*HEADER    NEUROPEPTIDE                            14-SEP-99   1D0W              
*TITLE     SOLUTION STRUCTURE OF LACTAM-BRIDGED C-TERMINAL ANALOGUE-I            
*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: L24A, I28K, I31L,            
*COMPND   9 T32E, A LACTAM-BRIDGE WAS INTRODUCED BETWEEN POSITIONS (28)          
*COMPND  10 AND (32)                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED.                               
*KEYWDS    LACTAM-BRIDGED, HELIX                                                 
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    S.YAO, R.S.NORTON                                                     
*REVDAT   1   17-JUN-00 1D0W    0                                                



!24A ACE
assign (resid 24A and name  HA#) (resid 24 and name   HN) 0.00 0  4.80
assign (resid 24A and name  HA#) (resid 25 and name   HN) 0.00 0  5.90
!24 ALA
assign (resid 24 and name   HA) (resid 25 and name   HN) 0.00 0  3.40
assign (resid 24 and name   HA) (resid 27 and name  HB2) 0.00 0  4.60
assign (resid 24 and name   HA) (resid 27 and name  HB1) 0.00 0  4.60
assign (resid 24 and name   HA) (resid 27 and name  HB#) 0.00 0  4.62
!25 ARG
assign (resid 25 and name   HN) (resid 25 and name  HG#) 0.00 0  7.70
assign (resid 25 and name   HA) (resid 25 and name  HD#) 0.00 0  8.30
assign (resid 25 and name   HA) (resid 25 and name   HN) 0.00 0  3.60
!26 HIS
assign (resid 26 and name   HA) (resid 27 and name   HN) 0.00 0  3.30
assign (resid 26 and name   HA) (resid 29 and name   HN) 0.00 0  4.70
assign (resid 26 and name   HA) (resid 29 and name  HB#) 0.00 0  5.50
!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  3.70
assign (resid 27 and name   HA) (resid 28 and name   HN) 0.00 0  3.50
assign (resid 27 and name   HA) (resid 30 and name  HB#) 0.00 0  5.50
assign (resid 27 and name   HA) (resid 30 and name   HG) 0.00 0  5.30
assign (resid 27 and name  HB2) (resid 28 and name   HN) 0.00 0  4.10
assign (resid 27 and name  HB1) (resid 28 and name   HN) 0.00 0  4.10
assign (resid 27 and name  HB#) (resid 28 and name   HN) 0.00 0  3.90
assign (resid 27 and name  HB#) (resid 29 and name   HN) 0.00 0  5.38
assign (resid 27 and name  HD#) (resid 28 and name   HN) 0.00 0  8.60
!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  HB#) 0.00 0  3.39
assign (resid 28 and name   HN) (resid 28 and name  HG2) 0.00 0  4.70
assign (resid 28 and name   HN) (resid 28 and name  HG1) 0.00 0  4.70
assign (resid 28 and name   HN) (resid 28 and name  HG#) 0.00 0  4.52
assign (resid 28 and name   HN) (resid 29 and name   HN) 0.00 0  3.40
assign (resid 28 and name   HA) (resid 28 and name  HD#) 0.00 0  6.20
assign (resid 28 and name   HA) (resid 29 and name   HN) 0.00 0  3.50
assign (resid 28 and name   HA) (resid 31 and name   HN) 0.00 0  4.30
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  HB2) (resid 29 and name   HN) 0.00 0  4.30
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  HB1) (resid 29 and name   HN) 0.00 0  4.30
assign (resid 28 and name  HB#) (resid 28 and name  HE#) 0.00 0  5.46
assign (resid 28 and name  HB#) (resid 29 and name   HN) 0.00 0  3.91
assign (resid 28 and name  HG2) (resid 28 and name  HE2) 0.00 0  4.20
assign (resid 28 and name  HG2) (resid 28 and name  HE1) 0.00 0  4.20
assign (resid 28 and name  HG2) (resid 29 and name   HN) 0.00 0  5.50
assign (resid 28 and name  HG1) (resid 28 and name  HE2) 0.00 0  4.20
assign (resid 28 and name  HG1) (resid 28 and name  HE1) 0.00 0  4.20
assign (resid 28 and name  HG1) (resid 29 and name   HN) 0.00 0  5.50
assign (resid 28 and name  HG#) (resid 28 and name  HZ1) 0.00 0  5.18
assign (resid 28 and name  HG#) (resid 29 and name   HN) 0.00 0  5.23
assign (resid 28 and name  HG#) (resid 29 and name   HA) 0.00 0  6.58
assign (resid 28 and name  HD#) (resid 29 and name   HN) 0.00 0  9.00
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  6.50
assign (resid 28 and name  HZ1) (resid 32 and name  HB#) 0.00 0  6.80
assign (resid 28 and name  HZ1) (resid 32 and name  HG2) 0.00 0  4.00
assign (resid 28 and name  HZ1) (resid 32 and name  HG1) 0.00 0  4.00
!29 ASN
assign (resid 29 and name   HN) (resid 32 and name  HB#) 0.00 0  5.70
assign (resid 29 and name   HA) (resid 29 and name HD21) 0.00 0  6.20
assign (resid 29 and name   HA) (resid 29 and name HD22) 0.00 0  6.20
assign (resid 29 and name   HA) (resid 30 and name   HN) 0.00 0  3.00
assign (resid 29 and name   HA) (resid 32 and name   HN) 0.00 0  3.80
assign (resid 29 and name   HA) (resid 32 and name  HB#) 0.00 0  5.20
!30 LEU
assign (resid 30 and name   HN) (resid 30 and name   HG) 0.00 0  3.70
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  8.42
assign (resid 30 and name   HA) (resid 30 and name   HG) 0.00 0  3.70
assign (resid 30 and name   HA) (resid 33 and name   HN) 0.00 0  4.40
assign (resid 30 and name   HA) (resid 33 and name  HB2) 0.00 0  4.00
assign (resid 30 and name   HA) (resid 33 and name  HB1) 0.00 0  4.00
assign (resid 30 and name   HG) (resid 32 and name   HN) 0.00 0  4.80
assign (resid 30 and name HD1#) (resid 33 and name  HG#) 0.00 0  6.30
assign (resid 30 and name HD2#) (resid 33 and name  HG#) 0.00 0  6.30
assign (resid 30 and name  HD#) (resid 31 and name   HG) 0.00 0  5.97
assign (resid 30 and name  HD#) (resid 33 and name  HG#) 0.00 0  5.85
!31 LEU
assign (resid 31 and name   HN) (resid 31 and name   HG) 0.00 0  4.20
assign (resid 31 and name   HN) (resid 31 and name HD1#) 0.00 0  8.30
assign (resid 31 and name   HN) (resid 31 and name HD2#) 0.00 0  8.30
assign (resid 31 and name   HN) (resid 31 and name  HD#) 0.00 0  7.75
assign (resid 31 and name   HN) (resid 32 and name   HN) 0.00 0  3.60
assign (resid 31 and name   HN) (resid 32 and name  HB#) 0.00 0  6.50
assign (resid 31 and name   HA) (resid 31 and name   HG) 0.00 0  3.80
assign (resid 31 and name   HA) (resid 32 and name   HN) 0.00 0  3.50
assign (resid 31 and name  HB#) (resid 32 and name   HN) 0.00 0  5.30
assign (resid 31 and name   HG) (resid 32 and name   HN) 0.00 0  4.70
!32 GLU
assign (resid 32 and name   HN) (resid 32 and name  HG2) 0.00 0  4.70
assign (resid 32 and name   HN) (resid 32 and name  HG1) 0.00 0  4.70
assign (resid 32 and name   HN) (resid 32 and name  HG#) 0.00 0  4.52
assign (resid 32 and name   HA) (resid 32 and name  HG2) 0.00 0  4.20
assign (resid 32 and name   HA) (resid 32 and name  HG1) 0.00 0  4.20
assign (resid 32 and name   HA) (resid 33 and name   HN) 0.00 0  3.20
assign (resid 32 and name   HA) (resid 35 and name   HN) 0.00 0  4.80
assign (resid 32 and name  HG2) (resid 33 and name   HN) 0.00 0  6.70
assign (resid 32 and name  HG1) (resid 33 and name   HN) 0.00 0  6.70
assign (resid 32 and name  HG#) (resid 33 and name   HN) 0.00 0  6.54
!33 ARG
assign (resid 33 and name   HN) (resid 33 and name  HB2) 0.00 0  3.80
assign (resid 33 and name   HN) (resid 33 and name  HB1) 0.00 0  3.80
assign (resid 33 and name   HN) (resid 33 and name  HB#) 0.00 0  3.60
assign (resid 33 and name   HN) (resid 33 and name  HG#) 0.00 0  6.20
assign (resid 33 and name   HN) (resid 34 and name   HN) 0.00 0  3.20
assign (resid 33 and name   HA) (resid 33 and name  HD#) 0.00 0  7.40
assign (resid 33 and name   HA) (resid 34 and name   HN) 0.00 0  3.60
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  4.01
assign (resid 33 and name  HG#) (resid 34 and name   HN) 0.00 0  7.50
!34 GLN
assign (resid 34 and name   HN) (resid 34 and name  HG2) 0.00 0  5.80
assign (resid 34 and name   HN) (resid 34 and name  HG1) 0.00 0  5.80
assign (resid 34 and name   HN) (resid 34 and name  HG#) 0.00 0  5.49
assign (resid 34 and name   HN) (resid 35 and name   HN) 0.00 0  3.30
!35 ARG
assign (resid 35 and name   HN) (resid 35 and name   HA) 0.00 0  2.90
assign (resid 35 and name   HN) (resid 35 and name  HB2) 0.00 0  3.90
assign (resid 35 and name   HN) (resid 35 and name  HB1) 0.00 0  3.90
assign (resid 35 and name   HN) (resid 35 and name  HB#) 0.00 0  3.70
assign (resid 35 and name   HN) (resid 35 and name  HG2) 0.00 0  6.00
assign (resid 35 and name   HN) (resid 35 and name  HG1) 0.00 0  6.00
assign (resid 35 and name   HN) (resid 35 and name  HG#) 0.00 0  5.79
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  7.40
assign (resid 35 and name   HA) (resid 36 and name   HN) 0.00 0  3.40
!36 TYR
assign (resid 36 and name   HN) (resid 36 and name  HB#) 0.00 0  3.80
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 24A and name c) (resid 24 and name n)
             (resid 24 and name ca) (resid 24 and name c)  1  -60.0   40.0  2
      assign (resid 27 and name c) (resid 28 and name n)
             (resid 28 and name ca) (resid 28 and name c)  1  -60.0   30.0  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   30.0  2
      assign (resid 29 and name c) (resid 30 and name n)
             (resid 30 and name ca) (resid 30 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   40.0  2
end





  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HN   AYA  24           H        ALA  24   2.455  -1.284   2.269
    2    HA   AYA  24           HA       ALA  24   3.668  -1.829  -0.344
    3   1HB   AYA  24          1HB       ALA  24   4.341   0.207   1.838
    4   2HB   AYA  24          2HB       ALA  24   3.317   0.497   0.440
    5   3HB   AYA  24          3HB       ALA  24   5.032   0.225   0.239
    6   1HM   AYA  24          1HA       ALA  24   0.884  -4.129   2.695
    7   2HM   AYA  24          2HA       ALA  24  -0.131  -3.213   1.582
    8   3HM   AYA  24          3HA       ALA  24   0.673  -2.390   2.915
    9    H    ARG  25           H        ARG  25   3.920  -3.936   1.401
   10    HA   ARG  25           HA       ARG  25   6.047  -4.417   3.001
   11   1HB   ARG  25          2HB       ARG  25   4.475  -6.178   2.284
   12   2HB   ARG  25          1HB       ARG  25   5.180  -6.220   0.676
   13   1HG   ARG  25          2HG       ARG  25   7.346  -7.010   1.593
   14   2HG   ARG  25          1HG       ARG  25   6.771  -6.804   3.230
   15   1HD   ARG  25          2HD       ARG  25   5.636  -8.766   1.191
   16   2HD   ARG  25          1HD       ARG  25   6.665  -9.224   2.517
   17    HE   ARG  25           HE       ARG  25   3.862  -8.239   2.652
   18   1HH1  ARG  25          1HH2      ARG  25   6.676  -9.274   4.364
   19   2HH1  ARG  25          2HH2      ARG  25   5.857  -9.629   5.823
   20   1HH2  ARG  25          2HH1      ARG  25   2.727  -8.641   4.526
   21   2HH2  ARG  25          1HH1      ARG  25   3.528  -9.219   5.919
   22    H    HIS  26           H        HIS  26   6.425  -4.742  -0.507
   23    HA   HIS  26           HA       HIS  26   9.374  -4.389  -0.133
   24   1HB   HIS  26          2HB       HIS  26   9.513  -5.542  -2.384
   25   2HB   HIS  26          1HB       HIS  26   8.734  -6.546  -1.171
   26    HD1  HIS  26           HD1      HIS  26   7.652  -4.046  -3.795
   27    HD2  HIS  26           HD2      HIS  26   6.401  -7.551  -1.940
   28    HE1  HIS  26           HE1      HIS  26   5.491  -4.820  -4.849
   29    H    TYR  27           H        TYR  27   7.912  -2.186   0.060
   30    HA   TYR  27           HA       TYR  27   8.674  -0.689  -2.403
   31   1HB   TYR  27          2HB       TYR  27   5.986  -0.921  -1.142
   32   2HB   TYR  27          1HB       TYR  27   6.439   0.718  -1.605
   33    HD1  TYR  27           HD1      TYR  27   7.506   0.916  -4.003
   34    HD2  TYR  27           HD2      TYR  27   5.012  -2.317  -2.777
   35    HE1  TYR  27           HE1      TYR  27   7.003   0.414  -6.338
   36    HE2  TYR  27           HE2      TYR  27   4.510  -2.800  -5.129
   37    HH   TYR  27           HH       TYR  27   5.095  -0.727  -7.607
   38    H    LYS  28           H        LYS  28   7.301   0.025   0.750
   39    HA   LYS  28           HA       LYS  28   8.456   2.542   1.110
   40   1HB   LYS  28          2HB       LYS  28   6.739   1.495   2.632
   41   2HB   LYS  28          1HB       LYS  28   7.946   0.384   3.248
   42   1HG   LYS  28          2HG       LYS  28   8.578   3.332   3.417
   43   2HG   LYS  28          1HG       LYS  28   7.330   2.726   4.475
   44   1HD   LYS  28          2HD       LYS  28   8.755   1.409   5.699
   45   2HD   LYS  28          1HD       LYS  28   9.807   1.082   4.348
   46   1HE   LYS  28          2HE       LYS  28   9.557   3.812   5.732
   47   2HE   LYS  28          1HE       LYS  28  10.815   2.659   6.130
   48    HZ   LYS  28           HZ       LYS  28  10.493   3.587   3.310
   49    H    ASN  29           H        ASN  29   9.947  -0.458   2.229
   50    HA   ASN  29           HA       ASN  29  12.410   1.018   2.824
   51   1HB   ASN  29          2HB       ASN  29  11.665  -1.917   3.049
   52   2HB   ASN  29          1HB       ASN  29  13.340  -1.456   3.174
   53   1HD2  ASN  29          1HD2      ASN  29  11.593   1.163   4.612
   54   2HD2  ASN  29          2HD2      ASN  29  11.672   0.538   6.171
   55    H    LEU  30           H        LEU  30  11.491   0.736  -0.054
   56    HA   LEU  30           HA       LEU  30  13.985  -0.479  -1.209
   57   1HB   LEU  30          2HB       LEU  30  12.336  -1.334  -2.614
   58   2HB   LEU  30          1HB       LEU  30  11.141  -0.184  -2.120
   59    HG   LEU  30           HG       LEU  30  12.128   1.517  -3.648
   60   1HD1  LEU  30          1HD1      LEU  30  13.806   0.789  -5.344
   61   2HD1  LEU  30          2HD1      LEU  30  13.909  -0.794  -4.588
   62   3HD1  LEU  30          3HD1      LEU  30  14.485   0.633  -3.742
   63   1HD2  LEU  30          1HD2      LEU  30  11.402  -1.125  -4.943
   64   2HD2  LEU  30          2HD2      LEU  30  11.381   0.442  -5.738
   65   3HD2  LEU  30          3HD2      LEU  30  10.287   0.124  -4.404
   66    H    LEU  31           H        LEU  31  11.874   2.385  -1.559
   67    HA   LEU  31           HA       LEU  31  13.910   3.991  -2.819
   68   1HB   LEU  31          2HB       LEU  31  12.486   5.939  -2.049
   69   2HB   LEU  31          1HB       LEU  31  11.585   4.707  -2.892
   70    HG   LEU  31           HG       LEU  31  11.335   3.811  -0.288
   71   1HD1  LEU  31          1HD1      LEU  31  12.491   5.913   0.582
   72   2HD1  LEU  31          2HD1      LEU  31  10.816   5.823   1.122
   73   3HD1  LEU  31          3HD1      LEU  31  11.259   6.880  -0.202
   74   1HD2  LEU  31          1HD2      LEU  31   9.054   4.746  -0.363
   75   2HD2  LEU  31          2HD2      LEU  31   9.508   4.036  -1.898
   76   3HD2  LEU  31          3HD2      LEU  31   9.511   5.785  -1.709
   77    H    GLU  32           H        GLU  32  13.530   2.803   0.266
   78    HA   GLU  32           HA       GLU  32  15.471   4.680   1.538
   79   1HB   GLU  32          2HB       GLU  32  13.959   2.356   2.813
   80   2HB   GLU  32          1HB       GLU  32  14.844   3.579   3.660
   81   1HG   GLU  32          2HG       GLU  32  13.120   5.299   3.073
   82   2HG   GLU  32          1HG       GLU  32  12.232   4.099   2.145
   83    H    ARG  33           H        ARG  33  16.174   2.552  -0.536
   84    HA   ARG  33           HA       ARG  33  17.788   0.702   1.175
   85   1HB   ARG  33          2HB       ARG  33  17.985  -0.749  -0.797
   86   2HB   ARG  33          1HB       ARG  33  16.333  -0.273  -0.594
   87   1HG   ARG  33          2HG       ARG  33  16.301   0.229  -2.758
   88   2HG   ARG  33          1HG       ARG  33  17.181   1.672  -2.394
   89   1HD   ARG  33          2HD       ARG  33  18.345   0.582  -4.208
   90   2HD   ARG  33          1HD       ARG  33  19.339   0.293  -2.798
   91    HE   ARG  33           HE       ARG  33  17.293  -1.671  -3.804
   92   1HH1  ARG  33          1HH2      ARG  33  20.523  -1.058  -2.740
   93   2HH1  ARG  33          2HH2      ARG  33  20.981  -2.702  -2.717
   94   1HH2  ARG  33          2HH1      ARG  33  17.838  -3.819  -3.858
   95   2HH2  ARG  33          1HH1      ARG  33  19.406  -4.310  -3.392
   96    H    GLN  34           H        GLN  34  18.248   2.941  -1.510
   97    HA   GLN  34           HA       GLN  34  20.940   2.739  -2.060
   98   1HB   GLN  34          2HB       GLN  34  19.466   5.401  -1.692
   99   2HB   GLN  34          1HB       GLN  34  20.932   5.153  -2.613
  100   1HG   GLN  34          2HG       GLN  34  18.191   3.972  -3.325
  101   2HG   GLN  34          1HG       GLN  34  19.008   5.289  -4.136
  102   1HE2  GLN  34          1HE2      GLN  34  20.294   4.684  -5.932
  103   2HE2  GLN  34          2HE2      GLN  34  20.795   3.085  -6.213
  104    H    ARG  35           H        ARG  35  19.609   4.458   0.712
  105    HA   ARG  35           HA       ARG  35  22.356   4.710   1.798
  106   1HB   ARG  35          2HB       ARG  35  19.908   6.407   2.495
  107   2HB   ARG  35          1HB       ARG  35  21.543   6.668   3.057
  108   1HG   ARG  35          2HG       ARG  35  22.290   7.013   0.659
  109   2HG   ARG  35          1HG       ARG  35  20.637   6.802   0.140
  110   1HD   ARG  35          2HD       ARG  35  21.197   9.236   0.312
  111   2HD   ARG  35          1HD       ARG  35  19.913   8.752   1.422
  112    HE   ARG  35           HE       ARG  35  22.731   8.755   2.375
  113   1HH1  ARG  35          1HH2      ARG  35  19.587  10.241   2.498
  114   2HH1  ARG  35          2HH2      ARG  35  19.896  11.086   3.947
  115   1HH2  ARG  35          2HH1      ARG  35  23.170   9.844   4.244
  116   2HH2  ARG  35          1HH1      ARG  35  22.026  10.908   4.946
  117    H    TYR  36           H        TYR  36  21.241   2.298   2.139
  118    HA   TYR  36           HA       TYR  36  19.851   2.229   4.766
  119   1HB   TYR  36          2HB       TYR  36  19.494   0.643   2.645
  120   2HB   TYR  36          1HB       TYR  36  20.876  -0.216   3.285
  121    HD1  TYR  36           HD1      TYR  36  17.482   1.043   4.197
  122    HD2  TYR  36           HD2      TYR  36  20.558  -1.751   5.113
  123    HE1  TYR  36           HE1      TYR  36  15.983  -0.078   5.746
  124    HE2  TYR  36           HE2      TYR  36  19.039  -2.887   6.680
  125    HH   TYR  36           HH       TYR  36  15.664  -2.168   6.817
  126   1HT   TYR  36          1HT       TYR  36  22.065   3.429   5.353
  127   2HT   TYR  36          2HT       TYR  36  23.268   2.408   6.021
  Start of MODEL    2
    1    HN   AYA  24           H        ALA  24   1.297  -3.191   0.360
    2    HA   AYA  24           HA       ALA  24   3.884  -2.396  -0.775
    3   1HB   AYA  24          1HB       ALA  24   2.166  -1.041   1.369
    4   2HB   AYA  24          2HB       ALA  24   2.068  -0.697  -0.353
    5   3HB   AYA  24          3HB       ALA  24   3.530  -0.306   0.545
    6   1HM   AYA  24          1HA       ALA  24   0.310  -5.030  -0.269
    7   2HM   AYA  24          2HA       ALA  24   1.407  -6.413  -0.286
    8   3HM   AYA  24          3HA       ALA  24   0.951  -5.627  -1.798
    9    H    ARG  25           H        ARG  25   4.725  -4.467   0.211
   10    HA   ARG  25           HA       ARG  25   5.509  -4.182   3.075
   11   1HB   ARG  25          2HB       ARG  25   5.945  -6.474   1.084
   12   2HB   ARG  25          1HB       ARG  25   6.455  -6.507   2.760
   13   1HG   ARG  25          2HG       ARG  25   4.039  -6.141   3.451
   14   2HG   ARG  25          1HG       ARG  25   3.571  -6.268   1.764
   15   1HD   ARG  25          2HD       ARG  25   4.452  -8.553   1.636
   16   2HD   ARG  25          1HD       ARG  25   5.068  -8.484   3.281
   17    HE   ARG  25           HE       ARG  25   2.618  -8.061   3.947
   18   1HH1  ARG  25          1HH2      ARG  25   3.520 -10.071   1.260
   19   2HH1  ARG  25          2HH2      ARG  25   2.099 -11.007   1.309
   20   1HH2  ARG  25          2HH1      ARG  25   0.777  -9.268   4.057
   21   2HH2  ARG  25          1HH1      ARG  25   0.492 -10.561   2.973
   22    H    HIS  26           H        HIS  26   7.101  -4.548  -0.092
   23    HA   HIS  26           HA       HIS  26   9.598  -3.445   1.166
   24   1HB   HIS  26          2HB       HIS  26   9.690  -5.866   0.386
   25   2HB   HIS  26          1HB       HIS  26   9.403  -5.297  -1.256
   26    HD1  HIS  26           HD1      HIS  26  11.194  -3.347  -1.951
   27    HD2  HIS  26           HD2      HIS  26  12.275  -6.038   1.018
   28    HE1  HIS  26           HE1      HIS  26  13.706  -3.348  -1.715
   29    H    TYR  27           H        TYR  27   8.156  -1.500   0.620
   30    HA   TYR  27           HA       TYR  27   8.838  -0.496  -2.139
   31   1HB   TYR  27          2HB       TYR  27   6.292  -0.789  -1.391
   32   2HB   TYR  27          1HB       TYR  27   6.566   0.644  -0.423
   33    HD1  TYR  27           HD1      TYR  27   7.002  -0.634  -3.913
   34    HD2  TYR  27           HD2      TYR  27   6.296   2.782  -1.456
   35    HE1  TYR  27           HE1      TYR  27   6.635   0.730  -5.907
   36    HE2  TYR  27           HE2      TYR  27   5.929   4.137  -3.475
   37    HH   TYR  27           HH       TYR  27   5.233   3.001  -6.370
   38    H    LYS  28           H        LYS  28   7.986   0.680   1.066
   39    HA   LYS  28           HA       LYS  28   9.423   3.108   1.018
   40   1HB   LYS  28          2HB       LYS  28   7.773   2.328   2.875
   41   2HB   LYS  28          1HB       LYS  28   9.062   1.325   3.503
   42   1HG   LYS  28          2HG       LYS  28   9.221   3.335   4.748
   43   2HG   LYS  28          1HG       LYS  28  10.497   3.502   3.558
   44   1HD   LYS  28          2HD       LYS  28   8.640   4.721   2.108
   45   2HD   LYS  28          1HD       LYS  28   7.770   4.815   3.622
   46   1HE   LYS  28          2HE       LYS  28   9.080   6.843   3.353
   47   2HE   LYS  28          1HE       LYS  28   9.824   5.904   4.643
   48    HZ   LYS  28           HZ       LYS  28  10.787   5.789   1.809
   49    H    ASN  29           H        ASN  29  10.308  -0.065   2.146
   50    HA   ASN  29           HA       ASN  29  13.028   0.599   2.747
   51   1HB   ASN  29          2HB       ASN  29  11.773  -2.158   2.198
   52   2HB   ASN  29          1HB       ASN  29  13.354  -1.919   2.912
   53   1HD2  ASN  29          1HD2      ASN  29  11.473   0.552   4.233
   54   2HD2  ASN  29          2HD2      ASN  29  10.973  -0.293   5.624
   55    H    LEU  30           H        LEU  30  11.712   0.512  -0.085
   56    HA   LEU  30           HA       LEU  30  14.114  -0.473  -1.534
   57   1HB   LEU  30          2HB       LEU  30  12.332  -1.497  -2.601
   58   2HB   LEU  30          1HB       LEU  30  11.164  -0.292  -2.168
   59    HG   LEU  30           HG       LEU  30  12.156   1.234  -3.784
   60   1HD1  LEU  30          1HD1      LEU  30  13.769   0.288  -5.520
   61   2HD1  LEU  30          2HD1      LEU  30  13.834  -1.214  -4.619
   62   3HD1  LEU  30          3HD1      LEU  30  14.492   0.263  -3.928
   63   1HD2  LEU  30          1HD2      LEU  30  11.319  -1.460  -4.923
   64   2HD2  LEU  30          2HD2      LEU  30  11.339   0.047  -5.832
   65   3HD2  LEU  30          3HD2      LEU  30  10.256  -0.131  -4.455
   66    H    LEU  31           H        LEU  31  11.696   2.142  -1.709
   67    HA   LEU  31           HA       LEU  31  13.260   4.061  -3.070
   68   1HB   LEU  31          2HB       LEU  31  11.136   4.471  -0.899
   69   2HB   LEU  31          1HB       LEU  31  11.771   5.788  -1.869
   70    HG   LEU  31           HG       LEU  31  10.354   3.327  -3.028
   71   1HD1  LEU  31          1HD1      LEU  31   9.361   6.193  -2.643
   72   2HD1  LEU  31          2HD1      LEU  31   8.804   4.796  -1.735
   73   3HD1  LEU  31          3HD1      LEU  31   8.476   4.910  -3.454
   74   1HD2  LEU  31          1HD2      LEU  31  11.186   5.974  -4.350
   75   2HD2  LEU  31          2HD2      LEU  31  10.320   4.666  -5.126
   76   3HD2  LEU  31          3HD2      LEU  31  11.974   4.432  -4.637
   77    H    GLU  32           H        GLU  32  13.089   3.307   0.290
   78    HA   GLU  32           HA       GLU  32  15.334   5.184   0.910
   79   1HB   GLU  32          2HB       GLU  32  13.339   3.704   2.703
   80   2HB   GLU  32          1HB       GLU  32  14.674   4.644   3.324
   81   1HG   GLU  32          2HG       GLU  32  13.821   6.692   2.477
   82   2HG   GLU  32          1HG       GLU  32  12.756   5.901   1.329
   83    H    ARG  33           H        ARG  33  15.783   2.773  -0.584
   84    HA   ARG  33           HA       ARG  33  17.234   1.039   1.377
   85   1HB   ARG  33          2HB       ARG  33  17.078  -0.686  -0.157
   86   2HB   ARG  33          1HB       ARG  33  15.658   0.231  -0.521
   87   1HG   ARG  33          2HG       ARG  33  16.234  -0.066  -2.661
   88   2HG   ARG  33          1HG       ARG  33  17.098   1.414  -2.392
   89   1HD   ARG  33          2HD       ARG  33  18.604  -0.162  -3.457
   90   2HD   ARG  33          1HD       ARG  33  19.178  -0.081  -1.794
   91    HE   ARG  33           HE       ARG  33  17.581  -2.080  -1.406
   92   1HH1  ARG  33          1HH2      ARG  33  19.293  -1.553  -4.370
   93   2HH1  ARG  33          2HH2      ARG  33  19.295  -3.199  -4.842
   94   1HH2  ARG  33          2HH1      ARG  33  17.559  -4.219  -1.938
   95   2HH2  ARG  33          1HH1      ARG  33  18.283  -4.789  -3.385
   96    H    GLN  34           H        GLN  34  17.583   3.419  -0.932
   97    HA   GLN  34           HA       GLN  34  20.011   3.303  -2.172
   98   1HB   GLN  34          2HB       GLN  34  18.987   5.696  -0.564
   99   2HB   GLN  34          1HB       GLN  34  20.214   5.789  -1.809
  100   1HG   GLN  34          2HG       GLN  34  18.622   5.065  -3.541
  101   2HG   GLN  34          1HG       GLN  34  17.364   4.794  -2.341
  102   1HE2  GLN  34          1HE2      GLN  34  15.937   6.510  -2.178
  103   2HE2  GLN  34          2HE2      GLN  34  16.348   8.126  -2.533
  104    H    ARG  35           H        ARG  35  19.544   3.804   1.231
  105    HA   ARG  35           HA       ARG  35  22.453   3.807   1.710
  106   1HB   ARG  35          2HB       ARG  35  20.120   4.487   3.547
  107   2HB   ARG  35          1HB       ARG  35  21.803   4.625   3.983
  108   1HG   ARG  35          2HG       ARG  35  20.508   6.135   1.647
  109   2HG   ARG  35          1HG       ARG  35  20.740   6.832   3.226
  110   1HD   ARG  35          2HD       ARG  35  22.924   5.875   1.327
  111   2HD   ARG  35          1HD       ARG  35  22.592   7.550   1.756
  112    HE   ARG  35           HE       ARG  35  23.047   6.751   4.182
  113   1HH1  ARG  35          1HH2      ARG  35  24.746   5.568   1.396
  114   2HH1  ARG  35          2HH2      ARG  35  26.155   5.145   2.259
  115   1HH2  ARG  35          2HH1      ARG  35  24.847   6.228   5.341
  116   2HH2  ARG  35          1HH1      ARG  35  26.224   5.556   4.582
  117    H    TYR  36           H        TYR  36  21.686   1.472   0.926
  118    HA   TYR  36           HA       TYR  36  21.398  -0.280   3.347
  119   1HB   TYR  36          2HB       TYR  36  20.629  -0.640   0.439
  120   2HB   TYR  36          1HB       TYR  36  21.312  -2.041   1.221
  121    HD1  TYR  36           HD1      TYR  36  19.369  -3.370   1.098
  122    HD2  TYR  36           HD2      TYR  36  19.126   0.406   3.063
  123    HE1  TYR  36           HE1      TYR  36  17.193  -3.995   2.029
  124    HE2  TYR  36           HE2      TYR  36  16.948  -0.237   3.993
  125    HH   TYR  36           HH       TYR  36  15.861  -3.187   4.290
  126   1HT   TYR  36          1HT       TYR  36  23.349   0.019   0.305
  127   2HT   TYR  36          2HT       TYR  36  24.707  -0.742   0.995
  Start of MODEL    3
    1    HN   AYA  24           H        ALA  24   3.143  -1.537   1.085
    2    HA   AYA  24           HA       ALA  24   5.337  -0.130   1.159
    3   1HB   AYA  24          1HB       ALA  24   5.362  -0.123   3.653
    4   2HB   AYA  24          2HB       ALA  24   4.365  -1.566   3.672
    5   3HB   AYA  24          3HB       ALA  24   3.724  -0.065   3.029
    6   1HM   AYA  24          1HA       ALA  24   3.199  -3.393  -1.568
    7   2HM   AYA  24          2HA       ALA  24   2.196  -2.974  -0.177
    8   3HM   AYA  24          3HA       ALA  24   3.063  -4.515  -0.213
    9    H    ARG  25           H        ARG  25   5.366  -3.237   2.570
   10    HA   ARG  25           HA       ARG  25   7.814  -3.777   3.558
   11   1HB   ARG  25          2HB       ARG  25   5.863  -5.468   3.107
   12   2HB   ARG  25          1HB       ARG  25   6.609  -5.762   1.550
   13   1HG   ARG  25          2HG       ARG  25   8.787  -6.350   2.791
   14   2HG   ARG  25          1HG       ARG  25   7.930  -6.121   4.283
   15   1HD   ARG  25          2HD       ARG  25   8.029  -8.526   3.811
   16   2HD   ARG  25          1HD       ARG  25   6.362  -7.946   3.699
   17    HE   ARG  25           HE       ARG  25   7.795  -7.927   1.150
   18   1HH1  ARG  25          1HH2      ARG  25   5.884  -9.840   3.316
   19   2HH1  ARG  25          2HH2      ARG  25   5.293 -10.907   2.115
   20   1HH2  ARG  25          2HH1      ARG  25   7.090  -9.257  -0.449
   21   2HH2  ARG  25          1HH1      ARG  25   6.026 -10.564  -0.134
   22    H    HIS  26           H        HIS  26   7.151  -4.065   0.091
   23    HA   HIS  26           HA       HIS  26  10.096  -3.789  -0.453
   24   1HB   HIS  26          2HB       HIS  26   7.954  -5.152  -2.155
   25   2HB   HIS  26          1HB       HIS  26   9.646  -5.044  -2.568
   26    HD1  HIS  26           HD1      HIS  26   8.740  -7.741  -2.537
   27    HD2  HIS  26           HD2      HIS  26   9.895  -5.909   0.999
   28    HE1  HIS  26           HE1      HIS  26   9.336  -9.515  -0.851
   29    H    TYR  27           H        TYR  27   8.342  -1.619  -0.094
   30    HA   TYR  27           HA       TYR  27   8.580  -0.271  -2.762
   31   1HB   TYR  27          2HB       TYR  27   6.182  -0.949  -2.233
   32   2HB   TYR  27          1HB       TYR  27   6.227   0.062  -0.813
   33    HD1  TYR  27           HD1      TYR  27   7.007   0.369  -4.482
   34    HD2  TYR  27           HD2      TYR  27   5.263   2.192  -1.049
   35    HE1  TYR  27           HE1      TYR  27   6.272   2.271  -5.852
   36    HE2  TYR  27           HE2      TYR  27   4.534   4.080  -2.422
   37    HH   TYR  27           HH       TYR  27   5.109   5.170  -4.514
   38    H    LYS  28           H        LYS  28   7.755   0.349   0.570
   39    HA   LYS  28           HA       LYS  28   8.997   2.963   0.727
   40   1HB   LYS  28          2HB       LYS  28   7.022   1.797   2.122
   41   2HB   LYS  28          1HB       LYS  28   8.312   1.135   3.094
   42   1HG   LYS  28          2HG       LYS  28   7.792   4.094   2.636
   43   2HG   LYS  28          1HG       LYS  28   7.319   3.204   4.058
   44   1HD   LYS  28          2HD       LYS  28   9.309   3.569   4.977
   45   2HD   LYS  28          1HD       LYS  28  10.106   2.664   3.719
   46   1HE   LYS  28          2HE       LYS  28   9.870   4.892   2.316
   47   2HE   LYS  28          1HE       LYS  28   9.571   5.648   3.885
   48    HZ   LYS  28           HZ       LYS  28  11.743   4.516   4.601
   49    H    ASN  29           H        ASN  29   9.755  -0.264   1.873
   50    HA   ASN  29           HA       ASN  29  12.448   0.508   2.683
   51   1HB   ASN  29          2HB       ASN  29  11.366  -2.329   2.313
   52   2HB   ASN  29          1HB       ASN  29  12.793  -1.871   3.223
   53   1HD2  ASN  29          1HD2      ASN  29   9.551  -2.525   3.558
   54   2HD2  ASN  29          2HD2      ASN  29   9.290  -1.795   5.081
   55    H    LEU  30           H        LEU  30  11.335   0.435  -0.178
   56    HA   LEU  30           HA       LEU  30  13.656  -0.898  -1.499
   57   1HB   LEU  30          2HB       LEU  30  11.729  -1.558  -2.789
   58   2HB   LEU  30          1HB       LEU  30  10.806  -0.159  -2.337
   59    HG   LEU  30           HG       LEU  30  12.196   1.251  -3.755
   60   1HD1  LEU  30          1HD1      LEU  30  14.312  -0.096  -3.779
   61   2HD1  LEU  30          2HD1      LEU  30  13.771   0.168  -5.427
   62   3HD1  LEU  30          3HD1      LEU  30  13.496  -1.386  -4.655
   63   1HD2  LEU  30          1HD2      LEU  30  10.955  -1.112  -5.214
   64   2HD2  LEU  30          2HD2      LEU  30  11.367   0.424  -5.968
   65   3HD2  LEU  30          3HD2      LEU  30  10.153   0.362  -4.705
   66    H    LEU  31           H        LEU  31  11.580   2.015  -1.572
   67    HA   LEU  31           HA       LEU  31  13.389   3.845  -2.640
   68   1HB   LEU  31          2HB       LEU  31  11.300   4.204  -0.445
   69   2HB   LEU  31          1HB       LEU  31  12.182   5.572  -1.072
   70    HG   LEU  31           HG       LEU  31  10.488   3.703  -2.817
   71   1HD1  LEU  31          1HD1      LEU  31   9.871   6.510  -1.751
   72   2HD1  LEU  31          2HD1      LEU  31   9.097   5.030  -1.207
   73   3HD1  LEU  31          3HD1      LEU  31   8.851   5.593  -2.846
   74   1HD2  LEU  31          1HD2      LEU  31  12.325   4.939  -4.051
   75   2HD2  LEU  31          2HD2      LEU  31  11.735   6.452  -3.393
   76   3HD2  LEU  31          3HD2      LEU  31  10.744   5.528  -4.506
   77    H    GLU  32           H        GLU  32  13.113   2.805   0.699
   78    HA   GLU  32           HA       GLU  32  15.498   4.416   1.412
   79   1HB   GLU  32          2HB       GLU  32  13.510   2.744   2.977
   80   2HB   GLU  32          1HB       GLU  32  15.022   3.138   3.749
   81   1HG   GLU  32          2HG       GLU  32  13.727   4.990   4.387
   82   2HG   GLU  32          1HG       GLU  32  14.361   5.645   2.883
   83    H    ARG  33           H        ARG  33  15.814   2.150  -0.435
   84    HA   ARG  33           HA       ARG  33  17.549   0.317   1.159
   85   1HB   ARG  33          2HB       ARG  33  17.574  -1.137  -0.758
   86   2HB   ARG  33          1HB       ARG  33  15.951  -0.536  -0.692
   87   1HG   ARG  33          2HG       ARG  33  16.325  -0.318  -2.956
   88   2HG   ARG  33          1HG       ARG  33  16.787   1.278  -2.445
   89   1HD   ARG  33          2HD       ARG  33  18.851   0.982  -3.343
   90   2HD   ARG  33          1HD       ARG  33  19.198  -0.345  -2.285
   91    HE   ARG  33           HE       ARG  33  17.949  -0.478  -5.014
   92   1HH1  ARG  33          1HH2      ARG  33  19.369  -2.106  -2.347
   93   2HH1  ARG  33          2HH2      ARG  33  19.620  -3.587  -3.164
   94   1HH2  ARG  33          2HH1      ARG  33  18.209  -2.407  -6.182
   95   2HH2  ARG  33          1HH1      ARG  33  18.909  -3.766  -5.430
   96    H    GLN  34           H        GLN  34  17.659   2.933  -1.138
   97    HA   GLN  34           HA       GLN  34  20.599   2.659  -1.449
   98   1HB   GLN  34          2HB       GLN  34  19.103   3.340  -3.401
   99   2HB   GLN  34          1HB       GLN  34  18.668   4.790  -2.527
  100   1HG   GLN  34          2HG       GLN  34  20.833   5.744  -2.750
  101   2HG   GLN  34          1HG       GLN  34  21.591   4.203  -3.129
  102   1HE2  GLN  34          1HE2      GLN  34  22.390   4.824  -5.254
  103   2HE2  GLN  34          2HE2      GLN  34  21.321   5.226  -6.512
  104    H    ARG  35           H        ARG  35  19.467   3.036   1.092
  105    HA   ARG  35           HA       ARG  35  20.740   5.537   1.998
  106   1HB   ARG  35          2HB       ARG  35  18.278   5.724   2.223
  107   2HB   ARG  35          1HB       ARG  35  18.205   4.172   3.036
  108   1HG   ARG  35          2HG       ARG  35  19.445   5.080   4.989
  109   2HG   ARG  35          1HG       ARG  35  19.694   6.601   4.155
  110   1HD   ARG  35          2HD       ARG  35  17.437   7.193   4.261
  111   2HD   ARG  35          1HD       ARG  35  16.840   5.593   4.592
  112    HE   ARG  35           HE       ARG  35  17.960   7.533   6.496
  113   1HH1  ARG  35          1HH2      ARG  35  17.241   4.248   5.855
  114   2HH1  ARG  35          2HH2      ARG  35  16.966   3.770   7.470
  115   1HH2  ARG  35          2HH1      ARG  35  17.701   6.999   8.701
  116   2HH2  ARG  35          1HH1      ARG  35  17.278   5.402   9.150
  117    H    TYR  36           H        TYR  36  20.648   2.199   1.989
  118    HA   TYR  36           HA       TYR  36  22.278   1.984   4.484
  119   1HB   TYR  36          2HB       TYR  36  19.986   0.741   4.410
  120   2HB   TYR  36          1HB       TYR  36  20.656  -0.227   3.109
  121    HD1  TYR  36           HD1      TYR  36  21.450   0.837   6.628
  122    HD2  TYR  36           HD2      TYR  36  21.859  -2.185   3.647
  123    HE1  TYR  36           HE1      TYR  36  22.523  -0.648   8.263
  124    HE2  TYR  36           HE2      TYR  36  22.919  -3.652   5.283
  125    HH   TYR  36           HH       TYR  36  24.092  -3.532   7.385
  126   1HT   TYR  36          1HT       TYR  36  23.662   2.877   2.381
  127   2HT   TYR  36          2HT       TYR  36  24.524   1.632   1.601
  Start of MODEL    4
    1    HN   AYA  24           H        ALA  24   1.724  -0.183   0.019
    2    HA   AYA  24           HA       ALA  24   4.241  -1.154  -1.111
    3   1HB   AYA  24          1HB       ALA  24   3.807   1.318  -1.016
    4   2HB   AYA  24          2HB       ALA  24   5.227   0.920  -0.057
    5   3HB   AYA  24          3HB       ALA  24   3.701   1.234   0.738
    6   1HM   AYA  24          1HA       ALA  24  -0.157  -1.225  -0.462
    7   2HM   AYA  24          2HA       ALA  24   0.000  -2.962  -0.184
    8   3HM   AYA  24          3HA       ALA  24   0.003  -2.328  -1.829
    9    H    ARG  25           H        ARG  25   3.854  -3.175   0.170
   10    HA   ARG  25           HA       ARG  25   4.619  -3.010   3.028
   11   1HB   ARG  25          2HB       ARG  25   4.188  -5.457   3.052
   12   2HB   ARG  25          1HB       ARG  25   2.843  -4.618   2.320
   13   1HG   ARG  25          2HG       ARG  25   3.742  -5.249   0.018
   14   2HG   ARG  25          1HG       ARG  25   5.035  -6.143   0.809
   15   1HD   ARG  25          2HD       ARG  25   3.424  -7.824   0.309
   16   2HD   ARG  25          1HD       ARG  25   3.277  -7.501   2.002
   17    HE   ARG  25           HE       ARG  25   1.253  -6.317   1.689
   18   1HH1  ARG  25          1HH2      ARG  25   2.555  -7.559  -1.256
   19   2HH1  ARG  25          2HH2      ARG  25   1.088  -7.504  -2.129
   20   1HH2  ARG  25          2HH1      ARG  25  -0.715  -6.177   0.594
   21   2HH2  ARG  25          1HH1      ARG  25  -0.825  -6.667  -1.040
   22    H    HIS  26           H        HIS  26   5.896  -4.518   0.087
   23    HA   HIS  26           HA       HIS  26   8.602  -4.638   1.384
   24   1HB   HIS  26          2HB       HIS  26   7.448  -6.799   0.511
   25   2HB   HIS  26          1HB       HIS  26   7.611  -6.123  -1.107
   26    HD1  HIS  26           HD1      HIS  26   9.005  -8.569  -0.994
   27    HD2  HIS  26           HD2      HIS  26  10.776  -5.132   0.537
   28    HE1  HIS  26           HE1      HIS  26  11.483  -8.897  -0.889
   29    H    TYR  27           H        TYR  27   7.500  -2.357   0.572
   30    HA   TYR  27           HA       TYR  27   9.090  -1.591  -1.844
   31   1HB   TYR  27          2HB       TYR  27   6.262  -1.090  -1.157
   32   2HB   TYR  27          1HB       TYR  27   7.093   0.398  -1.594
   33    HD1  TYR  27           HD1      TYR  27   8.632   0.268  -3.651
   34    HD2  TYR  27           HD2      TYR  27   5.507  -2.528  -2.944
   35    HE1  TYR  27           HE1      TYR  27   8.645  -0.342  -6.027
   36    HE2  TYR  27           HE2      TYR  27   5.521  -3.133  -5.319
   37    HH   TYR  27           HH       TYR  27   7.012  -3.048  -7.245
   38    H    LYS  28           H        LYS  28   7.828  -0.384   1.209
   39    HA   LYS  28           HA       LYS  28   9.001   2.058   1.483
   40   1HB   LYS  28          2HB       LYS  28   7.718   0.791   3.306
   41   2HB   LYS  28          1HB       LYS  28   9.143  -0.184   3.600
   42   1HG   LYS  28          2HG       LYS  28   9.240   1.491   5.259
   43   2HG   LYS  28          1HG       LYS  28  10.384   2.035   4.061
   44   1HD   LYS  28          2HD       LYS  28   8.211   3.303   3.067
   45   2HD   LYS  28          1HD       LYS  28   7.629   3.078   4.704
   46   1HE   LYS  28          2HE       LYS  28   8.797   5.218   4.548
   47   2HE   LYS  28          1HE       LYS  28   9.761   4.140   5.554
   48    HZ   LYS  28           HZ       LYS  28  10.243   4.507   2.627
   49    H    ASN  29           H        ASN  29  10.688  -0.952   1.987
   50    HA   ASN  29           HA       ASN  29  13.236   0.397   2.359
   51   1HB   ASN  29          2HB       ASN  29  12.485  -2.557   2.246
   52   2HB   ASN  29          1HB       ASN  29  14.114  -1.979   2.553
   53   1HD2  ASN  29          1HD2      ASN  29  11.546  -3.062   4.319
   54   2HD2  ASN  29          2HD2      ASN  29  11.754  -2.077   5.687
   55    H    LEU  30           H        LEU  30  11.857   0.535  -0.336
   56    HA   LEU  30           HA       LEU  30  14.115  -0.506  -1.981
   57   1HB   LEU  30          2HB       LEU  30  12.147  -1.152  -3.198
   58   2HB   LEU  30          1HB       LEU  30  11.177   0.149  -2.571
   59    HG   LEU  30           HG       LEU  30  12.307   1.774  -3.894
   60   1HD1  LEU  30          1HD1      LEU  30  13.953   1.069  -5.698
   61   2HD1  LEU  30          2HD1      LEU  30  13.906  -0.575  -5.070
   62   3HD1  LEU  30          3HD1      LEU  30  14.604   0.720  -4.116
   63   1HD2  LEU  30          1HD2      LEU  30  10.403   0.698  -4.870
   64   2HD2  LEU  30          2HD2      LEU  30  11.429  -0.577  -5.541
   65   3HD2  LEU  30          3HD2      LEU  30  11.581   1.077  -6.124
   66    H    LEU  31           H        LEU  31  11.852   2.193  -1.782
   67    HA   LEU  31           HA       LEU  31  13.660   4.180  -2.764
   68   1HB   LEU  31          2HB       LEU  31  12.067   5.784  -1.431
   69   2HB   LEU  31          1HB       LEU  31  11.406   4.889  -2.775
   70    HG   LEU  31           HG       LEU  31  11.274   3.390  -0.186
   71   1HD1  LEU  31          1HD1      LEU  31   9.504   5.866  -0.675
   72   2HD1  LEU  31          2HD1      LEU  31  10.734   5.808   0.567
   73   3HD1  LEU  31          3HD1      LEU  31   9.338   4.755   0.671
   74   1HD2  LEU  31          1HD2      LEU  31   9.024   2.879  -0.989
   75   2HD2  LEU  31          2HD2      LEU  31  10.165   2.609  -2.283
   76   3HD2  LEU  31          3HD2      LEU  31   9.181   4.052  -2.280
   77    H    GLU  32           H        GLU  32  13.269   2.785   0.361
   78    HA   GLU  32           HA       GLU  32  15.185   4.768   1.534
   79   1HB   GLU  32          2HB       GLU  32  13.582   2.563   2.932
   80   2HB   GLU  32          1HB       GLU  32  14.465   3.851   3.721
   81   1HG   GLU  32          2HG       GLU  32  12.966   5.543   2.642
   82   2HG   GLU  32          1HG       GLU  32  12.095   4.256   1.836
   83    H    ARG  33           H        ARG  33  15.886   2.687  -0.409
   84    HA   ARG  33           HA       ARG  33  17.616   0.925   1.271
   85   1HB   ARG  33          2HB       ARG  33  17.623  -0.580  -0.542
   86   2HB   ARG  33          1HB       ARG  33  16.054   0.126  -0.645
   87   1HG   ARG  33          2HG       ARG  33  16.513   0.231  -2.840
   88   2HG   ARG  33          1HG       ARG  33  17.104   1.801  -2.425
   89   1HD   ARG  33          2HD       ARG  33  18.790   0.639  -3.781
   90   2HD   ARG  33          1HD       ARG  33  19.471   0.737  -2.172
   91    HE   ARG  33           HE       ARG  33  18.074  -1.633  -3.361
   92   1HH1  ARG  33          1HH2      ARG  33  20.273  -0.359  -0.947
   93   2HH1  ARG  33          2HH2      ARG  33  20.781  -1.902  -0.426
   94   1HH2  ARG  33          2HH1      ARG  33  18.683  -3.627  -2.668
   95   2HH2  ARG  33          1HH1      ARG  33  19.842  -3.801  -1.419
   96    H    GLN  34           H        GLN  34  17.692   3.322  -1.189
   97    HA   GLN  34           HA       GLN  34  20.126   3.567  -2.251
   98   1HB   GLN  34          2HB       GLN  34  18.754   5.917  -0.882
   99   2HB   GLN  34          1HB       GLN  34  19.949   6.010  -2.157
  100   1HG   GLN  34          2HG       GLN  34  18.317   4.650  -3.634
  101   2HG   GLN  34          1HG       GLN  34  17.121   4.849  -2.365
  102   1HE2  GLN  34          1HE2      GLN  34  19.485   7.371  -3.518
  103   2HE2  GLN  34          2HE2      GLN  34  18.233   8.406  -3.995
  104    H    ARG  35           H        ARG  35  19.649   4.753   1.058
  105    HA   ARG  35           HA       ARG  35  22.601   4.858   1.327
  106   1HB   ARG  35          2HB       ARG  35  22.289   6.637   2.946
  107   2HB   ARG  35          1HB       ARG  35  21.370   7.051   1.513
  108   1HG   ARG  35          2HG       ARG  35  19.321   5.950   2.744
  109   2HG   ARG  35          1HG       ARG  35  20.339   5.927   4.163
  110   1HD   ARG  35          2HD       ARG  35  19.170   7.987   4.426
  111   2HD   ARG  35          1HD       ARG  35  20.699   8.446   3.751
  112    HE   ARG  35           HE       ARG  35  19.738   8.814   1.614
  113   1HH1  ARG  35          1HH2      ARG  35  17.469   7.733   3.958
  114   2HH1  ARG  35          2HH2      ARG  35  16.068   8.245   3.118
  115   1HH2  ARG  35          2HH1      ARG  35  17.952   9.511   0.408
  116   2HH2  ARG  35          1HH1      ARG  35  16.368   9.275   0.999
  117    H    TYR  36           H        TYR  36  21.042   2.515   1.673
  118    HA   TYR  36           HA       TYR  36  21.501   1.944   4.584
  119   1HB   TYR  36          2HB       TYR  36  19.015   1.840   3.695
  120   2HB   TYR  36          1HB       TYR  36  19.537   0.435   2.775
  121    HD1  TYR  36           HD1      TYR  36  19.530   1.834   6.231
  122    HD2  TYR  36           HD2      TYR  36  19.653  -1.707   3.875
  123    HE1  TYR  36           HE1      TYR  36  19.354   0.469   8.266
  124    HE2  TYR  36           HE2      TYR  36  19.465  -3.062   5.915
  125    HH   TYR  36           HH       TYR  36  20.171  -2.525   8.542
  126   1HT   TYR  36          1HT       TYR  36  23.760   1.572   3.704
  127   2HT   TYR  36          2HT       TYR  36  24.090   0.063   2.992
  Start of MODEL    5
    1    HN   AYA  24           H        ALA  24   1.383  -2.284   1.113
    2    HA   AYA  24           HA       ALA  24   2.983  -2.990  -1.284
    3   1HB   AYA  24          1HB       ALA  24   2.067  -0.685  -0.974
    4   2HB   AYA  24          2HB       ALA  24   3.815  -0.660  -1.025
    5   3HB   AYA  24          3HB       ALA  24   2.997  -0.520   0.513
    6   1HM   AYA  24          1HA       ALA  24  -0.910  -4.516   0.343
    7   2HM   AYA  24          2HA       ALA  24  -0.328  -3.542   1.691
    8   3HM   AYA  24          3HA       ALA  24   0.070  -5.263   1.602
    9    H    ARG  25           H        ARG  25   3.234  -4.682   0.670
   10    HA   ARG  25           HA       ARG  25   4.808  -4.930   2.729
   11   1HB   ARG  25          2HB       ARG  25   3.944  -6.834   1.377
   12   2HB   ARG  25          1HB       ARG  25   5.256  -6.628   0.233
   13   1HG   ARG  25          2HG       ARG  25   6.928  -7.167   1.985
   14   2HG   ARG  25          1HG       ARG  25   5.673  -7.206   3.209
   15   1HD   ARG  25          2HD       ARG  25   4.634  -9.160   2.165
   16   2HD   ARG  25          1HD       ARG  25   5.724  -9.076   0.801
   17    HE   ARG  25           HE       ARG  25   6.555  -9.605   3.649
   18   1HH1  ARG  25          1HH2      ARG  25   7.004 -10.146   0.257
   19   2HH1  ARG  25          2HH2      ARG  25   8.280 -11.257   0.453
   20   1HH2  ARG  25          2HH1      ARG  25   8.225 -11.045   3.966
   21   2HH2  ARG  25          1HH1      ARG  25   8.992 -11.792   2.636
   22    H    HIS  26           H        HIS  26   6.450  -4.521  -0.386
   23    HA   HIS  26           HA       HIS  26   8.892  -3.717   1.164
   24   1HB   HIS  26          2HB       HIS  26   8.989  -6.044   0.037
   25   2HB   HIS  26          1HB       HIS  26   8.943  -5.199  -1.505
   26    HD1  HIS  26           HD1      HIS  26  10.853  -3.194  -1.576
   27    HD2  HIS  26           HD2      HIS  26  11.465  -6.442   0.935
   28    HE1  HIS  26           HE1      HIS  26  13.307  -3.347  -1.005
   29    H    TYR  27           H        TYR  27   7.296  -1.747   0.611
   30    HA   TYR  27           HA       TYR  27   8.165  -0.532  -1.991
   31   1HB   TYR  27          2HB       TYR  27   5.777  -0.618  -1.488
   32   2HB   TYR  27          1HB       TYR  27   5.970   0.282  -0.002
   33    HD1  TYR  27           HD1      TYR  27   6.884   2.734  -0.222
   34    HD2  TYR  27           HD2      TYR  27   5.483   0.476  -3.557
   35    HE1  TYR  27           HE1      TYR  27   6.614   4.791  -1.510
   36    HE2  TYR  27           HE2      TYR  27   5.219   2.548  -4.836
   37    HH   TYR  27           HH       TYR  27   6.516   5.508  -3.865
   38    H    LYS  28           H        LYS  28   7.621   0.746   1.253
   39    HA   LYS  28           HA       LYS  28   9.288   3.000   1.136
   40   1HB   LYS  28          2HB       LYS  28   7.811   2.386   3.127
   41   2HB   LYS  28          1HB       LYS  28   8.964   1.148   3.582
   42   1HG   LYS  28          2HG       LYS  28  10.401   3.655   3.221
   43   2HG   LYS  28          1HG       LYS  28   9.011   3.962   4.230
   44   1HD   LYS  28          2HD       LYS  28   9.688   2.273   5.842
   45   2HD   LYS  28          1HD       LYS  28  10.957   1.688   4.782
   46   1HE   LYS  28          2HE       LYS  28  10.854   4.523   5.928
   47   2HE   LYS  28          1HE       LYS  28  11.873   3.219   6.537
   48    HZ   LYS  28           HZ       LYS  28  12.978   3.141   4.345
   49    H    ASN  29           H        ASN  29  10.044  -0.148   2.269
   50    HA   ASN  29           HA       ASN  29  12.731  -0.047   2.761
   51   1HB   ASN  29          2HB       ASN  29  11.372  -2.478   1.467
   52   2HB   ASN  29          1HB       ASN  29  12.719  -2.520   2.586
   53   1HD2  ASN  29          1HD2      ASN  29  12.054  -3.062   4.736
   54   2HD2  ASN  29          2HD2      ASN  29  10.509  -2.692   5.336
   55    H    LEU  30           H        LEU  30  11.565   0.374  -0.151
   56    HA   LEU  30           HA       LEU  30  14.064  -0.496  -1.534
   57   1HB   LEU  30          2HB       LEU  30  12.291  -1.320  -2.851
   58   2HB   LEU  30          1HB       LEU  30  11.171  -0.109  -2.310
   59    HG   LEU  30           HG       LEU  30  12.176   1.550  -3.695
   60   1HD1  LEU  30          1HD1      LEU  30  13.976  -0.728  -4.746
   61   2HD1  LEU  30          2HD1      LEU  30  14.567   0.665  -3.854
   62   3HD1  LEU  30          3HD1      LEU  30  13.896   0.874  -5.458
   63   1HD2  LEU  30          1HD2      LEU  30  11.475  -1.024  -5.172
   64   2HD2  LEU  30          2HD2      LEU  30  11.434   0.576  -5.896
   65   3HD2  LEU  30          3HD2      LEU  30  10.338   0.177  -4.585
   66    H    LEU  31           H        LEU  31  11.797   2.271  -1.595
   67    HA   LEU  31           HA       LEU  31  13.554   4.182  -2.667
   68   1HB   LEU  31          2HB       LEU  31  11.482   4.605  -0.455
   69   2HB   LEU  31          1HB       LEU  31  12.212   5.910  -1.371
   70    HG   LEU  31           HG       LEU  31  10.511   3.658  -2.567
   71   1HD1  LEU  31          1HD1      LEU  31   8.861   5.460  -2.938
   72   2HD1  LEU  31          2HD1      LEU  31   9.918   6.628  -2.159
   73   3HD1  LEU  31          3HD1      LEU  31   9.216   5.313  -1.229
   74   1HD2  LEU  31          1HD2      LEU  31  10.633   5.004  -4.659
   75   2HD2  LEU  31          2HD2      LEU  31  12.243   4.525  -4.198
   76   3HD2  LEU  31          3HD2      LEU  31  11.692   6.164  -3.886
   77    H    GLU  32           H        GLU  32  13.443   2.951   0.547
   78    HA   GLU  32           HA       GLU  32  15.666   4.793   1.353
   79   1HB   GLU  32          2HB       GLU  32  13.764   2.994   2.836
   80   2HB   GLU  32          1HB       GLU  32  15.102   3.753   3.674
   81   1HG   GLU  32          2HG       GLU  32  14.263   5.976   3.223
   82   2HG   GLU  32          1HG       GLU  32  13.125   5.397   2.018
   83    H    ARG  33           H        ARG  33  16.230   2.598  -0.461
   84    HA   ARG  33           HA       ARG  33  17.872   0.857   1.339
   85   1HB   ARG  33          2HB       ARG  33  17.931  -0.735  -0.482
   86   2HB   ARG  33          1HB       ARG  33  16.303  -0.173  -0.325
   87   1HG   ARG  33          2HG       ARG  33  16.417  -0.113  -2.574
   88   2HG   ARG  33          1HG       ARG  33  16.980   1.507  -2.279
   89   1HD   ARG  33          2HD       ARG  33  19.349   0.664  -2.377
   90   2HD   ARG  33          1HD       ARG  33  18.777  -0.946  -2.690
   91    HE   ARG  33           HE       ARG  33  18.463   1.465  -4.419
   92   1HH1  ARG  33          1HH2      ARG  33  18.257  -1.954  -4.070
   93   2HH1  ARG  33          2HH2      ARG  33  18.238  -2.315  -5.744
   94   1HH2  ARG  33          2HH1      ARG  33  18.325   1.105  -6.629
   95   2HH2  ARG  33          1HH1      ARG  33  18.211  -0.478  -7.262
   96    H    GLN  34           H        GLN  34  18.274   2.856  -1.641
   97    HA   GLN  34           HA       GLN  34  20.825   2.877  -2.298
   98   1HB   GLN  34          2HB       GLN  34  19.002   5.223  -1.780
   99   2HB   GLN  34          1HB       GLN  34  20.687   5.601  -2.045
  100   1HG   GLN  34          2HG       GLN  34  19.752   5.712  -4.221
  101   2HG   GLN  34          1HG       GLN  34  20.503   4.134  -4.203
  102   1HE2  GLN  34          1HE2      GLN  34  17.886   5.452  -5.473
  103   2HE2  GLN  34          2HE2      GLN  34  16.757   4.205  -5.261
  104    H    ARG  35           H        ARG  35  19.956   4.618   0.625
  105    HA   ARG  35           HA       ARG  35  22.758   4.398   1.562
  106   1HB   ARG  35          2HB       ARG  35  20.826   6.735   1.721
  107   2HB   ARG  35          1HB       ARG  35  22.054   6.569   2.951
  108   1HG   ARG  35          2HG       ARG  35  23.811   6.457   1.107
  109   2HG   ARG  35          1HG       ARG  35  22.555   6.913  -0.030
  110   1HD   ARG  35          2HD       ARG  35  22.163   9.025   1.083
  111   2HD   ARG  35          1HD       ARG  35  23.057   8.547   2.501
  112    HE   ARG  35           HE       ARG  35  25.127   8.532   1.134
  113   1HH1  ARG  35          1HH2      ARG  35  22.445  10.407   0.015
  114   2HH1  ARG  35          2HH2      ARG  35  23.397  11.536  -0.843
  115   1HH2  ARG  35          2HH1      ARG  35  26.414   9.920  -0.009
  116   2HH2  ARG  35          1HH1      ARG  35  25.740  11.223  -0.883
  117    H    TYR  36           H        TYR  36  21.003   2.371   2.192
  118    HA   TYR  36           HA       TYR  36  19.858   2.862   4.872
  119   1HB   TYR  36          2HB       TYR  36  18.994   1.114   3.127
  120   2HB   TYR  36          1HB       TYR  36  20.375   0.130   3.573
  121    HD1  TYR  36           HD1      TYR  36  20.598  -0.482   6.179
  122    HD2  TYR  36           HD2      TYR  36  17.023   1.007   4.394
  123    HE1  TYR  36           HE1      TYR  36  19.305  -1.313   8.061
  124    HE2  TYR  36           HE2      TYR  36  15.738   0.159   6.287
  125    HH   TYR  36           HH       TYR  36  15.954  -0.588   8.510
  126   1HT   TYR  36          1HT       TYR  36  22.152   3.780   5.386
  127   2HT   TYR  36          2HT       TYR  36  23.278   2.669   6.040
  Start of MODEL    6
    1    HN   AYA  24           H        ALA  24   1.314  -3.606  -0.474
    2    HA   AYA  24           HA       ALA  24   3.838  -2.218  -0.974
    3   1HB   AYA  24          1HB       ALA  24   1.719  -1.765   1.173
    4   2HB   AYA  24          2HB       ALA  24   1.756  -0.964  -0.397
    5   3HB   AYA  24          3HB       ALA  24   3.023  -0.657   0.783
    6   1HM   AYA  24          1HA       ALA  24   0.707  -5.289  -1.712
    7   2HM   AYA  24          2HA       ALA  24   2.003  -6.474  -1.876
    8   3HM   AYA  24          3HA       ALA  24   1.629  -5.387  -3.214
    9    H    ARG  25           H        ARG  25   4.948  -4.303  -0.459
   10    HA   ARG  25           HA       ARG  25   5.418  -4.663   2.483
   11   1HB   ARG  25          2HB       ARG  25   4.911  -6.705   1.065
   12   2HB   ARG  25          1HB       ARG  25   6.369  -6.401   0.135
   13   1HG   ARG  25          2HG       ARG  25   7.642  -6.478   2.414
   14   2HG   ARG  25          1HG       ARG  25   6.160  -7.093   3.094
   15   1HD   ARG  25          2HD       ARG  25   7.649  -8.345   0.752
   16   2HD   ARG  25          1HD       ARG  25   7.785  -8.942   2.373
   17    HE   ARG  25           HE       ARG  25   5.448  -9.156   0.567
   18   1HH1  ARG  25          1HH2      ARG  25   6.672  -9.409   3.743
   19   2HH1  ARG  25          2HH2      ARG  25   5.506 -10.523   4.325
   20   1HH2  ARG  25          2HH1      ARG  25   3.809 -10.584   1.218
   21   2HH2  ARG  25          1HH1      ARG  25   3.782 -11.188   2.817
   22    H    HIS  26           H        HIS  26   7.396  -4.670  -0.483
   23    HA   HIS  26           HA       HIS  26   9.548  -3.263   1.069
   24   1HB   HIS  26          2HB       HIS  26   9.727  -5.019  -1.446
   25   2HB   HIS  26          1HB       HIS  26  11.081  -4.160  -0.742
   26    HD1  HIS  26           HD1      HIS  26  11.506  -7.045  -0.844
   27    HD2  HIS  26           HD2      HIS  26   9.471  -5.284   2.330
   28    HE1  HIS  26           HE1      HIS  26  11.579  -8.577   1.134
   29    H    TYR  27           H        TYR  27   8.014  -1.486   0.638
   30    HA   TYR  27           HA       TYR  27   8.457  -0.212  -2.058
   31   1HB   TYR  27          2HB       TYR  27   6.047  -0.728  -1.034
   32   2HB   TYR  27          1HB       TYR  27   6.315   0.679  -0.045
   33    HD1  TYR  27           HD1      TYR  27   7.094   2.879  -1.406
   34    HD2  TYR  27           HD2      TYR  27   5.071  -0.453  -3.132
   35    HE1  TYR  27           HE1      TYR  27   6.333   4.278  -3.269
   36    HE2  TYR  27           HE2      TYR  27   4.325   0.956  -4.976
   37    HH   TYR  27           HH       TYR  27   5.161   3.182  -6.126
   38    H    LYS  28           H        LYS  28   7.705   1.029   1.157
   39    HA   LYS  28           HA       LYS  28   9.315   3.344   1.073
   40   1HB   LYS  28          2HB       LYS  28   7.623   2.903   2.893
   41   2HB   LYS  28          1HB       LYS  28   8.616   1.603   3.509
   42   1HG   LYS  28          2HG       LYS  28   9.094   3.447   4.922
   43   2HG   LYS  28          1HG       LYS  28  10.477   3.384   3.859
   44   1HD   LYS  28          2HD       LYS  28   9.171   5.117   2.393
   45   2HD   LYS  28          1HD       LYS  28   8.120   5.282   3.785
   46   1HE   LYS  28          2HE       LYS  28   9.799   6.947   4.090
   47   2HE   LYS  28          1HE       LYS  28  10.291   5.643   5.162
   48    HZ   LYS  28           HZ       LYS  28  11.387   5.980   2.404
   49    H    ASN  29           H        ASN  29   9.913   0.210   2.270
   50    HA   ASN  29           HA       ASN  29  12.618   0.520   3.050
   51   1HB   ASN  29          2HB       ASN  29  10.749  -1.445   3.518
   52   2HB   ASN  29          1HB       ASN  29  11.605  -2.206   2.197
   53   1HD2  ASN  29          1HD2      ASN  29  14.342  -1.128   3.030
   54   2HD2  ASN  29          2HD2      ASN  29  14.667  -1.972   4.471
   55    H    LEU  30           H        LEU  30  11.467   0.523   0.138
   56    HA   LEU  30           HA       LEU  30  13.909  -0.570  -1.184
   57   1HB   LEU  30          2HB       LEU  30  12.131  -1.502  -2.402
   58   2HB   LEU  30          1HB       LEU  30  10.995  -0.289  -1.929
   59    HG   LEU  30           HG       LEU  30  12.032   1.295  -3.499
   60   1HD1  LEU  30          1HD1      LEU  30  13.583  -1.178  -4.437
   61   2HD1  LEU  30          2HD1      LEU  30  14.323   0.238  -3.701
   62   3HD1  LEU  30          3HD1      LEU  30  13.566   0.365  -5.277
   63   1HD2  LEU  30          1HD2      LEU  30  10.060  -0.012  -4.125
   64   2HD2  LEU  30          2HD2      LEU  30  11.072  -1.340  -4.675
   65   3HD2  LEU  30          3HD2      LEU  30  11.084   0.191  -5.540
   66    H    LEU  31           H        LEU  31  11.649   2.197  -1.289
   67    HA   LEU  31           HA       LEU  31  13.270   4.052  -2.649
   68   1HB   LEU  31          2HB       LEU  31  11.289   4.453  -0.364
   69   2HB   LEU  31          1HB       LEU  31  12.147   5.817  -1.052
   70    HG   LEU  31           HG       LEU  31  11.359   5.019  -3.314
   71   1HD1  LEU  31          1HD1      LEU  31   9.233   3.735  -3.395
   72   2HD1  LEU  31          2HD1      LEU  31   9.356   3.435  -1.672
   73   3HD1  LEU  31          3HD1      LEU  31  10.538   2.754  -2.779
   74   1HD2  LEU  31          1HD2      LEU  31  10.417   7.023  -2.226
   75   2HD2  LEU  31          2HD2      LEU  31   9.282   6.045  -1.315
   76   3HD2  LEU  31          3HD2      LEU  31   9.132   6.173  -3.061
   77    H    GLU  32           H        GLU  32  13.278   3.122   0.615
   78    HA   GLU  32           HA       GLU  32  15.639   4.822   1.272
   79   1HB   GLU  32          2HB       GLU  32  13.679   3.219   2.961
   80   2HB   GLU  32          1HB       GLU  32  15.102   3.961   3.667
   81   1HG   GLU  32          2HG       GLU  32  14.385   6.160   3.130
   82   2HG   GLU  32          1HG       GLU  32  13.266   5.612   1.905
   83    H    ARG  33           H        ARG  33  15.921   2.286  -0.351
   84    HA   ARG  33           HA       ARG  33  17.660   0.739   1.516
   85   1HB   ARG  33          2HB       ARG  33  17.781  -0.984  -0.207
   86   2HB   ARG  33          1HB       ARG  33  16.125  -0.551   0.076
   87   1HG   ARG  33          2HG       ARG  33  15.762  -0.071  -2.071
   88   2HG   ARG  33          1HG       ARG  33  17.101   1.032  -2.200
   89   1HD   ARG  33          2HD       ARG  33  18.587  -0.995  -2.514
   90   2HD   ARG  33          1HD       ARG  33  17.204  -2.048  -2.393
   91    HE   ARG  33           HE       ARG  33  17.755  -0.033  -4.539
   92   1HH1  ARG  33          1HH2      ARG  33  15.903  -2.735  -3.424
   93   2HH1  ARG  33          2HH2      ARG  33  15.233  -3.103  -4.960
   94   1HH2  ARG  33          2HH1      ARG  33  16.856  -0.433  -6.549
   95   2HH2  ARG  33          1HH1      ARG  33  15.762  -1.731  -6.782
   96    H    GLN  34           H        GLN  34  17.810   2.675  -1.392
   97    HA   GLN  34           HA       GLN  34  20.364   2.375  -2.339
   98   1HB   GLN  34          2HB       GLN  34  18.706   3.957  -3.307
   99   2HB   GLN  34          1HB       GLN  34  18.911   5.048  -1.949
  100   1HG   GLN  34          2HG       GLN  34  20.234   5.757  -3.969
  101   2HG   GLN  34          1HG       GLN  34  21.305   5.427  -2.619
  102   1HE2  GLN  34          1HE2      GLN  34  22.800   3.672  -2.866
  103   2HE2  GLN  34          2HE2      GLN  34  22.906   2.771  -4.308
  104    H    ARG  35           H        ARG  35  19.653   4.042   0.628
  105    HA   ARG  35           HA       ARG  35  22.547   4.494   1.077
  106   1HB   ARG  35          2HB       ARG  35  21.051   6.561   0.858
  107   2HB   ARG  35          1HB       ARG  35  20.156   6.008   2.258
  108   1HG   ARG  35          2HG       ARG  35  22.198   6.250   3.685
  109   2HG   ARG  35          1HG       ARG  35  23.114   6.744   2.274
  110   1HD   ARG  35          2HD       ARG  35  21.670   8.753   1.996
  111   2HD   ARG  35          1HD       ARG  35  20.657   8.201   3.327
  112    HE   ARG  35           HE       ARG  35  23.576   8.762   3.709
  113   1HH1  ARG  35          1HH2      ARG  35  20.285   9.437   4.630
  114   2HH1  ARG  35          2HH2      ARG  35  20.722  10.390   5.983
  115   1HH2  ARG  35          2HH1      ARG  35  24.171   9.976   5.460
  116   2HH2  ARG  35          1HH1      ARG  35  22.989  10.705   6.455
  117    H    TYR  36           H        TYR  36  21.265   2.034   1.493
  118    HA   TYR  36           HA       TYR  36  21.305   1.824   4.492
  119   1HB   TYR  36          2HB       TYR  36  19.117   1.324   2.908
  120   2HB   TYR  36          1HB       TYR  36  19.869  -0.260   2.858
  121    HD1  TYR  36           HD1      TYR  36  18.483   2.351   5.058
  122    HD2  TYR  36           HD2      TYR  36  19.882  -1.661   4.872
  123    HE1  TYR  36           HE1      TYR  36  17.592   1.936   7.303
  124    HE2  TYR  36           HE2      TYR  36  18.988  -2.071   7.119
  125    HH   TYR  36           HH       TYR  36  18.415  -0.705   9.164
  126   1HT   TYR  36          1HT       TYR  36  23.743   1.685   3.270
  127   2HT   TYR  36          2HT       TYR  36  24.270   0.069   3.190
  Start of MODEL    7
    1    HN   AYA  24           H        ALA  24   0.973  -3.444   1.244
    2    HA   AYA  24           HA       ALA  24   3.267  -2.206  -0.114
    3   1HB   AYA  24          1HB       ALA  24   1.528  -0.806   1.029
    4   2HB   AYA  24          2HB       ALA  24   3.123  -0.537   1.717
    5   3HB   AYA  24          3HB       ALA  24   1.968  -1.540   2.569
    6   1HM   AYA  24          1HA       ALA  24   0.313  -5.347  -1.385
    7   2HM   AYA  24          2HA       ALA  24  -0.090  -5.117   0.320
    8   3HM   AYA  24          3HA       ALA  24   1.045  -6.382  -0.157
    9    H    ARG  25           H        ARG  25   4.461  -4.147   0.037
   10    HA   ARG  25           HA       ARG  25   5.788  -4.623   2.681
   11   1HB   ARG  25          2HB       ARG  25   6.434  -6.843   1.709
   12   2HB   ARG  25          1HB       ARG  25   4.710  -6.605   1.871
   13   1HG   ARG  25          2HG       ARG  25   4.634  -5.947  -0.608
   14   2HG   ARG  25          1HG       ARG  25   6.337  -6.360  -0.713
   15   1HD   ARG  25          2HD       ARG  25   5.788  -8.709  -0.003
   16   2HD   ARG  25          1HD       ARG  25   4.112  -8.250   0.098
   17    HE   ARG  25           HE       ARG  25   4.011  -7.851  -2.264
   18   1HH1  ARG  25          1HH2      ARG  25   6.952  -9.318  -1.204
   19   2HH1  ARG  25          2HH2      ARG  25   7.363  -9.967  -2.730
   20   1HH2  ARG  25          2HH1      ARG  25   4.501  -8.639  -4.289
   21   2HH2  ARG  25          1HH1      ARG  25   5.921  -9.560  -4.554
   22    H    HIS  26           H        HIS  26   6.672  -4.281  -0.771
   23    HA   HIS  26           HA       HIS  26   9.424  -3.592   0.207
   24   1HB   HIS  26          2HB       HIS  26   9.244  -5.847  -0.968
   25   2HB   HIS  26          1HB       HIS  26   8.808  -4.977  -2.434
   26    HD1  HIS  26           HD1      HIS  26  11.119  -6.198  -3.217
   27    HD2  HIS  26           HD2      HIS  26  11.480  -3.014  -0.568
   28    HE1  HIS  26           HE1      HIS  26  13.456  -5.364  -3.263
   29    H    TYR  27           H        TYR  27   8.097  -1.396   0.095
   30    HA   TYR  27           HA       TYR  27   8.783  -0.171  -2.574
   31   1HB   TYR  27          2HB       TYR  27   6.201  -0.425  -1.969
   32   2HB   TYR  27          1HB       TYR  27   6.479   0.894  -0.852
   33    HD1  TYR  27           HD1      TYR  27   7.025  -0.098  -4.417
   34    HD2  TYR  27           HD2      TYR  27   6.459   3.150  -1.703
   35    HE1  TYR  27           HE1      TYR  27   6.902   1.461  -6.298
   36    HE2  TYR  27           HE2      TYR  27   6.336   4.699  -3.606
   37    HH   TYR  27           HH       TYR  27   5.823   3.778  -6.716
   38    H    LYS  28           H        LYS  28   7.802   0.855   0.641
   39    HA   LYS  28           HA       LYS  28   9.368   3.201   0.838
   40   1HB   LYS  28          2HB       LYS  28   7.543   2.404   2.512
   41   2HB   LYS  28          1HB       LYS  28   8.717   1.279   3.162
   42   1HG   LYS  28          2HG       LYS  28   8.896   3.135   4.592
   43   2HG   LYS  28          1HG       LYS  28  10.250   3.340   3.505
   44   1HD   LYS  28          2HD       LYS  28   8.519   4.789   2.076
   45   2HD   LYS  28          1HD       LYS  28   7.617   4.815   3.571
   46   1HE   LYS  28          2HE       LYS  28   9.118   6.751   3.486
   47   2HE   LYS  28          1HE       LYS  28   9.685   5.659   4.746
   48    HZ   LYS  28           HZ       LYS  28  10.802   5.678   1.973
   49    H    ASN  29           H        ASN  29   9.911   0.082   2.121
   50    HA   ASN  29           HA       ASN  29  12.546   0.229   2.962
   51   1HB   ASN  29          2HB       ASN  29  11.285  -2.311   1.774
   52   2HB   ASN  29          1HB       ASN  29  12.447  -2.260   3.090
   53   1HD2  ASN  29          1HD2      ASN  29  11.438  -2.474   5.184
   54   2HD2  ASN  29          2HD2      ASN  29   9.808  -2.078   5.456
   55    H    LEU  30           H        LEU  30  11.595   0.382  -0.041
   56    HA   LEU  30           HA       LEU  30  14.143  -0.595  -1.210
   57   1HB   LEU  30          2HB       LEU  30  12.516  -1.538  -2.551
   58   2HB   LEU  30          1HB       LEU  30  11.300  -0.375  -2.134
   59    HG   LEU  30           HG       LEU  30  12.336   1.251  -3.637
   60   1HD1  LEU  30          1HD1      LEU  30  14.704   0.334  -3.666
   61   2HD1  LEU  30          2HD1      LEU  30  14.076   0.433  -5.298
   62   3HD1  LEU  30          3HD1      LEU  30  14.113  -1.114  -4.469
   63   1HD2  LEU  30          1HD2      LEU  30  11.637  -1.429  -4.906
   64   2HD2  LEU  30          2HD2      LEU  30  11.641   0.107  -5.763
   65   3HD2  LEU  30          3HD2      LEU  30  10.515  -0.166  -4.440
   66    H    LEU  31           H        LEU  31  11.933   2.235  -1.594
   67    HA   LEU  31           HA       LEU  31  13.954   3.903  -2.774
   68   1HB   LEU  31          2HB       LEU  31  11.622   4.751  -0.985
   69   2HB   LEU  31          1HB       LEU  31  12.545   5.832  -2.006
   70    HG   LEU  31           HG       LEU  31  10.794   3.507  -2.973
   71   1HD1  LEU  31          1HD1      LEU  31  10.503   6.526  -3.315
   72   2HD1  LEU  31          2HD1      LEU  31   9.532   5.522  -2.248
   73   3HD1  LEU  31          3HD1      LEU  31   9.420   5.315  -3.987
   74   1HD2  LEU  31          1HD2      LEU  31  11.313   4.329  -5.276
   75   2HD2  LEU  31          2HD2      LEU  31  12.774   3.789  -4.486
   76   3HD2  LEU  31          3HD2      LEU  31  12.433   5.507  -4.619
   77    H    GLU  32           H        GLU  32  13.354   2.961   0.439
   78    HA   GLU  32           HA       GLU  32  15.451   4.835   1.467
   79   1HB   GLU  32          2HB       GLU  32  13.329   3.143   2.879
   80   2HB   GLU  32          1HB       GLU  32  14.523   4.095   3.742
   81   1HG   GLU  32          2HG       GLU  32  13.733   6.174   2.697
   82   2HG   GLU  32          1HG       GLU  32  12.713   5.286   1.585
   83    H    ARG  33           H        ARG  33  15.960   2.316  -0.094
   84    HA   ARG  33           HA       ARG  33  17.544   0.822   1.970
   85   1HB   ARG  33          2HB       ARG  33  17.820  -0.955   0.348
   86   2HB   ARG  33          1HB       ARG  33  16.139  -0.562   0.408
   87   1HG   ARG  33          2HG       ARG  33  16.068  -0.319  -1.809
   88   2HG   ARG  33          1HG       ARG  33  17.215   0.975  -1.812
   89   1HD   ARG  33          2HD       ARG  33  18.172  -0.813  -3.191
   90   2HD   ARG  33          1HD       ARG  33  19.033  -0.824  -1.688
   91    HE   ARG  33           HE       ARG  33  17.868  -2.755  -0.945
   92   1HH1  ARG  33          1HH2      ARG  33  16.850  -1.702  -4.060
   93   2HH1  ARG  33          2HH2      ARG  33  16.125  -3.185  -4.522
   94   1HH2  ARG  33          2HH1      ARG  33  16.870  -4.738  -1.450
   95   2HH2  ARG  33          1HH1      ARG  33  16.165  -4.965  -2.992
   96    H    GLN  34           H        GLN  34  17.783   2.475  -1.089
   97    HA   GLN  34           HA       GLN  34  20.240   2.444  -2.072
   98   1HB   GLN  34          2HB       GLN  34  18.515   4.849  -1.358
   99   2HB   GLN  34          1HB       GLN  34  20.058   5.095  -2.154
  100   1HG   GLN  34          2HG       GLN  34  18.069   3.133  -3.347
  101   2HG   GLN  34          1HG       GLN  34  17.878   4.856  -3.630
  102   1HE2  GLN  34          1HE2      GLN  34  19.276   5.792  -5.196
  103   2HE2  GLN  34          2HE2      GLN  34  20.557   4.947  -5.922
  104    H    ARG  35           H        ARG  35  19.669   4.796   0.320
  105    HA   ARG  35           HA       ARG  35  22.134   5.666   1.062
  106   1HB   ARG  35          2HB       ARG  35  21.098   6.201   3.257
  107   2HB   ARG  35          1HB       ARG  35  20.087   6.637   1.896
  108   1HG   ARG  35          2HG       ARG  35  18.796   4.433   2.187
  109   2HG   ARG  35          1HG       ARG  35  19.797   4.075   3.580
  110   1HD   ARG  35          2HD       ARG  35  17.806   6.376   3.316
  111   2HD   ARG  35          1HD       ARG  35  17.776   5.008   4.398
  112    HE   ARG  35           HE       ARG  35  19.662   5.826   5.595
  113   1HH1  ARG  35          1HH2      ARG  35  18.490   8.027   3.194
  114   2HH1  ARG  35          2HH2      ARG  35  19.215   9.419   3.881
  115   1HH2  ARG  35          2HH1      ARG  35  20.689   7.632   6.510
  116   2HH2  ARG  35          1HH1      ARG  35  20.507   9.174   5.796
  117    H    TYR  36           H        TYR  36  20.899   2.611   1.972
  118    HA   TYR  36           HA       TYR  36  22.841   2.173   4.120
  119   1HB   TYR  36          2HB       TYR  36  20.396   1.157   3.715
  120   2HB   TYR  36          1HB       TYR  36  21.250   0.007   2.719
  121    HD1  TYR  36           HD1      TYR  36  19.618  -0.719   5.056
  122    HD2  TYR  36           HD2      TYR  36  23.789   0.144   4.844
  123    HE1  TYR  36           HE1      TYR  36  20.006  -2.098   7.033
  124    HE2  TYR  36           HE2      TYR  36  24.154  -1.232   6.828
  125    HH   TYR  36           HH       TYR  36  21.944  -2.050   8.922
  126   1HT   TYR  36          1HT       TYR  36  24.174   2.960   1.808
  127   2HT   TYR  36          2HT       TYR  36  25.083   1.653   1.198
  Start of MODEL    8
    1    HN   AYA  24           H        ALA  24   1.023  -3.600   1.800
    2    HA   AYA  24           HA       ALA  24   3.107  -2.145   0.318
    3   1HB   AYA  24          1HB       ALA  24   2.452  -0.267   1.845
    4   2HB   AYA  24          2HB       ALA  24   1.437  -1.354   2.764
    5   3HB   AYA  24          3HB       ALA  24   1.020  -0.964   1.099
    6   1HM   AYA  24          1HA       ALA  24   0.385  -5.585   1.134
    7   2HM   AYA  24          2HA       ALA  24   1.768  -6.634   0.797
    8   3HM   AYA  24          3HA       ALA  24   0.860  -5.918  -0.533
    9    H    ARG  25           H        ARG  25   4.435  -4.124   1.130
   10    HA   ARG  25           HA       ARG  25   5.757  -3.366   3.729
   11   1HB   ARG  25          2HB       ARG  25   5.741  -6.087   2.311
   12   2HB   ARG  25          1HB       ARG  25   6.563  -5.733   3.819
   13   1HG   ARG  25          2HG       ARG  25   4.299  -5.117   4.822
   14   2HG   ARG  25          1HG       ARG  25   3.545  -5.630   3.324
   15   1HD   ARG  25          2HD       ARG  25   4.680  -7.910   3.644
   16   2HD   ARG  25          1HD       ARG  25   5.225  -7.365   5.206
   17    HE   ARG  25           HE       ARG  25   2.865  -7.072   5.901
   18   1HH1  ARG  25          1HH2      ARG  25   3.528  -9.138   3.198
   19   2HH1  ARG  25          2HH2      ARG  25   2.105 -10.059   3.366
   20   1HH2  ARG  25          2HH1      ARG  25   0.990  -8.244   6.164
   21   2HH2  ARG  25          1HH1      ARG  25   0.609  -9.538   5.112
   22    H    HIS  26           H        HIS  26   7.067  -5.335   1.028
   23    HA   HIS  26           HA       HIS  26   9.494  -3.612   1.189
   24   1HB   HIS  26          2HB       HIS  26   8.952  -6.235  -0.294
   25   2HB   HIS  26          1HB       HIS  26  10.473  -5.374  -0.349
   26    HD1  HIS  26           HD1      HIS  26  11.158  -7.835   0.732
   27    HD2  HIS  26           HD2      HIS  26   9.207  -5.105   3.193
   28    HE1  HIS  26           HE1      HIS  26  11.518  -8.476   3.114
   29    H    TYR  27           H        TYR  27   7.627  -2.165   0.363
   30    HA   TYR  27           HA       TYR  27   7.950  -1.884  -2.620
   31   1HB   TYR  27          2HB       TYR  27   5.559  -2.478  -1.697
   32   2HB   TYR  27          1HB       TYR  27   5.528  -0.855  -1.037
   33    HD1  TYR  27           HD1      TYR  27   6.165   1.085  -2.795
   34    HD2  TYR  27           HD2      TYR  27   4.772  -2.803  -3.885
   35    HE1  TYR  27           HE1      TYR  27   5.479   1.933  -4.973
   36    HE2  TYR  27           HE2      TYR  27   4.089  -1.934  -6.058
   37    HH   TYR  27           HH       TYR  27   5.124   0.540  -7.462
   38    H    LYS  28           H        LYS  28   7.406  -0.184   0.401
   39    HA   LYS  28           HA       LYS  28   8.242   2.389  -0.720
   40   1HB   LYS  28          2HB       LYS  28   6.525   2.179   1.110
   41   2HB   LYS  28          1HB       LYS  28   7.733   1.478   2.170
   42   1HG   LYS  28          2HG       LYS  28   8.178   4.225   0.953
   43   2HG   LYS  28          1HG       LYS  28   7.182   4.038   2.379
   44   1HD   LYS  28          2HD       LYS  28   8.941   3.237   3.696
   45   2HD   LYS  28          1HD       LYS  28   9.979   2.820   2.366
   46   1HE   LYS  28          2HE       LYS  28   9.943   5.351   1.787
   47   2HE   LYS  28          1HE       LYS  28   9.285   5.551   3.410
   48    HZ   LYS  28           HZ       LYS  28  11.299   4.287   4.233
   49    H    ASN  29           H        ASN  29   9.558   0.112   1.570
   50    HA   ASN  29           HA       ASN  29  11.982   1.124   2.310
   51   1HB   ASN  29          2HB       ASN  29  11.350  -1.797   1.736
   52   2HB   ASN  29          1HB       ASN  29  12.644  -1.228   2.780
   53   1HD2  ASN  29          1HD2      ASN  29  11.982  -1.553   4.932
   54   2HD2  ASN  29          2HD2      ASN  29  10.403  -1.224   5.481
   55    H    LEU  30           H        LEU  30  11.643   1.079  -0.705
   56    HA   LEU  30           HA       LEU  30  14.282   0.091  -1.687
   57   1HB   LEU  30          2HB       LEU  30  12.095   1.346  -3.384
   58   2HB   LEU  30          1HB       LEU  30  13.281   0.148  -3.855
   59    HG   LEU  30           HG       LEU  30  10.966  -0.272  -1.955
   60   1HD1  LEU  30          1HD1      LEU  30  10.043  -1.685  -3.809
   61   2HD1  LEU  30          2HD1      LEU  30  11.413  -1.235  -4.814
   62   3HD1  LEU  30          3HD1      LEU  30  10.252  -0.016  -4.300
   63   1HD2  LEU  30          1HD2      LEU  30  11.534  -2.716  -2.105
   64   2HD2  LEU  30          2HD2      LEU  30  12.860  -1.816  -1.396
   65   3HD2  LEU  30          3HD2      LEU  30  12.946  -2.331  -3.073
   66    H    LEU  31           H        LEU  31  12.030   2.817  -1.658
   67    HA   LEU  31           HA       LEU  31  13.770   4.840  -2.585
   68   1HB   LEU  31          2HB       LEU  31  11.526   4.942  -0.503
   69   2HB   LEU  31          1HB       LEU  31  12.262   6.381  -1.175
   70    HG   LEU  31           HG       LEU  31  10.862   4.223  -2.852
   71   1HD1  LEU  31          1HD1      LEU  31   9.000   5.892  -3.016
   72   2HD1  LEU  31          2HD1      LEU  31   9.862   6.957  -1.915
   73   3HD1  LEU  31          3HD1      LEU  31   9.268   5.404  -1.350
   74   1HD2  LEU  31          1HD2      LEU  31  11.762   7.065  -3.579
   75   2HD2  LEU  31          2HD2      LEU  31  10.931   5.939  -4.641
   76   3HD2  LEU  31          3HD2      LEU  31  12.564   5.599  -4.117
   77    H    GLU  32           H        GLU  32  13.508   3.183   0.358
   78    HA   GLU  32           HA       GLU  32  15.540   4.940   1.693
   79   1HB   GLU  32          2HB       GLU  32  13.559   2.854   2.677
   80   2HB   GLU  32          1HB       GLU  32  14.946   3.169   3.682
   81   1HG   GLU  32          2HG       GLU  32  13.323   4.680   4.543
   82   2HG   GLU  32          1HG       GLU  32  14.203   5.723   3.442
   83    H    ARG  33           H        ARG  33  16.275   3.162  -0.512
   84    HA   ARG  33           HA       ARG  33  18.014   1.207   0.899
   85   1HB   ARG  33          2HB       ARG  33  17.118   1.446  -1.984
   86   2HB   ARG  33          1HB       ARG  33  18.357   0.321  -1.570
   87   1HG   ARG  33          2HG       ARG  33  15.639   0.402  -0.340
   88   2HG   ARG  33          1HG       ARG  33  16.122  -0.746  -1.577
   89   1HD   ARG  33          2HD       ARG  33  17.135  -0.577   1.310
   90   2HD   ARG  33          1HD       ARG  33  16.160  -1.805   0.577
   91    HE   ARG  33           HE       ARG  33  18.990  -1.229  -0.316
   92   1HH1  ARG  33          1HH2      ARG  33  16.524  -3.519   0.507
   93   2HH1  ARG  33          2HH2      ARG  33  17.461  -4.888   0.127
   94   1HH2  ARG  33          2HH1      ARG  33  20.264  -3.007  -0.816
   95   2HH2  ARG  33          1HH1      ARG  33  19.642  -4.584  -0.613
   96    H    GLN  34           H        GLN  34  18.452   4.309  -0.400
   97    HA   GLN  34           HA       GLN  34  20.956   4.151  -1.676
   98   1HB   GLN  34          2HB       GLN  34  20.037   6.265   0.367
   99   2HB   GLN  34          1HB       GLN  34  21.513   6.401  -0.564
  100   1HG   GLN  34          2HG       GLN  34  20.044   6.119  -2.690
  101   2HG   GLN  34          1HG       GLN  34  18.663   6.432  -1.644
  102   1HE2  GLN  34          1HE2      GLN  34  18.133   8.678  -1.612
  103   2HE2  GLN  34          2HE2      GLN  34  19.303   9.897  -1.820
  104    H    ARG  35           H        ARG  35  20.212   3.836   1.669
  105    HA   ARG  35           HA       ARG  35  22.677   3.908   2.970
  106   1HB   ARG  35          2HB       ARG  35  21.607   2.376   4.640
  107   2HB   ARG  35          1HB       ARG  35  20.516   3.659   4.151
  108   1HG   ARG  35          2HG       ARG  35  19.646   1.920   2.352
  109   2HG   ARG  35          1HG       ARG  35  20.484   0.731   3.315
  110   1HD   ARG  35          2HD       ARG  35  18.337   2.620   4.329
  111   2HD   ARG  35          1HD       ARG  35  17.991   0.988   3.902
  112    HE   ARG  35           HE       ARG  35  19.437   1.970   6.284
  113   1HH1  ARG  35          1HH2      ARG  35  18.557  -0.702   4.333
  114   2HH1  ARG  35          2HH2      ARG  35  18.698  -1.901   5.552
  115   1HH2  ARG  35          2HH1      ARG  35  19.653   0.481   7.975
  116   2HH2  ARG  35          1HH1      ARG  35  19.416  -1.188   7.717
  117    H    TYR  36           H        TYR  36  21.572   1.592   0.772
  118    HA   TYR  36           HA       TYR  36  23.980  -0.146   1.112
  119   1HB   TYR  36          2HB       TYR  36  21.069  -0.808   0.765
  120   2HB   TYR  36          1HB       TYR  36  22.151  -1.714  -0.275
  121    HD1  TYR  36           HD1      TYR  36  22.235  -0.625   3.341
  122    HD2  TYR  36           HD2      TYR  36  22.709  -3.809   0.540
  123    HE1  TYR  36           HE1      TYR  36  22.765  -2.178   5.167
  124    HE2  TYR  36           HE2      TYR  36  23.228  -5.337   2.364
  125    HH   TYR  36           HH       TYR  36  24.087  -5.233   4.683
  126   1HT   TYR  36          1HT       TYR  36  23.914   2.269  -0.458
  127   2HT   TYR  36          2HT       TYR  36  24.030   1.811  -2.091
  Start of MODEL    9
    1    HN   AYA  24           H        ALA  24  -0.179  -1.696   0.594
    2    HA   AYA  24           HA       ALA  24   2.417  -0.355   0.308
    3   1HB   AYA  24          1HB       ALA  24   1.823   0.639   2.511
    4   2HB   AYA  24          2HB       ALA  24   0.434  -0.418   2.633
    5   3HB   AYA  24          3HB       ALA  24   0.484   0.826   1.389
    6   1HM   AYA  24          1HA       ALA  24  -1.068  -2.798  -1.019
    7   2HM   AYA  24          2HA       ALA  24   0.073  -3.935  -1.735
    8   3HM   AYA  24          3HA       ALA  24  -0.344  -2.444  -2.585
    9    H    ARG  25           H        ARG  25   3.055  -2.740   0.072
   10    HA   ARG  25           HA       ARG  25   4.225  -3.677   2.657
   11   1HB   ARG  25          2HB       ARG  25   4.133  -6.027   1.402
   12   2HB   ARG  25          1HB       ARG  25   2.673  -5.404   2.128
   13   1HG   ARG  25          2HG       ARG  25   2.092  -6.222  -0.043
   14   2HG   ARG  25          1HG       ARG  25   1.956  -4.493  -0.097
   15   1HD   ARG  25          2HD       ARG  25   4.554  -4.805  -1.043
   16   2HD   ARG  25          1HD       ARG  25   3.871  -6.308  -1.549
   17    HE   ARG  25           HE       ARG  25   2.937  -3.557  -2.259
   18   1HH1  ARG  25          1HH2      ARG  25   2.734  -6.986  -2.780
   19   2HH1  ARG  25          2HH2      ARG  25   1.919  -6.859  -4.270
   20   1HH2  ARG  25          2HH1      ARG  25   1.860  -3.336  -4.169
   21   2HH2  ARG  25          1HH1      ARG  25   1.341  -4.702  -5.075
   22    H    HIS  26           H        HIS  26   6.211  -5.030   2.112
   23    HA   HIS  26           HA       HIS  26   8.461  -4.101   1.544
   24   1HB   HIS  26          2HB       HIS  26   7.445  -6.341  -0.220
   25   2HB   HIS  26          1HB       HIS  26   9.141  -5.990   0.021
   26    HD1  HIS  26           HD1      HIS  26   8.242  -8.656   0.879
   27    HD2  HIS  26           HD2      HIS  26   8.097  -5.379   3.432
   28    HE1  HIS  26           HE1      HIS  26   8.229  -9.461   3.245
   29    H    TYR  27           H        TYR  27   7.674  -1.996   0.565
   30    HA   TYR  27           HA       TYR  27   8.618  -1.863  -2.279
   31   1HB   TYR  27          2HB       TYR  27   6.043  -1.477  -1.810
   32   2HB   TYR  27          1HB       TYR  27   6.520   0.049  -1.109
   33    HD1  TYR  27           HD1      TYR  27   8.060   1.601  -2.662
   34    HD2  TYR  27           HD2      TYR  27   5.664  -1.619  -4.107
   35    HE1  TYR  27           HE1      TYR  27   8.099   2.565  -4.911
   36    HE2  TYR  27           HE2      TYR  27   5.718  -0.639  -6.346
   37    HH   TYR  27           HH       TYR  27   7.766   1.942  -7.224
   38    H    LYS  28           H        LYS  28   7.878   0.142   0.508
   39    HA   LYS  28           HA       LYS  28   9.561   2.289   0.238
   40   1HB   LYS  28          2HB       LYS  28   8.028   1.303   2.341
   41   2HB   LYS  28          1HB       LYS  28   9.633   1.080   2.990
   42   1HG   LYS  28          2HG       LYS  28  10.085   3.558   2.331
   43   2HG   LYS  28          1HG       LYS  28   8.375   3.667   1.997
   44   1HD   LYS  28          2HD       LYS  28   8.747   4.492   4.230
   45   2HD   LYS  28          1HD       LYS  28   7.853   2.984   4.322
   46   1HE   LYS  28          2HE       LYS  28   9.805   3.222   5.943
   47   2HE   LYS  28          1HE       LYS  28   9.859   1.748   4.988
   48    HZ   LYS  28           HZ       LYS  28  11.430   4.235   4.390
   49    H    ASN  29           H        ASN  29  10.449  -0.887   1.229
   50    HA   ASN  29           HA       ASN  29  12.987  -0.778   2.159
   51   1HB   ASN  29          2HB       ASN  29  11.750  -2.728   0.191
   52   2HB   ASN  29          1HB       ASN  29  13.438  -2.928   0.634
   53   1HD2  ASN  29          1HD2      ASN  29  10.562  -4.239   1.495
   54   2HD2  ASN  29          2HD2      ASN  29  10.853  -4.440   3.159
   55    H    LEU  30           H        LEU  30  12.161  -0.352  -0.875
   56    HA   LEU  30           HA       LEU  30  14.736  -0.118  -2.346
   57   1HB   LEU  30          2HB       LEU  30  12.032   0.992  -3.220
   58   2HB   LEU  30          1HB       LEU  30  13.361   0.509  -4.246
   59    HG   LEU  30           HG       LEU  30  11.911  -1.387  -2.384
   60   1HD1  LEU  30          1HD1      LEU  30  10.692  -2.193  -4.440
   61   2HD1  LEU  30          2HD1      LEU  30  11.456  -0.918  -5.376
   62   3HD1  LEU  30          3HD1      LEU  30  10.334  -0.515  -4.084
   63   1HD2  LEU  30          1HD2      LEU  30  13.733  -1.920  -4.780
   64   2HD2  LEU  30          2HD2      LEU  30  12.922  -3.163  -3.848
   65   3HD2  LEU  30          3HD2      LEU  30  14.161  -2.177  -3.095
   66    H    LEU  31           H        LEU  31  12.209   2.167  -1.448
   67    HA   LEU  31           HA       LEU  31  13.709   4.539  -2.004
   68   1HB   LEU  31          2HB       LEU  31  11.579   4.092   0.178
   69   2HB   LEU  31          1HB       LEU  31  12.105   5.657  -0.397
   70    HG   LEU  31           HG       LEU  31  10.721   3.567  -2.175
   71   1HD1  LEU  31          1HD1      LEU  31   9.629   6.113  -0.890
   72   2HD1  LEU  31          2HD1      LEU  31   9.177   4.483  -0.417
   73   3HD1  LEU  31          3HD1      LEU  31   8.742   5.084  -2.005
   74   1HD2  LEU  31          1HD2      LEU  31  12.204   5.174  -3.423
   75   2HD2  LEU  31          2HD2      LEU  31  11.371   6.517  -2.662
   76   3HD2  LEU  31          3HD2      LEU  31  10.513   5.460  -3.765
   77    H    GLU  32           H        GLU  32  13.776   2.166   0.416
   78    HA   GLU  32           HA       GLU  32  15.622   3.767   2.146
   79   1HB   GLU  32          2HB       GLU  32  14.043   1.191   2.589
   80   2HB   GLU  32          1HB       GLU  32  15.111   1.881   3.797
   81   1HG   GLU  32          2HG       GLU  32  13.723   3.775   4.159
   82   2HG   GLU  32          1HG       GLU  32  13.066   3.757   2.542
   83    H    ARG  33           H        ARG  33  16.453   2.747  -0.371
   84    HA   ARG  33           HA       ARG  33  18.560   0.750   0.359
   85   1HB   ARG  33          2HB       ARG  33  17.464   1.712  -2.350
   86   2HB   ARG  33          1HB       ARG  33  18.804   0.623  -2.283
   87   1HG   ARG  33          2HG       ARG  33  16.159   0.048  -1.174
   88   2HG   ARG  33          1HG       ARG  33  16.748  -0.563  -2.715
   89   1HD   ARG  33          2HD       ARG  33  17.009  -2.385  -1.149
   90   2HD   ARG  33          1HD       ARG  33  18.621  -1.661  -1.260
   91    HE   ARG  33           HE       ARG  33  16.702  -0.643   0.777
   92   1HH1  ARG  33          1HH2      ARG  33  19.578  -2.490   0.117
   93   2HH1  ARG  33          2HH2      ARG  33  20.148  -2.440   1.728
   94   1HH2  ARG  33          2HH1      ARG  33  17.403  -0.509   2.814
   95   2HH2  ARG  33          1HH1      ARG  33  18.792  -1.339   3.382
   96    H    GLN  34           H        GLN  34  18.224   3.723  -1.465
   97    HA   GLN  34           HA       GLN  34  20.721   4.544  -2.028
   98   1HB   GLN  34          2HB       GLN  34  18.405   6.136  -0.836
   99   2HB   GLN  34          1HB       GLN  34  19.891   6.936  -1.297
  100   1HG   GLN  34          2HG       GLN  34  19.652   6.216  -3.627
  101   2HG   GLN  34          1HG       GLN  34  18.298   5.175  -3.235
  102   1HE2  GLN  34          1HE2      GLN  34  19.041   8.301  -4.373
  103   2HE2  GLN  34          2HE2      GLN  34  17.526   8.997  -4.044
  104    H    ARG  35           H        ARG  35  19.426   5.340   1.193
  105    HA   ARG  35           HA       ARG  35  22.230   5.731   2.065
  106   1HB   ARG  35          2HB       ARG  35  20.399   7.450   2.673
  107   2HB   ARG  35          1HB       ARG  35  19.724   6.226   3.746
  108   1HG   ARG  35          2HG       ARG  35  22.197   6.068   4.727
  109   2HG   ARG  35          1HG       ARG  35  22.454   7.576   3.886
  110   1HD   ARG  35          2HD       ARG  35  20.775   8.702   5.192
  111   2HD   ARG  35          1HD       ARG  35  20.209   7.226   5.934
  112    HE   ARG  35           HE       ARG  35  22.835   8.585   6.379
  113   1HH1  ARG  35          1HH2      ARG  35  20.646   6.072   7.261
  114   2HH1  ARG  35          2HH2      ARG  35  21.394   5.720   8.759
  115   1HH2  ARG  35          2HH1      ARG  35  23.890   8.154   8.321
  116   2HH2  ARG  35          1HH1      ARG  35  23.305   6.923   9.354
  117    H    TYR  36           H        TYR  36  21.773   3.216   1.484
  118    HA   TYR  36           HA       TYR  36  21.968   1.872   4.124
  119   1HB   TYR  36          2HB       TYR  36  19.634   1.666   2.493
  120   2HB   TYR  36          1HB       TYR  36  20.533   0.203   2.136
  121    HD1  TYR  36           HD1      TYR  36  18.255   1.690   4.400
  122    HD2  TYR  36           HD2      TYR  36  21.536  -1.030   4.288
  123    HE1  TYR  36           HE1      TYR  36  17.534   0.724   6.533
  124    HE2  TYR  36           HE2      TYR  36  20.804  -1.987   6.423
  125    HH   TYR  36           HH       TYR  36  18.956  -0.606   8.514
  126   1HT   TYR  36          1HT       TYR  36  22.048   1.302   0.587
  127   2HT   TYR  36          2HT       TYR  36  23.553   0.500   0.614
  Start of MODEL   10
    1    HN   AYA  24           H        ALA  24   2.238  -1.476   3.554
    2    HA   AYA  24           HA       ALA  24   4.112  -1.085   1.317
    3   1HB   AYA  24          1HB       ALA  24   3.308   0.903   2.640
    4   2HB   AYA  24          2HB       ALA  24   5.053   0.728   2.770
    5   3HB   AYA  24          3HB       ALA  24   4.024   0.213   4.092
    6   1HM   AYA  24          1HA       ALA  24   1.096  -4.415   2.740
    7   2HM   AYA  24          2HA       ALA  24   0.240  -3.331   1.644
    8   3HM   AYA  24          3HA       ALA  24   0.521  -2.847   3.317
    9    H    ARG  25           H        ARG  25   4.630  -3.368   1.600
   10    HA   ARG  25           HA       ARG  25   6.591  -3.947   3.775
   11   1HB   ARG  25          2HB       ARG  25   4.771  -5.597   3.335
   12   2HB   ARG  25          1HB       ARG  25   5.314  -5.786   1.682
   13   1HG   ARG  25          2HG       ARG  25   7.670  -6.338   2.932
   14   2HG   ARG  25          1HG       ARG  25   6.592  -6.708   4.252
   15   1HD   ARG  25          2HD       ARG  25   5.367  -8.373   2.836
   16   2HD   ARG  25          1HD       ARG  25   6.349  -7.892   1.476
   17    HE   ARG  25           HE       ARG  25   8.278  -8.824   2.405
   18   1HH1  ARG  25          1HH2      ARG  25   5.516  -9.243   4.391
   19   2HH1  ARG  25          2HH2      ARG  25   6.146 -10.526   5.335
   20   1HH2  ARG  25          2HH1      ARG  25   9.229 -10.452   3.590
   21   2HH2  ARG  25          1HH1      ARG  25   8.387 -11.244   4.855
   22    H    HIS  26           H        HIS  26   6.506  -4.769   0.283
   23    HA   HIS  26           HA       HIS  26   9.439  -4.100   0.237
   24   1HB   HIS  26          2HB       HIS  26   7.876  -6.177  -1.347
   25   2HB   HIS  26          1HB       HIS  26   9.518  -5.703  -1.729
   26    HD1  HIS  26           HD1      HIS  26   9.389  -8.474  -1.140
   27    HD2  HIS  26           HD2      HIS  26   9.634  -5.732   1.974
   28    HE1  HIS  26           HE1      HIS  26  10.266  -9.630   0.890
   29    H    TYR  27           H        TYR  27   7.498  -2.153  -0.113
   30    HA   TYR  27           HA       TYR  27   7.961  -1.436  -2.998
   31   1HB   TYR  27          2HB       TYR  27   5.405  -1.857  -2.069
   32   2HB   TYR  27          1HB       TYR  27   5.584  -0.171  -1.599
   33    HD1  TYR  27           HD1      TYR  27   6.288  -2.459  -4.462
   34    HD2  TYR  27           HD2      TYR  27   5.197   1.503  -3.319
   35    HE1  TYR  27           HE1      TYR  27   6.029  -1.854  -6.810
   36    HE2  TYR  27           HE2      TYR  27   4.941   2.093  -5.688
   37    HH   TYR  27           HH       TYR  27   4.653  -0.079  -8.109
   38    H    LYS  28           H        LYS  28   7.398  -0.174   0.240
   39    HA   LYS  28           HA       LYS  28   8.441   2.467  -0.406
   40   1HB   LYS  28          2HB       LYS  28   6.854   2.079   1.524
   41   2HB   LYS  28          1HB       LYS  28   8.038   1.057   2.315
   42   1HG   LYS  28          2HG       LYS  28   8.732   3.932   1.610
   43   2HG   LYS  28          1HG       LYS  28   7.825   3.559   3.060
   44   1HD   LYS  28          2HD       LYS  28   9.580   2.255   3.978
   45   2HD   LYS  28          1HD       LYS  28  10.494   2.167   2.505
   46   1HE   LYS  28          2HE       LYS  28  10.713   4.752   2.673
   47   2HE   LYS  28          1HE       LYS  28  10.150   4.534   4.336
   48    HZ   LYS  28           HZ       LYS  28  11.990   2.837   4.589
   49    H    ASN  29           H        ASN  29   9.637  -0.369   1.264
   50    HA   ASN  29           HA       ASN  29  12.182   0.299   1.956
   51   1HB   ASN  29          2HB       ASN  29  10.814  -2.291   1.244
   52   2HB   ASN  29          1HB       ASN  29  12.562  -2.353   1.444
   53   1HD2  ASN  29          1HD2      ASN  29  13.208  -2.660   3.573
   54   2HD2  ASN  29          2HD2      ASN  29  12.285  -2.197   4.924
   55    H    LEU  30           H        LEU  30  11.642   0.856  -0.987
   56    HA   LEU  30           HA       LEU  30  14.218  -0.053  -2.253
   57   1HB   LEU  30          2HB       LEU  30  12.008   1.579  -3.583
   58   2HB   LEU  30          1HB       LEU  30  13.131   0.459  -4.330
   59    HG   LEU  30           HG       LEU  30  10.915  -0.304  -2.392
   60   1HD1  LEU  30          1HD1      LEU  30  11.112  -0.661  -5.407
   61   2HD1  LEU  30          2HD1      LEU  30  10.044   0.446  -4.549
   62   3HD1  LEU  30          3HD1      LEU  30   9.811  -1.285  -4.399
   63   1HD2  LEU  30          1HD2      LEU  30  11.389  -2.664  -3.062
   64   2HD2  LEU  30          2HD2      LEU  30  12.801  -1.937  -2.318
   65   3HD2  LEU  30          3HD2      LEU  30  12.726  -2.118  -4.064
   66    H    LEU  31           H        LEU  31  12.107   2.639  -1.368
   67    HA   LEU  31           HA       LEU  31  13.865   4.787  -1.998
   68   1HB   LEU  31          2HB       LEU  31  11.854   4.561   0.320
   69   2HB   LEU  31          1HB       LEU  31  12.548   6.057  -0.257
   70    HG   LEU  31           HG       LEU  31  10.775   4.196  -1.924
   71   1HD1  LEU  31          1HD1      LEU  31   9.072   6.006  -1.679
   72   2HD1  LEU  31          2HD1      LEU  31  10.160   6.894  -0.629
   73   3HD1  LEU  31          3HD1      LEU  31   9.521   5.343  -0.119
   74   1HD2  LEU  31          1HD2      LEU  31  11.851   6.995  -2.533
   75   2HD2  LEU  31          2HD2      LEU  31  10.741   6.089  -3.540
   76   3HD2  LEU  31          3HD2      LEU  31  12.373   5.518  -3.335
   77    H    GLU  32           H        GLU  32  13.853   2.412   0.397
   78    HA   GLU  32           HA       GLU  32  15.987   3.791   1.995
   79   1HB   GLU  32          2HB       GLU  32  14.015   1.581   2.561
   80   2HB   GLU  32          1HB       GLU  32  15.508   1.486   3.448
   81   1HG   GLU  32          2HG       GLU  32  14.005   2.758   4.849
   82   2HG   GLU  32          1HG       GLU  32  15.040   3.983   4.135
   83    H    ARG  33           H        ARG  33  16.446   2.494  -0.679
   84    HA   ARG  33           HA       ARG  33  18.385   0.382   0.168
   85   1HB   ARG  33          2HB       ARG  33  17.149   1.137  -2.509
   86   2HB   ARG  33          1HB       ARG  33  18.314  -0.132  -2.390
   87   1HG   ARG  33          2HG       ARG  33  15.663   0.012  -0.977
   88   2HG   ARG  33          1HG       ARG  33  16.017  -1.078  -2.298
   89   1HD   ARG  33          2HD       ARG  33  17.203  -1.181   0.565
   90   2HD   ARG  33          1HD       ARG  33  15.968  -2.178  -0.166
   91    HE   ARG  33           HE       ARG  33  18.633  -2.155  -1.495
   92   1HH1  ARG  33          1HH2      ARG  33  16.376  -3.742   0.565
   93   2HH1  ARG  33          2HH2      ARG  33  17.047  -5.313   0.358
   94   1HH2  ARG  33          2HH1      ARG  33  19.598  -4.162  -1.763
   95   2HH2  ARG  33          1HH1      ARG  33  18.967  -5.549  -0.991
   96    H    GLN  34           H        GLN  34  18.482   3.463  -0.166
   97    HA   GLN  34           HA       GLN  34  21.231   3.666  -1.369
   98   1HB   GLN  34          2HB       GLN  34  18.965   5.640  -1.014
   99   2HB   GLN  34          1HB       GLN  34  20.523   6.257  -0.524
  100   1HG   GLN  34          2HG       GLN  34  21.420   5.561  -2.820
  101   2HG   GLN  34          1HG       GLN  34  19.749   5.301  -3.303
  102   1HE2  GLN  34          1HE2      GLN  34  18.703   7.194  -4.071
  103   2HE2  GLN  34          2HE2      GLN  34  19.236   8.763  -3.693
  104    H    ARG  35           H        ARG  35  19.431   5.151   1.288
  105    HA   ARG  35           HA       ARG  35  21.773   4.903   3.057
  106   1HB   ARG  35          2HB       ARG  35  19.108   6.388   3.385
  107   2HB   ARG  35          1HB       ARG  35  20.391   6.391   4.574
  108   1HG   ARG  35          2HG       ARG  35  21.949   7.472   2.988
  109   2HG   ARG  35          1HG       ARG  35  20.770   7.367   1.703
  110   1HD   ARG  35          2HD       ARG  35  20.877   9.631   2.724
  111   2HD   ARG  35          1HD       ARG  35  19.276   8.967   2.833
  112    HE   ARG  35           HE       ARG  35  21.292   9.195   5.053
  113   1HH1  ARG  35          1HH2      ARG  35  18.041   8.543   4.059
  114   2HH1  ARG  35          2HH2      ARG  35  17.382   8.676   5.635
  115   1HH2  ARG  35          2HH1      ARG  35  20.494   9.326   7.122
  116   2HH2  ARG  35          1HH1      ARG  35  18.828   9.082   7.432
  117    H    TYR  36           H        TYR  36  21.257   2.691   2.653
  118    HA   TYR  36           HA       TYR  36  19.719   0.754   3.100
  119   1HB   TYR  36          2HB       TYR  36  22.151   1.273   4.825
  120   2HB   TYR  36          1HB       TYR  36  21.225  -0.185   5.098
  121    HD1  TYR  36           HD1      TYR  36  22.838   1.748   2.265
  122    HD2  TYR  36           HD2      TYR  36  21.577  -2.047   3.757
  123    HE1  TYR  36           HE1      TYR  36  23.837   0.659   0.341
  124    HE2  TYR  36           HE2      TYR  36  22.602  -3.131   1.817
  125    HH   TYR  36           HH       TYR  36  24.799  -1.741  -0.111
  126   1HT   TYR  36          1HT       TYR  36  17.629   1.618   3.834
  127   2HT   TYR  36          2HT       TYR  36  17.253   1.510   5.501
  Start of MODEL   11
    1    HN   AYA  24           H        ALA  24   1.740  -3.155  -1.969
    2    HA   AYA  24           HA       ALA  24   4.212  -1.627  -1.610
    3   1HB   AYA  24          1HB       ALA  24   2.081  -0.491  -2.291
    4   2HB   AYA  24          2HB       ALA  24   2.675   0.141  -0.763
    5   3HB   AYA  24          3HB       ALA  24   1.341  -0.995  -0.773
    6   1HM   AYA  24          1HA       ALA  24   3.020  -6.144  -2.331
    7   2HM   AYA  24          2HA       ALA  24   3.251  -5.358  -3.894
    8   3HM   AYA  24          3HA       ALA  24   1.765  -5.089  -2.982
    9    H    ARG  25           H        ARG  25   4.856  -3.541  -0.307
   10    HA   ARG  25           HA       ARG  25   4.344  -3.067   2.616
   11   1HB   ARG  25          2HB       ARG  25   3.539  -5.344   1.602
   12   2HB   ARG  25          1HB       ARG  25   5.224  -5.753   1.411
   13   1HG   ARG  25          2HG       ARG  25   3.709  -5.234   3.997
   14   2HG   ARG  25          1HG       ARG  25   4.469  -6.727   3.495
   15   1HD   ARG  25          2HD       ARG  25   6.713  -5.485   3.621
   16   2HD   ARG  25          1HD       ARG  25   5.869  -4.189   4.461
   17    HE   ARG  25           HE       ARG  25   5.028  -6.003   6.039
   18   1HH1  ARG  25          1HH2      ARG  25   8.121  -6.137   4.494
   19   2HH1  ARG  25          2HH2      ARG  25   8.829  -7.170   5.655
   20   1HH2  ARG  25          2HH1      ARG  25   5.919  -7.317   7.631
   21   2HH2  ARG  25          1HH1      ARG  25   7.545  -7.824   7.516
   22    H    HIS  26           H        HIS  26   6.599  -4.318   0.183
   23    HA   HIS  26           HA       HIS  26   8.881  -3.788   1.934
   24   1HB   HIS  26          2HB       HIS  26  10.232  -4.528  -0.129
   25   2HB   HIS  26          1HB       HIS  26   9.114  -5.740   0.457
   26    HD1  HIS  26           HD1      HIS  26   6.991  -6.172  -1.046
   27    HD2  HIS  26           HD2      HIS  26   9.698  -3.390  -2.556
   28    HE1  HIS  26           HE1      HIS  26   6.436  -5.698  -3.427
   29    H    TYR  27           H        TYR  27   7.557  -2.524  -0.906
   30    HA   TYR  27           HA       TYR  27   8.961  -0.666  -2.100
   31   1HB   TYR  27          2HB       TYR  27   6.234  -0.310  -0.868
   32   2HB   TYR  27          1HB       TYR  27   6.993   1.098  -1.568
   33    HD1  TYR  27           HD1      TYR  27   6.403  -2.545  -2.521
   34    HD2  TYR  27           HD2      TYR  27   6.630   1.517  -3.791
   35    HE1  TYR  27           HE1      TYR  27   5.767  -3.205  -4.771
   36    HE2  TYR  27           HE2      TYR  27   5.991   0.845  -6.037
   37    HH   TYR  27           HH       TYR  27   5.803  -0.988  -7.451
   38    H    LYS  28           H        LYS  28   7.735   0.290   1.044
   39    HA   LYS  28           HA       LYS  28   9.028   2.749   1.404
   40   1HB   LYS  28          2HB       LYS  28   7.289   1.296   2.865
   41   2HB   LYS  28          1HB       LYS  28   8.727   0.767   3.698
   42   1HG   LYS  28          2HG       LYS  28   7.787   3.645   3.444
   43   2HG   LYS  28          1HG       LYS  28   7.630   2.640   4.863
   44   1HD   LYS  28          2HD       LYS  28   9.595   3.404   5.549
   45   2HD   LYS  28          1HD       LYS  28  10.368   2.467   4.299
   46   1HE   LYS  28          2HE       LYS  28   9.841   4.549   2.756
   47   2HE   LYS  28          1HE       LYS  28   9.551   5.400   4.275
   48    HZ   LYS  28           HZ       LYS  28  11.858   4.493   4.939
   49    H    ASN  29           H        ASN  29  10.154  -0.388   2.402
   50    HA   ASN  29           HA       ASN  29  12.776   0.453   3.163
   51   1HB   ASN  29          2HB       ASN  29  11.369  -1.601   4.043
   52   2HB   ASN  29          1HB       ASN  29  11.821  -2.388   2.551
   53   1HD2  ASN  29          1HD2      ASN  29  14.703  -0.919   3.130
   54   2HD2  ASN  29          2HD2      ASN  29  15.362  -2.046   4.212
   55    H    LEU  30           H        LEU  30  11.600   0.278   0.286
   56    HA   LEU  30           HA       LEU  30  14.103  -0.674  -1.060
   57   1HB   LEU  30          2HB       LEU  30  12.398  -1.717  -2.239
   58   2HB   LEU  30          1HB       LEU  30  11.177  -0.580  -1.772
   59    HG   LEU  30           HG       LEU  30  12.101   1.048  -3.372
   60   1HD1  LEU  30          1HD1      LEU  30  14.467   0.158  -3.512
   61   2HD1  LEU  30          2HD1      LEU  30  13.755   0.209  -5.114
   62   3HD1  LEU  30          3HD1      LEU  30  13.859  -1.317  -4.254
   63   1HD2  LEU  30          1HD2      LEU  30  11.407  -1.669  -4.557
   64   2HD2  LEU  30          2HD2      LEU  30  11.345  -0.150  -5.442
   65   3HD2  LEU  30          3HD2      LEU  30  10.272  -0.412  -4.075
   66    H    LEU  31           H        LEU  31  11.695   1.920  -1.021
   67    HA   LEU  31           HA       LEU  31  13.070   3.944  -2.414
   68   1HB   LEU  31          2HB       LEU  31  11.345   4.204   0.086
   69   2HB   LEU  31          1HB       LEU  31  11.733   5.559  -0.947
   70    HG   LEU  31           HG       LEU  31  10.050   3.098  -1.689
   71   1HD1  LEU  31          1HD1      LEU  31   8.968   4.714  -0.120
   72   2HD1  LEU  31          2HD1      LEU  31   8.182   4.757  -1.688
   73   3HD1  LEU  31          3HD1      LEU  31   9.308   6.024  -1.231
   74   1HD2  LEU  31          1HD2      LEU  31  11.267   4.008  -3.692
   75   2HD2  LEU  31          2HD2      LEU  31  10.626   5.604  -3.334
   76   3HD2  LEU  31          3HD2      LEU  31   9.547   4.299  -3.785
   77    H    GLU  32           H        GLU  32  13.295   2.901   0.871
   78    HA   GLU  32           HA       GLU  32  15.519   4.774   1.477
   79   1HB   GLU  32          2HB       GLU  32  13.794   2.893   3.128
   80   2HB   GLU  32          1HB       GLU  32  15.282   3.463   3.830
   81   1HG   GLU  32          2HG       GLU  32  13.830   5.142   4.585
   82   2HG   GLU  32          1HG       GLU  32  14.262   5.869   3.046
   83    H    ARG  33           H        ARG  33  15.964   2.482  -0.420
   84    HA   ARG  33           HA       ARG  33  17.951   0.910   1.192
   85   1HB   ARG  33          2HB       ARG  33  17.718  -0.819  -0.322
   86   2HB   ARG  33          1HB       ARG  33  16.158  -0.088  -0.474
   87   1HG   ARG  33          2HG       ARG  33  16.716  -0.530  -2.696
   88   2HG   ARG  33          1HG       ARG  33  17.093   1.164  -2.561
   89   1HD   ARG  33          2HD       ARG  33  19.561   0.630  -2.392
   90   2HD   ARG  33          1HD       ARG  33  19.158  -1.057  -2.112
   91    HE   ARG  33           HE       ARG  33  18.453   0.342  -4.656
   92   1HH1  ARG  33          1HH2      ARG  33  20.084  -2.307  -3.057
   93   2HH1  ARG  33          2HH2      ARG  33  20.323  -3.200  -4.492
   94   1HH2  ARG  33          2HH1      ARG  33  18.867  -0.787  -6.555
   95   2HH2  ARG  33          1HH1      ARG  33  19.651  -2.308  -6.520
   96    H    GLN  34           H        GLN  34  17.656   3.209  -1.331
   97    HA   GLN  34           HA       GLN  34  20.010   3.272  -2.723
   98   1HB   GLN  34          2HB       GLN  34  18.093   4.874  -2.978
   99   2HB   GLN  34          1HB       GLN  34  18.600   5.715  -1.530
  100   1HG   GLN  34          2HG       GLN  34  20.673   6.402  -2.557
  101   2HG   GLN  34          1HG       GLN  34  20.367   5.452  -4.011
  102   1HE2  GLN  34          1HE2      GLN  34  19.894   7.070  -5.625
  103   2HE2  GLN  34          2HE2      GLN  34  18.794   8.338  -5.355
  104    H    ARG  35           H        ARG  35  19.848   4.105   0.663
  105    HA   ARG  35           HA       ARG  35  22.768   4.578   0.699
  106   1HB   ARG  35          2HB       ARG  35  20.606   5.896   2.425
  107   2HB   ARG  35          1HB       ARG  35  22.319   6.171   2.626
  108   1HG   ARG  35          2HG       ARG  35  20.752   6.810   0.071
  109   2HG   ARG  35          1HG       ARG  35  21.157   7.978   1.308
  110   1HD   ARG  35          2HD       ARG  35  23.503   7.760   0.915
  111   2HD   ARG  35          1HD       ARG  35  23.354   6.356  -0.095
  112    HE   ARG  35           HE       ARG  35  22.543   9.146  -0.783
  113   1HH1  ARG  35          1HH2      ARG  35  23.020   5.831  -1.776
  114   2HH1  ARG  35          2HH2      ARG  35  23.112   6.199  -3.430
  115   1HH2  ARG  35          2HH1      ARG  35  22.507   9.632  -2.958
  116   2HH2  ARG  35          1HH1      ARG  35  22.717   8.403  -4.131
  117    H    TYR  36           H        TYR  36  21.385   2.160   0.978
  118    HA   TYR  36           HA       TYR  36  21.918   1.391   3.829
  119   1HB   TYR  36          2HB       TYR  36  19.542   1.084   2.777
  120   2HB   TYR  36          1HB       TYR  36  20.272  -0.124   1.733
  121    HD1  TYR  36           HD1      TYR  36  21.535  -2.125   2.962
  122    HD2  TYR  36           HD2      TYR  36  18.725   0.442   4.887
  123    HE1  TYR  36           HE1      TYR  36  21.216  -3.784   4.713
  124    HE2  TYR  36           HE2      TYR  36  18.415  -1.244   6.641
  125    HH   TYR  36           HH       TYR  36  20.446  -3.941   7.025
  126   1HT   TYR  36          1HT       TYR  36  24.255   1.473   3.016
  127   2HT   TYR  36          2HT       TYR  36  24.837   0.118   2.167
  Start of MODEL   12
    1    HN   AYA  24           H        ALA  24   2.870  -0.983   3.133
    2    HA   AYA  24           HA       ALA  24   3.547  -1.610   0.358
    3   1HB   AYA  24          1HB       ALA  24   3.545   0.717   1.218
    4   2HB   AYA  24          2HB       ALA  24   5.153   0.290   0.673
    5   3HB   AYA  24          3HB       ALA  24   4.793   0.293   2.381
    6   1HM   AYA  24          1HA       ALA  24   1.221  -1.947   4.175
    7   2HM   AYA  24          2HA       ALA  24   1.118  -3.685   3.899
    8   3HM   AYA  24          3HA       ALA  24   0.068  -2.587   3.007
    9    H    ARG  25           H        ARG  25   3.969  -3.746   2.032
   10    HA   ARG  25           HA       ARG  25   6.141  -4.617   3.194
   11   1HB   ARG  25          2HB       ARG  25   4.180  -5.919   1.991
   12   2HB   ARG  25          1HB       ARG  25   5.372  -6.238   0.753
   13   1HG   ARG  25          2HG       ARG  25   6.937  -7.141   2.577
   14   2HG   ARG  25          1HG       ARG  25   5.646  -6.893   3.734
   15   1HD   ARG  25          2HD       ARG  25   5.565  -9.185   3.071
   16   2HD   ARG  25          1HD       ARG  25   4.167  -8.409   2.301
   17    HE   ARG  25           HE       ARG  25   6.209  -8.129   0.452
   18   1HH1  ARG  25          1HH2      ARG  25   4.727 -10.787   2.105
   19   2HH1  ARG  25          2HH2      ARG  25   5.044 -11.943   0.880
   20   1HH2  ARG  25          2HH1      ARG  25   6.633  -9.539  -1.172
   21   2HH2  ARG  25          1HH1      ARG  25   6.149 -11.181  -1.095
   22    H    HIS  26           H        HIS  26   6.389  -4.372  -0.357
   23    HA   HIS  26           HA       HIS  26   9.384  -4.225   0.005
   24   1HB   HIS  26          2HB       HIS  26   7.943  -5.656  -2.281
   25   2HB   HIS  26          1HB       HIS  26   9.678  -5.546  -2.072
   26    HD1  HIS  26           HD1      HIS  26   9.020  -6.155   1.203
   27    HD2  HIS  26           HD2      HIS  26   8.409  -8.415  -2.233
   28    HE1  HIS  26           HE1      HIS  26   8.886  -8.584   1.830
   29    H    TYR  27           H        TYR  27   7.689  -2.101  -0.069
   30    HA   TYR  27           HA       TYR  27   8.397  -0.816  -2.690
   31   1HB   TYR  27          2HB       TYR  27   5.811  -1.312  -1.791
   32   2HB   TYR  27          1HB       TYR  27   6.088   0.253  -1.082
   33    HD1  TYR  27           HD1      TYR  27   6.550  -1.434  -4.383
   34    HD2  TYR  27           HD2      TYR  27   5.477   2.131  -2.320
   35    HE1  TYR  27           HE1      TYR  27   5.968  -0.363  -6.510
   36    HE2  TYR  27           HE2      TYR  27   4.901   3.186  -4.442
   37    HH   TYR  27           HH       TYR  27   4.135   2.340  -6.792
   38    H    LYS  28           H        LYS  28   7.348   0.014   0.554
   39    HA   LYS  28           HA       LYS  28   8.582   2.504   0.831
   40   1HB   LYS  28          2HB       LYS  28   7.025   1.170   2.454
   41   2HB   LYS  28          1HB       LYS  28   8.474   0.432   3.099
   42   1HG   LYS  28          2HG       LYS  28   7.894   3.428   3.006
   43   2HG   LYS  28          1HG       LYS  28   7.641   2.425   4.411
   44   1HD   LYS  28          2HD       LYS  28   9.767   2.767   5.042
   45   2HD   LYS  28          1HD       LYS  28  10.350   1.964   3.611
   46   1HE   LYS  28          2HE       LYS  28  10.117   4.179   2.379
   47   2HE   LYS  28          1HE       LYS  28   9.731   4.938   3.926
   48    HZ   LYS  28           HZ       LYS  28  11.958   3.829   4.691
   49    H    ASN  29           H        ASN  29  10.054  -0.513   1.920
   50    HA   ASN  29           HA       ASN  29  12.630   0.663   2.321
   51   1HB   ASN  29          2HB       ASN  29  11.827  -2.286   2.026
   52   2HB   ASN  29          1HB       ASN  29  13.427  -1.760   2.494
   53   1HD2  ASN  29          1HD2      ASN  29  11.301   0.457   3.919
   54   2HD2  ASN  29          2HD2      ASN  29  11.155  -0.335   5.417
   55    H    LEU  30           H        LEU  30  11.631   1.018  -0.517
   56    HA   LEU  30           HA       LEU  30  13.917  -0.263  -1.938
   57   1HB   LEU  30          2HB       LEU  30  11.896  -0.604  -3.264
   58   2HB   LEU  30          1HB       LEU  30  11.202   0.911  -2.746
   59    HG   LEU  30           HG       LEU  30  12.594   2.184  -4.001
   60   1HD1  LEU  30          1HD1      LEU  30  13.939  -0.401  -5.031
   61   2HD1  LEU  30          2HD1      LEU  30  14.726   0.837  -4.055
   62   3HD1  LEU  30          3HD1      LEU  30  14.247   1.190  -5.705
   63   1HD2  LEU  30          1HD2      LEU  30  10.583   1.346  -5.156
   64   2HD2  LEU  30          2HD2      LEU  30  11.424  -0.101  -5.683
   65   3HD2  LEU  30          3HD2      LEU  30  11.867   1.458  -6.340
   66    H    LEU  31           H        LEU  31  12.104   2.841  -1.620
   67    HA   LEU  31           HA       LEU  31  14.202   4.537  -2.428
   68   1HB   LEU  31          2HB       LEU  31  11.883   4.906  -0.474
   69   2HB   LEU  31          1HB       LEU  31  12.997   6.220  -0.779
   70    HG   LEU  31           HG       LEU  31  11.522   4.765  -3.054
   71   1HD1  LEU  31          1HD1      LEU  31  10.742   7.357  -1.632
   72   2HD1  LEU  31          2HD1      LEU  31   9.861   5.846  -1.521
   73   3HD1  LEU  31          3HD1      LEU  31   9.939   6.699  -3.050
   74   1HD2  LEU  31          1HD2      LEU  31  12.125   6.829  -4.315
   75   2HD2  LEU  31          2HD2      LEU  31  13.589   6.116  -3.677
   76   3HD2  LEU  31          3HD2      LEU  31  12.876   7.515  -2.894
   77    H    GLU  32           H        GLU  32  13.702   2.875   0.578
   78    HA   GLU  32           HA       GLU  32  16.068   4.240   1.799
   79   1HB   GLU  32          2HB       GLU  32  13.928   2.405   2.984
   80   2HB   GLU  32          1HB       GLU  32  15.356   2.812   3.889
   81   1HG   GLU  32          2HG       GLU  32  13.963   4.526   4.626
   82   2HG   GLU  32          1HG       GLU  32  14.586   5.337   3.202
   83    H    ARG  33           H        ARG  33  16.267   2.097  -0.359
   84    HA   ARG  33           HA       ARG  33  17.820   0.074   1.217
   85   1HB   ARG  33          2HB       ARG  33  17.584  -1.344  -0.684
   86   2HB   ARG  33          1HB       ARG  33  16.038  -0.600  -0.420
   87   1HG   ARG  33          2HG       ARG  33  16.079  -0.142  -2.638
   88   2HG   ARG  33          1HG       ARG  33  17.092   1.200  -2.167
   89   1HD   ARG  33          2HD       ARG  33  18.227  -0.003  -3.958
   90   2HD   ARG  33          1HD       ARG  33  19.115  -0.197  -2.478
   91    HE   ARG  33           HE       ARG  33  18.244  -2.425  -2.182
   92   1HH1  ARG  33          1HH2      ARG  33  17.437  -0.977  -5.197
   93   2HH1  ARG  33          2HH2      ARG  33  17.161  -2.451  -6.014
   94   1HH2  ARG  33          2HH1      ARG  33  17.858  -4.411  -3.173
   95   2HH2  ARG  33          1HH1      ARG  33  17.382  -4.449  -4.808
   96    H    GLN  34           H        GLN  34  18.193   2.820  -0.524
   97    HA   GLN  34           HA       GLN  34  21.034   2.331  -1.334
   98   1HB   GLN  34          2HB       GLN  34  19.107   4.630  -1.995
   99   2HB   GLN  34          1HB       GLN  34  20.755   4.532  -2.577
  100   1HG   GLN  34          2HG       GLN  34  20.243   2.475  -3.832
  101   2HG   GLN  34          1HG       GLN  34  18.618   2.418  -3.156
  102   1HE2  GLN  34          1HE2      GLN  34  20.384   3.573  -5.876
  103   2HE2  GLN  34          2HE2      GLN  34  19.190   4.679  -6.396
  104    H    ARG  35           H        ARG  35  19.061   4.712   0.442
  105    HA   ARG  35           HA       ARG  35  21.496   5.541   1.910
  106   1HB   ARG  35          2HB       ARG  35  18.882   6.987   1.257
  107   2HB   ARG  35          1HB       ARG  35  19.927   7.569   2.528
  108   1HG   ARG  35          2HG       ARG  35  20.934   7.152  -0.346
  109   2HG   ARG  35          1HG       ARG  35  20.241   8.664   0.201
  110   1HD   ARG  35          2HD       ARG  35  22.028   8.861   1.966
  111   2HD   ARG  35          1HD       ARG  35  22.663   7.317   1.487
  112    HE   ARG  35           HE       ARG  35  23.350   8.168  -0.628
  113   1HH1  ARG  35          1HH2      ARG  35  22.263  10.589   1.576
  114   2HH1  ARG  35          2HH2      ARG  35  23.093  11.886   0.827
  115   1HH2  ARG  35          2HH1      ARG  35  24.451   9.812  -1.675
  116   2HH2  ARG  35          1HH1      ARG  35  24.366  11.422  -1.113
  117    H    TYR  36           H        TYR  36  20.337   3.243   2.368
  118    HA   TYR  36           HA       TYR  36  18.860   1.987   3.799
  119   1HB   TYR  36          2HB       TYR  36  21.358   2.881   5.229
  120   2HB   TYR  36          1HB       TYR  36  20.407   1.468   5.669
  121    HD1  TYR  36           HD1      TYR  36  22.193   3.016   2.725
  122    HD2  TYR  36           HD2      TYR  36  20.920  -0.577   4.623
  123    HE1  TYR  36           HE1      TYR  36  23.384   1.723   1.054
  124    HE2  TYR  36           HE2      TYR  36  22.136  -1.869   2.943
  125    HH   TYR  36           HH       TYR  36  23.105  -0.720   0.114
  126   1HT   TYR  36          1HT       TYR  36  20.170   3.983   6.462
  127   2HT   TYR  36          2HT       TYR  36  18.631   4.346   7.088
  Start of MODEL   13
    1    HN   AYA  24           H        ALA  24   1.585  -4.916  -0.376
    2    HA   AYA  24           HA       ALA  24   3.268  -2.612  -1.263
    3   1HB   AYA  24          1HB       ALA  24   1.615  -2.968   1.297
    4   2HB   AYA  24          2HB       ALA  24   1.115  -2.060  -0.121
    5   3HB   AYA  24          3HB       ALA  24   2.485  -1.520   0.829
    6   1HM   AYA  24          1HA       ALA  24   0.942  -6.376  -1.849
    7   2HM   AYA  24          2HA       ALA  24   2.278  -6.797  -2.929
    8   3HM   AYA  24          3HA       ALA  24   0.982  -5.755  -3.499
    9    H    ARG  25           H        ARG  25   2.925  -4.735   1.411
   10    HA   ARG  25           HA       ARG  25   4.425  -5.056   3.273
   11   1HB   ARG  25          2HB       ARG  25   5.606  -6.712   1.010
   12   2HB   ARG  25          1HB       ARG  25   5.539  -7.129   2.709
   13   1HG   ARG  25          2HG       ARG  25   2.982  -7.092   2.540
   14   2HG   ARG  25          1HG       ARG  25   3.153  -6.843   0.812
   15   1HD   ARG  25          2HD       ARG  25   4.595  -9.011   0.809
   16   2HD   ARG  25          1HD       ARG  25   3.980  -9.303   2.414
   17    HE   ARG  25           HE       ARG  25   2.347  -9.036  -0.085
   18   1HH1  ARG  25          1HH2      ARG  25   2.609 -10.249   3.161
   19   2HH1  ARG  25          2HH2      ARG  25   1.161 -11.150   3.080
   20   1HH2  ARG  25          2HH1      ARG  25   0.467 -10.192  -0.220
   21   2HH2  ARG  25          1HH1      ARG  25  -0.092 -11.120   1.102
   22    H    HIS  26           H        HIS  26   6.596  -4.706   0.449
   23    HA   HIS  26           HA       HIS  26   8.458  -3.128   2.142
   24   1HB   HIS  26          2HB       HIS  26   8.923  -5.879   1.116
   25   2HB   HIS  26          1HB       HIS  26  10.170  -4.763   0.580
   26    HD1  HIS  26           HD1      HIS  26   8.327  -4.648   3.886
   27    HD2  HIS  26           HD2      HIS  26  12.140  -5.258   2.327
   28    HE1  HIS  26           HE1      HIS  26   9.973  -4.783   5.765
   29    H    TYR  27           H        TYR  27   7.126  -1.657   0.768
   30    HA   TYR  27           HA       TYR  27   8.354  -1.253  -1.916
   31   1HB   TYR  27          2HB       TYR  27   6.400   0.007  -2.487
   32   2HB   TYR  27          1HB       TYR  27   5.831  -1.460  -1.723
   33    HD1  TYR  27           HD1      TYR  27   5.327  -1.183   0.952
   34    HD2  TYR  27           HD2      TYR  27   5.440   2.025  -1.854
   35    HE1  TYR  27           HE1      TYR  27   4.010   0.181   2.462
   36    HE2  TYR  27           HE2      TYR  27   4.102   3.387  -0.323
   37    HH   TYR  27           HH       TYR  27   3.292   2.330   2.909
   38    H    LYS  28           H        LYS  28   7.104   0.786   0.686
   39    HA   LYS  28           HA       LYS  28   8.532   3.119   0.085
   40   1HB   LYS  28          2HB       LYS  28   6.768   2.979   1.894
   41   2HB   LYS  28          1HB       LYS  28   7.856   2.034   2.892
   42   1HG   LYS  28          2HG       LYS  28   8.695   4.798   1.922
   43   2HG   LYS  28          1HG       LYS  28   7.653   4.644   3.315
   44   1HD   LYS  28          2HD       LYS  28   9.285   3.546   4.601
   45   2HD   LYS  28          1HD       LYS  28  10.258   3.050   3.251
   46   1HE   LYS  28          2HE       LYS  28  10.592   5.644   2.852
   47   2HE   LYS  28          1HE       LYS  28  10.073   5.772   4.535
   48    HZ   LYS  28           HZ       LYS  28  11.889   4.175   5.118
   49    H    ASN  29           H        ASN  29   9.559   0.327   1.945
   50    HA   ASN  29           HA       ASN  29  12.096   1.386   2.688
   51   1HB   ASN  29          2HB       ASN  29  10.950  -0.766   3.644
   52   2HB   ASN  29          1HB       ASN  29  11.710  -1.609   2.289
   53   1HD2  ASN  29          1HD2      ASN  29  13.782  -2.441   2.947
   54   2HD2  ASN  29          2HD2      ASN  29  14.797  -1.639   4.062
   55    H    LEU  30           H        LEU  30  11.451   1.281  -0.278
   56    HA   LEU  30           HA       LEU  30  14.040   0.132  -1.339
   57   1HB   LEU  30          2HB       LEU  30  11.651   1.405  -2.795
   58   2HB   LEU  30          1HB       LEU  30  12.994   0.588  -3.575
   59    HG   LEU  30           HG       LEU  30  11.237  -0.697  -1.503
   60   1HD1  LEU  30          1HD1      LEU  30   9.878  -0.058  -3.526
   61   2HD1  LEU  30          2HD1      LEU  30  10.066  -1.799  -3.504
   62   3HD1  LEU  30          3HD1      LEU  30  11.049  -0.821  -4.585
   63   1HD2  LEU  30          1HD2      LEU  30  12.110  -2.834  -2.486
   64   2HD2  LEU  30          2HD2      LEU  30  13.404  -1.845  -1.846
   65   3HD2  LEU  30          3HD2      LEU  30  13.130  -1.911  -3.583
   66    H    LEU  31           H        LEU  31  12.028   2.926  -0.816
   67    HA   LEU  31           HA       LEU  31  13.822   4.875  -1.927
   68   1HB   LEU  31          2HB       LEU  31  11.835   5.121   0.407
   69   2HB   LEU  31          1HB       LEU  31  12.463   6.458  -0.526
   70    HG   LEU  31           HG       LEU  31  10.740   4.176  -1.683
   71   1HD1  LEU  31          1HD1      LEU  31   9.465   5.665  -0.136
   72   2HD1  LEU  31          2HD1      LEU  31   8.949   5.916  -1.795
   73   3HD1  LEU  31          3HD1      LEU  31  10.018   7.076  -1.020
   74   1HD2  LEU  31          1HD2      LEU  31  11.655   6.821  -2.923
   75   2HD2  LEU  31          2HD2      LEU  31  10.612   5.639  -3.689
   76   3HD2  LEU  31          3HD2      LEU  31  12.284   5.242  -3.362
   77    H    GLU  32           H        GLU  32  13.678   2.867   0.827
   78    HA   GLU  32           HA       GLU  32  15.935   4.342   2.161
   79   1HB   GLU  32          2HB       GLU  32  13.884   2.329   3.162
   80   2HB   GLU  32          1HB       GLU  32  15.393   2.430   4.016
   81   1HG   GLU  32          2HG       GLU  32  13.956   3.945   5.185
   82   2HG   GLU  32          1HG       GLU  32  14.928   5.010   4.188
   83    H    ARG  33           H        ARG  33  16.279   2.734  -0.267
   84    HA   ARG  33           HA       ARG  33  17.971   0.513   0.782
   85   1HB   ARG  33          2HB       ARG  33  16.661   1.065  -1.881
   86   2HB   ARG  33          1HB       ARG  33  18.061   0.058  -1.889
   87   1HG   ARG  33          2HG       ARG  33  15.696  -0.473  -0.106
   88   2HG   ARG  33          1HG       ARG  33  15.878  -1.179  -1.699
   89   1HD   ARG  33          2HD       ARG  33  18.262  -1.957  -0.744
   90   2HD   ARG  33          1HD       ARG  33  17.522  -1.655   0.817
   91    HE   ARG  33           HE       ARG  33  16.362  -3.454  -1.274
   92   1HH1  ARG  33          1HH2      ARG  33  17.032  -2.848   2.092
   93   2HH1  ARG  33          2HH2      ARG  33  16.329  -4.329   2.612
   94   1HH2  ARG  33          2HH1      ARG  33  15.427  -5.327  -0.616
   95   2HH2  ARG  33          1HH1      ARG  33  15.400  -5.771   1.032
   96    H    GLN  34           H        GLN  34  18.334   2.892  -1.813
   97    HA   GLN  34           HA       GLN  34  20.773   2.859  -2.719
   98   1HB   GLN  34          2HB       GLN  34  19.558   5.331  -1.417
   99   2HB   GLN  34          1HB       GLN  34  21.053   5.371  -2.341
  100   1HG   GLN  34          2HG       GLN  34  19.742   4.298  -4.287
  101   2HG   GLN  34          1HG       GLN  34  18.283   4.644  -3.376
  102   1HE2  GLN  34          1HE2      GLN  34  20.353   7.210  -2.583
  103   2HE2  GLN  34          2HE2      GLN  34  19.838   8.242  -3.828
  104    H    ARG  35           H        ARG  35  20.379   4.217   0.479
  105    HA   ARG  35           HA       ARG  35  23.021   3.154   1.196
  106   1HB   ARG  35          2HB       ARG  35  23.184   5.464   0.046
  107   2HB   ARG  35          1HB       ARG  35  22.450   6.121   1.501
  108   1HG   ARG  35          2HG       ARG  35  24.287   5.728   2.828
  109   2HG   ARG  35          1HG       ARG  35  24.835   4.350   1.882
  110   1HD   ARG  35          2HD       ARG  35  25.501   5.854   0.018
  111   2HD   ARG  35          1HD       ARG  35  24.842   7.220   0.933
  112    HE   ARG  35           HE       ARG  35  26.974   5.535   2.145
  113   1HH1  ARG  35          1HH2      ARG  35  26.028   8.554   0.748
  114   2HH1  ARG  35          2HH2      ARG  35  27.356   9.435   1.361
  115   1HH2  ARG  35          2HH1      ARG  35  28.763   6.620   2.943
  116   2HH2  ARG  35          1HH1      ARG  35  28.979   8.284   2.629
  117    H    TYR  36           H        TYR  36  20.607   2.366   2.152
  118    HA   TYR  36           HA       TYR  36  20.860   3.132   5.023
  119   1HB   TYR  36          2HB       TYR  36  18.551   3.634   3.256
  120   2HB   TYR  36          1HB       TYR  36  18.066   2.613   4.586
  121    HD1  TYR  36           HD1      TYR  36  19.089   3.398   6.980
  122    HD2  TYR  36           HD2      TYR  36  18.485   5.968   3.634
  123    HE1  TYR  36           HE1      TYR  36  19.054   5.343   8.472
  124    HE2  TYR  36           HE2      TYR  36  18.444   7.894   5.134
  125    HH   TYR  36           HH       TYR  36  19.392   8.457   7.455
  126   1HT   TYR  36          1HT       TYR  36  18.851   1.311   5.993
  127   2HT   TYR  36          2HT       TYR  36  19.388  -0.255   5.604
  Start of MODEL   14
    1    HN   AYA  24           H        ALA  24   0.836  -2.046  -0.331
    2    HA   AYA  24           HA       ALA  24   3.557  -1.163  -1.040
    3   1HB   AYA  24          1HB       ALA  24   1.636   0.424  -1.230
    4   2HB   AYA  24          2HB       ALA  24   2.792   1.009  -0.040
    5   3HB   AYA  24          3HB       ALA  24   1.311   0.235   0.488
    6   1HM   AYA  24          1HA       ALA  24   0.066  -3.954  -1.032
    7   2HM   AYA  24          2HA       ALA  24   1.235  -5.262  -0.854
    8   3HM   AYA  24          3HA       ALA  24   0.954  -4.543  -2.439
    9    H    ARG  25           H        ARG  25   4.009  -3.150   0.321
   10    HA   ARG  25           HA       ARG  25   4.650  -2.266   3.123
   11   1HB   ARG  25          2HB       ARG  25   3.208  -4.165   3.399
   12   2HB   ARG  25          1HB       ARG  25   3.898  -5.033   2.051
   13   1HG   ARG  25          2HG       ARG  25   4.602  -5.986   4.272
   14   2HG   ARG  25          1HG       ARG  25   5.966  -5.481   3.317
   15   1HD   ARG  25          2HD       ARG  25   6.650  -3.953   4.878
   16   2HD   ARG  25          1HD       ARG  25   5.051  -3.258   5.053
   17    HE   ARG  25           HE       ARG  25   4.439  -5.176   6.482
   18   1HH1  ARG  25          1HH2      ARG  25   7.821  -4.408   6.201
   19   2HH1  ARG  25          2HH2      ARG  25   8.239  -5.183   7.670
   20   1HH2  ARG  25          2HH1      ARG  25   4.943  -6.147   8.397
   21   2HH2  ARG  25          1HH1      ARG  25   6.551  -6.174   8.972
   22    H    HIS  26           H        HIS  26   5.722  -4.392   0.515
   23    HA   HIS  26           HA       HIS  26   8.504  -4.137   1.484
   24   1HB   HIS  26          2HB       HIS  26   7.331  -5.833  -0.774
   25   2HB   HIS  26          1HB       HIS  26   8.997  -5.886  -0.246
   26    HD1  HIS  26           HD1      HIS  26   5.586  -6.980   0.846
   27    HD2  HIS  26           HD2      HIS  26   9.517  -7.014   2.199
   28    HE1  HIS  26           HE1      HIS  26   5.761  -8.506   2.800
   29    H    TYR  27           H        TYR  27   7.326  -1.858   0.551
   30    HA   TYR  27           HA       TYR  27   8.634  -1.304  -2.098
   31   1HB   TYR  27          2HB       TYR  27   5.996  -0.901  -1.373
   32   2HB   TYR  27          1HB       TYR  27   6.655   0.648  -0.903
   33    HD1  TYR  27           HD1      TYR  27   8.435   1.570  -2.893
   34    HD2  TYR  27           HD2      TYR  27   5.021  -0.930  -3.443
   35    HE1  TYR  27           HE1      TYR  27   8.248   2.306  -5.228
   36    HE2  TYR  27           HE2      TYR  27   4.849  -0.198  -5.752
   37    HH   TYR  27           HH       TYR  27   5.527   1.388  -7.249
   38    H    LYS  28           H        LYS  28   7.849   0.093   0.994
   39    HA   LYS  28           HA       LYS  28   9.393   2.351   1.256
   40   1HB   LYS  28          2HB       LYS  28   7.844   1.371   2.978
   41   2HB   LYS  28          1HB       LYS  28   9.030   0.138   3.347
   42   1HG   LYS  28          2HG       LYS  28   9.396   1.736   5.012
   43   2HG   LYS  28          1HG       LYS  28  10.642   2.117   3.856
   44   1HD   LYS  28          2HD       LYS  28   8.960   3.843   2.855
   45   2HD   LYS  28          1HD       LYS  28   8.005   3.564   4.299
   46   1HE   LYS  28          2HE       LYS  28   9.442   5.382   4.879
   47   2HE   LYS  28          1HE       LYS  28  10.223   3.992   5.620
   48    HZ   LYS  28           HZ       LYS  28  11.017   5.248   3.030
   49    H    ASN  29           H        ASN  29  10.361  -0.807   2.116
   50    HA   ASN  29           HA       ASN  29  13.017  -0.567   2.704
   51   1HB   ASN  29          2HB       ASN  29  13.095  -3.136   1.954
   52   2HB   ASN  29          1HB       ASN  29  11.920  -2.711   3.194
   53   1HD2  ASN  29          1HD2      ASN  29  12.045  -4.338   0.145
   54   2HD2  ASN  29          2HD2      ASN  29  10.408  -4.118  -0.234
   55    H    LEU  30           H        LEU  30  11.836  -0.187  -0.205
   56    HA   LEU  30           HA       LEU  30  14.462  -0.619  -1.663
   57   1HB   LEU  30          2HB       LEU  30  12.869  -1.631  -3.058
   58   2HB   LEU  30          1HB       LEU  30  11.531  -0.743  -2.400
   59    HG   LEU  30           HG       LEU  30  12.209   1.248  -3.671
   60   1HD1  LEU  30          1HD1      LEU  30  14.284  -0.638  -4.936
   61   2HD1  LEU  30          2HD1      LEU  30  14.670   0.776  -3.968
   62   3HD1  LEU  30          3HD1      LEU  30  13.912   0.968  -5.536
   63   1HD2  LEU  30          1HD2      LEU  30  11.503   0.361  -5.912
   64   2HD2  LEU  30          2HD2      LEU  30  10.545  -0.297  -4.603
   65   3HD2  LEU  30          3HD2      LEU  30  11.806  -1.269  -5.346
   66    H    LEU  31           H        LEU  31  11.798   1.699  -1.405
   67    HA   LEU  31           HA       LEU  31  13.081   3.946  -2.491
   68   1HB   LEU  31          2HB       LEU  31  11.125   3.835  -0.145
   69   2HB   LEU  31          1HB       LEU  31  11.494   5.281  -1.063
   70    HG   LEU  31           HG       LEU  31  10.345   2.745  -2.346
   71   1HD1  LEU  31          1HD1      LEU  31   8.724   3.760  -0.738
   72   2HD1  LEU  31          2HD1      LEU  31   8.199   4.006  -2.393
   73   3HD1  LEU  31          3HD1      LEU  31   8.937   5.326  -1.509
   74   1HD2  LEU  31          1HD2      LEU  31  10.591   5.627  -3.359
   75   2HD2  LEU  31          2HD2      LEU  31   9.857   4.300  -4.234
   76   3HD2  LEU  31          3HD2      LEU  31  11.575   4.285  -3.932
   77    H    GLU  32           H        GLU  32  13.600   2.525   0.564
   78    HA   GLU  32           HA       GLU  32  15.342   4.797   1.437
   79   1HB   GLU  32          2HB       GLU  32  13.954   2.477   2.822
   80   2HB   GLU  32          1HB       GLU  32  15.147   3.416   3.683
   81   1HG   GLU  32          2HG       GLU  32  13.839   5.463   3.402
   82   2HG   GLU  32          1HG       GLU  32  12.861   4.772   2.123
   83    H    ARG  33           H        ARG  33  15.908   2.290  -0.379
   84    HA   ARG  33           HA       ARG  33  18.130   0.923   0.790
   85   1HB   ARG  33          2HB       ARG  33  17.241   1.436  -2.093
   86   2HB   ARG  33          1HB       ARG  33  18.521   0.317  -1.771
   87   1HG   ARG  33          2HG       ARG  33  15.903   0.049  -0.520
   88   2HG   ARG  33          1HG       ARG  33  16.389  -0.719  -2.037
   89   1HD   ARG  33          2HD       ARG  33  18.386  -1.728  -0.577
   90   2HD   ARG  33          1HD       ARG  33  17.438  -1.160   0.772
   91    HE   ARG  33           HE       ARG  33  15.608  -2.511   0.195
   92   1HH1  ARG  33          1HH2      ARG  33  18.384  -3.033  -1.786
   93   2HH1  ARG  33          2HH2      ARG  33  17.919  -4.585  -2.339
   94   1HH2  ARG  33          2HH1      ARG  33  14.932  -4.543  -0.511
   95   2HH2  ARG  33          1HH1      ARG  33  15.874  -5.460  -1.609
   96    H    GLN  34           H        GLN  34  18.184   3.454  -1.617
   97    HA   GLN  34           HA       GLN  34  20.591   4.163  -2.299
   98   1HB   GLN  34          2HB       GLN  34  18.314   5.527  -2.294
   99   2HB   GLN  34          1HB       GLN  34  19.003   6.342  -0.911
  100   1HG   GLN  34          2HG       GLN  34  20.443   6.225  -3.602
  101   2HG   GLN  34          1HG       GLN  34  19.364   7.528  -3.147
  102   1HE2  GLN  34          1HE2      GLN  34  22.455   7.428  -3.563
  103   2HE2  GLN  34          2HE2      GLN  34  23.015   8.154  -2.131
  104    H    ARG  35           H        ARG  35  19.774   4.505   1.074
  105    HA   ARG  35           HA       ARG  35  22.462   5.524   1.709
  106   1HB   ARG  35          2HB       ARG  35  20.016   5.281   3.500
  107   2HB   ARG  35          1HB       ARG  35  21.498   6.132   3.906
  108   1HG   ARG  35          2HG       ARG  35  21.105   7.742   2.060
  109   2HG   ARG  35          1HG       ARG  35  19.698   6.846   1.539
  110   1HD   ARG  35          2HD       ARG  35  18.953   8.767   2.875
  111   2HD   ARG  35          1HD       ARG  35  18.594   7.275   3.727
  112    HE   ARG  35           HE       ARG  35  21.078   8.869   4.256
  113   1HH1  ARG  35          1HH2      ARG  35  18.242   7.299   5.497
  114   2HH1  ARG  35          2HH2      ARG  35  18.661   7.524   7.140
  115   1HH2  ARG  35          2HH1      ARG  35  21.652   9.214   6.370
  116   2HH2  ARG  35          1HH1      ARG  35  20.676   8.644   7.652
  117    H    TYR  36           H        TYR  36  20.241   3.054   2.608
  118    HA   TYR  36           HA       TYR  36  22.430   1.382   3.800
  119   1HB   TYR  36          2HB       TYR  36  20.586   2.364   5.395
  120   2HB   TYR  36          1HB       TYR  36  19.491   1.227   4.626
  121    HD1  TYR  36           HD1      TYR  36  20.362  -1.324   4.554
  122    HD2  TYR  36           HD2      TYR  36  21.832   1.641   7.248
  123    HE1  TYR  36           HE1      TYR  36  21.196  -3.073   6.047
  124    HE2  TYR  36           HE2      TYR  36  22.656  -0.121   8.726
  125    HH   TYR  36           HH       TYR  36  22.115  -2.553   9.201
  126   1HT   TYR  36          1HT       TYR  36  22.619   0.707   1.505
  127   2HT   TYR  36          2HT       TYR  36  21.521  -0.436   0.873
  Start of MODEL   15
    1    HN   AYA  24           H        ALA  24   1.860  -1.001   1.308
    2    HA   AYA  24           HA       ALA  24   4.367  -1.042  -0.098
    3   1HB   AYA  24          1HB       ALA  24   5.044   0.695   1.588
    4   2HB   AYA  24          2HB       ALA  24   3.601   0.340   2.513
    5   3HB   AYA  24          3HB       ALA  24   3.463   1.042   0.908
    6   1HM   AYA  24          1HA       ALA  24   0.549  -3.929   0.656
    7   2HM   AYA  24          2HA       ALA  24   0.340  -2.985  -0.814
    8   3HM   AYA  24          3HA       ALA  24   0.139  -2.219   0.760
    9    H    ARG  25           H        ARG  25   4.595  -3.464   0.396
   10    HA   ARG  25           HA       ARG  25   5.988  -3.960   2.981
   11   1HB   ARG  25          2HB       ARG  25   4.860  -5.820   0.832
   12   2HB   ARG  25          1HB       ARG  25   6.065  -6.405   1.942
   13   1HG   ARG  25          2HG       ARG  25   3.963  -6.946   2.915
   14   2HG   ARG  25          1HG       ARG  25   4.635  -5.651   3.871
   15   1HD   ARG  25          2HD       ARG  25   2.334  -4.985   3.559
   16   2HD   ARG  25          1HD       ARG  25   3.225  -4.051   2.409
   17    HE   ARG  25           HE       ARG  25   2.517  -5.426   0.607
   18   1HH1  ARG  25          1HH2      ARG  25   1.229  -6.380   3.680
   19   2HH1  ARG  25          2HH2      ARG  25  -0.059  -7.312   3.055
   20   1HH2  ARG  25          2HH1      ARG  25   0.851  -6.679  -0.295
   21   2HH2  ARG  25          1HH1      ARG  25  -0.255  -7.508   0.719
   22    H    HIS  26           H        HIS  26   6.601  -4.094  -0.505
   23    HA   HIS  26           HA       HIS  26   9.519  -4.180   0.186
   24   1HB   HIS  26          2HB       HIS  26   8.448  -6.312  -0.927
   25   2HB   HIS  26          1HB       HIS  26   8.312  -5.321  -2.368
   26    HD1  HIS  26           HD1      HIS  26  10.099  -7.708  -2.559
   27    HD2  HIS  26           HD2      HIS  26  11.458  -3.977  -1.315
   28    HE1  HIS  26           HE1      HIS  26  12.562  -7.569  -2.928
   29    H    TYR  27           H        TYR  27   7.930  -1.886  -0.023
   30    HA   TYR  27           HA       TYR  27   8.981  -0.666  -2.573
   31   1HB   TYR  27          2HB       TYR  27   6.360  -0.840  -2.184
   32   2HB   TYR  27          1HB       TYR  27   6.588   0.466  -1.041
   33    HD1  TYR  27           HD1      TYR  27   7.550  -0.467  -4.545
   34    HD2  TYR  27           HD2      TYR  27   6.462   2.681  -1.875
   35    HE1  TYR  27           HE1      TYR  27   7.571   1.114  -6.404
   36    HE2  TYR  27           HE2      TYR  27   6.478   4.258  -3.752
   37    HH   TYR  27           HH       TYR  27   7.162   3.267  -7.059
   38    H    LYS  28           H        LYS  28   7.834   0.326   0.603
   39    HA   LYS  28           HA       LYS  28   9.289   2.662   0.953
   40   1HB   LYS  28          2HB       LYS  28   7.588   1.648   2.617
   41   2HB   LYS  28          1HB       LYS  28   8.847   0.554   3.151
   42   1HG   LYS  28          2HG       LYS  28   8.884   2.370   4.683
   43   2HG   LYS  28          1HG       LYS  28  10.263   2.660   3.645
   44   1HD   LYS  28          2HD       LYS  28   8.552   4.115   2.214
   45   2HD   LYS  28          1HD       LYS  28   7.566   4.031   3.656
   46   1HE   LYS  28          2HE       LYS  28   8.911   6.030   3.793
   47   2HE   LYS  28          1HE       LYS  28   9.539   4.875   4.969
   48    HZ   LYS  28           HZ       LYS  28  10.728   5.181   2.232
   49    H    ASN  29           H        ASN  29  10.196  -0.537   1.861
   50    HA   ASN  29           HA       ASN  29  12.850   0.040   2.664
   51   1HB   ASN  29          2HB       ASN  29  11.814  -2.662   1.669
   52   2HB   ASN  29          1HB       ASN  29  13.137  -2.417   2.793
   53   1HD2  ASN  29          1HD2      ASN  29  12.515  -2.636   4.990
   54   2HD2  ASN  29          2HD2      ASN  29  10.913  -2.409   5.522
   55    H    LEU  30           H        LEU  30  11.837   0.286  -0.267
   56    HA   LEU  30           HA       LEU  30  14.356  -0.648  -1.570
   57   1HB   LEU  30          2HB       LEU  30  12.648  -1.470  -2.962
   58   2HB   LEU  30          1HB       LEU  30  11.473  -0.315  -2.451
   59    HG   LEU  30           HG       LEU  30  12.545   1.415  -3.798
   60   1HD1  LEU  30          1HD1      LEU  30  14.272   0.711  -5.523
   61   2HD1  LEU  30          2HD1      LEU  30  14.277  -0.904  -4.833
   62   3HD1  LEU  30          3HD1      LEU  30  14.884   0.458  -3.906
   63   1HD2  LEU  30          1HD2      LEU  30  11.778  -1.131  -5.303
   64   2HD2  LEU  30          2HD2      LEU  30  11.815   0.475  -6.022
   65   3HD2  LEU  30          3HD2      LEU  30  10.679   0.119  -4.725
   66    H    LEU  31           H        LEU  31  12.064   2.035  -1.583
   67    HA   LEU  31           HA       LEU  31  13.786   4.065  -2.577
   68   1HB   LEU  31          2HB       LEU  31  11.550   4.400  -0.537
   69   2HB   LEU  31          1HB       LEU  31  12.170   5.648  -1.607
   70    HG   LEU  31           HG       LEU  31  10.793   3.074  -2.582
   71   1HD1  LEU  31          1HD1      LEU  31   9.734   5.911  -2.380
   72   2HD1  LEU  31          2HD1      LEU  31   9.224   4.553  -1.397
   73   3HD1  LEU  31          3HD1      LEU  31   8.898   4.556  -3.119
   74   1HD2  LEU  31          1HD2      LEU  31  11.605   5.603  -4.103
   75   2HD2  LEU  31          2HD2      LEU  31  10.743   4.237  -4.778
   76   3HD2  LEU  31          3HD2      LEU  31  12.407   4.053  -4.252
   77    H    GLU  32           H        GLU  32  13.307   2.873   0.617
   78    HA   GLU  32           HA       GLU  32  15.382   4.735   1.717
   79   1HB   GLU  32          2HB       GLU  32  13.291   2.928   3.039
   80   2HB   GLU  32          1HB       GLU  32  14.526   3.790   3.945
   81   1HG   GLU  32          2HG       GLU  32  13.705   5.912   3.333
   82   2HG   GLU  32          1HG       GLU  32  12.800   5.307   1.966
   83    H    ARG  33           H        ARG  33  15.760   2.314   0.009
   84    HA   ARG  33           HA       ARG  33  17.482   0.632   1.796
   85   1HB   ARG  33          2HB       ARG  33  17.233  -1.104   0.225
   86   2HB   ARG  33          1HB       ARG  33  15.850  -0.157  -0.224
   87   1HG   ARG  33          2HG       ARG  33  16.792  -0.854  -2.230
   88   2HG   ARG  33          1HG       ARG  33  17.031   0.856  -2.164
   89   1HD   ARG  33          2HD       ARG  33  19.437   0.509  -1.519
   90   2HD   ARG  33          1HD       ARG  33  19.231  -1.207  -1.508
   91    HE   ARG  33           HE       ARG  33  19.136   0.636  -3.848
   92   1HH1  ARG  33          1HH2      ARG  33  18.966  -2.594  -2.663
   93   2HH1  ARG  33          2HH2      ARG  33  19.392  -3.347  -4.148
   94   1HH2  ARG  33          2HH1      ARG  33  19.547  -0.277  -5.876
   95   2HH2  ARG  33          1HH1      ARG  33  19.659  -1.972  -6.049
   96    H    GLN  34           H        GLN  34  17.279   2.512  -1.045
   97    HA   GLN  34           HA       GLN  34  19.560   2.859  -2.349
   98   1HB   GLN  34          2HB       GLN  34  17.620   4.544  -2.307
   99   2HB   GLN  34          1HB       GLN  34  18.348   5.301  -0.918
  100   1HG   GLN  34          2HG       GLN  34  20.414   5.768  -2.271
  101   2HG   GLN  34          1HG       GLN  34  19.620   5.075  -3.683
  102   1HE2  GLN  34          1HE2      GLN  34  18.277   6.539  -4.851
  103   2HE2  GLN  34          2HE2      GLN  34  17.781   8.040  -4.230
  104    H    ARG  35           H        ARG  35  19.231   4.480   0.712
  105    HA   ARG  35           HA       ARG  35  21.459   3.552   2.092
  106   1HB   ARG  35          2HB       ARG  35  22.660   4.871   0.027
  107   2HB   ARG  35          1HB       ARG  35  22.174   6.281   0.951
  108   1HG   ARG  35          2HG       ARG  35  23.361   5.330   2.958
  109   2HG   ARG  35          1HG       ARG  35  23.904   3.985   1.976
  110   1HD   ARG  35          2HD       ARG  35  25.709   5.765   1.999
  111   2HD   ARG  35          1HD       ARG  35  25.027   5.521   0.411
  112    HE   ARG  35           HE       ARG  35  23.967   7.594   0.499
  113   1HH1  ARG  35          1HH2      ARG  35  25.183   6.689   3.560
  114   2HH1  ARG  35          2HH2      ARG  35  24.957   8.207   4.322
  115   1HH2  ARG  35          2HH1      ARG  35  23.603   9.636   1.379
  116   2HH2  ARG  35          1HH1      ARG  35  23.974   9.943   3.021
  117    H    TYR  36           H        TYR  36  18.830   4.268   2.663
  118    HA   TYR  36           HA       TYR  36  19.334   6.417   4.645
  119   1HB   TYR  36          2HB       TYR  36  18.288   7.359   2.415
  120   2HB   TYR  36          1HB       TYR  36  16.798   6.593   2.961
  121    HD1  TYR  36           HD1      TYR  36  15.913   7.206   5.324
  122    HD2  TYR  36           HD2      TYR  36  19.058   9.366   3.423
  123    HE1  TYR  36           HE1      TYR  36  15.594   9.049   6.885
  124    HE2  TYR  36           HE2      TYR  36  18.730  11.219   5.000
  125    HH   TYR  36           HH       TYR  36  16.064  11.339   7.189
  126   1HT   TYR  36          1HT       TYR  36  19.278   4.442   6.026
  127   2HT   TYR  36          2HT       TYR  36  17.758   3.844   6.493
  Start of MODEL   16
    1    HN   AYA  24           H        ALA  24   3.376   0.058   2.752
    2    HA   AYA  24           HA       ALA  24   3.159  -1.140   0.061
    3   1HB   AYA  24          1HB       ALA  24   4.822   0.551  -0.545
    4   2HB   AYA  24          2HB       ALA  24   5.100   0.964   1.148
    5   3HB   AYA  24          3HB       ALA  24   3.558   1.317   0.378
    6   1HM   AYA  24          1HA       ALA  24   0.435  -1.048   3.621
    7   2HM   AYA  24          2HA       ALA  24   1.935  -0.423   4.305
    8   3HM   AYA  24          3HA       ALA  24   1.579  -2.151   4.381
    9    H    ARG  25           H        ARG  25   3.591  -3.012   1.584
   10    HA   ARG  25           HA       ARG  25   5.509  -4.225   2.766
   11   1HB   ARG  25          2HB       ARG  25   4.239  -5.240   0.200
   12   2HB   ARG  25          1HB       ARG  25   5.225  -6.273   1.222
   13   1HG   ARG  25          2HG       ARG  25   3.757  -5.806   3.174
   14   2HG   ARG  25          1HG       ARG  25   2.771  -4.728   2.210
   15   1HD   ARG  25          2HD       ARG  25   3.178  -7.667   1.553
   16   2HD   ARG  25          1HD       ARG  25   1.834  -7.107   2.495
   17    HE   ARG  25           HE       ARG  25   2.419  -6.434  -0.371
   18   1HH1  ARG  25          1HH2      ARG  25   0.205  -6.441   2.296
   19   2HH1  ARG  25          2HH2      ARG  25  -1.167  -6.072   1.355
   20   1HH2  ARG  25          2HH1      ARG  25   0.632  -5.920  -1.654
   21   2HH2  ARG  25          1HH1      ARG  25  -0.912  -5.752  -0.942
   22    H    HIS  26           H        HIS  26   6.136  -3.884  -0.726
   23    HA   HIS  26           HA       HIS  26   9.035  -4.135  -0.020
   24   1HB   HIS  26          2HB       HIS  26   7.936  -6.207  -1.156
   25   2HB   HIS  26          1HB       HIS  26   7.822  -5.215  -2.606
   26    HD1  HIS  26           HD1      HIS  26  10.271  -3.957  -3.039
   27    HD2  HIS  26           HD2      HIS  26  10.198  -7.634  -1.114
   28    HE1  HIS  26           HE1      HIS  26  12.558  -5.030  -3.224
   29    H    TYR  27           H        TYR  27   7.905  -1.727  -0.088
   30    HA   TYR  27           HA       TYR  27   8.934  -0.514  -2.649
   31   1HB   TYR  27          2HB       TYR  27   6.312  -0.533  -2.095
   32   2HB   TYR  27          1HB       TYR  27   6.752   0.738  -0.969
   33    HD1  TYR  27           HD1      TYR  27   7.426   2.962  -1.761
   34    HD2  TYR  27           HD2      TYR  27   6.549  -0.166  -4.516
   35    HE1  TYR  27           HE1      TYR  27   7.323   4.586  -3.600
   36    HE2  TYR  27           HE2      TYR  27   6.463   1.474  -6.338
   37    HH   TYR  27           HH       TYR  27   5.990   4.018  -6.535
   38    H    LYS  28           H        LYS  28   7.978   0.252   0.623
   39    HA   LYS  28           HA       LYS  28   9.559   2.467   1.214
   40   1HB   LYS  28          2HB       LYS  28   7.795   1.312   2.719
   41   2HB   LYS  28          1HB       LYS  28   9.026   0.152   3.166
   42   1HG   LYS  28          2HG       LYS  28   9.170   1.752   4.880
   43   2HG   LYS  28          1HG       LYS  28  10.475   2.222   3.819
   44   1HD   LYS  28          2HD       LYS  28   8.608   3.761   2.671
   45   2HD   LYS  28          1HD       LYS  28   7.754   3.482   4.174
   46   1HE   LYS  28          2HE       LYS  28   9.094   5.508   4.386
   47   2HE   LYS  28          1HE       LYS  28   9.812   4.269   5.416
   48    HZ   LYS  28           HZ       LYS  28  10.778   4.835   2.641
   49    H    ASN  29           H        ASN  29  10.247  -0.827   1.776
   50    HA   ASN  29           HA       ASN  29  12.902  -0.688   2.634
   51   1HB   ASN  29          2HB       ASN  29  12.923  -3.177   2.264
   52   2HB   ASN  29          1HB       ASN  29  11.314  -2.747   2.848
   53   1HD2  ASN  29          1HD2      ASN  29  12.301  -4.918   0.746
   54   2HD2  ASN  29          2HD2      ASN  29  11.264  -4.608  -0.562
   55    H    LEU  30           H        LEU  30  11.868  -0.069  -0.277
   56    HA   LEU  30           HA       LEU  30  14.429  -0.803  -1.609
   57   1HB   LEU  30          2HB       LEU  30  12.784  -1.548  -3.092
   58   2HB   LEU  30          1HB       LEU  30  11.570  -0.460  -2.497
   59    HG   LEU  30           HG       LEU  30  12.629   1.394  -3.680
   60   1HD1  LEU  30          1HD1      LEU  30  14.387   0.886  -5.445
   61   2HD1  LEU  30          2HD1      LEU  30  14.433  -0.782  -4.907
   62   3HD1  LEU  30          3HD1      LEU  30  15.001   0.503  -3.856
   63   1HD2  LEU  30          1HD2      LEU  30  11.963   0.661  -5.980
   64   2HD2  LEU  30          2HD2      LEU  30  10.811   0.154  -4.753
   65   3HD2  LEU  30          3HD2      LEU  30  11.950  -1.005  -5.426
   66    H    LEU  31           H        LEU  31  12.085   1.834  -1.526
   67    HA   LEU  31           HA       LEU  31  13.755   3.925  -2.387
   68   1HB   LEU  31          2HB       LEU  31  11.451   3.944  -0.397
   69   2HB   LEU  31          1HB       LEU  31  12.213   5.426  -0.935
   70    HG   LEU  31           HG       LEU  31  10.860   3.385  -2.773
   71   1HD1  LEU  31          1HD1      LEU  31  10.008   6.155  -1.813
   72   2HD1  LEU  31          2HD1      LEU  31   9.252   4.635  -1.356
   73   3HD1  LEU  31          3HD1      LEU  31   9.165   5.208  -3.016
   74   1HD2  LEU  31          1HD2      LEU  31  11.137   5.150  -4.513
   75   2HD2  LEU  31          2HD2      LEU  31  12.713   4.674  -3.938
   76   3HD2  LEU  31          3HD2      LEU  31  11.990   6.174  -3.380
   77    H    GLU  32           H        GLU  32  13.502   2.544   0.720
   78    HA   GLU  32           HA       GLU  32  15.486   4.485   1.830
   79   1HB   GLU  32          2HB       GLU  32  13.570   2.489   3.117
   80   2HB   GLU  32          1HB       GLU  32  14.730   3.406   4.049
   81   1HG   GLU  32          2HG       GLU  32  13.713   5.521   3.351
   82   2HG   GLU  32          1HG       GLU  32  12.738   4.730   2.129
   83    H    ARG  33           H        ARG  33  16.023   1.985   0.063
   84    HA   ARG  33           HA       ARG  33  17.927   0.607   1.905
   85   1HB   ARG  33          2HB       ARG  33  17.880  -1.254   0.398
   86   2HB   ARG  33          1HB       ARG  33  16.267  -0.643   0.390
   87   1HG   ARG  33          2HG       ARG  33  16.448  -0.793  -1.908
   88   2HG   ARG  33          1HG       ARG  33  17.181   0.771  -1.746
   89   1HD   ARG  33          2HD       ARG  33  18.741  -0.419  -3.046
   90   2HD   ARG  33          1HD       ARG  33  19.455  -0.572  -1.449
   91    HE   ARG  33           HE       ARG  33  18.160  -2.764  -1.274
   92   1HH1  ARG  33          1HH2      ARG  33  19.219  -1.518  -4.332
   93   2HH1  ARG  33          2HH2      ARG  33  19.328  -3.043  -5.095
   94   1HH2  ARG  33          2HH1      ARG  33  18.205  -4.784  -2.236
   95   2HH2  ARG  33          1HH1      ARG  33  18.711  -4.961  -3.857
   96    H    GLN  34           H        GLN  34  17.902   2.710  -0.798
   97    HA   GLN  34           HA       GLN  34  20.836   2.339  -1.245
   98   1HB   GLN  34          2HB       GLN  34  18.856   4.211  -2.671
   99   2HB   GLN  34          1HB       GLN  34  20.532   3.929  -3.131
  100   1HG   GLN  34          2HG       GLN  34  20.045   1.501  -3.458
  101   2HG   GLN  34          1HG       GLN  34  18.364   1.789  -3.039
  102   1HE2  GLN  34          1HE2      GLN  34  19.049   4.515  -4.780
  103   2HE2  GLN  34          2HE2      GLN  34  18.642   3.899  -6.309
  104    H    ARG  35           H        ARG  35  18.559   4.469   0.182
  105    HA   ARG  35           HA       ARG  35  20.727   6.297   1.025
  106   1HB   ARG  35          2HB       ARG  35  17.723   6.835   0.686
  107   2HB   ARG  35          1HB       ARG  35  18.857   7.975   1.375
  108   1HG   ARG  35          2HG       ARG  35  20.122   8.089  -0.752
  109   2HG   ARG  35          1HG       ARG  35  19.098   6.851  -1.453
  110   1HD   ARG  35          2HD       ARG  35  18.389   9.117  -2.211
  111   2HD   ARG  35          1HD       ARG  35  17.120   8.339  -1.298
  112    HE   ARG  35           HE       ARG  35  17.777   9.665   0.684
  113   1HH1  ARG  35          1HH2      ARG  35  18.879  10.829  -2.408
  114   2HH1  ARG  35          2HH2      ARG  35  19.083  12.437  -1.874
  115   1HH2  ARG  35          2HH1      ARG  35  18.015  11.748   1.402
  116   2HH2  ARG  35          1HH1      ARG  35  18.561  12.974   0.349
  117    H    TYR  36           H        TYR  36  20.717   4.135   2.448
  118    HA   TYR  36           HA       TYR  36  19.730   3.004   4.388
  119   1HB   TYR  36          2HB       TYR  36  21.678   5.243   4.948
  120   2HB   TYR  36          1HB       TYR  36  21.086   4.287   6.282
  121    HD1  TYR  36           HD1      TYR  36  21.142   1.658   5.887
  122    HD2  TYR  36           HD2      TYR  36  23.639   4.439   3.849
  123    HE1  TYR  36           HE1      TYR  36  22.748  -0.120   5.421
  124    HE2  TYR  36           HE2      TYR  36  25.240   2.655   3.389
  125    HH   TYR  36           HH       TYR  36  25.416   0.286   3.289
  126   1HT   TYR  36          1HT       TYR  36  17.363   3.729   4.248
  127   2HT   TYR  36          2HT       TYR  36  16.823   4.732   5.517
  Start of MODEL   17
    1    HN   AYA  24           H        ALA  24  -0.152  -3.048   0.950
    2    HA   AYA  24           HA       ALA  24   2.239  -1.730  -0.120
    3   1HB   AYA  24          1HB       ALA  24   0.172  -0.434   0.488
    4   2HB   AYA  24          2HB       ALA  24   1.546   0.108   1.439
    5   3HB   AYA  24          3HB       ALA  24   0.350  -0.947   2.163
    6   1HM   AYA  24          1HA       ALA  24  -0.872  -4.931   0.141
    7   2HM   AYA  24          2HA       ALA  24   0.420  -6.127   0.012
    8   3HM   AYA  24          3HA       ALA  24  -0.167  -5.303  -1.432
    9    H    ARG  25           H        ARG  25   3.464  -3.656   0.565
   10    HA   ARG  25           HA       ARG  25   4.601  -3.241   3.308
   11   1HB   ARG  25          2HB       ARG  25   5.050  -5.723   3.373
   12   2HB   ARG  25          1HB       ARG  25   3.359  -5.282   3.346
   13   1HG   ARG  25          2HG       ARG  25   3.220  -5.830   0.903
   14   2HG   ARG  25          1HG       ARG  25   4.926  -6.228   0.881
   15   1HD   ARG  25          2HD       ARG  25   3.631  -8.286   1.036
   16   2HD   ARG  25          1HD       ARG  25   4.587  -8.068   2.479
   17    HE   ARG  25           HE       ARG  25   2.588  -7.188   3.629
   18   1HH1  ARG  25          1HH2      ARG  25   2.060  -9.062   0.748
   19   2HH1  ARG  25          2HH2      ARG  25   0.476  -9.529   1.179
   20   1HH2  ARG  25          2HH1      ARG  25   0.532  -7.756   4.214
   21   2HH2  ARG  25          1HH1      ARG  25  -0.418  -8.751   3.203
   22    H    HIS  26           H        HIS  26   5.496  -4.584   0.135
   23    HA   HIS  26           HA       HIS  26   8.346  -3.950   0.760
   24   1HB   HIS  26          2HB       HIS  26   7.816  -6.327   0.302
   25   2HB   HIS  26          1HB       HIS  26   7.169  -5.889  -1.273
   26    HD1  HIS  26           HD1      HIS  26   9.068  -4.483  -2.740
   27    HD2  HIS  26           HD2      HIS  26  10.355  -7.131   0.196
   28    HE1  HIS  26           HE1      HIS  26  11.460  -5.130  -3.200
   29    H    TYR  27           H        TYR  27   7.946  -1.779   0.271
   30    HA   TYR  27           HA       TYR  27   8.497  -1.079  -2.556
   31   1HB   TYR  27          2HB       TYR  27   5.962  -0.844  -2.174
   32   2HB   TYR  27          1HB       TYR  27   6.262   0.373  -0.957
   33    HD1  TYR  27           HD1      TYR  27   8.059   2.311  -1.872
   34    HD2  TYR  27           HD2      TYR  27   5.496  -0.078  -4.319
   35    HE1  TYR  27           HE1      TYR  27   8.215   3.954  -3.666
   36    HE2  TYR  27           HE2      TYR  27   5.666   1.590  -6.101
   37    HH   TYR  27           HH       TYR  27   7.575   3.404  -6.696
   38    H    LYS  28           H        LYS  28   7.673   0.412   0.493
   39    HA   LYS  28           HA       LYS  28   9.316   2.583   0.582
   40   1HB   LYS  28          2HB       LYS  28   7.613   1.999   2.285
   41   2HB   LYS  28          1HB       LYS  28   8.581   0.661   2.848
   42   1HG   LYS  28          2HG       LYS  28   8.621   2.538   4.409
   43   2HG   LYS  28          1HG       LYS  28  10.219   2.207   3.820
   44   1HD   LYS  28          2HD       LYS  28   8.442   4.365   2.588
   45   2HD   LYS  28          1HD       LYS  28   9.408   4.690   4.008
   46   1HE   LYS  28          2HE       LYS  28  10.510   3.830   1.285
   47   2HE   LYS  28          1HE       LYS  28  10.660   5.383   2.062
   48    HZ   LYS  28           HZ       LYS  28  11.731   2.933   3.388
   49    H    ASN  29           H        ASN  29  10.108  -0.603   1.731
   50    HA   ASN  29           HA       ASN  29  12.719  -0.302   2.562
   51   1HB   ASN  29          2HB       ASN  29  12.933  -2.830   2.024
   52   2HB   ASN  29          1HB       ASN  29  11.496  -2.422   2.951
   53   1HD2  ASN  29          1HD2      ASN  29  12.374  -4.303   0.315
   54   2HD2  ASN  29          2HD2      ASN  29  10.900  -4.234  -0.509
   55    H    LEU  30           H        LEU  30  11.974   0.307  -0.392
   56    HA   LEU  30           HA       LEU  30  14.612  -0.398  -1.699
   57   1HB   LEU  30          2HB       LEU  30  12.151   0.842  -3.011
   58   2HB   LEU  30          1HB       LEU  30  13.461  -0.026  -3.793
   59    HG   LEU  30           HG       LEU  30  11.570  -1.214  -1.753
   60   1HD1  LEU  30          1HD1      LEU  30  10.535  -2.364  -3.729
   61   2HD1  LEU  30          2HD1      LEU  30  11.605  -1.457  -4.795
   62   3HD1  LEU  30          3HD1      LEU  30  10.400  -0.615  -3.836
   63   1HD2  LEU  30          1HD2      LEU  30  12.497  -3.402  -2.548
   64   2HD2  LEU  30          2HD2      LEU  30  13.750  -2.401  -1.860
   65   3HD2  LEU  30          3HD2      LEU  30  13.608  -2.539  -3.604
   66    H    LEU  31           H        LEU  31  12.296   2.220  -1.359
   67    HA   LEU  31           HA       LEU  31  14.001   4.351  -2.165
   68   1HB   LEU  31          2HB       LEU  31  11.902   4.370   0.036
   69   2HB   LEU  31          1HB       LEU  31  12.532   5.798  -0.734
   70    HG   LEU  31           HG       LEU  31  10.890   3.610  -2.144
   71   1HD1  LEU  31          1HD1      LEU  31  10.247   6.500  -1.350
   72   2HD1  LEU  31          2HD1      LEU  31   9.576   5.077  -0.583
   73   3HD1  LEU  31          3HD1      LEU  31   9.166   5.450  -2.247
   74   1HD2  LEU  31          1HD2      LEU  31  10.908   5.196  -4.077
   75   2HD2  LEU  31          2HD2      LEU  31  12.542   4.718  -3.696
   76   3HD2  LEU  31          3HD2      LEU  31  11.953   6.293  -3.191
   77    H    GLU  32           H        GLU  32  13.674   2.478   0.688
   78    HA   GLU  32           HA       GLU  32  15.691   4.174   2.123
   79   1HB   GLU  32          2HB       GLU  32  13.778   1.996   2.947
   80   2HB   GLU  32          1HB       GLU  32  15.231   2.182   3.921
   81   1HG   GLU  32          2HG       GLU  32  13.509   3.581   4.900
   82   2HG   GLU  32          1HG       GLU  32  14.686   4.646   4.172
   83    H    ARG  33           H        ARG  33  16.535   2.699  -0.172
   84    HA   ARG  33           HA       ARG  33  18.574   0.809   0.964
   85   1HB   ARG  33          2HB       ARG  33  17.518   1.226  -1.869
   86   2HB   ARG  33          1HB       ARG  33  18.697   0.021  -1.479
   87   1HG   ARG  33          2HG       ARG  33  15.949   0.101  -0.328
   88   2HG   ARG  33          1HG       ARG  33  16.515  -0.993  -1.579
   89   1HD   ARG  33          2HD       ARG  33  16.603  -2.312   0.300
   90   2HD   ARG  33          1HD       ARG  33  18.268  -1.745   0.284
   91    HE   ARG  33           HE       ARG  33  17.465   0.077   1.928
   92   1HH1  ARG  33          1HH2      ARG  33  15.844  -2.959   1.775
   93   2HH1  ARG  33          2HH2      ARG  33  15.341  -2.916   3.408
   94   1HH2  ARG  33          2HH1      ARG  33  16.793   0.252   3.925
   95   2HH2  ARG  33          1HH1      ARG  33  15.852  -0.992   4.678
   96    H    GLN  34           H        GLN  34  18.604   3.152  -1.631
   97    HA   GLN  34           HA       GLN  34  21.059   3.696  -2.359
   98   1HB   GLN  34          2HB       GLN  34  19.363   5.956  -1.147
   99   2HB   GLN  34          1HB       GLN  34  20.630   6.138  -2.339
  100   1HG   GLN  34          2HG       GLN  34  19.338   5.205  -4.079
  101   2HG   GLN  34          1HG       GLN  34  18.230   4.377  -2.999
  102   1HE2  GLN  34          1HE2      GLN  34  16.282   5.470  -2.623
  103   2HE2  GLN  34          2HE2      GLN  34  16.072   7.131  -2.897
  104    H    ARG  35           H        ARG  35  20.036   5.216   0.587
  105    HA   ARG  35           HA       ARG  35  22.610   4.657   1.896
  106   1HB   ARG  35          2HB       ARG  35  22.692   6.970   0.656
  107   2HB   ARG  35          1HB       ARG  35  21.495   7.526   1.816
  108   1HG   ARG  35          2HG       ARG  35  23.060   7.012   3.698
  109   2HG   ARG  35          1HG       ARG  35  24.241   6.392   2.557
  110   1HD   ARG  35          2HD       ARG  35  24.388   8.656   1.490
  111   2HD   ARG  35          1HD       ARG  35  23.253   9.288   2.669
  112    HE   ARG  35           HE       ARG  35  24.888   8.597   4.448
  113   1HH1  ARG  35          1HH2      ARG  35  26.074   9.303   1.255
  114   2HH1  ARG  35          2HH2      ARG  35  27.650   9.700   1.779
  115   1HH2  ARG  35          2HH1      ARG  35  26.909   9.106   5.164
  116   2HH2  ARG  35          1HH1      ARG  35  28.140   9.587   4.077
  117    H    TYR  36           H        TYR  36  20.404   3.376   2.368
  118    HA   TYR  36           HA       TYR  36  18.967   2.644   4.051
  119   1HB   TYR  36          2HB       TYR  36  20.661   2.909   5.702
  120   2HB   TYR  36          1HB       TYR  36  20.664   4.645   5.589
  121    HD1  TYR  36           HD1      TYR  36  19.222   5.995   6.886
  122    HD2  TYR  36           HD2      TYR  36  18.705   1.765   6.925
  123    HE1  TYR  36           HE1      TYR  36  17.713   6.203   8.791
  124    HE2  TYR  36           HE2      TYR  36  17.183   1.982   8.844
  125    HH   TYR  36           HH       TYR  36  15.927   4.971   9.907
  126   1HT   TYR  36          1HT       TYR  36  18.940   6.240   4.232
  127   2HT   TYR  36          2HT       TYR  36  17.242   6.355   4.278
  Start of MODEL   18
    1    HN   AYA  24           H        ALA  24   2.216   0.491   0.990
    2    HA   AYA  24           HA       ALA  24   5.080   0.210   0.515
    3   1HB   AYA  24          1HB       ALA  24   4.155   2.187   1.729
    4   2HB   AYA  24          2HB       ALA  24   5.272   1.299   2.754
    5   3HB   AYA  24          3HB       ALA  24   3.550   1.119   2.992
    6   1HM   AYA  24          1HA       ALA  24   1.486  -0.154  -2.125
    7   2HM   AYA  24          2HA       ALA  24   0.753  -0.064  -0.525
    8   3HM   AYA  24          3HA       ALA  24   1.084  -1.638  -1.264
    9    H    ARG  25           H        ARG  25   4.642  -2.144   0.243
   10    HA   ARG  25           HA       ARG  25   4.777  -3.630   2.850
   11   1HB   ARG  25          2HB       ARG  25   4.242  -4.668  -0.002
   12   2HB   ARG  25          1HB       ARG  25   4.175  -5.629   1.465
   13   1HG   ARG  25          2HG       ARG  25   2.269  -4.360   2.297
   14   2HG   ARG  25          1HG       ARG  25   2.426  -3.159   1.029
   15   1HD   ARG  25          2HD       ARG  25   1.917  -4.928  -0.694
   16   2HD   ARG  25          1HD       ARG  25   1.738  -6.082   0.627
   17    HE   ARG  25           HE       ARG  25   0.090  -3.588   0.525
   18   1HH1  ARG  25          1HH2      ARG  25   0.245  -7.042   0.547
   19   2HH1  ARG  25          2HH2      ARG  25  -1.423  -7.271   0.806
   20   1HH2  ARG  25          2HH1      ARG  25  -2.113  -3.820   0.854
   21   2HH2  ARG  25          1HH1      ARG  25  -2.814  -5.373   0.964
   22    H    HIS  26           H        HIS  26   6.090  -4.303  -0.400
   23    HA   HIS  26           HA       HIS  26   8.793  -4.536   0.878
   24   1HB   HIS  26          2HB       HIS  26   7.694  -5.958  -1.595
   25   2HB   HIS  26          1HB       HIS  26   9.325  -6.113  -0.993
   26    HD1  HIS  26           HD1      HIS  26   8.138  -8.660  -1.103
   27    HD2  HIS  26           HD2      HIS  26   7.330  -6.206   2.154
   28    HE1  HIS  26           HE1      HIS  26   7.353 -10.060   0.805
   29    H    TYR  27           H        TYR  27   7.409  -2.238  -0.226
   30    HA   TYR  27           HA       TYR  27   9.239  -1.500  -2.500
   31   1HB   TYR  27          2HB       TYR  27   6.528  -1.335  -2.564
   32   2HB   TYR  27          1HB       TYR  27   6.835   0.200  -1.775
   33    HD1  TYR  27           HD1      TYR  27   8.497   1.849  -2.933
   34    HD2  TYR  27           HD2      TYR  27   6.889  -1.581  -4.883
   35    HE1  TYR  27           HE1      TYR  27   9.090   2.790  -5.129
   36    HE2  TYR  27           HE2      TYR  27   7.488  -0.633  -7.055
   37    HH   TYR  27           HH       TYR  27   8.087   1.382  -8.134
   38    H    LYS  28           H        LYS  28   7.952  -0.510   0.588
   39    HA   LYS  28           HA       LYS  28   9.153   1.993   0.969
   40   1HB   LYS  28          2HB       LYS  28   7.562   0.799   2.618
   41   2HB   LYS  28          1HB       LYS  28   8.907  -0.216   3.092
   42   1HG   LYS  28          2HG       LYS  28   8.887   1.502   4.719
   43   2HG   LYS  28          1HG       LYS  28  10.191   1.959   3.649
   44   1HD   LYS  28          2HD       LYS  28   8.367   3.395   2.403
   45   2HD   LYS  28          1HD       LYS  28   7.408   3.135   3.843
   46   1HE   LYS  28          2HE       LYS  28   8.656   5.220   4.111
   47   2HE   LYS  28          1HE       LYS  28   9.380   4.046   5.207
   48    HZ   LYS  28           HZ       LYS  28  10.453   4.548   2.462
   49    H    ASN  29           H        ASN  29  10.432  -1.208   1.424
   50    HA   ASN  29           HA       ASN  29  13.031  -0.342   2.303
   51   1HB   ASN  29          2HB       ASN  29  13.699  -2.714   2.208
   52   2HB   ASN  29          1HB       ASN  29  12.038  -2.718   2.771
   53   1HD2  ASN  29          1HD2      ASN  29  10.630  -4.066   1.544
   54   2HD2  ASN  29          2HD2      ASN  29  10.994  -4.624  -0.027
   55    H    LEU  30           H        LEU  30  11.796  -0.097  -0.559
   56    HA   LEU  30           HA       LEU  30  14.377  -0.487  -1.998
   57   1HB   LEU  30          2HB       LEU  30  12.764  -1.475  -3.402
   58   2HB   LEU  30          1HB       LEU  30  11.452  -0.527  -2.770
   59    HG   LEU  30           HG       LEU  30  12.219   1.422  -3.987
   60   1HD1  LEU  30          1HD1      LEU  30  14.693   0.862  -4.253
   61   2HD1  LEU  30          2HD1      LEU  30  13.967   1.141  -5.820
   62   3HD1  LEU  30          3HD1      LEU  30  14.255  -0.501  -5.269
   63   1HD2  LEU  30          1HD2      LEU  30  11.827  -1.050  -5.713
   64   2HD2  LEU  30          2HD2      LEU  30  11.593   0.601  -6.265
   65   3HD2  LEU  30          3HD2      LEU  30  10.569  -0.052  -4.999
   66    H    LEU  31           H        LEU  31  11.733   1.874  -1.421
   67    HA   LEU  31           HA       LEU  31  13.270   4.081  -2.515
   68   1HB   LEU  31          2HB       LEU  31  11.078   4.129  -0.380
   69   2HB   LEU  31          1HB       LEU  31  11.676   5.536  -1.236
   70    HG   LEU  31           HG       LEU  31  10.278   3.135  -2.521
   71   1HD1  LEU  31          1HD1      LEU  31   8.448   4.779  -2.950
   72   2HD1  LEU  31          2HD1      LEU  31   9.359   6.022  -2.107
   73   3HD1  LEU  31          3HD1      LEU  31   8.751   4.628  -1.230
   74   1HD2  LEU  31          1HD2      LEU  31  10.307   4.516  -4.600
   75   2HD2  LEU  31          2HD2      LEU  31  11.941   4.178  -4.094
   76   3HD2  LEU  31          3HD2      LEU  31  11.233   5.757  -3.789
   77    H    GLU  32           H        GLU  32  13.095   2.571   0.585
   78    HA   GLU  32           HA       GLU  32  15.083   4.510   1.695
   79   1HB   GLU  32          2HB       GLU  32  13.252   2.435   2.999
   80   2HB   GLU  32          1HB       GLU  32  14.414   3.388   3.900
   81   1HG   GLU  32          2HG       GLU  32  13.347   5.468   3.289
   82   2HG   GLU  32          1HG       GLU  32  12.385   4.711   2.043
   83    H    ARG  33           H        ARG  33  15.947   2.602  -0.236
   84    HA   ARG  33           HA       ARG  33  17.645   0.785   1.442
   85   1HB   ARG  33          2HB       ARG  33  18.165  -0.446  -0.635
   86   2HB   ARG  33          1HB       ARG  33  16.471  -0.337  -0.399
   87   1HG   ARG  33          2HG       ARG  33  16.298   0.251  -2.540
   88   2HG   ARG  33          1HG       ARG  33  16.872   1.822  -2.107
   89   1HD   ARG  33          2HD       ARG  33  19.144   1.273  -2.686
   90   2HD   ARG  33          1HD       ARG  33  18.810  -0.425  -2.876
   91    HE   ARG  33           HE       ARG  33  18.086   1.757  -4.733
   92   1HH1  ARG  33          1HH2      ARG  33  17.529  -1.494  -3.748
   93   2HH1  ARG  33          2HH2      ARG  33  16.949  -2.034  -5.268
   94   1HH2  ARG  33          2HH1      ARG  33  17.296   1.144  -6.741
   95   2HH2  ARG  33          1HH1      ARG  33  16.790  -0.461  -7.034
   96    H    GLN  34           H        GLN  34  17.809   2.994  -1.174
   97    HA   GLN  34           HA       GLN  34  20.165   3.473  -2.116
   98   1HB   GLN  34          2HB       GLN  34  18.161   5.011  -2.298
   99   2HB   GLN  34          1HB       GLN  34  18.597   5.730  -0.768
  100   1HG   GLN  34          2HG       GLN  34  20.889   6.309  -1.831
  101   2HG   GLN  34          1HG       GLN  34  20.194   5.804  -3.362
  102   1HE2  GLN  34          1HE2      GLN  34  19.099   7.485  -4.482
  103   2HE2  GLN  34          2HE2      GLN  34  18.509   8.881  -3.724
  104    H    ARG  35           H        ARG  35  19.508   5.078   0.865
  105    HA   ARG  35           HA       ARG  35  22.326   4.767   1.737
  106   1HB   ARG  35          2HB       ARG  35  20.563   7.258   1.746
  107   2HB   ARG  35          1HB       ARG  35  21.992   7.145   2.750
  108   1HG   ARG  35          2HG       ARG  35  23.473   7.258   0.963
  109   2HG   ARG  35          1HG       ARG  35  22.408   6.432  -0.140
  110   1HD   ARG  35          2HD       ARG  35  22.813   8.941  -0.581
  111   2HD   ARG  35          1HD       ARG  35  21.156   8.395  -0.604
  112    HE   ARG  35           HE       ARG  35  22.475   9.654   1.777
  113   1HH1  ARG  35          1HH2      ARG  35  19.679   9.300  -0.278
  114   2HH1  ARG  35          2HH2      ARG  35  18.740  10.422   0.583
  115   1HH2  ARG  35          2HH1      ARG  35  21.259  11.068   2.960
  116   2HH2  ARG  35          1HH1      ARG  35  19.664  11.465   2.504
  117    H    TYR  36           H        TYR  36  20.390   3.131   2.246
  118    HA   TYR  36           HA       TYR  36  19.568   1.821   3.961
  119   1HB   TYR  36          2HB       TYR  36  21.534   3.113   5.340
  120   2HB   TYR  36          1HB       TYR  36  20.171   3.948   6.062
  121    HD1  TYR  36           HD1      TYR  36  21.190   0.476   5.119
  122    HD2  TYR  36           HD2      TYR  36  19.236   2.922   8.017
  123    HE1  TYR  36           HE1      TYR  36  20.830  -1.484   6.535
  124    HE2  TYR  36           HE2      TYR  36  18.887   0.940   9.427
  125    HH   TYR  36           HH       TYR  36  20.494  -1.772   9.212
  126   1HT   TYR  36          1HT       TYR  36  17.877   2.404   6.026
  127   2HT   TYR  36          2HT       TYR  36  16.615   3.418   5.499
  Start of MODEL   19
    1    HN   AYA  24           H        ALA  24   2.775  -1.494   2.722
    2    HA   AYA  24           HA       ALA  24   5.230  -0.463   1.476
    3   1HB   AYA  24          1HB       ALA  24   5.514   0.702   3.672
    4   2HB   AYA  24          2HB       ALA  24   4.166  -0.201   4.332
    5   3HB   AYA  24          3HB       ALA  24   3.890   0.973   3.050
    6   1HM   AYA  24          1HA       ALA  24   1.308  -2.576   1.499
    7   2HM   AYA  24          2HA       ALA  24   2.074  -3.792   0.474
    8   3HM   AYA  24          3HA       ALA  24   1.518  -2.274  -0.227
    9    H    ARG  25           H        ARG  25   5.437  -2.981   1.259
   10    HA   ARG  25           HA       ARG  25   7.321  -3.916   3.417
   11   1HB   ARG  25          2HB       ARG  25   5.252  -5.360   3.322
   12   2HB   ARG  25          1HB       ARG  25   5.510  -5.639   1.608
   13   1HG   ARG  25          2HG       ARG  25   7.628  -6.803   2.040
   14   2HG   ARG  25          1HG       ARG  25   7.580  -6.373   3.734
   15   1HD   ARG  25          2HD       ARG  25   5.533  -7.860   4.028
   16   2HD   ARG  25          1HD       ARG  25   5.582  -8.196   2.322
   17    HE   ARG  25           HE       ARG  25   7.549  -9.485   2.556
   18   1HH1  ARG  25          1HH2      ARG  25   6.534  -8.138   5.557
   19   2HH1  ARG  25          2HH2      ARG  25   7.488  -9.171   6.533
   20   1HH2  ARG  25          2HH1      ARG  25   8.821 -10.878   3.753
   21   2HH2  ARG  25          1HH1      ARG  25   8.847 -10.770   5.457
   22    H    HIS  26           H        HIS  26   6.493  -4.376  -0.004
   23    HA   HIS  26           HA       HIS  26   9.422  -4.440  -0.634
   24   1HB   HIS  26          2HB       HIS  26   8.736  -5.844  -2.609
   25   2HB   HIS  26          1HB       HIS  26   8.299  -6.615  -1.091
   26    HD1  HIS  26           HD1      HIS  26   6.699  -4.318  -3.622
   27    HD2  HIS  26           HD2      HIS  26   5.723  -7.335  -0.935
   28    HE1  HIS  26           HE1      HIS  26   4.244  -4.863  -3.842
   29    H    TYR  27           H        TYR  27   8.080  -2.057  -0.343
   30    HA   TYR  27           HA       TYR  27   8.309  -0.968  -3.114
   31   1HB   TYR  27          2HB       TYR  27   5.796  -1.474  -2.170
   32   2HB   TYR  27          1HB       TYR  27   5.991   0.066  -1.386
   33    HD1  TYR  27           HD1      TYR  27   6.996   2.018  -3.035
   34    HD2  TYR  27           HD2      TYR  27   4.882  -1.457  -4.311
   35    HE1  TYR  27           HE1      TYR  27   6.398   3.132  -5.131
   36    HE2  TYR  27           HE2      TYR  27   4.291  -0.329  -6.399
   37    HH   TYR  27           HH       TYR  27   4.648   1.519  -7.713
   38    H    LYS  28           H        LYS  28   7.224   0.326  -0.047
   39    HA   LYS  28           HA       LYS  28   8.708   2.680   0.000
   40   1HB   LYS  28          2HB       LYS  28   6.897   2.287   1.581
   41   2HB   LYS  28          1HB       LYS  28   7.688   0.879   2.254
   42   1HG   LYS  28          2HG       LYS  28   9.263   3.416   2.438
   43   2HG   LYS  28          1HG       LYS  28   7.779   3.396   3.354
   44   1HD   LYS  28          2HD       LYS  28   8.425   1.377   4.544
   45   2HD   LYS  28          1HD       LYS  28   9.848   1.162   3.542
   46   1HE   LYS  28          2HE       LYS  28   9.383   3.654   5.216
   47   2HE   LYS  28          1HE       LYS  28  10.317   2.265   5.761
   48    HZ   LYS  28           HZ       LYS  28  10.989   3.686   3.218
   49    H    ASN  29           H        ASN  29   9.643  -0.390   1.427
   50    HA   ASN  29           HA       ASN  29  12.177   0.431   2.372
   51   1HB   ASN  29          2HB       ASN  29  11.066  -1.675   3.125
   52   2HB   ASN  29          1HB       ASN  29  11.304  -2.375   1.530
   53   1HD2  ASN  29          1HD2      ASN  29  12.846  -4.016   1.977
   54   2HD2  ASN  29          2HD2      ASN  29  14.347  -3.713   2.722
   55    H    LEU  30           H        LEU  30  11.628   0.719  -0.631
   56    HA   LEU  30           HA       LEU  30  14.301  -0.238  -1.741
   57   1HB   LEU  30          2HB       LEU  30  11.945   1.101  -3.196
   58   2HB   LEU  30          1HB       LEU  30  13.312   0.296  -3.945
   59    HG   LEU  30           HG       LEU  30  11.366  -1.026  -2.059
   60   1HD1  LEU  30          1HD1      LEU  30  10.339  -2.044  -4.163
   61   2HD1  LEU  30          2HD1      LEU  30  11.437  -1.084  -5.142
   62   3HD1  LEU  30          3HD1      LEU  30  10.207  -0.298  -4.170
   63   1HD2  LEU  30          1HD2      LEU  30  12.299  -3.161  -3.044
   64   2HD2  LEU  30          2HD2      LEU  30  13.542  -2.224  -2.243
   65   3HD2  LEU  30          3HD2      LEU  30  13.428  -2.218  -3.999
   66    H    LEU  31           H        LEU  31  12.083   2.432  -1.325
   67    HA   LEU  31           HA       LEU  31  13.855   4.536  -2.096
   68   1HB   LEU  31          2HB       LEU  31  11.711   4.577   0.097
   69   2HB   LEU  31          1HB       LEU  31  12.354   5.992  -0.709
   70    HG   LEU  31           HG       LEU  31  10.747   3.766  -2.080
   71   1HD1  LEU  31          1HD1      LEU  31   9.966   6.626  -1.344
   72   2HD1  LEU  31          2HD1      LEU  31   9.371   5.176  -0.557
   73   3HD1  LEU  31          3HD1      LEU  31   8.963   5.494  -2.232
   74   1HD2  LEU  31          1HD2      LEU  31  11.732   6.446  -3.166
   75   2HD2  LEU  31          2HD2      LEU  31  10.719   5.303  -4.031
   76   3HD2  LEU  31          3HD2      LEU  31  12.369   4.879  -3.629
   77    H    GLU  32           H        GLU  32  13.549   2.462   0.590
   78    HA   GLU  32           HA       GLU  32  15.606   4.010   2.154
   79   1HB   GLU  32          2HB       GLU  32  13.714   1.758   2.914
   80   2HB   GLU  32          1HB       GLU  32  14.950   2.338   4.002
   81   1HG   GLU  32          2HG       GLU  32  13.978   4.552   4.116
   82   2HG   GLU  32          1HG       GLU  32  12.908   4.231   2.754
   83    H    ARG  33           H        ARG  33  16.301   2.361  -0.206
   84    HA   ARG  33           HA       ARG  33  18.022   0.293   1.092
   85   1HB   ARG  33          2HB       ARG  33  17.178   0.799  -1.804
   86   2HB   ARG  33          1HB       ARG  33  18.406  -0.366  -1.465
   87   1HG   ARG  33          2HG       ARG  33  15.681  -0.373  -0.438
   88   2HG   ARG  33          1HG       ARG  33  16.241  -1.411  -1.731
   89   1HD   ARG  33          2HD       ARG  33  16.471  -2.938   0.016
   90   2HD   ARG  33          1HD       ARG  33  17.996  -2.104   0.269
   91    HE   ARG  33           HE       ARG  33  15.424  -1.308   1.612
   92   1HH1  ARG  33          1HH2      ARG  33  18.830  -2.046   1.895
   93   2HH1  ARG  33          2HH2      ARG  33  18.904  -1.653   3.556
   94   1HH2  ARG  33          2HH1      ARG  33  15.478  -0.838   3.699
   95   2HH2  ARG  33          1HH1      ARG  33  16.900  -0.925   4.644
   96    H    GLN  34           H        GLN  34  18.520   2.540  -1.630
   97    HA   GLN  34           HA       GLN  34  21.324   2.620  -1.471
   98   1HB   GLN  34          2HB       GLN  34  19.435   4.940  -2.191
   99   2HB   GLN  34          1HB       GLN  34  21.162   4.968  -2.454
  100   1HG   GLN  34          2HG       GLN  34  20.852   2.820  -3.868
  101   2HG   GLN  34          1HG       GLN  34  19.128   3.156  -3.828
  102   1HE2  GLN  34          1HE2      GLN  34  18.518   4.276  -5.742
  103   2HE2  GLN  34          2HE2      GLN  34  19.511   5.423  -6.514
  104    H    ARG  35           H        ARG  35  19.005   4.213   0.523
  105    HA   ARG  35           HA       ARG  35  21.177   5.286   2.212
  106   1HB   ARG  35          2HB       ARG  35  18.450   6.495   1.647
  107   2HB   ARG  35          1HB       ARG  35  19.608   7.154   2.777
  108   1HG   ARG  35          2HG       ARG  35  20.795   8.153   1.132
  109   2HG   ARG  35          1HG       ARG  35  21.023   6.657   0.274
  110   1HD   ARG  35          2HD       ARG  35  19.819   8.113  -1.281
  111   2HD   ARG  35          1HD       ARG  35  18.678   6.947  -0.684
  112    HE   ARG  35           HE       ARG  35  17.548   8.581   0.523
  113   1HH1  ARG  35          1HH2      ARG  35  20.578   9.677  -0.585
  114   2HH1  ARG  35          2HH2      ARG  35  20.338  11.356  -0.295
  115   1HH2  ARG  35          2HH1      ARG  35  17.091  10.765   0.993
  116   2HH2  ARG  35          1HH1      ARG  35  18.256  11.975   0.676
  117    H    TYR  36           H        TYR  36  20.921   3.130   3.070
  118    HA   TYR  36           HA       TYR  36  19.590   1.538   4.441
  119   1HB   TYR  36          2HB       TYR  36  21.903   2.025   5.108
  120   2HB   TYR  36          1HB       TYR  36  21.383   3.462   5.955
  121    HD1  TYR  36           HD1      TYR  36  20.388   3.323   8.177
  122    HD2  TYR  36           HD2      TYR  36  21.473  -0.228   6.094
  123    HE1  TYR  36           HE1      TYR  36  20.180   2.052  10.249
  124    HE2  TYR  36           HE2      TYR  36  21.256  -1.501   8.179
  125    HH   TYR  36           HH       TYR  36  21.011  -0.041  11.234
  126   1HT   TYR  36          1HT       TYR  36  17.270   2.191   4.374
  127   2HT   TYR  36          2HT       TYR  36  16.619   3.011   5.724
  Start of MODEL   20
    1    HN   AYA  24           H        ALA  24   1.285  -3.948  -1.259
    2    HA   AYA  24           HA       ALA  24   3.033  -2.031   0.131
    3   1HB   AYA  24          1HB       ALA  24   0.601  -3.610   1.110
    4   2HB   AYA  24          2HB       ALA  24   0.541  -1.976   0.460
    5   3HB   AYA  24          3HB       ALA  24   1.363  -2.298   1.978
    6   1HM   AYA  24          1HA       ALA  24   3.324  -4.654  -3.765
    7   2HM   AYA  24          2HA       ALA  24   2.535  -3.139  -4.172
    8   3HM   AYA  24          3HA       ALA  24   1.613  -4.422  -3.378
    9    H    ARG  25           H        ARG  25   4.691  -3.708  -0.425
   10    HA   ARG  25           HA       ARG  25   5.146  -5.447   1.975
   11   1HB   ARG  25          2HB       ARG  25   5.760  -6.152  -0.937
   12   2HB   ARG  25          1HB       ARG  25   6.300  -7.091   0.447
   13   1HG   ARG  25          2HG       ARG  25   3.849  -7.346   1.128
   14   2HG   ARG  25          1HG       ARG  25   3.399  -6.552  -0.368
   15   1HD   ARG  25          2HD       ARG  25   4.656  -8.371  -1.651
   16   2HD   ARG  25          1HD       ARG  25   4.981  -9.150  -0.127
   17    HE   ARG  25           HE       ARG  25   2.602  -9.504   0.235
   18   1HH1  ARG  25          1HH2      ARG  25   3.507  -8.586  -2.980
   19   2HH1  ARG  25          2HH2      ARG  25   2.110  -9.234  -3.713
   20   1HH2  ARG  25          2HH1      ARG  25   0.767 -10.355  -0.664
   21   2HH2  ARG  25          1HH1      ARG  25   0.495 -10.277  -2.351
   22    H    HIS  26           H        HIS  26   6.984  -4.343  -0.891
   23    HA   HIS  26           HA       HIS  26   9.084  -3.371   0.977
   24   1HB   HIS  26          2HB       HIS  26  10.752  -4.119  -0.867
   25   2HB   HIS  26          1HB       HIS  26  10.001  -5.410   0.055
   26    HD1  HIS  26           HD1      HIS  26   8.092  -6.726  -1.190
   27    HD2  HIS  26           HD2      HIS  26  10.162  -3.973  -3.509
   28    HE1  HIS  26           HE1      HIS  26   7.594  -7.152  -3.607
   29    H    TYR  27           H        TYR  27   7.944  -1.297   0.641
   30    HA   TYR  27           HA       TYR  27   8.729  -0.025  -1.974
   31   1HB   TYR  27          2HB       TYR  27   6.218  -0.233  -1.343
   32   2HB   TYR  27          1HB       TYR  27   6.509   0.976  -0.115
   33    HD1  TYR  27           HD1      TYR  27   7.195   0.377  -3.763
   34    HD2  TYR  27           HD2      TYR  27   6.207   3.241  -0.759
   35    HE1  TYR  27           HE1      TYR  27   6.967   2.118  -5.481
   36    HE2  TYR  27           HE2      TYR  27   5.978   4.953  -2.481
   37    HH   TYR  27           HH       TYR  27   6.974   5.293  -4.849
   38    H    LYS  28           H        LYS  28   8.015   1.050   1.303
   39    HA   LYS  28           HA       LYS  28   9.654   3.352   1.285
   40   1HB   LYS  28          2HB       LYS  28   7.954   2.690   3.119
   41   2HB   LYS  28          1HB       LYS  28   9.144   1.564   3.732
   42   1HG   LYS  28          2HG       LYS  28   9.472   3.514   5.031
   43   2HG   LYS  28          1HG       LYS  28  10.765   3.596   3.854
   44   1HD   LYS  28          2HD       LYS  28   9.023   5.024   2.431
   45   2HD   LYS  28          1HD       LYS  28   8.168   5.153   3.947
   46   1HE   LYS  28          2HE       LYS  28   9.655   7.065   3.751
   47   2HE   LYS  28          1HE       LYS  28  10.323   6.017   5.000
   48    HZ   LYS  28           HZ       LYS  28  11.238   5.954   2.152
   49    H    ASN  29           H        ASN  29  10.350   0.117   2.401
   50    HA   ASN  29           HA       ASN  29  13.113   0.619   2.966
   51   1HB   ASN  29          2HB       ASN  29  13.212  -1.943   3.190
   52   2HB   ASN  29          1HB       ASN  29  11.913  -1.235   4.134
   53   1HD2  ASN  29          1HD2      ASN  29  12.363  -3.885   2.255
   54   2HD2  ASN  29          2HD2      ASN  29  10.814  -3.988   1.566
   55    H    LEU  30           H        LEU  30  11.781   0.640   0.170
   56    HA   LEU  30           HA       LEU  30  14.026  -0.655  -1.309
   57   1HB   LEU  30          2HB       LEU  30  12.148  -1.404  -2.497
   58   2HB   LEU  30          1HB       LEU  30  11.106  -0.146  -1.923
   59    HG   LEU  30           HG       LEU  30  12.210   1.444  -3.487
   60   1HD1  LEU  30          1HD1      LEU  30  13.691   0.515  -5.296
   61   2HD1  LEU  30          2HD1      LEU  30  13.626  -1.066  -4.534
   62   3HD1  LEU  30          3HD1      LEU  30  14.429   0.280  -3.734
   63   1HD2  LEU  30          1HD2      LEU  30  10.174   0.341  -4.200
   64   2HD2  LEU  30          2HD2      LEU  30  11.085  -1.033  -4.817
   65   3HD2  LEU  30          3HD2      LEU  30  11.248   0.548  -5.576
   66    H    LEU  31           H        LEU  31  11.907   2.122  -1.408
   67    HA   LEU  31           HA       LEU  31  13.494   3.987  -2.754
   68   1HB   LEU  31          2HB       LEU  31  11.009   4.058  -1.788
   69   2HB   LEU  31          1HB       LEU  31  11.737   4.820  -0.397
   70    HG   LEU  31           HG       LEU  31  12.215   5.760  -3.231
   71   1HD1  LEU  31          1HD1      LEU  31  10.432   7.500  -2.794
   72   2HD1  LEU  31          2HD1      LEU  31  10.077   6.729  -1.258
   73   3HD1  LEU  31          3HD1      LEU  31   9.779   5.872  -2.762
   74   1HD2  LEU  31          1HD2      LEU  31  12.443   7.228  -0.530
   75   2HD2  LEU  31          2HD2      LEU  31  12.762   7.956  -2.091
   76   3HD2  LEU  31          3HD2      LEU  31  13.809   6.694  -1.496
   77    H    GLU  32           H        GLU  32  13.373   3.224   0.590
   78    HA   GLU  32           HA       GLU  32  15.780   4.910   1.194
   79   1HB   GLU  32          2HB       GLU  32  13.740   3.545   3.021
   80   2HB   GLU  32          1HB       GLU  32  15.111   4.470   3.599
   81   1HG   GLU  32          2HG       GLU  32  14.282   6.519   2.681
   82   2HG   GLU  32          1HG       GLU  32  13.159   5.696   1.614
   83    H    ARG  33           H        ARG  33  15.994   2.511  -0.282
   84    HA   ARG  33           HA       ARG  33  17.435   0.706   1.632
   85   1HB   ARG  33          2HB       ARG  33  17.054  -1.042   0.097
   86   2HB   ARG  33          1HB       ARG  33  15.700  -0.023  -0.238
   87   1HG   ARG  33          2HG       ARG  33  16.252  -0.591  -2.341
   88   2HG   ARG  33          1HG       ARG  33  17.014   0.953  -2.247
   89   1HD   ARG  33          2HD       ARG  33  19.225  -0.133  -1.707
   90   2HD   ARG  33          1HD       ARG  33  18.504  -1.714  -1.744
   91    HE   ARG  33           HE       ARG  33  19.309  -0.108  -4.004
   92   1HH1  ARG  33          1HH2      ARG  33  16.986  -2.378  -2.925
   93   2HH1  ARG  33          2HH2      ARG  33  16.646  -3.064  -4.457
   94   1HH2  ARG  33          2HH1      ARG  33  18.966  -0.945  -6.095
   95   2HH2  ARG  33          1HH1      ARG  33  17.832  -2.204  -6.340
   96    H    GLN  34           H        GLN  34  17.662   2.411  -1.366
   97    HA   GLN  34           HA       GLN  34  20.052   2.370  -2.471
   98   1HB   GLN  34          2HB       GLN  34  18.406   4.164  -2.964
   99   2HB   GLN  34          1HB       GLN  34  18.746   4.954  -1.449
  100   1HG   GLN  34          2HG       GLN  34  21.118   5.370  -2.223
  101   2HG   GLN  34          1HG       GLN  34  20.712   4.658  -3.778
  102   1HE2  GLN  34          1HE2      GLN  34  20.040   6.223  -5.285
  103   2HE2  GLN  34          2HE2      GLN  34  19.314   7.697  -4.865
  104    H    ARG  35           H        ARG  35  19.705   4.448   0.295
  105    HA   ARG  35           HA       ARG  35  22.323   3.603   1.343
  106   1HB   ARG  35          2HB       ARG  35  22.497   5.772  -0.122
  107   2HB   ARG  35          1HB       ARG  35  21.537   6.557   1.125
  108   1HG   ARG  35          2HG       ARG  35  23.281   5.863   2.824
  109   2HG   ARG  35          1HG       ARG  35  24.225   5.174   1.515
  110   1HD   ARG  35          2HD       ARG  35  24.304   7.458   0.435
  111   2HD   ARG  35          1HD       ARG  35  23.450   8.109   1.818
  112    HE   ARG  35           HE       ARG  35  26.109   6.718   1.924
  113   1HH1  ARG  35          1HH2      ARG  35  23.959   9.108   3.218
  114   2HH1  ARG  35          2HH2      ARG  35  25.080   9.707   4.357
  115   1HH2  ARG  35          2HH1      ARG  35  27.587   7.431   3.402
  116   2HH2  ARG  35          1HH1      ARG  35  27.206   8.701   4.479
  117    H    TYR  36           H        TYR  36  19.911   2.787   2.121
  118    HA   TYR  36           HA       TYR  36  18.562   2.505   3.983
  119   1HB   TYR  36          2HB       TYR  36  21.090   3.677   5.034
  120   2HB   TYR  36          1HB       TYR  36  19.753   4.192   6.011
  121    HD1  TYR  36           HD1      TYR  36  21.380   3.011   7.622
  122    HD2  TYR  36           HD2      TYR  36  19.011   0.823   4.809
  123    HE1  TYR  36           HE1      TYR  36  21.617   0.984   8.968
  124    HE2  TYR  36           HE2      TYR  36  19.259  -1.158   6.152
  125    HH   TYR  36           HH       TYR  36  20.077  -2.048   8.057
  126   1HT   TYR  36          1HT       TYR  36  17.567   4.132   5.945
  127   2HT   TYR  36          2HT       TYR  36  16.814   5.476   5.231