  25          2HG       ARG  25  17.676   5.194  -1.717
    9   2HG   ARG  25          1HG       ARG  25  17.668   6.165  -3.178
   10   1HD   ARG  25          2HD       ARG  25  19.230   7.812  -2.020
   11   2HD   ARG  25          1HD       ARG  25  19.259   6.741  -0.645
   12    HE   ARG  25           HE       ARG  25  20.271   4.998  -1.974
   13   1HH1  ARG  25          1HH2      ARG  25  20.210   8.119  -3.475
   14   2HH1  ARG  25          2HH2      ARG  25  21.491   7.799  -4.556
   15   1HH2  ARG  25          2HH1      ARG  25  21.924   4.506  -3.367
   16   2HH2  ARG  25          1HH1      ARG  25  22.491   5.657  -4.499
   17    H    HIS  26           H        HIS  26  12.835   6.545  -2.497
   18    HA   HIS  26           HA       HIS  26  12.160   8.838  -0.742
   19   1HB   HIS  26          2HB       HIS  26  10.597   7.743  -3.164
   20   2HB   HIS  26          1HB       HIS  26  10.152   9.137  -2.204
   21    HD1  HIS  26           HD1      HIS  26  10.503   9.592  -5.079
   22    HD2  HIS  26           HD2      HIS  26  13.700   9.853  -2.430
   23    HE1  HIS  26           HE1      HIS  26  12.293  11.009  -6.088
   24    H    TYR  27           H        TYR  27  10.181   6.249  -2.127
   25    HA   TYR  27           HA       TYR  27   9.529   5.362   0.654
   26   1HB   TYR  27          2HB       TYR  27   7.795   6.554  -1.316
   27   2HB   TYR  27          1HB       TYR  27   7.318   4.869  -1.116
   28    HD1  TYR  27           HD1      TYR  27   8.571   7.656   1.082
   29    HD2  TYR  27           HD2      TYR  27   5.734   4.511   0.609
   30    HE1  TYR  27           HE1      TYR  27   7.610   8.200   3.253
   31    HE2  TYR  27           HE2      TYR  27   4.773   5.064   2.795
   32    HH   TYR  27           HH       TYR  27   5.584   7.917   4.509
   33    H    LYS  28           H        LYS  28  11.407   4.444  -1.247
   34    HA   LYS  28           HA       LYS  28  10.525   1.914  -2.362
   35   1HB   LYS  28          2HB       LYS  28  12.929   1.525  -2.764
   36   2HB   LYS  28          1HB       LYS  28  12.578   3.175  -3.199
   37   1HG   LYS  28          2HG       LYS  28  13.529   3.962  -1.019
   38   2HG   LYS  28          1HG       LYS  28  13.802   2.303  -0.546
   39   1HD   LYS  28          2HD       LYS  28  15.242   2.070  -2.684
   40   2HD   LYS  28          1HD       LYS  28  15.181   3.809  -2.805
   41   1HE   LYS  28          2HE       LYS  28  17.207   3.067  -1.533
   42   2HE   LYS  28          1HE       LYS  28  16.139   3.941  -0.428
   43    HZ   LYS  28           HZ       LYS  28  15.230   1.720   0.259
   44    H    ASN  29           H        ASN  29  11.774   3.135   0.519
   45    HA   ASN  29           HA       ASN  29  12.776   1.478   2.258
   46   1HB   ASN  29          2HB       ASN  29  10.174   3.034   2.693
   47   2HB   ASN  29          1HB       ASN  29  11.028   2.247   4.008
   48   1HD2  ASN  29          1HD2      ASN  29  10.964   5.203   2.146
   49   2HD2  ASN  29          2HD2      ASN  29  12.431   5.783   2.732
   50    H    LEU  30           H        LEU  30   9.421   1.161   1.584
   51    HA   LEU  30           HA       LEU  30   8.484  -0.936   2.993
   52   1HB   LEU  30          2HB       LEU  30   8.111  -0.297   0.048
   53   2HB   LEU  30          1HB       LEU  30   7.340  -1.710   0.728
   54    HG   LEU  30           HG       LEU  30   6.269  -0.290   2.468
   55   1HD1  LEU  30          1HD1      LEU  30   7.354   2.076   0.871
   56   2HD1  LEU  30          2HD1      LEU  30   7.806   1.660   2.524
   57   3HD1  LEU  30          3HD1      LEU  30   6.182   2.176   2.163
   58   1HD2  LEU  30          1HD2      LEU  30   5.725   0.527  -0.418
   59   2HD2  LEU  30          2HD2      LEU  30   4.593   0.735   0.910
   60   3HD2  LEU  30          3HD2      LEU  30   5.057  -0.877   0.400
   61    H    ILE  31           H        ILE  31  10.534  -1.345   0.246
   62    HA   ILE  31           HA       ILE  31  10.736  -4.272   0.792
   63    HB   ILE  31           HB       ILE  31  11.699  -2.664  -1.651
   64   1HG1  ILE  31          2HG1      ILE  31   9.226  -4.442  -1.324
   65   2HG1  ILE  31          1HG1      ILE  31   9.196  -2.693  -1.361
   66   1HG2  ILE  31          1HG2      ILE  31  12.958  -4.818  -1.287
   67   2HG2  ILE  31          2HG2      ILE  31  11.967  -4.899  -2.721
   68   3HG2  ILE  31          3HG2      ILE  31  11.434  -5.683  -1.247
   69   1HD1  ILE  31          1HD1      ILE  31  10.131  -2.702  -3.681
   70   2HD1  ILE  31          2HD1      ILE  31   8.622  -3.583  -3.577
   71   3HD1  ILE  31          3HD1      ILE  31  10.126  -4.459  -3.672
   72    H    GLU  32           H        GLU  32  12.770  -1.726  -0.137
   73    HA   GLU  32           HA       GLU  32  15.319  -2.672   0.358
   74   1HB   GLU  32          2HB       GLU  32  14.722  -0.290  -0.441
   75   2HB   GLU  32          1HB       GLU  32  14.469   0.111   1.238
   76   1HG   GLU  32          2HG       GLU  32  16.757   0.000   1.819
   77   2HG   GLU  32          1HG       GLU  32  17.157  -1.139   0.541
   78    H    ARG  33           H        ARG  33  13.060  -1.810   2.810
   79    HA   ARG  33           HA       ARG  33  15.086  -2.243   4.952
   80   1HB   ARG  33          2HB       ARG  33  13.508  -0.187   4.888
   81   2HB   ARG  33          1HB       ARG  33  12.198  -1.293   5.225
   82   1HG   ARG  33          2HG       ARG  33  13.558  -2.016   7.327
   83   2HG   ARG  33          1HG       ARG  33  14.595  -0.640   6.995
   84   1HD   ARG  33          2HD       ARG  33  12.513   0.827   6.974
   85   2HD   ARG  33          1HD       ARG  33  11.574  -0.532   7.535
   86    HE   ARG  33           HE       ARG  33  13.611   1.004   9.034
   87   1HH1  ARG  33          1HH2      ARG  33  11.570  -1.764   8.951
   88   2HH1  ARG  33          2HH2      ARG  33  11.545  -2.011  10.648
   89   1HH2  ARG  33          2HH1      ARG  33  13.642   0.768  11.262
   90   2HH2  ARG  33          1HH1      ARG  33  12.781  -0.508  11.996
   91    H    GLN  34           H        GLN  34  12.371  -3.744   3.511
   92    HA   GLN  34           HA       GLN  34  11.735  -5.498   5.735
   93   1HB   GLN  34          2HB       GLN  34  10.101  -4.931   3.906
   94   2HB   GLN  34          1HB       GLN  34  11.125  -5.726   2.728
   95   1HG   GLN  34          2HG       GLN  34   9.811  -7.154   5.080
   96   2HG   GLN  34          1HG       GLN  34   9.175  -7.145   3.446
   97   1HE2  GLN  34          1HE2      GLN  34  10.745  -9.215   5.403
   98   2HE2  GLN  34          2HE2      GLN  34  11.742  -9.975   4.258
   99    H    ARG  35           H        ARG  35  13.494  -5.878   2.696
  100    HA   ARG  35           HA       ARG  35  14.586  -8.480   3.634
  101   1HB   ARG  35          2HB       ARG  35  13.743  -8.093   1.419
  102   2HB   ARG  35          1HB       ARG  35  15.039  -6.960   1.042
  103   1HG   ARG  35          2HG       ARG  35  16.732  -8.853   1.499
  104   2HG   ARG  35          1HG       ARG  35  15.388  -9.948   1.731
  105   1HD   ARG  35          2HD       ARG  35  16.290 -10.246  -0.509
  106   2HD   ARG  35          1HD       ARG  35  14.674  -9.574  -0.660
  107    HE   ARG  35           HE       ARG  35  15.851  -7.313  -0.787
  108   1HH1  ARG  35          1HH2      ARG  35  17.371 -10.185  -2.011
  109   2HH1  ARG  35          2HH2      ARG  35  18.357  -9.357  -3.138
  110   1HH2  ARG  35          2HH1      ARG  35  17.084  -6.199  -2.181
  111   2HH2  ARG  35          1HH1      ARG  35  18.173  -6.981  -3.244
  112    H    TYR  36           H        TYR  36  15.244  -6.759   5.236
  113    HA   TYR  36           HA       TYR  36  18.196  -6.309   4.836
  114   1HB   TYR  36          2HB       TYR  36  16.721  -4.136   4.701
  115   2HB   TYR  36          1HB       TYR  36  16.523  -4.322   6.439
  116    HD1  TYR  36           HD1      TYR  36  19.091  -4.140   3.748
  117    HD2  TYR  36           HD2      TYR  36  18.327  -3.617   7.908
  118    HE1  TYR  36           HE1      TYR  36  21.320  -3.179   4.034
  119    HE2  TYR  36           HE2      TYR  36  20.573  -2.645   8.185
  120    HH   TYR  36           HH       TYR  36  22.518  -1.706   5.569
  121   1HT   TYR  36          1HT       TYR  36  17.420  -8.608   6.126
  122   2HT   TYR  36          2HT       TYR  36  17.651  -8.450   7.805
  Start of MODEL   15
    1   1H    ACE  25          1HA       ACE  25   9.000   5.725  -6.422
    2   2H    ACE  25          2HA       ACE  25  10.124   4.440  -5.983
    3   3H    ACE  25          3HA       ACE  25  10.268   5.236  -7.553
    4    H    ARG  25           H        ARG  25  11.878   6.644  -7.595
    5    HA   ARG  25           HA       ARG  25  13.566   8.113  -6.983
    6   1HB   ARG  25          2HB       ARG  25  11.468   9.531  -6.774
    7   2HB   ARG  25          1HB       ARG  25  11.400   9.158  -5.070
    8   1HG   ARG  25          2HG       ARG  25  13.666  10.201  -4.750
    9   2HG   ARG  25          1HG       ARG  25  13.733  10.564  -6.464
   10   1HD   ARG  25          2HD       ARG  25  11.575  11.953  -6.153
   11   2HD   ARG  25          1HD       ARG  25  11.727  11.644  -4.449
   12    HE   ARG  25           HE       ARG  25  13.793  12.860  -4.348
   13   1HH1  ARG  25          1HH2      ARG  25  12.170  13.093  -7.379
   14   2HH1  ARG  25          2HH2      ARG  25  12.949  14.532  -7.879
   15   1HH2  ARG  25          2HH1      ARG  25  14.866  14.727  -4.927
   16   2HH2  ARG  25          1HH1      ARG  25  14.557  15.479  -6.429
   17    H    HIS  26           H        HIS  26  12.082   7.903  -3.758
   18    HA   HIS  26           HA       HIS  26  14.337   6.323  -2.739
   19   1HB   HIS  26          2HB       HIS  26  14.916   8.893  -2.641
   20   2HB   HIS  26          1HB       HIS  26  13.663   9.007  -1.415
   21    HD1  HIS  26           HD1      HIS  26  14.133   6.814   0.456
   22    HD2  HIS  26           HD2      HIS  26  17.277   8.698  -1.518
   23    HE1  HIS  26           HE1      HIS  26  16.261   6.433   1.735
   24    H    TYR  27           H        TYR  27  11.572   5.935  -3.203
   25    HA   TYR  27           HA       TYR  27  10.529   5.666  -0.415
   26   1HB   TYR  27          2HB       TYR  27   9.292   6.614  -2.944
   27   2HB   TYR  27          1HB       TYR  27   8.306   5.452  -2.082
   28    HD1  TYR  27           HD1      TYR  27  10.549   8.296  -1.016
   29    HD2  TYR  27           HD2      TYR  27   6.690   6.515  -0.767
   30    HE1  TYR  27           HE1      TYR  27   9.828  10.059   0.531
   31    HE2  TYR  27           HE2      TYR  27   5.981   8.277   0.779
   32    HH   TYR  27           HH       TYR  27   7.279   9.851   2.477
   33    H    LYS  28           H        LYS  28  12.151   3.831  -2.043
   34    HA   LYS  28           HA       LYS  28  10.328   1.554  -2.440
   35   1HB   LYS  28          2HB       LYS  28  12.280   0.337  -3.125
   36   2HB   LYS  28          1HB       LYS  28  12.385   1.897  -3.879
   37   1HG   LYS  28          2HG       LYS  28  14.214   2.589  -2.525
   38   2HG   LYS  28          1HG       LYS  28  13.881   1.386  -1.290
   39   1HD   LYS  28          2HD       LYS  28  14.439  -0.427  -3.008
   40   2HD   LYS  28          1HD       LYS  28  14.877   0.842  -4.133
   41   1HE   LYS  28          2HE       LYS  28  16.821  -0.236  -2.807
   42   2HE   LYS  28          1HE       LYS  28  16.767   1.524  -2.780
   43   1HZ   LYS  28          HZ        LYS  28  15.606   1.355  -0.600
   44    H    ASN  29           H        ASN  29  11.703   3.084   0.067
   45    HA   ASN  29           HA       ASN  29  12.812   1.656   2.003
   46   1HB   ASN  29          2HB       ASN  29  10.752   3.744   2.027
   47   2HB   ASN  29          1HB       ASN  29  10.569   2.689   3.413
   48   1HD2  ASN  29          1HD2      ASN  29  12.255   5.429   2.386
   49   2HD2  ASN  29          2HD2      ASN  29  13.521   5.319   3.512
   50    H    LEU  30           H        LEU  30   9.425   1.434   1.533
   51    HA   LEU  30           HA       LEU  30   8.492  -0.423   3.291
   52   1HB   LEU  30          2HB       LEU  30   7.870  -0.253   0.301
   53   2HB   LEU  30          1HB       LEU  30   6.976  -1.287   1.385
   54    HG   LEU  30           HG       LEU  30   6.324   0.677   2.760
   55   1HD1  LEU  30          1HD1      LEU  30   7.669   2.365   0.597
   56   2HD1  LEU  30          2HD1      LEU  30   8.115   2.309   2.308
   57   3HD1  LEU  30          3HD1      LEU  30   6.588   2.981   1.827
   58   1HD2  LEU  30          1HD2      LEU  30   4.704   1.625   1.107
   59   2HD2  LEU  30          2HD2      LEU  30   4.828  -0.115   0.968
   60   3HD2  LEU  30          3HD2      LEU  30   5.633   0.916  -0.199
   61    H    ILE  31           H        ILE  31  10.245  -1.143   0.428
   62    HA   ILE  31           HA       ILE  31  10.447  -4.020   1.178
   63    HB   ILE  31           HB       ILE  31  11.325  -2.652  -1.421
   64   1HG1  ILE  31          2HG1      ILE  31   8.785  -4.261  -0.824
   65   2HG1  ILE  31          1HG1      ILE  31   8.822  -2.520  -1.008
   66   1HG2  ILE  31          1HG2      ILE  31  12.452  -4.861  -0.905
   67   2HG2  ILE  31          2HG2      ILE  31  11.407  -5.006  -2.295
   68   3HG2  ILE  31          3HG2      ILE  31  10.880  -5.612  -0.738
   69   1HD1  ILE  31          1HD1      ILE  31   9.645  -2.790  -3.362
   70   2HD1  ILE  31          2HD1      ILE  31   8.099  -3.568  -3.103
   71   3HD1  ILE  31          3HD1      ILE  31   9.550  -4.537  -3.184
   72    H    GLU  32           H        GLU  32  12.267  -1.243   0.534
   73    HA   GLU  32           HA       GLU  32  14.895  -2.174   0.562
   74   1HB   GLU  32          2HB       GLU  32  14.123   0.362   0.553
   75   2HB   GLU  32          1HB       GLU  32  14.280   0.249   2.304
   76   1HG   GLU  32          2HG       GLU  32  16.465   1.021   1.450
   77   2HG   GLU  32          1HG       GLU  32  16.703  -0.666   1.903
   78    H    ARG  33           H        ARG  33  12.955  -1.555   3.445
   79    HA   ARG  33           HA       ARG  33  15.131  -2.737   5.091
   80   1HB   ARG  33          2HB       ARG  33  12.579  -1.274   5.798
   81   2HB   ARG  33          1HB       ARG  33  13.696  -1.980   6.927
   82   1HG   ARG  33          2HG       ARG  33  15.507  -0.527   5.558
   83   2HG   ARG  33          1HG       ARG  33  14.094   0.392   5.072
   84   1HD   ARG  33          2HD       ARG  33  15.039  -0.111   7.932
   85   2HD   ARG  33          1HD       ARG  33  15.067   1.396   7.050
   86    HE   ARG  33           HE       ARG  33  12.669   1.488   7.024
   87   1HH1  ARG  33          1HH2      ARG  33  13.996  -0.931   9.167
   88   2HH1  ARG  33          2HH2      ARG  33  12.627  -0.976  10.183
   89   1HH2  ARG  33          2HH1      ARG  33  10.849   1.431   8.319
   90   2HH2  ARG  33          1HH1      ARG  33  10.768   0.377   9.658
   91    H    GLN  34           H        GLN  34  13.086  -4.070   3.324
   92    HA   GLN  34           HA       GLN  34  11.813  -5.931   5.266
   93   1HB   GLN  34          2HB       GLN  34  10.559  -5.071   3.181
   94   2HB   GLN  34          1HB       GLN  34  11.741  -5.884   2.174
   95   1HG   GLN  34          2HG       GLN  34  11.073  -8.085   3.213
   96   2HG   GLN  34          1HG       GLN  34   9.797  -7.230   4.077
   97   1HE2  GLN  34          1HE2      GLN  34   7.825  -7.395   2.896
   98   2HE2  GLN  34          2HE2      GLN  34   7.768  -7.355   1.199
   99    H    ARG  35           H        ARG  35  13.744  -6.018   2.309
  100    HA   ARG  35           HA       ARG  35  14.936  -8.522   2.577
  101   1HB   ARG  35          2HB       ARG  35  16.931  -7.563   1.296
  102   2HB   ARG  35          1HB       ARG  35  15.380  -7.262   0.538
  103   1HG   ARG  35          2HG       ARG  35  15.409  -4.954   1.039
  104   2HG   ARG  35          1HG       ARG  35  16.499  -5.116   2.392
  105   1HD   ARG  35          2HD       ARG  35  17.679  -4.092   0.566
  106   2HD   ARG  35          1HD       ARG  35  18.373  -5.653   0.910
  107    HE   ARG  35           HE       ARG  35  17.120  -6.611  -0.975
  108   1HH1  ARG  35          1HH2      ARG  35  17.458  -3.140  -0.899
  109   2HH1  ARG  35          2HH2      ARG  35  17.153  -2.929  -2.541
  110   1HH2  ARG  35          2HH1      ARG  35  16.789  -6.367  -3.216
  111   2HH2  ARG  35          1HH1      ARG  35  16.797  -4.795  -3.881
  112    H    TYR  36           H        TYR  36  15.810  -5.650   3.939
  113    HA   TYR  36           HA       TYR  36  17.593  -6.949   5.970
  114   1HB   TYR  36          2HB       TYR  36  18.809  -5.495   4.057
  115   2HB   TYR  36          1HB       TYR  36  18.105  -4.119   4.888
  116    HD1  TYR  36           HD1      TYR  36  20.129  -7.208   5.596
  117    HD2  TYR  36           HD2      TYR  36  19.299  -3.172   6.700
  118    HE1  TYR  36           HE1      TYR  36  21.955  -7.271   7.214
  119    HE2  TYR  36           HE2      TYR  36  21.143  -3.256   8.322
  120    HH   TYR  36           HH       TYR  36  23.523  -5.293   8.284
  121   1HT   TYR  36          1HT       TYR  36  15.026  -6.802   6.453
  122   2HT   TYR  36          2HT       TYR  36  14.572  -5.429   7.355
  Start of MODEL   16
    1   1H    ACE  25          1HA       ACE  25  16.841   9.514  -0.102
    2   2H    ACE  25          2HA       ACE  25  16.928  11.250   0.154
    3   3H    ACE  25          3HA       ACE  25  16.669  10.616  -1.472
    4    H    ARG  25           H        ARG  25  14.574  10.992  -2.069
    5    HA   ARG  25           HA       ARG  25  12.423  10.706   0.005
    6   1HB   ARG  25          2HB       ARG  25  11.141  12.390  -1.274
    7   2HB   ARG  25          1HB       ARG  25  12.682  13.053  -0.781
    8   1HG   ARG  25          2HG       ARG  25  13.601  12.709  -3.063
    9   2HG   ARG  25          1HG       ARG  25  12.125  11.923  -3.591
   10   1HD   ARG  25          2HD       ARG  25  10.892  14.070  -2.940
   11   2HD   ARG  25          1HD       ARG  25  12.466  14.844  -2.808
   12    HE   ARG  25           HE       ARG  25  12.869  14.005  -5.186
   13   1HH1  ARG  25          1HH2      ARG  25   9.683  14.795  -4.055
   14   2HH1  ARG  25          2HH2      ARG  25   9.082  15.201  -5.605
   15   1HH2  ARG  25          2HH1      ARG  25  12.105  14.486  -7.230
   16   2HH2  ARG  25          1HH1      ARG  25  10.489  14.994  -7.463
   17    H    HIS  26           H        HIS  26  13.085   8.379  -1.047
   18    HA   HIS  26           HA       HIS  26  11.136   7.931  -3.232
   19   1HB   HIS  26          2HB       HIS  26  13.552   6.179  -2.579
   20   2HB   HIS  26          1HB       HIS  26  12.540   6.082  -4.008
   21    HD1  HIS  26           HD1      HIS  26  15.256   8.134  -2.513
   22    HD2  HIS  26           HD2      HIS  26  12.914   8.047  -5.948
   23    HE1  HIS  26           HE1      HIS  26  16.210   9.722  -4.199
   24    H    TYR  27           H        TYR  27   9.933   5.988  -3.201
   25    HA   TYR  27           HA       TYR  27   9.269   5.078  -0.440
   26   1HB   TYR  27          2HB       TYR  27   7.790   5.245  -3.036
   27   2HB   TYR  27          1HB       TYR  27   7.293   4.060  -1.852
   28    HD1  TYR  27           HD1      TYR  27   8.325   7.716  -1.682
   29    HD2  TYR  27           HD2      TYR  27   5.500   4.724  -0.564
   30    HE1  TYR  27           HE1      TYR  27   7.038   9.386  -0.448
   31    HE2  TYR  27           HE2      TYR  27   4.219   6.400   0.667
   32    HH   TYR  27           HH       TYR  27   5.081   9.798   0.710
   33    H    LYS  28           H        LYS  28  11.507   4.101  -1.771
   34    HA   LYS  28           HA       LYS  28  11.015   1.354  -2.717
   35   1HB   LYS  28          2HB       LYS  28  13.079   2.779  -3.380
   36   2HB   LYS  28          1HB       LYS  28  13.677   2.587  -1.745
   37   1HG   LYS  28          2HG       LYS  28  13.838   0.161  -2.025
   38   2HG   LYS  28          1HG       LYS  28  13.028   0.232  -3.570
   39   1HD   LYS  28          2HD       LYS  28  15.430   0.012  -3.935
   40   2HD   LYS  28          1HD       LYS  28  14.941   1.603  -4.475
   41   1HE   LYS  28          2HE       LYS  28  17.077   1.586  -3.108
   42   2HE   LYS  28          1HE       LYS  28  15.839   2.621  -2.407
   43   1HZ   LYS  28          HZ        LYS  28  16.275  -0.208  -1.513
   44    H    ASN  29           H        ASN  29  11.908   3.043   0.082
   45    HA   ASN  29           HA       ASN  29  12.752   1.624   2.109
   46   1HB   ASN  29          2HB       ASN  29  10.273   3.369   2.034
   47   2HB   ASN  29          1HB       ASN  29  10.813   2.665   3.554
   48   1HD2  ASN  29          1HD2      ASN  29  11.445   5.317   1.333
   49   2HD2  ASN  29          2HD2      ASN  29  12.874   5.778   2.110
   50    H    LEU  30           H        LEU  30   9.407   1.316   1.469
   51    HA   LEU  30           HA       LEU  30   8.405  -0.529   3.132
   52   1HB   LEU  30          2HB       LEU  30   8.049  -0.388   0.115
   53   2HB   LEU  30          1HB       LEU  30   7.127  -1.505   1.094
   54    HG   LEU  30           HG       LEU  30   6.195   0.370   2.413
   55   1HD1  LEU  30          1HD1      LEU  30   6.445   2.723   1.637
   56   2HD1  LEU  30          2HD1      LEU  30   7.674   2.223   0.487
   57   3HD1  LEU  30          3HD1      LEU  30   7.957   2.094   2.228
   58   1HD2  LEU  30          1HD2      LEU  30   4.746   1.316   0.604
   59   2HD2  LEU  30          2HD2      LEU  30   4.974  -0.410   0.426
   60   3HD2  LEU  30          3HD2      LEU  30   5.865   0.699  -0.600
   61    H    ILE  31           H        ILE  31  10.353  -1.309   0.411
   62    HA   ILE  31           HA       ILE  31  10.556  -4.150   1.295
   63    HB   ILE  31           HB       ILE  31  11.522  -2.948  -1.343
   64   1HG1  ILE  31          2HG1      ILE  31   9.107  -2.498  -1.239
   65   2HG1  ILE  31          1HG1      ILE  31   9.368  -3.832  -2.329
   66   1HG2  ILE  31          1HG2      ILE  31  10.849  -5.823  -0.560
   67   2HG2  ILE  31          2HG2      ILE  31  12.464  -5.183  -0.797
   68   3HG2  ILE  31          3HG2      ILE  31  11.357  -5.291  -2.152
   69   1HD1  ILE  31          1HD1      ILE  31   8.709  -5.451  -0.537
   70   2HD1  ILE  31          2HD1      ILE  31   7.443  -4.280  -0.832
   71   3HD1  ILE  31          3HD1      ILE  31   8.460  -4.125   0.583
   72    H    GLU  32           H        GLU  32  12.324  -1.390   0.552
   73    HA   GLU  32           HA       GLU  32  14.996  -2.208   0.670
   74   1HB   GLU  32          2HB       GLU  32  13.871   0.212   0.419
   75   2HB   GLU  32          1HB       GLU  32  14.236   0.300   2.136
   76   1HG   GLU  32          2HG       GLU  32  16.456   0.692   1.783
   77   2HG   GLU  32          1HG       GLU  32  16.601  -0.613   0.605
   78    H    ARG  33           H        ARG  33  12.894  -1.592   3.421
   79    HA   ARG  33           HA       ARG  33  15.102  -2.453   5.273
   80   1HB   ARG  33          2HB       ARG  33  13.558  -0.342   5.712
   81   2HB   ARG  33          1HB       ARG  33  12.349  -1.515   6.178
   82   1HG   ARG  33          2HG       ARG  33  14.409  -2.491   7.687
   83   2HG   ARG  33          1HG       ARG  33  14.989  -0.852   7.523
   84   1HD   ARG  33          2HD       ARG  33  13.679  -1.008   9.624
   85   2HD   ARG  33          1HD       ARG  33  12.810  -0.015   8.490
   86    HE   ARG  33           HE       ARG  33  11.301  -1.804   8.003
   87   1HH1  ARG  33          1HH2      ARG  33  13.554  -2.617  10.493
   88   2HH1  ARG  33          2HH2      ARG  33  12.632  -3.927  11.093
   89   1HH2  ARG  33          2HH1      ARG  33  10.082  -3.478   8.700
   90   2HH2  ARG  33          1HH1      ARG  33  10.579  -4.440  10.023
   91    H    GLN  34           H        GLN  34  12.922  -3.873   3.502
   92    HA   GLN  34           HA       GLN  34  11.847  -5.835   5.437
   93   1HB   GLN  34          2HB       GLN  34  10.539  -4.737   3.472
   94   2HB   GLN  34          1HB       GLN  34  11.466  -5.777   2.410
   95   1HG   GLN  34          2HG       GLN  34  10.496  -7.771   3.276
   96   2HG   GLN  34          1HG       GLN  34   9.836  -6.952   4.688
   97   1HE2  GLN  34          1HE2      GLN  34   7.908  -5.722   4.406
   98   2HE2  GLN  34          2HE2      GLN  34   7.033  -5.710   2.952
   99    H    ARG  35           H        ARG  35  13.729  -5.847   2.432
  100    HA   ARG  35           HA       ARG  35  14.795  -8.553   3.177
  101   1HB   ARG  35          2HB       ARG  35  14.941  -6.981   0.594
  102   2HB   ARG  35          1HB       ARG  35  15.671  -8.556   0.872
  103   1HG   ARG  35          2HG       ARG  35  13.042  -9.038   1.705
  104   2HG   ARG  35          1HG       ARG  35  12.753  -7.851   0.450
  105   1HD   ARG  35          2HD       ARG  35  14.292 -10.477   0.121
  106   2HD   ARG  35          1HD       ARG  35  12.677 -10.079  -0.487
  107    HE   ARG  35           HE       ARG  35  14.757  -8.210  -1.320
  108   1HH1  ARG  35          1HH2      ARG  35  13.133 -11.143  -2.040
  109   2HH1  ARG  35          2HH2      ARG  35  13.456 -11.130  -3.723
  110   1HH2  ARG  35          2HH1      ARG  35  15.217  -8.061  -3.508
  111   2HH2  ARG  35          1HH1      ARG  35  14.708  -9.295  -4.582
  112    H    TYR  36           H        TYR  36  15.626  -6.830   4.742
  113    HA   TYR  36           HA       TYR  36  18.514  -6.432   4.133
  114   1HB   TYR  36          2HB       TYR  36  17.386  -4.211   3.902
  115   2HB   TYR  36          1HB       TYR  36  16.636  -4.410   5.479
  116    HD1  TYR  36           HD1      TYR  36  20.117  -4.746   4.069
  117    HD2  TYR  36           HD2      TYR  36  17.664  -3.152   7.164
  118    HE1  TYR  36           HE1      TYR  36  22.094  -3.775   5.143
  119    HE2  TYR  36           HE2      TYR  36  19.643  -2.180   8.226
  120    HH   TYR  36           HH       TYR  36  22.093  -2.565   8.284
  121   1HT   TYR  36          1HT       TYR  36  19.599  -5.900   6.544
  122   2HT   TYR  36          2HT       TYR  36  19.041  -6.977   7.737
  Start of MODEL   17
    1   1H    ACE  25          1HA       ACE  25   4.965  -0.659  -8.666
    2   2H    ACE  25          2HA       ACE  25   4.168  -0.661  -7.099
    3   3H    ACE  25          3HA       ACE  25   5.176  -2.028  -7.571
    4    H    ARG  25           H        ARG  25   6.823   0.496  -8.742
    5    HA   ARG  25           HA       ARG  25   8.543   0.621  -6.316
    6   1HB   ARG  25          2HB       ARG  25   8.991   1.362  -9.249
    7   2HB   ARG  25          1HB       ARG  25  10.184   1.663  -8.014
    8   1HG   ARG  25          2HG       ARG  25   9.000  -1.119  -8.484
    9   2HG   ARG  25          1HG       ARG  25  10.413  -0.567  -9.353
   10   1HD   ARG  25          2HD       ARG  25  10.165  -0.783  -6.297
   11   2HD   ARG  25          1HD       ARG  25  11.074  -1.862  -7.330
   12    HE   ARG  25           HE       ARG  25  12.476   0.034  -8.041
   13   1HH1  ARG  25          1HH2      ARG  25  10.757   0.420  -5.081
   14   2HH1  ARG  25          2HH2      ARG  25  11.830   1.580  -4.423
   15   1HH2  ARG  25          2HH1      ARG  25  13.866   1.553  -7.316
   16   2HH2  ARG  25          1HH1      ARG  25  13.691   2.249  -5.771
   17    H    HIS  26           H        HIS  26   6.472   1.829  -5.756
   18    HA   HIS  26           HA       HIS  26   6.697   4.724  -6.309
   19   1HB   HIS  26          2HB       HIS  26   4.545   3.281  -4.647
   20   2HB   HIS  26          1HB       HIS  26   4.450   4.905  -5.303
   21    HD1  HIS  26           HD1      HIS  26   4.701   4.889  -8.093
   22    HD2  HIS  26           HD2      HIS  26   3.405   1.436  -6.173
   23    HE1  HIS  26           HE1      HIS  26   3.569   3.410  -9.753
   24    H    TYR  27           H        TYR  27   6.917   2.289  -3.851
   25    HA   TYR  27           HA       TYR  27   8.105   4.236  -1.964
   26   1HB   TYR  27          2HB       TYR  27   6.586   1.659  -1.325
   27   2HB   TYR  27          1HB       TYR  27   7.178   2.830  -0.171
   28    HD1  TYR  27           HD1      TYR  27   6.324   5.400  -0.852
   29    HD2  TYR  27           HD2      TYR  27   4.253   1.761  -1.648
   30    HE1  TYR  27           HE1      TYR  27   4.210   6.621  -0.967
   31    HE2  TYR  27           HE2      TYR  27   2.143   2.996  -1.754
   32    HH   TYR  27           HH       TYR  27   1.350   5.265  -2.160
   33    H    LYS  28           H        LYS  28  10.153   3.668  -1.469
   34    HA   LYS  28           HA       LYS  28  11.227   1.080  -2.539
   35   1HB   LYS  28          2HB       LYS  28  12.425   3.231  -3.242
   36   2HB   LYS  28          1HB       LYS  28  12.783   3.542  -1.561
   37   1HG   LYS  28          2HG       LYS  28  14.011   1.368  -1.402
   38   2HG   LYS  28          1HG       LYS  28  13.748   1.075  -3.102
   39   1HD   LYS  28          2HD       LYS  28  15.091   3.035  -3.696
   40   2HD   LYS  28          1HD       LYS  28  15.170   3.546  -2.021
   41   1HE   LYS  28          2HE       LYS  28  16.372   0.959  -3.132
   42   2HE   LYS  28          1HE       LYS  28  17.264   2.393  -2.630
   43   1HZ   LYS  28          HZ        LYS  28  16.201   2.007  -0.337
   44    H    ASN  29           H        ASN  29  11.695   3.105   0.310
   45    HA   ASN  29           HA       ASN  29  13.048   1.538   2.072
   46   1HB   ASN  29          2HB       ASN  29  11.812   3.822   2.517
   47   2HB   ASN  29          1HB       ASN  29  10.456   2.828   3.030
   48   1HD2  ASN  29          1HD2      ASN  29  13.069   4.408   4.275
   49   2HD2  ASN  29          2HD2      ASN  29  13.326   3.426   5.636
   50    H    LEU  30           H        LEU  30   9.643   1.364   1.674
   51    HA   LEU  30           HA       LEU  30   8.685  -0.614   3.242
   52   1HB   LEU  30          2HB       LEU  30   7.695   0.706   1.061
   53   2HB   LEU  30          1HB       LEU  30   7.951  -0.858   0.325
   54    HG   LEU  30           HG       LEU  30   6.321  -0.360   2.834
   55   1HD1  LEU  30          1HD1      LEU  30   5.234   0.587   0.838
   56   2HD1  LEU  30          2HD1      LEU  30   4.362  -0.837   1.366
   57   3HD1  LEU  30          3HD1      LEU  30   5.425  -0.927  -0.028
   58   1HD2  LEU  30          1HD2      LEU  30   7.209  -2.692   2.777
   59   2HD2  LEU  30          2HD2      LEU  30   6.610  -2.890   1.135
   60   3HD2  LEU  30          3HD2      LEU  30   5.493  -2.710   2.478
   61    H    ILE  31           H        ILE  31  10.485  -1.112   0.354
   62    HA   ILE  31           HA       ILE  31  10.592  -4.041   0.700
   63    HB   ILE  31           HB       ILE  31  11.722  -2.214  -1.493
   64   1HG1  ILE  31          2HG1      ILE  31   9.171  -3.911  -1.616
   65   2HG1  ILE  31          1HG1      ILE  31   9.133  -2.224  -1.183
   66   1HG2  ILE  31          1HG2      ILE  31  11.242  -5.236  -1.478
   67   2HG2  ILE  31          2HG2      ILE  31  12.816  -4.468  -1.373
   68   3HG2  ILE  31          3HG2      ILE  31  11.864  -4.310  -2.831
   69   1HD1  ILE  31          1HD1      ILE  31  10.161  -1.608  -3.353
   70   2HD1  ILE  31          2HD1      ILE  31   8.665  -2.491  -3.566
   71   3HD1  ILE  31          3HD1      ILE  31  10.194  -3.299  -3.828
   72    H    GLU  32           H        GLU  32  12.694  -1.428   0.241
   73    HA   GLU  32           HA       GLU  32  15.239  -2.435   0.633
   74   1HB   GLU  32          2HB       GLU  32  14.312   0.119   0.428
   75   2HB   GLU  32          1HB       GLU  32  14.722   0.135   2.125
   76   1HG   GLU  32          2HG       GLU  32  16.850   0.732   1.327
   77   2HG   GLU  32          1HG       GLU  32  17.038  -0.999   1.090
   78    H    ARG  33           H        ARG  33  13.032  -1.747   3.241
   79    HA   ARG  33           HA       ARG  33  15.036  -2.609   5.277
   80   1HB   ARG  33          2HB       ARG  33  13.714  -0.419   5.457
   81   2HB   ARG  33          1HB       ARG  33  12.275  -1.382   5.685
   82   1HG   ARG  33          2HG       ARG  33  13.244  -2.382   7.771
   83   2HG   ARG  33          1HG       ARG  33  14.733  -1.490   7.493
   84   1HD   ARG  33          2HD       ARG  33  13.362   0.652   7.544
   85   2HD   ARG  33          1HD       ARG  33  11.970  -0.291   8.012
   86    HE   ARG  33           HE       ARG  33  14.539  -0.140   9.575
   87   1HH1  ARG  33          1HH2      ARG  33  11.095  -0.413   9.555
   88   2HH1  ARG  33          2HH2      ARG  33  10.924  -0.352  11.262
   89   1HH2  ARG  33          2HH1      ARG  33  14.389  -0.112  11.781
   90   2HH2  ARG  33          1HH1      ARG  33  12.873  -0.221  12.559
   91    H    GLN  34           H        GLN  34  12.627  -3.912   3.496
   92    HA   GLN  34           HA       GLN  34  11.689  -5.855   5.538
   93   1HB   GLN  34          2HB       GLN  34  10.112  -4.778   3.958
   94   2HB   GLN  34          1HB       GLN  34  11.006  -5.365   2.568
   95   1HG   GLN  34          2HG       GLN  34  10.356  -7.715   3.141
   96   2HG   GLN  34          1HG       GLN  34   9.554  -7.144   4.592
   97   1HE2  GLN  34          1HE2      GLN  34   8.712  -4.658   2.674
   98   2HE2  GLN  34          2HE2      GLN  34   7.346  -5.337   1.917
   99    H    ARG  35           H        ARG  35  13.639  -5.456   2.648
  100    HA   ARG  35           HA       ARG  35  14.645  -8.245   2.695
  101   1HB   ARG  35          2HB       ARG  35  15.377  -5.803   1.036
  102   2HB   ARG  35          1HB       ARG  35  16.228  -7.311   0.940
  103   1HG   ARG  35          2HG       ARG  35  13.251  -7.298   0.446
  104   2HG   ARG  35          1HG       ARG  35  14.294  -6.679  -0.814
  105   1HD   ARG  35          2HD       ARG  35  15.588  -9.076  -0.263
  106   2HD   ARG  35          1HD       ARG  35  13.953  -9.504   0.173
  107    HE   ARG  35           HE       ARG  35  13.194  -8.768  -2.064
  108   1HH1  ARG  35          1HH2      ARG  35  16.603  -9.477  -1.693
  109   2HH1  ARG  35          2HH2      ARG  35  16.865  -9.704  -3.358
  110   1HH2  ARG  35          2HH1      ARG  35  13.526  -9.114  -4.241
  111   2HH2  ARG  35          1HH1      ARG  35  15.073  -9.530  -4.838
  112    H    TYR  36           H        TYR  36  15.069  -7.116   5.028
  113    HA   TYR  36           HA       TYR  36  18.026  -6.518   5.087
  114   1HB   TYR  36          2HB       TYR  36  16.387  -4.572   5.731
  115   2HB   TYR  36          1HB       TYR  36  16.145  -5.457   7.233
  116    HD1  TYR  36           HD1      TYR  36  18.418  -6.239   8.471
  117    HD2  TYR  36           HD2      TYR  36  18.211  -3.112   5.570
  118    HE1  TYR  36           HE1      TYR  36  20.533  -5.345   9.280
  119    HE2  TYR  36           HE2      TYR  36  20.331  -2.219   6.405
  120    HH   TYR  36           HH       TYR  36  21.959  -3.526   9.222
  121   1HT   TYR  36          1HT       TYR  36  15.425  -7.786   7.265
  122   2HT   TYR  36          2HT       TYR  36  16.468  -8.904   8.020
  Start of MODEL   18
    1   1H    ACE  25          1HA       ACE  25   4.373  13.635  -3.052
    2   2H    ACE  25          2HA       ACE  25   5.381  12.451  -2.216
    3   3H    ACE  25          3HA       ACE  25   3.701  12.686  -1.725
    4    H    ARG  25           H        ARG  25   5.653  10.664  -3.376
    5    HA   ARG  25           HA       ARG  25   3.394   9.587  -5.012
    6   1HB   ARG  25          2HB       ARG  25   6.363   9.906  -5.773
    7   2HB   ARG  25          1HB       ARG  25   5.239   8.904  -6.691
    8   1HG   ARG  25          2HG       ARG  25   3.771  10.857  -7.094
    9   2HG   ARG  25          1HG       ARG  25   4.770  11.873  -6.096
   10   1HD   ARG  25          2HD       ARG  25   5.727  10.546  -8.659
   11   2HD   ARG  25          1HD       ARG  25   5.158  12.200  -8.559
   12    HE   ARG  25           HE       ARG  25   6.976  12.624  -6.883
   13   1HH1  ARG  25          1HH2      ARG  25   7.355  10.068  -9.198
   14   2HH1  ARG  25          2HH2      ARG  25   9.062  10.085  -9.150
   15   1HH2  ARG  25          2HH1      ARG  25   9.193  12.689  -6.785
   16   2HH2  ARG  25          1HH1      ARG  25  10.138  11.636  -7.740
   17    H    HIS  26           H        HIS  26   6.518   7.993  -4.899
   18    HA   HIS  26           HA       HIS  26   5.543   6.237  -2.742
   19   1HB   HIS  26          2HB       HIS  26   6.109   4.196  -3.982
   20   2HB   HIS  26          1HB       HIS  26   5.035   5.142  -4.986
   21    HD1  HIS  26           HD1      HIS  26   6.698   3.098  -6.331
   22    HD2  HIS  26           HD2      HIS  26   8.052   6.995  -5.786
   23    HE1  HIS  26           HE1      HIS  26   8.461   3.598  -8.024
   24    H    TYR  27           H        TYR  27   7.400   4.652  -2.059
   25    HA   TYR  27           HA       TYR  27  10.052   5.829  -2.353
   26   1HB   TYR  27          2HB       TYR  27  10.268   5.569   0.171
   27   2HB   TYR  27          1HB       TYR  27   9.114   6.818  -0.254
   28    HD1  TYR  27           HD1      TYR  27   6.601   6.159  -0.270
   29    HD2  TYR  27           HD2      TYR  27   9.610   3.690   1.416
   30    HE1  TYR  27           HE1      TYR  27   4.889   4.923   0.959
   31    HE2  TYR  27           HE2      TYR  27   7.879   2.443   2.667
   32    HH   TYR  27           HH       TYR  27   4.468   3.155   2.334
   33    H    LYS  28           H        LYS  28  11.565   4.142  -1.381
   34    HA   LYS  28           HA       LYS  28  10.653   1.465  -2.253
   35   1HB   LYS  28          2HB       LYS  28  13.029   0.989  -2.486
   36   2HB   LYS  28          1HB       LYS  28  12.583   2.417  -3.392
   37   1HG   LYS  28          2HG       LYS  28  13.481   3.827  -1.457
   38   2HG   LYS  28          1HG       LYS  28  13.990   2.342  -0.682
   39   1HD   LYS  28          2HD       LYS  28  15.165   1.944  -3.092
   40   2HD   LYS  28          1HD       LYS  28  15.039   3.691  -3.172
   41   1HE   LYS  28          2HE       LYS  28  17.198   2.991  -2.169
   42   2HE   LYS  28          1HE       LYS  28  16.241   3.838  -0.949
   43   1HZ   LYS  28          HZ        LYS  28  16.234   0.858  -1.250
   44    H    ASN  29           H        ASN  29  11.457   3.069   0.614
   45    HA   ASN  29           HA       ASN  29  12.647   1.396   2.391
   46   1HB   ASN  29          2HB       ASN  29  11.382   3.524   3.098
   47   2HB   ASN  29          1HB       ASN  29   9.916   2.556   3.126
   48   1HD2  ASN  29          1HD2      ASN  29   9.555   1.209   4.940
   49   2HD2  ASN  29          2HD2      ASN  29  10.678   1.083   6.204
   50    H    LEU  30           H        LEU  30   9.331   1.068   1.508
   51    HA   LEU  30           HA       LEU  30   8.309  -1.056   2.828
   52   1HB   LEU  30          2HB       LEU  30   8.180  -0.362  -0.109
   53   2HB   LEU  30          1HB       LEU  30   7.456  -1.872   0.393
   54    HG   LEU  30           HG       LEU  30   6.745   0.784   1.750
   55   1HD1  LEU  30          1HD1      LEU  30   6.166   0.859  -0.694
   56   2HD1  LEU  30          2HD1      LEU  30   4.730   0.762   0.303
   57   3HD1  LEU  30          3HD1      LEU  30   5.316  -0.668  -0.532
   58   1HD2  LEU  30          1HD2      LEU  30   4.777  -0.532   2.485
   59   2HD2  LEU  30          2HD2      LEU  30   6.230  -1.361   2.995
   60   3HD2  LEU  30          3HD2      LEU  30   5.344  -1.935   1.597
   61    H    ILE  31           H        ILE  31  10.563  -1.418   0.212
   62    HA   ILE  31           HA       ILE  31  10.865  -4.309   0.882
   63    HB   ILE  31           HB       ILE  31  11.805  -2.741  -1.580
   64   1HG1  ILE  31          2HG1      ILE  31   9.513  -4.746  -1.206
   65   2HG1  ILE  31          1HG1      ILE  31   9.303  -3.019  -1.368
   66   1HG2  ILE  31          1HG2      ILE  31  11.789  -5.742  -1.040
   67   2HG2  ILE  31          2HG2      ILE  31  13.244  -4.756  -1.049
   68   3HG2  ILE  31          3HG2      ILE  31  12.340  -4.982  -2.527
   69   1HD1  ILE  31          1HD1      ILE  31  10.325  -3.114  -3.662
   70   2HD1  ILE  31          2HD1      ILE  31   8.882  -4.093  -3.525
   71   3HD1  ILE  31          3HD1      ILE  31  10.456  -4.859  -3.515
   72    H    GLU  32           H        GLU  32  12.723  -1.618   0.029
   73    HA   GLU  32           HA       GLU  32  15.339  -2.302   0.501
   74   1HB   GLU  32          2HB       GLU  32  14.574  -0.066  -0.261
   75   2HB   GLU  32          1HB       GLU  32  14.078   0.316   1.375
   76   1HG   GLU  32          2HG       GLU  32  16.437   0.320   2.157
   77   2HG   GLU  32          1HG       GLU  32  16.993  -0.301   0.600
   78    H    ARG  33           H        ARG  33  13.124  -1.486   3.098
   79    HA   ARG  33           HA       ARG  33  15.302  -2.063   5.072
   80   1HB   ARG  33          2HB       ARG  33  13.645   0.051   5.017
   81   2HB   ARG  33          1HB       ARG  33  12.548  -1.052   5.821
   82   1HG   ARG  33          2HG       ARG  33  14.253  -1.418   7.625
   83   2HG   ARG  33          1HG       ARG  33  15.357  -0.334   6.796
   84   1HD   ARG  33          2HD       ARG  33  13.586   1.490   6.935
   85   2HD   ARG  33          1HD       ARG  33  12.635   0.452   7.961
   86    HE   ARG  33           HE       ARG  33  15.372   1.532   8.588
   87   1HH1  ARG  33          1HH2      ARG  33  12.379   0.209   9.726
   88   2HH1  ARG  33          2HH2      ARG  33  12.702   0.526  11.378
   89   1HH2  ARG  33          2HH1      ARG  33  15.852   1.936  10.706
   90   2HH2  ARG  33          1HH1      ARG  33  14.760   1.493  11.940
   91    H    GLN  34           H        GLN  34  12.779  -3.576   3.571
   92    HA   GLN  34           HA       GLN  34  12.021  -5.384   5.770
   93   1HB   GLN  34          2HB       GLN  34  10.338  -4.389   4.204
   94   2HB   GLN  34          1HB       GLN  34  11.067  -5.258   2.876
   95   1HG   GLN  34          2HG       GLN  34  10.520  -7.433   4.010
   96   2HG   GLN  34          1HG       GLN  34   9.789  -6.544   5.336
   97   1HE2  GLN  34          1HE2      GLN  34   7.557  -6.106   5.064
   98   2HE2  GLN  34          2HE2      GLN  34   6.743  -6.209   3.576
   99    H    ARG  35           H        ARG  35  13.450  -5.750   2.541
  100    HA   ARG  35           HA       ARG  35  14.060  -8.587   3.110
  101   1HB   ARG  35          2HB       ARG  35  14.837  -6.860   0.696
  102   2HB   ARG  35          1HB       ARG  35  15.035  -8.597   0.797
  103   1HG   ARG  35          2HG       ARG  35  12.485  -8.764   1.145
  104   2HG   ARG  35          1HG       ARG  35  12.390  -7.052   0.823
  105   1HD   ARG  35          2HD       ARG  35  11.906  -8.116  -1.250
  106   2HD   ARG  35          1HD       ARG  35  13.536  -7.514  -1.441
  107    HE   ARG  35           HE       ARG  35  14.356  -9.818  -0.843
  108   1HH1  ARG  35          1HH2      ARG  35  11.149  -9.423  -2.116
  109   2HH1  ARG  35          2HH2      ARG  35  11.058 -10.994  -2.757
  110   1HH2  ARG  35          2HH1      ARG  35  14.269 -11.906  -1.653
  111   2HH2  ARG  35          1HH1      ARG  35  12.872 -12.458  -2.468
  112    H    TYR  36           H        TYR  36  15.435  -5.622   3.239
  113    HA   TYR  36           HA       TYR  36  18.101  -6.676   4.116
  114   1HB   TYR  36          2HB       TYR  36  17.431  -4.116   2.572
  115   2HB   TYR  36          1HB       TYR  36  18.979  -4.370   3.331
  116    HD1  TYR  36           HD1      TYR  36  20.262  -6.573   2.643
  117    HD2  TYR  36           HD2      TYR  36  17.070  -4.877   0.387
  118    HE1  TYR  36           HE1      TYR  36  21.012  -7.792   0.665
  119    HE2  TYR  36           HE2      TYR  36  17.824  -6.098  -1.595
  120    HH   TYR  36           HH       TYR  36  20.786  -7.920  -1.660
  121   1HT   TYR  36          1HT       TYR  36  16.117  -6.575   5.952
  122   2HT   TYR  36          2HT       TYR  36  16.239  -5.199   6.937
  Start of MODEL   19
    1   1H    ACE  25          1HA       ACE  25   2.251  -3.390  -4.366
    2   2H    ACE  25          2HA       ACE  25   1.342  -3.006  -2.901
    3   3H    ACE  25          3HA       ACE  25   2.236  -4.517  -3.004
    4    H    ARG  25           H        ARG  25   4.153  -2.276  -4.465
    5    HA   ARG  25           HA       ARG  25   5.566  -1.649  -1.892
    6   1HB   ARG  25          2HB       ARG  25   7.668  -1.676  -3.290
    7   2HB   ARG  25          1HB       ARG  25   6.899  -3.243  -3.099
    8   1HG   ARG  25          2HG       ARG  25   5.965  -3.144  -5.355
    9   2HG   ARG  25          1HG       ARG  25   6.395  -1.447  -5.524
   10   1HD   ARG  25          2HD       ARG  25   8.776  -1.976  -5.493
   11   2HD   ARG  25          1HD       ARG  25   8.427  -3.652  -5.090
   12    HE   ARG  25           HE       ARG  25   7.518  -2.338  -7.641
   13   1HH1  ARG  25          1HH2      ARG  25   8.964  -5.039  -6.010
   14   2HH1  ARG  25          2HH2      ARG  25   9.093  -6.003  -7.414
   15   1HH2  ARG  25          2HH1      ARG  25   7.675  -3.550  -9.492
   16   2HH2  ARG  25          1HH1      ARG  25   8.340  -5.120  -9.441
   17    H    HIS  26           H        HIS  26   3.844   0.111  -2.353
   18    HA   HIS  26           HA       HIS  26   3.824   2.168  -4.067
   19   1HB   HIS  26          2HB       HIS  26   3.924   2.556  -1.039
   20   2HB   HIS  26          1HB       HIS  26   3.224   3.680  -2.192
   21    HD1  HIS  26           HD1      HIS  26   1.374   2.293  -3.849
   22    HD2  HIS  26           HD2      HIS  26   2.083   0.941   0.023
   23    HE1  HIS  26           HE1      HIS  26  -0.524   0.855  -3.124
   24    H    TYR  27           H        TYR  27   6.346   2.058  -1.582
   25    HA   TYR  27           HA       TYR  27   7.857   4.114  -3.106
   26   1HB   TYR  27          2HB       TYR  27   6.852   4.223  -0.396
   27   2HB   TYR  27          1HB       TYR  27   8.583   4.079  -0.256
   28    HD1  TYR  27           HD1      TYR  27   6.176   5.877  -2.514
   29    HD2  TYR  27           HD2      TYR  27   9.674   6.147  -0.091
   30    HE1  TYR  27           HE1      TYR  27   6.366   8.246  -3.046
   31    HE2  TYR  27           HE2      TYR  27   9.857   8.519  -0.634
   32    HH   TYR  27           HH       TYR  27   7.364  10.269  -2.206
   33    H    LYS  28           H        LYS  28  10.110   4.005  -1.620
   34    HA   LYS  28           HA       LYS  28  11.328   1.493  -2.598
   35   1HB   LYS  28          2HB       LYS  28  12.467   3.663  -3.051
   36   2HB   LYS  28          1HB       LYS  28  12.623   3.985  -1.340
   37   1HG   LYS  28          2HG       LYS  28  13.909   1.660  -1.291
   38   2HG   LYS  28          1HG       LYS  28  14.012   1.874  -3.028
   39   1HD   LYS  28          2HD       LYS  28  15.118   4.056  -2.716
   40   2HD   LYS  28          1HD       LYS  28  14.992   3.901  -0.975
   41   1HE   LYS  28          2HE       LYS  28  16.677   2.232  -2.877
   42   2HE   LYS  28          1HE       LYS  28  17.216   3.182  -1.499
   43   1HZ   LYS  28          HZ        LYS  28  15.680   0.634  -1.338
   44    H    ASN  29           H        ASN  29  11.920   3.313   0.440
   45    HA   ASN  29           HA       ASN  29  12.947   1.602   2.153
   46   1HB   ASN  29          2HB       ASN  29  10.495   3.317   2.658
   47   2HB   ASN  29          1HB       ASN  29  11.167   2.350   3.961
   48   1HD2  ASN  29          1HD2      ASN  29  12.749   3.507   5.163
   49   2HD2  ASN  29          2HD2      ASN  29  13.712   4.726   4.473
   50    H    LEU  30           H        LEU  30   9.589   1.360   1.526
   51    HA   LEU  30           HA       LEU  30   8.558  -0.617   3.028
   52   1HB   LEU  30          2HB       LEU  30   8.271  -0.289   0.019
   53   2HB   LEU  30          1HB       LEU  30   7.391  -1.528   0.879
   54    HG   LEU  30           HG       LEU  30   6.375   0.209   2.347
   55   1HD1  LEU  30          1HD1      LEU  30   8.031   2.023   2.178
   56   2HD1  LEU  30          2HD1      LEU  30   6.486   2.606   1.626
   57   3HD1  LEU  30          3HD1      LEU  30   7.719   2.173   0.450
   58   1HD2  LEU  30          1HD2      LEU  30   5.178  -0.637   0.390
   59   2HD2  LEU  30          2HD2      LEU  30   5.975   0.522  -0.650
   60   3HD2  LEU  30          3HD2      LEU  30   4.824   1.072   0.567
   61    H    ILE  31           H        ILE  31  10.590  -1.242   0.297
   62    HA   ILE  31           HA       ILE  31  10.731  -4.129   1.078
   63    HB   ILE  31           HB       ILE  31  11.715  -2.768  -1.482
   64   1HG1  ILE  31          2HG1      ILE  31   9.248  -2.678  -1.324
   65   2HG1  ILE  31          1HG1      ILE  31   9.763  -3.739  -2.610
   66   1HG2  ILE  31          1HG2      ILE  31  11.456  -5.737  -0.815
   67   2HG2  ILE  31          2HG2      ILE  31  12.956  -4.857  -1.011
   68   3HG2  ILE  31          3HG2      ILE  31  11.896  -5.082  -2.387
   69   1HD1  ILE  31          1HD1      ILE  31   9.329  -5.737  -1.142
   70   2HD1  ILE  31          2HD1      ILE  31   7.898  -4.747  -1.317
   71   3HD1  ILE  31          3HD1      ILE  31   8.830  -4.663   0.157
   72    H    GLU  32           H        GLU  32  12.694  -1.515   0.191
   73    HA   GLU  32           HA       GLU  32  15.284  -2.483   0.538
   74   1HB   GLU  32          2HB       GLU  32  14.541  -0.087  -0.125
   75   2HB   GLU  32          1HB       GLU  32  14.426   0.248   1.586
   76   1HG   GLU  32          2HG       GLU  32  16.789   0.009   1.941
   77   2HG   GLU  32          1HG       GLU  32  17.021  -0.857   0.432
   78    H    ARG  33           H        ARG  33  12.960  -1.870   2.958
   79    HA   ARG  33           HA       ARG  33  14.892  -2.396   5.139
   80   1HB   ARG  33          2HB       ARG  33  13.418  -0.362   5.304
   81   2HB   ARG  33          1HB       ARG  33  12.001  -1.402   5.283
   82   1HG   ARG  33          2HG       ARG  33  12.700  -2.486   7.372
   83   2HG   ARG  33          1HG       ARG  33  14.237  -1.654   7.355
   84   1HD   ARG  33          2HD       ARG  33  13.079   0.513   7.714
   85   2HD   ARG  33          1HD       ARG  33  11.509  -0.293   7.696
   86    HE   ARG  33           HE       ARG  33  12.291  -1.675   9.603
   87   1HH1  ARG  33          1HH2      ARG  33  13.883   1.409   9.124
   88   2HH1  ARG  33          2HH2      ARG  33  14.417   1.501  10.740
   89   1HH2  ARG  33          2HH1      ARG  33  12.955  -1.540  11.657
   90   2HH2  ARG  33          1HH1      ARG  33  13.862  -0.200  12.229
   91    H    GLN  34           H        GLN  34  12.286  -3.991   3.526
   92    HA   GLN  34           HA       GLN  34  11.807  -5.890   5.754
   93   1HB   GLN  34          2HB       GLN  34  11.026  -6.145   2.784
   94   2HB   GLN  34          1HB       GLN  34  10.633  -7.334   3.995
   95   1HG   GLN  34          2HG       GLN  34   9.652  -4.740   4.920
   96   2HG   GLN  34          1HG       GLN  34   9.119  -5.043   3.276
   97   1HE2  GLN  34          1HE2      GLN  34   8.147  -5.635   6.441
   98   2HE2  GLN  34          2HE2      GLN  34   7.145  -6.972   6.107
   99    H    ARG  35           H        ARG  35  13.496  -5.976   2.647
  100    HA   ARG  35           HA       ARG  35  14.866  -8.487   3.561
  101   1HB   ARG  35          2HB       ARG  35  14.912  -7.124   0.873
  102   2HB   ARG  35          1HB       ARG  35  15.584  -8.695   1.249
  103   1HG   ARG  35          2HG       ARG  35  13.115  -9.288   2.076
  104   2HG   ARG  35          1HG       ARG  35  12.619  -7.914   1.124
  105   1HD   ARG  35          2HD       ARG  35  13.996 -10.444   0.108
  106   2HD   ARG  35          1HD       ARG  35  12.355  -9.952  -0.194
  107    HE   ARG  35           HE       ARG  35  13.139  -8.057  -1.518
  108   1HH1  ARG  35          1HH2      ARG  35  15.487 -10.513  -0.839
  109   2HH1  ARG  35          2HH2      ARG  35  16.498 -10.120  -2.156
  110   1HH2  ARG  35          2HH1      ARG  35  14.406  -7.508  -3.245
  111   2HH2  ARG  35          1HH1      ARG  35  15.874  -8.340  -3.548
  112    H    TYR  36           H        TYR  36  15.631  -6.841   5.051
  113    HA   TYR  36           HA       TYR  36  18.281  -5.742   4.166
  114   1HB   TYR  36          2HB       TYR  36  16.520  -3.956   4.810
  115   2HB   TYR  36          1HB       TYR  36  16.542  -4.597   6.440
  116    HD1  TYR  36           HD1      TYR  36  18.648  -3.096   3.792
  117    HD2  TYR  36           HD2      TYR  36  18.375  -3.993   7.944
  118    HE1  TYR  36           HE1      TYR  36  20.656  -1.774   4.205
  119    HE2  TYR  36           HE2      TYR  36  20.397  -2.658   8.354
  120    HH   TYR  36           HH       TYR  36  22.290  -1.269   5.755
  121   1HT   TYR  36          1HT       TYR  36  19.833  -5.684   6.255
  122   2HT   TYR  36          2HT       TYR  36  19.666  -7.027   7.287
  Start of MODEL   20
    1   1H    ACE  25          1HA       ACE  25   3.567   9.245  -2.522
    2   2H    ACE  25          2HA       ACE  25   3.652  10.821  -3.306
    3   3H    ACE  25          3HA       ACE  25   5.123   9.877  -3.056
    4    H    ARG  25           H        ARG  25   5.790   8.813  -4.853
    5    HA   ARG  25           HA       ARG  25   3.744   8.161  -6.956
    6   1HB   ARG  25          2HB       ARG  25   5.628   9.758  -7.571
    7   2HB   ARG  25          1HB       ARG  25   6.787   8.476  -7.269
    8   1HG   ARG  25          2HG       ARG  25   5.686   7.069  -9.026
    9   2HG   ARG  25          1HG       ARG  25   4.525   8.350  -9.314
   10   1HD   ARG  25          2HD       ARG  25   6.503   9.888  -9.914
   11   2HD   ARG  25          1HD       ARG  25   7.537   8.499  -9.757
   12    HE   ARG  25           HE       ARG  25   6.404   7.384 -11.562
   13   1HH1  ARG  25          1HH2      ARG  25   5.560  10.724 -11.173
   14   2HH1  ARG  25          2HH2      ARG  25   5.006  10.928 -12.773
   15   1HH2  ARG  25          2HH1      ARG  25   5.669   7.586 -13.661
   16   2HH2  ARG  25          1HH1      ARG  25   5.056   9.075 -14.227
   17    H    HIS  26           H        HIS  26   6.887   6.946  -5.828
   18    HA   HIS  26           HA       HIS  26   5.787   4.201  -5.858
   19   1HB   HIS  26          2HB       HIS  26   8.586   5.196  -6.599
   20   2HB   HIS  26          1HB       HIS  26   8.255   3.516  -6.251
   21    HD1  HIS  26           HD1      HIS  26   9.298   3.684  -8.797
   22    HD2  HIS  26           HD2      HIS  26   5.274   4.556  -8.244
   23    HE1  HIS  26           HE1      HIS  26   8.099   3.438 -10.982
   24    H    TYR  27           H        TYR  27   6.946   2.820  -4.245
   25    HA   TYR  27           HA       TYR  27   7.910   4.413  -1.926
   26   1HB   TYR  27          2HB       TYR  27   6.287   1.839  -1.893
   27   2HB   TYR  27          1HB       TYR  27   6.770   2.757  -0.497
   28    HD1  TYR  27           HD1      TYR  27   6.083   5.498  -0.930
   29    HD2  TYR  27           HD2      TYR  27   3.971   2.055  -2.308
   30    HE1  TYR  27           HE1      TYR  27   4.032   6.805  -1.084
   31    HE2  TYR  27           HE2      TYR  27   1.920   3.390  -2.460
   32    HH   TYR  27           HH       TYR  27   1.677   6.289  -2.779
   33    H    LYS  28           H        LYS  28   9.983   3.840  -1.592
   34    HA   LYS  28           HA       LYS  28  11.004   1.249  -2.708
   35   1HB   LYS  28          2HB       LYS  28  12.206   3.240  -3.461
   36   2HB   LYS  28          1HB       LYS  28  12.423   3.816  -1.821
   37   1HG   LYS  28          2HG       LYS  28  13.818   1.716  -1.371
   38   2HG   LYS  28          1HG       LYS  28  13.686   1.338  -3.075
   39   1HD   LYS  28          2HD       LYS  28  14.865   3.352  -3.702
   40   2HD   LYS  28          1HD       LYS  28  14.776   3.997  -2.074
   41   1HE   LYS  28          2HE       LYS  28  16.293   1.472  -2.896
   42   2HE   LYS  28          1HE       LYS  28  17.016   3.021  -2.476
   43   1HZ   LYS  28          HZ        LYS  28  15.942   2.734  -0.200
   44    H    ASN  29           H        ASN  29  11.550   3.254   0.138
   45    HA   ASN  29           HA       ASN  29  12.820   1.832   1.969
   46   1HB   ASN  29          2HB       ASN  29  11.534   3.933   2.521
   47   2HB   ASN  29          1HB       ASN  29  10.054   2.992   2.595
   48   1HD2  ASN  29          1HD2      ASN  29  12.237   4.335   4.642
   49   2HD2  ASN  29          2HD2      ASN  29  12.125   3.209   5.910
   50    H    LEU  30           H        LEU  30   9.465   1.243   1.618
   51    HA   LEU  30           HA       LEU  30   8.768  -0.763   3.228
   52   1HB   LEU  30          2HB       LEU  30   7.669   0.302   1.008
   53   2HB   LEU  30          1HB       LEU  30   8.158  -1.216   0.302
   54    HG   LEU  30           HG       LEU  30   6.429  -0.947   2.778
   55   1HD1  LEU  30          1HD1      LEU  30   5.672  -1.566  -0.119
   56   2HD1  LEU  30          2HD1      LEU  30   5.288  -0.092   0.746
   57   3HD1  LEU  30          3HD1      LEU  30   4.575  -1.608   1.249
   58   1HD2  LEU  30          1HD2      LEU  30   7.608  -3.162   2.692
   59   2HD2  LEU  30          2HD2      LEU  30   7.075  -3.396   1.042
   60   3HD2  LEU  30          3HD2      LEU  30   5.912  -3.365   2.355
   61    H    ILE  31           H        ILE  31  10.620  -1.287   0.334
   62    HA   ILE  31           HA       ILE  31  11.031  -4.146   0.964
   63    HB   ILE  31           HB       ILE  31  12.142  -2.529  -1.395
   64   1HG1  ILE  31          2HG1      ILE  31   9.550  -4.164  -1.221
   65   2HG1  ILE  31          1HG1      ILE  31   9.627  -2.421  -1.318
   66   1HG2  ILE  31          1HG2      ILE  31  11.703  -5.535  -1.025
   67   2HG2  ILE  31          2HG2      ILE  31  13.266  -4.732  -0.964
   68   3HG2  ILE  31          3HG2      ILE  31  12.368  -4.767  -2.458
   69   1HD1  ILE  31          1HD1      ILE  31  10.616  -4.316  -3.490
   70   2HD1  ILE  31          2HD1      ILE  31  10.724  -2.562  -3.543
   71   3HD1  ILE  31          3HD1      ILE  31   9.163  -3.343  -3.535
   72    H    GLU  32           H        GLU  32  12.781  -1.327   0.419
   73    HA   GLU  32           HA       GLU  32  15.453  -1.907   0.757
   74   1HB   GLU  32          2HB       GLU  32  14.089   0.462   0.682
   75   2HB   GLU  32          1HB       GLU  32  14.453   0.453   2.387
   76   1HG   GLU  32          2HG       GLU  32  16.388   1.571   1.575
   77   2HG   GLU  32          1HG       GLU  32  16.976  -0.081   1.418
   78    H    ARG  33           H        ARG  33  13.104  -1.572   3.268
   79    HA   ARG  33           HA       ARG  33  15.003  -2.424   5.395
   80   1HB   ARG  33          2HB       ARG  33  13.649  -0.346   5.626
   81   2HB   ARG  33          1HB       ARG  33  12.184  -1.294   5.574
   82   1HG   ARG  33          2HG       ARG  33  12.973  -2.537   7.662
   83   2HG   ARG  33          1HG       ARG  33  14.357  -1.471   7.708
   84   1HD   ARG  33          2HD       ARG  33  12.971   0.441   8.119
   85   2HD   ARG  33          1HD       ARG  33  11.484  -0.381   7.734
   86    HE   ARG  33           HE       ARG  33  13.161  -0.724  10.163
   87   1HH1  ARG  33          1HH2      ARG  33  10.437  -1.763   8.322
   88   2HH1  ARG  33          2HH2      ARG  33   9.658  -2.571   9.605
   89   1HH2  ARG  33          2HH1      ARG  33  12.212  -1.745  11.885
   90   2HH2  ARG  33          1HH1      ARG  33  10.711  -2.543  11.725
   91    H    GLN  34           H        GLN  34  12.649  -3.860   3.493
   92    HA   GLN  34           HA       GLN  34  11.828  -5.821   5.580
   93   1HB   GLN  34          2HB       GLN  34  10.156  -4.966   3.907
   94   2HB   GLN  34          1HB       GLN  34  11.065  -5.685   2.602
   95   1HG   GLN  34          2HG       GLN  34  10.686  -7.955   3.788
   96   2HG   GLN  34          1HG       GLN  34   9.640  -7.089   4.903
   97   1HE2  GLN  34          1HE2      GLN  34   9.410  -8.978   2.217
   98   2HE2  GLN  34          2HE2      GLN  34   7.991  -8.324   1.545
   99    H    ARG  35           H        ARG  35  13.306  -5.863   2.417
  100    HA   ARG  35           HA       ARG  35  14.154  -8.542   2.306
  101   1HB   ARG  35          2HB       ARG  35  14.351  -6.613   0.494
  102   2HB   ARG  35          1HB       ARG  35  15.823  -6.183   1.315
  103   1HG   ARG  35          2HG       ARG  35  16.653  -7.541  -0.372
  104   2HG   ARG  35          1HG       ARG  35  16.532  -8.688   0.940
  105   1HD   ARG  35          2HD       ARG  35  14.382  -8.291  -1.182
  106   2HD   ARG  35          1HD       ARG  35  15.576  -9.536  -1.268
  107    HE   ARG  35           HE       ARG  35  13.392  -9.271   0.771
  108   1HH1  ARG  35          1HH2      ARG  35  15.829 -11.185  -0.746
  109   2HH1  ARG  35          2HH2      ARG  35  15.290 -12.682  -0.128
  110   1HH2  ARG  35          2HH1      ARG  35  12.659 -11.226   1.691
  111   2HH2  ARG  35          1HH1      ARG  35  13.442 -12.701   1.325
  112    H    TYR  36           H        TYR  36  15.482  -5.890   3.690
  113    HA   TYR  36           HA       TYR  36  17.513  -7.409   5.285
  114   1HB   TYR  36          2HB       TYR  36  17.673  -4.430   4.569
  115   2HB   TYR  36          1HB       TYR  36  18.970  -5.444   5.166
  116    HD1  TYR  36           HD1      TYR  36  17.463  -4.102   2.252
  117    HD2  TYR  36           HD2      TYR  36  19.586  -7.525   3.634
  118    HE1  TYR  36           HE1      TYR  36  18.051  -4.663  -0.054
  119    HE2  TYR  36           HE2      TYR  36  20.175  -8.082   1.323
  120    HH   TYR  36           HH       TYR  36  20.115  -6.082  -1.124
  121   1HT   TYR  36          1HT       TYR  36  14.904  -7.334   6.106
  122   2HT   TYR  36          2HT       TYR  36  14.696  -6.217   7.367