*HEADER    TOXIN                                   11-FEB-18   6CEG              
*TITLE     SOLUTION NMR STRUCTURE OF THE OMEGA CONOTOXIN MOVIB FROM CONUS MONCURI
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CONOTOXIN MOVIB;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS;                                          
*SOURCE   4 ORGANISM_COMMON: CONUS MONCURI;                                      
*SOURCE   5 ORGANISM_TAXID: 6490                                                 
*KEYWDS    CONOTOXIN, OMEGA-CONOTOXIN, CA2+ CHANNEL INHBITOR, TOXIN              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.J.ROSENGREN                                                         
*REVDAT   1   07-MAR-18 6CEG    0                                                
# Restraints file 1: restraints.tbl
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assign (resid   27 and name HN   ) (resid   27 and name HG1  )    5.41    5.41    0.00
assign (resid    8 and name HB1  ) (resid   26 and name HN   )    5.22    5.22    0.00
assign (resid    4 and name HG1  ) (resid   29 and name HN   )    3.79    3.79    0.00
assign (resid   30 and name HN   ) (resid   30 and name HD#  )    7.35    7.35    0.00
assign (resid   28 and name HA   ) (resid   29 and name HD#  )    7.63    7.63    0.00
assign (resid    4 and name HD#  ) (resid   29 and name HD#  )    8.52    8.52    0.00
assign (resid    4 and name HB#  ) (resid   29 and name HD#  )    8.51    8.51    0.00
assign (resid    4 and name HB#  ) (resid   29 and name HE#  )    8.52    8.52    0.00
assign (resid   20 and name HN   ) (resid   20 and name HG2# )    5.71    5.71    0.00
assign (resid   20 and name HN   ) (resid   20 and name HD1# )    5.56    5.56    0.00
assign (resid   20 and name HG2# ) (resid   21 and name HN   )    4.78    4.78    0.00
assign (resid   20 and name HD1# ) (resid   21 and name HN   )    6.52    6.52    0.00
assign (resid   18 and name HN   ) (resid   18 and name HG2# )    4.26    4.26    0.00
assign (resid   18 and name HG2# ) (resid   27 and name HN   )    5.43    5.43    0.00
assign (resid   20 and name HD1# ) (resid   27 and name HN   )    5.19    5.19    0.00
assign (resid   20 and name HD1# ) (resid   28 and name HN   )    6.52    6.52    0.00
assign (resid   17 and name HG2# ) (resid   18 and name HN   )    4.78    4.78    0.00
assign (resid   16 and name HN   ) (resid   17 and name HG2# )    6.52    6.52    0.00
assign (resid   18 and name HG2# ) (resid   19 and name HN   )    6.46    6.46    0.00
assign (resid   17 and name HN   ) (resid   17 and name HG2# )    3.91    3.91    0.00
assign (resid   17 and name HG2# ) (resid   29 and name HN   )    5.65    5.65    0.00
assign (resid   17 and name HG2# ) (resid   17 and name HG1  )    3.42    3.42    0.00
assign (resid   17 and name HG1  ) (resid   18 and name HG2# )    6.15    6.15    0.00
assign (resid   17 and name HA   ) (resid   17 and name HG2# )    3.42    3.42    0.00
assign (resid   20 and name HG2# ) (resid   22 and name HN   )    3.95    3.95    0.00
assign (resid   20 and name HG2# ) (resid   24 and name HN   )    5.34    5.34    0.00
assign (resid   23 and name HG2# ) (resid   24 and name HN   )    6.02    6.02    0.00
assign (resid   23 and name HG2# ) (resid   25 and name HN   )    6.52    6.52    0.00
assign (resid   22 and name HD#  ) (resid   23 and name HG2# )    6.45    6.45    0.00
assign (resid   22 and name HE#  ) (resid   23 and name HG2# )    7.75    7.75    0.00
assign (resid   17 and name HG2# ) (resid   29 and name HD#  )    6.45    6.45    0.00
assign (resid   17 and name HG2# ) (resid   29 and name HE#  )    6.89    6.89    0.00
assign (resid   20 and name HG2# ) (resid   23 and name HN   )    3.60    3.60    0.00
assign (resid   20 and name HG2# ) (resid   22 and name HE#  )    8.13    8.13    0.00
assign (resid   23 and name HN   ) (resid   23 and name HG2# )    3.95    3.95    0.00
assign (resid   20 and name HG2# ) (resid   22 and name HD#  )    7.41    7.41    0.00
assign (resid   17 and name HG2# ) (resid   30 and name HN   )    6.05    6.05    0.00
assign (resid   20 and name HG2# ) (resid   25 and name HN   )    6.52    6.52    0.00
assign (resid    6 and name HA   ) (resid    6 and name HB2  )    3.02    3.02    0.00
assign (resid   29 and name HA   ) (resid   29 and name HB1  )    2.99    2.99    0.00
assign (resid    7 and name HA   ) (resid   25 and name HA   )    3.21    3.21    0.00
assign (resid   24 and name HA   ) (resid   24 and name HB2  )    2.96    2.96    0.00
assign (resid   15 and name HB2  ) (resid   18 and name HA   )    3.64    3.64    0.00
assign (resid   30 and name HA   ) (resid   30 and name HD#  )    7.16    7.16    0.00
assign (resid   20 and name HA   ) (resid   20 and name HG12 )    4.04    4.04    0.00
assign (resid    2 and name HA   ) (resid    3 and name HD2  )    2.62    2.62    0.00
assign (resid    2 and name HA   ) (resid    3 and name HD1  )    2.87    2.87    0.00
assign (resid   25 and name HA   ) (resid   25 and name HD2  )    3.86    3.86    0.00
assign (resid   25 and name HA   ) (resid   25 and name HG1  )    4.20    4.20    0.00
assign (resid   20 and name HG12 ) (resid   27 and name HD2  )    4.20    4.20    0.00
assign (resid   27 and name HA   ) (resid   27 and name HG1  )    3.98    3.98    0.00
assign (resid   27 and name HB1  ) (resid   27 and name HD1  )    3.76    3.76    0.00
assign (resid   27 and name HB1  ) (resid   27 and name HD2  )    3.27    3.27    0.00
assign (resid    9 and name HA   ) (resid   10 and name HD2  )    3.42    3.42    0.00
assign (resid    9 and name HA   ) (resid   10 and name HD1  )    2.80    2.80    0.00
assign (resid    2 and name HA   ) (resid    2 and name HD#  )    6.38    6.38    0.00
assign (resid   24 and name HA   ) (resid   24 and name HG1  )    3.98    3.98    0.00
assign (resid    3 and name HA   ) (resid    4 and name HD#  )    3.94    3.94    0.00
assign (resid    4 and name HB#  ) (resid   28 and name HA   )    4.12    4.12    0.00
assign (resid    9 and name HB1  ) (resid   10 and name HD2  )    4.85    4.85    0.00
assign (resid    9 and name HB2  ) (resid   10 and name HD2  )    4.85    4.85    0.00
assign (resid   25 and name HA   ) (resid   25 and name HD1  )    4.79    4.79    0.00
assign (resid    2 and name HB1  ) (resid   15 and name HA   )    4.07    4.07    0.00
assign (resid    4 and name HA   ) (resid   26 and name HB2  )    3.39    3.39    0.00
assign (resid    2 and name HD#  ) (resid    6 and name HB2  )    6.38    6.38    0.00
assign (resid    2 and name HD#  ) (resid    6 and name HB1  )    6.38    6.38    0.00
assign (resid   15 and name HB1  ) (resid   26 and name HB1  )    4.48    4.48    0.00
assign (resid    4 and name HA   ) (resid   26 and name HB1  )    4.04    4.04    0.00
assign (resid    5 and name HA2  ) (resid   25 and name HB1  )    4.54    4.54    0.00
assign (resid    7 and name HA   ) (resid   25 and name HB2  )    4.91    4.91    0.00
assign (resid    5 and name HA1  ) (resid   25 and name HB1  )    5.50    5.50    0.00
assign (resid    2 and name HB1  ) (resid    6 and name HB2  )    5.22    5.22    0.00
assign (resid    2 and name HB1  ) (resid    3 and name HD2  )    5.50    5.50    0.00
assign (resid    2 and name HB2  ) (resid    3 and name HD1  )    5.50    5.50    0.00
assign (resid    2 and name HB1  ) (resid    3 and name HD1  )    4.76    4.76    0.00
assign (resid    2 and name HB2  ) (resid    6 and name HB2  )    4.97    4.97    0.00
assign (resid    3 and name HA   ) (resid    4 and name HG1  )    5.50    5.50    0.00
assign (resid    2 and name HB2  ) (resid   15 and name HA   )    5.13    5.13    0.00
assign (resid    2 and name HB2  ) (resid    3 and name HD2  )    5.50    5.50    0.00
assign (resid   20 and name HA   ) (resid   20 and name HD1# )    4.32    4.32    0.00
assign (resid   18 and name HG2# ) (resid   27 and name HD2  )    5.65    5.65    0.00
assign (resid   18 and name HG2# ) (resid   27 and name HD1  )    6.05    6.05    0.00
assign (resid   20 and name HD1# ) (resid   27 and name HD2  )    5.87    5.87    0.00
assign (resid   20 and name HD1# ) (resid   27 and name HD1  )    5.90    5.90    0.00
assign (resid   23 and name HA   ) (resid   23 and name HG2# )    4.19    4.19    0.00
assign (resid   22 and name HB2  ) (resid   23 and name HG2# )    6.43    6.43    0.00
assign (resid   22 and name HB1  ) (resid   23 and name HG2# )    5.65    5.65    0.00
assign (resid   20 and name HB   ) (resid   23 and name HG2# )    6.52    6.52    0.00
assign (resid   23 and name HG2# ) (resid   25 and name HD2  )    6.52    6.52    0.00
assign (resid   17 and name HB   ) (resid   18 and name HG2# )    6.52    6.52    0.00
assign (resid   20 and name HG2# ) (resid   22 and name HB2  )    5.93    5.93    0.00
assign (resid   20 and name HG2# ) (resid   22 and name HB1  )    5.93    5.93    0.00
assign (resid   18 and name HG2# ) (resid   27 and name HG2  )    4.81    4.81    0.00
assign (resid   18 and name HG2# ) (resid   27 and name HG1  )    4.66    4.66    0.00
assign (resid   18 and name HG2# ) (resid   20 and name HD1# )    7.54    7.54    0.00
assign (resid   16 and name HB2  ) (resid   17 and name HG2# )    6.33    6.33    0.00
assign (resid   17 and name HG2# ) (resid   29 and name HB2  )    6.52    6.52    0.00
assign (resid   16 and name HB1  ) (resid   17 and name HG2# )    6.52    6.52    0.00
assign (resid   17 and name HG2# ) (resid   29 and name HB1  )    6.52    6.52    0.00
assign (resid   20 and name HG2# ) (resid   23 and name HG2# )    6.58    6.58    0.00
assign (resid   18 and name HG2# ) (resid   20 and name HG2# )    7.54    7.54    0.00
assign (resid    2 and name HN   ) (resid    2 and name HG#  )    2.94    2.94    0.00
assign (resid    2 and name HA   ) (resid    2 and name HG#  )    3.71    3.71    0.00
assign (resid    2 and name HG#  ) (resid    6 and name HB2  )    4.94    4.94    0.00
assign (resid    2 and name HG#  ) (resid    6 and name HB1  )    5.08    5.08    0.00
assign (resid    9 and name HN   ) (resid    9 and name HB#  )    2.74    2.74    0.00
assign (resid    9 and name HB#  ) (resid   10 and name HD2  )    3.98    3.98    0.00
assign (resid    9 and name HB#  ) (resid   12 and name HN   )    3.56    3.56    0.00
assign (resid   24 and name HN   ) (resid   24 and name HD#  )    3.97    3.97    0.00
assign (resid   24 and name HA   ) (resid   24 and name HD#  )    4.47    4.47    0.00
assign (resid   28 and name HN   ) (resid   28 and name HB#  )    3.12    3.12    0.00
assign (resid   28 and name HB#  ) (resid   30 and name HN   )    3.66    3.66    0.00


! SIDECHAIN DIHEDRALS
assign (resid    1 and name N    ) (resid    1 and name CA   )
       (resid    1 and name CB   ) (resid    1 and name SG   )    1.0   60.0   30.0 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name CB   ) (resid    2 and name CG   )    1.0  -60.0   30.0 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name CB   ) (resid    6 and name OG   )    1.0  180.0   30.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name CB   ) (resid    8 and name SG   )    1.0   60.0   30.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name CB   ) (resid   13 and name CG   )    1.0  180.0   30.0 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0   50.0   40.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name CB   ) (resid   14 and name CG   )    1.0   60.0   30.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name CB   ) (resid   15 and name SG   )    1.0  -60.0   30.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name CB   ) (resid   16 and name SG   )    1.0  -60.0   30.0 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name CB   ) (resid   19 and name SG   )    1.0  180.0   30.0 2
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name CB   ) (resid   25 and name CG   )    1.0  -60.0   30.0 2
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name CB   ) (resid   26 and name SG   )    1.0  -60.0   30.0 2
assign (resid   27 and name N    ) (resid   27 and name CA   )
       (resid   27 and name CB   ) (resid   27 and name CG   )    1.0  180.0   30.0 2
assign (resid   29 and name N    ) (resid   29 and name CA   )
       (resid   29 and name CB   ) (resid   29 and name CG   )    1.0  -60.0   30.0 2
assign (resid   30 and name N    ) (resid   30 and name CA   )
       (resid   30 and name CB   ) (resid   30 and name CG   )    1.0  -60.0   30.0 2


! BACKBONE DIHEDRALS

assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0  -68.7   24.3 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  134.6   32.0 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0 -124.5   44.1 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  147.0   29.1 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -72.2   37.1 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -33.5   26.2 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -96.3   52.4 2
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0  -89.1   36.6 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name C    ) (resid   21 and name N    )    1.0  105.2   60.0 2
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0  -60.6   20.0 2
assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name C    ) (resid   22 and name N    )    1.0  -25.7   24.0 2
assign (resid   21 and name C    ) (resid   22 and name N    )
       (resid   22 and name CA   ) (resid   22 and name C    )    1.0  -66.0   20.4 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )    1.0  -27.0   28.3 2
assign (resid   22 and name C    ) (resid   23 and name N    )
       (resid   23 and name CA   ) (resid   23 and name C    )    1.0  -85.6   56.0 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name C    ) (resid   24 and name N    )    1.0  -21.3   45.0 2
assign (resid   24 and name C    ) (resid   25 and name N    )
       (resid   25 and name CA   ) (resid   25 and name C    )    1.0 -112.1   47.8 2
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name C    ) (resid   26 and name N    )    1.0  155.3   43.2 2


! HYDROGEN BONDS
assign (resid   6 and name   HG)   (resid  7 and name    O)   1.900    0.100    0.100  
assign (resid   6 and name   OG)   (resid  7 and name    O)   2.400    0.600    0.600  
assign (resid  17 and name  HG1)   (resid  27 and name    O)   1.900    0.100    0.100  
assign (resid  17 and name  OG1)   (resid  27 and name    O)   2.400    0.600    0.600  
assign (resid  27 and name   HN)   (resid  18 and name    O)   1.900    0.100    0.100  
assign (resid  27 and name    N)   (resid  18 and name    O)   2.400    0.600    0.600  


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   CYS   1           HT1      CYS   1  -9.508  -5.745  -1.577
    2    H2   CYS   1           HT2      CYS   1  -9.801  -5.808   0.084
    3    H3   CYS   1           HT3      CYS   1  -8.935  -7.048  -0.679
    4    HA   CYS   1           HA       CYS   1  -8.093  -4.239  -0.463
    5    HB2  CYS   1           HB2      CYS   1  -6.293  -5.180   0.967
    6    HB3  CYS   1           HB1      CYS   1  -7.883  -5.231   1.698
    7    H    LYS   2           H        LYS   2  -5.943  -3.938  -1.091
    8    HA   LYS   2           HA       LYS   2  -5.346  -5.385  -3.511
    9    HB2  LYS   2           HB2      LYS   2  -4.099  -2.972  -2.240
   10    HB3  LYS   2           HB1      LYS   2  -3.505  -3.705  -3.718
   11    HG2  LYS   2           HG2      LYS   2  -5.600  -3.268  -4.821
   12    HG3  LYS   2           HG1      LYS   2  -6.269  -2.601  -3.326
   13    HD2  LYS   2           HD2      LYS   2  -4.703  -0.818  -3.338
   14    HD3  LYS   2           HD1      LYS   2  -3.797  -1.549  -4.656
   15    HE2  LYS   2           HE2      LYS   2  -5.134   0.308  -5.452
   16    HE3  LYS   2           HE1      LYS   2  -5.688  -1.209  -6.146
   17    HZ1  LYS   2           HZ1      LYS   2  -6.892   0.080  -3.794
   18    HZ2  LYS   2           HZ2      LYS   2  -7.546  -1.229  -4.661
   19    HZ3  LYS   2           HZ3      LYS   2  -7.454   0.317  -5.364
   20    HA   PRO   3           HA       PRO   3  -2.335  -8.135  -1.639
   21    HB2  PRO   3           HB2      PRO   3  -1.221  -8.284  -4.375
   22    HB3  PRO   3           HB1      PRO   3  -1.859  -9.576  -3.360
   23    HG2  PRO   3           HG2      PRO   3  -3.209  -8.692  -5.493
   24    HG3  PRO   3           HG1      PRO   3  -4.031  -9.193  -4.005
   25    HD2  PRO   3           HD2      PRO   3  -3.467  -6.437  -5.018
   26    HD3  PRO   3           HD1      PRO   3  -4.911  -7.105  -4.221
   27    HA   HYP   4           HA       HYP   4   1.378  -5.759  -0.948
   28    HB2  HYP   4           HB1      HYP   4   3.014  -7.206  -0.130
   29    HB3  HYP   4           HB2      HYP   4   2.758  -8.381  -1.433
   30    HG   HYP   4           HG       HYP   4   1.627  -9.297   0.490
   31   HD22  HYP   4          HD11      HYP   4  -0.843  -8.535  -0.258
   32   HD23  HYP   4          HD12      HYP   4   0.159  -9.441  -1.417
   33    HD1  HYP   4           HD2      HYP   4   1.589  -6.972   1.341
   34    H    GLY   5           H        GLY   5   2.643  -4.551  -2.192
   35    HA2  GLY   5           HA2      GLY   5   4.131  -4.098  -3.912
   36    HA3  GLY   5           HA1      GLY   5   3.648  -5.594  -4.692
   37    H    SER   6           H        SER   6   0.764  -4.609  -4.149
   38    HA   SER   6           HA       SER   6   0.366  -3.469  -6.706
   39    HB2  SER   6           HB2      SER   6  -1.411  -4.624  -5.895
   40    HB3  SER   6           HB1      SER   6  -1.493  -3.720  -4.333
   41    HG   SER   6           HG       SER   6  -2.351  -1.996  -5.619
   42    H    LYS   7           H        LYS   7  -0.848  -1.643  -6.858
   43    HA   LYS   7           HA       LYS   7   0.645   0.616  -5.642
   44    HB2  LYS   7           HB2      LYS   7   0.511   0.596  -8.140
   45    HB3  LYS   7           HB1      LYS   7  -1.240   0.672  -8.035
   46    HG2  LYS   7           HG2      LYS   7  -1.081   2.864  -6.973
   47    HG3  LYS   7           HG1      LYS   7   0.676   2.783  -7.075
   48    HD2  LYS   7           HD2      LYS   7   0.530   2.667  -9.514
   49    HD3  LYS   7           HD1      LYS   7  -1.229   2.750  -9.418
   50    HE2  LYS   7           HE2      LYS   7  -1.123   4.948  -8.429
   51    HE3  LYS   7           HE1      LYS   7   0.634   4.866  -8.359
   52    HZ1  LYS   7           HZ1      LYS   7  -0.998   4.881 -10.832
   53    HZ2  LYS   7           HZ2      LYS   7   0.696   4.838 -10.764
   54    HZ3  LYS   7           HZ3      LYS   7  -0.125   6.183 -10.215
   55    H    CYS   8           H        CYS   8  -0.469   2.129  -4.379
   56    HA   CYS   8           HA       CYS   8  -3.342   1.618  -4.001
   57    HB2  CYS   8           HB2      CYS   8  -2.936   1.714  -1.563
   58    HB3  CYS   8           HB1      CYS   8  -2.422   0.234  -2.364
   59    H    SER   9           H        SER   9  -4.227   3.134  -2.266
   60    HA   SER   9           HA       SER   9  -3.216   5.744  -2.763
   61    HB2  SER   9           HB2      SER   9  -5.471   6.188  -1.661
   62    HB3  SER   9           HB1      SER   9  -5.365   5.717  -3.381
   63    HG   SER   9           HG       SER   9  -5.699   3.638  -1.452
   64    HA   HYP  10           HA       HYP  10  -1.063   5.569   1.050
   65    HB2  HYP  10           HB1      HYP  10   0.125   7.468   0.845
   66    HB3  HYP  10           HB2      HYP  10  -1.262   8.447   1.329
   67    HG   HYP  10           HG       HYP  10  -1.005   9.055  -0.982
   68   HD22  HYP  10          HD11      HYP  10  -2.721   7.458  -2.099
   69   HD23  HYP  10          HD12      HYP  10  -3.244   8.194  -0.560
   70    HD1  HYP  10           HD2      HYP  10  -0.967   6.630  -1.998
   71    H    SER  11           H        SER  11  -4.009   7.649   1.210
   72    HA   SER  11           HA       SER  11  -3.928   7.266   4.094
   73    HB2  SER  11           HB2      SER  11  -5.623   9.156   2.451
   74    HB3  SER  11           HB1      SER  11  -5.528   9.107   4.209
   75    HG   SER  11           HG       SER  11  -3.617  10.016   4.169
   76    H    MET  12           H        MET  12  -5.260   5.710   1.504
   77    HA   MET  12           HA       MET  12  -7.730   5.105   2.850
   78    HB2  MET  12           HB2      MET  12  -6.573   4.213   0.232
   79    HB3  MET  12           HB1      MET  12  -8.076   3.572   0.885
   80    HG2  MET  12           HG2      MET  12  -7.551   6.470   0.383
   81    HG3  MET  12           HG1      MET  12  -8.333   5.396  -0.768
   82    HE1  MET  12           HE1      MET  12  -9.648   8.119   0.303
   83    HE2  MET  12           HE2      MET  12 -11.309   7.597   0.585
   84    HE3  MET  12          3HE       MET  12 -10.442   7.040  -0.844
   85    H    ARG  13           H        ARG  13  -4.676   3.763   2.324
   86    HA   ARG  13           HA       ARG  13  -3.606   1.817   2.956
   87    HB2  ARG  13           HB2      ARG  13  -3.975   2.942   5.066
   88    HB3  ARG  13           HB1      ARG  13  -5.569   2.230   5.185
   89    HG2  ARG  13           HG2      ARG  13  -4.513   0.011   5.482
   90    HG3  ARG  13           HG1      ARG  13  -2.923   0.747   5.294
   91    HD2  ARG  13           HD2      ARG  13  -4.903   1.342   7.490
   92    HD3  ARG  13           HD1      ARG  13  -3.446   0.357   7.646
   93    HE   ARG  13           HE       ARG  13  -3.042   3.046   6.694
   94   HH11  ARG  13          HH11      ARG  13  -3.225   0.993   9.577
   95   HH12  ARG  13          HH12      ARG  13  -2.251   2.020  10.520
   96   HH21  ARG  13          HH21      ARG  13  -1.726   4.457   8.009
   97   HH22  ARG  13          HH22      ARG  13  -1.389   4.018   9.626
   98    H    ASP  14           H        ASP  14  -5.443   1.440   1.058
   99    HA   ASP  14           HA       ASP  14  -7.387  -0.553   1.689
  100    HB2  ASP  14           HB2      ASP  14  -7.917  -0.351  -0.736
  101    HB3  ASP  14           HB1      ASP  14  -8.011   1.154   0.157
  102    H    CYS  15           H        CYS  15  -4.368  -1.006   1.661
  103    HA   CYS  15           HA       CYS  15  -4.197  -3.306  -0.123
  104    HB2  CYS  15           HB2      CYS  15  -2.182  -2.259   1.862
  105    HB3  CYS  15           HB1      CYS  15  -1.913  -3.525   0.697
  106    H    CYS  16           H        CYS  16  -3.614  -5.391   0.753
  107    HA   CYS  16           HA       CYS  16  -5.243  -6.130   2.916
  108    HB2  CYS  16           HB2      CYS  16  -3.003  -7.590   1.558
  109    HB3  CYS  16           HB1      CYS  16  -4.145  -8.319   2.675
  110    H    THR  17           H        THR  17  -1.939  -5.197   2.712
  111    HA   THR  17           HA       THR  17  -1.612  -5.767   5.552
  112    HB   THR  17           HB       THR  17   0.796  -5.081   5.067
  113    HG1  THR  17           HG1      THR  17   1.416  -5.113   2.869
  114   HG21  THR  17          HG21      THR  17  -0.335  -7.497   3.620
  115   HG22  THR  17          HG22      THR  17   0.124  -7.443   5.321
  116   HG23  THR  17          HG23      THR  17   1.358  -7.281   4.070
  117    H    THR  18           H        THR  18  -0.183  -3.306   3.596
  118    HA   THR  18           HA       THR  18  -1.351  -1.068   5.053
  119    HB   THR  18           HB       THR  18   1.613  -1.754   5.072
  120    HG1  THR  18           HG1      THR  18  -0.400  -2.062   6.992
  121   HG21  THR  18          HG21      THR  18   1.925   0.120   6.535
  122   HG22  THR  18          HG22      THR  18   0.198   0.483   6.517
  123   HG23  THR  18          HG23      THR  18   1.168   0.675   5.043
  124    H    CYS  19           H        CYS  19  -0.741   0.948   3.828
  125    HA   CYS  19           HA       CYS  19   0.310   0.394   1.134
  126    HB2  CYS  19           HB2      CYS  19  -1.950   1.219   1.108
  127    HB3  CYS  19           HB1      CYS  19  -1.534   2.579   2.158
  128    H    ILE  20           H        ILE  20   2.293   1.061   0.900
  129    HA   ILE  20           HA       ILE  20   3.653   2.643   2.835
  130    HB   ILE  20           HB       ILE  20   4.552   1.965   0.009
  131   HG12  ILE  20          HG12      ILE  20   4.861   0.395   2.582
  132   HG13  ILE  20          HG11      ILE  20   3.926  -0.061   1.183
  133   HG21  ILE  20          HG21      ILE  20   6.126   2.661   2.495
  134   HG22  ILE  20          HG22      ILE  20   5.874   3.719   1.108
  135   HG23  ILE  20          HG23      ILE  20   6.816   2.235   0.927
  136   HD11  ILE  20          HD11      ILE  20   6.924   0.220   1.209
  137   HD12  ILE  20          HD12      ILE  20   5.938  -0.293  -0.162
  138   HD13  ILE  20          HD13      ILE  20   6.032  -1.299   1.283
  139    H    SER  21           H        SER  21   3.338   4.760   3.023
  140    HA   SER  21           HA       SER  21   1.876   6.255   1.145
  141    HB2  SER  21           HB2      SER  21   3.497   7.217   3.496
  142    HB3  SER  21           HB1      SER  21   2.211   8.108   2.679
  143    HG   SER  21           HG       SER  21   1.352   5.649   3.366
  144    H    TYR  22           H        TYR  22   5.209   5.650   1.382
  145    HA   TYR  22           HA       TYR  22   6.092   7.975  -0.110
  146    HB2  TYR  22           HB2      TYR  22   7.436   6.828   1.643
  147    HB3  TYR  22           HB1      TYR  22   7.509   5.434   0.613
  148    HD1  TYR  22           HD1      TYR  22   8.230   9.098   0.161
  149    HD2  TYR  22           HD2      TYR  22   9.502   5.080  -0.438
  150    HE1  TYR  22           HE1      TYR  22  10.286   9.905  -0.903
  151    HE2  TYR  22           HE2      TYR  22  11.542   5.873  -1.501
  152    HH   TYR  22           HH       TYR  22  12.377   7.871  -2.663
  153    H    THR  23           H        THR  23   5.992   4.533  -0.623
  154    HA   THR  23           HA       THR  23   6.814   4.770  -3.384
  155    HB   THR  23           HB       THR  23   6.056   2.217  -1.973
  156    HG1  THR  23           HG1      THR  23   8.562   3.592  -1.925
  157   HG21  THR  23          HG21      THR  23   7.782   1.256  -3.425
  158   HG22  THR  23          HG22      THR  23   8.162   2.851  -4.067
  159   HG23  THR  23          HG23      THR  23   6.599   2.113  -4.411
  160    H    LYS  24           H        LYS  24   3.844   4.672  -1.735
  161    HA   LYS  24           HA       LYS  24   1.725   4.374  -2.209
  162    HB2  LYS  24           HB2      LYS  24   2.401   4.644  -5.149
  163    HB3  LYS  24           HB1      LYS  24   0.853   4.716  -4.413
  164    HG2  LYS  24           HG2      LYS  24   1.441   6.975  -4.984
  165    HG3  LYS  24           HG1      LYS  24   1.397   6.811  -3.238
  166    HD2  LYS  24           HD2      LYS  24   3.275   8.192  -3.923
  167    HD3  LYS  24           HD1      LYS  24   3.861   6.689  -3.211
  168    HE2  LYS  24           HE2      LYS  24   4.205   5.789  -5.493
  169    HE3  LYS  24           HE1      LYS  24   3.677   7.338  -6.156
  170    HZ1  LYS  24           HZ1      LYS  24   5.577   8.404  -5.255
  171    HZ2  LYS  24           HZ2      LYS  24   6.154   6.975  -5.965
  172    HZ3  LYS  24           HZ3      LYS  24   5.958   7.077  -4.298
  173    H    ARG  25           H        ARG  25   3.266   2.091  -1.910
  174    HA   ARG  25           HA       ARG  25   1.820   0.261  -3.658
  175    HB2  ARG  25           HB2      ARG  25   4.676  -0.087  -2.794
  176    HB3  ARG  25           HB1      ARG  25   3.736  -1.298  -3.629
  177    HG2  ARG  25           HG2      ARG  25   4.622   1.368  -4.731
  178    HG3  ARG  25           HG1      ARG  25   5.220  -0.230  -5.201
  179    HD2  ARG  25           HD2      ARG  25   2.766  -0.722  -5.849
  180    HD3  ARG  25           HD1      ARG  25   2.551   0.999  -5.644
  181    HE   ARG  25           HE       ARG  25   4.224   1.366  -7.349
  182   HH11  ARG  25          HH11      ARG  25   2.701  -1.837  -7.257
  183   HH12  ARG  25          HH12      ARG  25   2.763  -2.086  -8.928
  184   HH21  ARG  25          HH21      ARG  25   4.365   0.985  -9.681
  185   HH22  ARG  25          HH22      ARG  25   3.773  -0.457 -10.343
  186    H    CYS  26           H        CYS  26   1.672  -1.880  -2.755
  187    HA   CYS  26           HA       CYS  26   0.828  -1.629  -0.034
  188    HB2  CYS  26           HB2      CYS  26   0.673  -3.955  -1.939
  189    HB3  CYS  26           HB1      CYS  26  -0.055  -3.918  -0.334
  190    H    ARG  27           H        ARG  27   1.755  -2.287   1.627
  191    HA   ARG  27           HA       ARG  27   4.481  -2.754   1.811
  192    HB2  ARG  27           HB2      ARG  27   2.962  -1.768   3.533
  193    HB3  ARG  27           HB1      ARG  27   2.343  -3.367   3.824
  194    HG2  ARG  27           HG2      ARG  27   4.529  -4.159   4.493
  195    HG3  ARG  27           HG1      ARG  27   5.202  -2.548   4.255
  196    HD2  ARG  27           HD2      ARG  27   3.940  -1.700   6.076
  197    HD3  ARG  27           HD1      ARG  27   2.975  -3.182   6.173
  198    HE   ARG  27           HE       ARG  27   5.449  -4.096   6.457
  199   HH11  ARG  27          HH11      ARG  27   3.831  -1.432   8.189
  200   HH12  ARG  27          HH12      ARG  27   4.633  -1.752   9.642
  201   HH21  ARG  27          HH21      ARG  27   6.450  -4.556   8.445
  202   HH22  ARG  27          HH22      ARG  27   6.171  -3.580   9.817
  203    H    LYS  28           H        LYS  28   5.595  -4.553   2.661
  204    HA   LYS  28           HA       LYS  28   5.005  -7.192   1.754
  205    HB2  LYS  28           HB2      LYS  28   6.855  -6.298   3.959
  206    HB3  LYS  28           HB1      LYS  28   6.962  -7.744   2.993
  207    HG2  LYS  28           HG2      LYS  28   7.267  -5.001   1.795
  208    HG3  LYS  28           HG1      LYS  28   8.627  -5.921   2.420
  209    HD2  LYS  28           HD2      LYS  28   6.754  -6.873   0.252
  210    HD3  LYS  28           HD1      LYS  28   8.324  -6.125  -0.035
  211    HE2  LYS  28           HE2      LYS  28   7.813  -8.733   1.421
  212    HE3  LYS  28           HE1      LYS  28   8.522  -8.526  -0.173
  213    HZ1  LYS  28           HZ1      LYS  28  10.388  -7.377   0.827
  214    HZ2  LYS  28           HZ2      LYS  28  10.221  -8.909   1.475
  215    HZ3  LYS  28           HZ3      LYS  28   9.739  -7.578   2.370
  216    H    TYR  29           H        TYR  29   5.238  -8.861   3.566
  217    HA   TYR  29           HA       TYR  29   2.845  -8.641   5.150
  218    HB2  TYR  29           HB2      TYR  29   4.894 -10.793   4.805
  219    HB3  TYR  29           HB1      TYR  29   3.570 -10.942   5.937
  220    HD1  TYR  29           HD1      TYR  29   1.210 -10.970   5.010
  221    HD2  TYR  29           HD2      TYR  29   4.612 -11.112   2.463
  222    HE1  TYR  29           HE1      TYR  29  -0.207 -11.762   3.183
  223    HE2  TYR  29           HE2      TYR  29   3.208 -11.902   0.620
  224    HH   TYR  29           HH       TYR  29   1.071 -13.041   0.306
  225    H    TYR  30           H        TYR  30   6.208  -9.167   5.798
  226    HA   TYR  30           HA       TYR  30   5.787  -8.158   8.466
  227    HB2  TYR  30           HB2      TYR  30   7.983  -9.944   7.428
  228    HB3  TYR  30           HB1      TYR  30   7.947  -9.273   9.056
  229    HD1  TYR  30           HD1      TYR  30   6.007  -9.855  10.553
  230    HD2  TYR  30           HD2      TYR  30   6.769 -11.906   6.914
  231    HE1  TYR  30           HE1      TYR  30   4.608 -11.699  11.316
  232    HE2  TYR  30           HE2      TYR  30   5.374 -13.771   7.664
  233    HH   TYR  30           HH       TYR  30   4.639 -14.708   9.844
  Start of MODEL    2
    1    H1   CYS   1           HT1      CYS   1  -9.537  -6.080   0.504
    2    H2   CYS   1           HT2      CYS   1  -8.652  -7.302  -0.254
    3    H3   CYS   1           HT3      CYS   1  -9.301  -6.040  -1.168
    4    HA   CYS   1           HA       CYS   1  -7.879  -4.476  -0.090
    5    HB2  CYS   1           HB2      CYS   1  -6.033  -5.369   1.296
    6    HB3  CYS   1           HB1      CYS   1  -7.607  -5.489   2.050
    7    H    LYS   2           H        LYS   2  -5.712  -4.150  -0.749
    8    HA   LYS   2           HA       LYS   2  -5.070  -5.649  -3.153
    9    HB2  LYS   2           HB2      LYS   2  -3.905  -3.089  -2.036
   10    HB3  LYS   2           HB1      LYS   2  -3.355  -3.866  -3.504
   11    HG2  LYS   2           HG2      LYS   2  -6.162  -2.905  -3.058
   12    HG3  LYS   2           HG1      LYS   2  -4.898  -1.997  -3.896
   13    HD2  LYS   2           HD2      LYS   2  -4.670  -3.871  -5.492
   14    HD3  LYS   2           HD1      LYS   2  -6.006  -4.690  -4.692
   15    HE2  LYS   2           HE2      LYS   2  -7.516  -2.902  -5.288
   16    HE3  LYS   2           HE1      LYS   2  -6.194  -1.981  -5.999
   17    HZ1  LYS   2           HZ1      LYS   2  -7.177  -4.607  -6.957
   18    HZ2  LYS   2           HZ2      LYS   2  -5.894  -3.739  -7.616
   19    HZ3  LYS   2           HZ3      LYS   2  -7.452  -3.109  -7.687
   20    HA   PRO   3           HA       PRO   3  -1.864  -8.031  -1.263
   21    HB2  PRO   3           HB2      PRO   3  -0.653  -8.951  -3.481
   22    HB3  PRO   3           HB1      PRO   3  -2.293  -9.459  -3.063
   23    HG2  PRO   3           HG2      PRO   3  -1.406  -7.355  -5.001
   24    HG3  PRO   3           HG1      PRO   3  -2.620  -8.630  -5.223
   25    HD2  PRO   3           HD2      PRO   3  -3.282  -6.074  -4.588
   26    HD3  PRO   3           HD1      PRO   3  -4.232  -7.474  -4.055
   27    HA   HYP   4           HA       HYP   4   1.894  -5.642  -0.851
   28    HB2  HYP   4           HB1      HYP   4   3.543  -7.030  -0.097
   29    HB3  HYP   4           HB2      HYP   4   3.486  -8.034  -1.550
   30    HG   HYP   4           HG       HYP   4   2.486  -9.432   0.093
   31   HD22  HYP   4          HD11      HYP   4  -0.085  -8.873  -0.403
   32   HD23  HYP   4          HD12      HYP   4   0.964  -9.332  -1.766
   33    HD1  HYP   4           HD2      HYP   4   1.804  -7.051   1.169
   34    H    GLY   5           H        GLY   5   3.063  -4.380  -2.159
   35    HA2  GLY   5           HA2      GLY   5   4.348  -3.785  -3.990
   36    HA3  GLY   5           HA1      GLY   5   4.039  -5.367  -4.667
   37    H    SER   6           H        SER   6   1.049  -4.569  -4.054
   38    HA   SER   6           HA       SER   6   0.537  -3.528  -6.647
   39    HB2  SER   6           HB2      SER   6  -1.176  -4.803  -5.839
   40    HB3  SER   6           HB1      SER   6  -1.287  -3.943  -4.258
   41    HG   SER   6           HG       SER   6  -2.282  -2.281  -5.438
   42    H    LYS   7           H        LYS   7  -0.800  -1.772  -6.750
   43    HA   LYS   7           HA       LYS   7   0.638   0.546  -5.591
   44    HB2  LYS   7           HB2      LYS   7   0.248   0.534  -8.079
   45    HB3  LYS   7           HB1      LYS   7  -1.481   0.523  -7.781
   46    HG2  LYS   7           HG2      LYS   7  -1.228   2.734  -6.653
   47    HG3  LYS   7           HG1      LYS   7   0.458   2.744  -7.166
   48    HD2  LYS   7           HD2      LYS   7  -0.268   2.569  -9.513
   49    HD3  LYS   7           HD1      LYS   7  -1.949   2.585  -8.983
   50    HE2  LYS   7           HE2      LYS   7  -1.376   4.796  -9.717
   51    HE3  LYS   7           HE1      LYS   7  -1.539   4.818  -7.964
   52    HZ1  LYS   7           HZ1      LYS   7   0.393   6.052  -8.666
   53    HZ2  LYS   7           HZ2      LYS   7   0.988   4.716  -9.490
   54    HZ3  LYS   7           HZ3      LYS   7   0.911   4.682  -7.818
   55    H    CYS   8           H        CYS   8  -0.514   2.053  -4.327
   56    HA   CYS   8           HA       CYS   8  -3.297   1.305  -3.746
   57    HB2  CYS   8           HB2      CYS   8  -2.784   1.826  -1.351
   58    HB3  CYS   8           HB1      CYS   8  -2.199   0.291  -1.978
   59    H    SER   9           H        SER   9  -4.360   2.905  -2.283
   60    HA   SER   9           HA       SER   9  -3.696   5.539  -3.148
   61    HB2  SER   9           HB2      SER   9  -6.025   5.881  -2.239
   62    HB3  SER   9           HB1      SER   9  -5.870   5.021  -3.792
   63    HG   SER   9           HG       SER   9  -5.866   3.225  -1.759
   64    HA   HYP  10           HA       HYP  10  -1.473   6.323   0.535
   65    HB2  HYP  10           HB1      HYP  10  -1.010   8.420  -0.168
   66    HB3  HYP  10           HB2      HYP  10  -2.315   8.936   0.905
   67    HG   HYP  10           HG       HYP  10  -3.432   9.614  -0.985
   68   HD22  HYP  10          HD11      HYP  10  -4.010   7.386  -2.463
   69   HD23  HYP  10          HD12      HYP  10  -4.747   7.645  -0.871
   70    HD1  HYP  10           HD2      HYP  10  -2.650   8.474  -3.024
   71    H    SER  11           H        SER  11  -4.412   8.297   1.104
   72    HA   SER  11           HA       SER  11  -4.359   7.757   3.849
   73    HB2  SER  11           HB2      SER  11  -6.512   9.075   2.223
   74    HB3  SER  11           HB1      SER  11  -6.095   9.370   3.916
   75    HG   SER  11           HG       SER  11  -5.203  10.963   2.613
   76    H    MET  12           H        MET  12  -5.683   5.955   1.282
   77    HA   MET  12           HA       MET  12  -8.006   5.036   2.722
   78    HB2  MET  12           HB2      MET  12  -6.799   4.170   0.111
   79    HB3  MET  12           HB1      MET  12  -8.263   3.481   0.783
   80    HG2  MET  12           HG2      MET  12  -7.887   6.374   0.073
   81    HG3  MET  12           HG1      MET  12  -8.654   5.180  -0.963
   82    HE1  MET  12           HE1      MET  12 -11.832   4.230   1.192
   83    HE2  MET  12           HE2      MET  12 -10.265   3.439   1.258
   84    HE3  MET  12          3HE       MET  12 -10.942   3.922  -0.299
   85    H    ARG  13           H        ARG  13  -4.841   4.024   2.079
   86    HA   ARG  13           HA       ARG  13  -3.577   2.154   2.536
   87    HB2  ARG  13           HB2      ARG  13  -3.944   3.166   4.733
   88    HB3  ARG  13           HB1      ARG  13  -5.411   2.221   4.909
   89    HG2  ARG  13           HG2      ARG  13  -3.963   0.152   4.866
   90    HG3  ARG  13           HG1      ARG  13  -2.550   1.205   4.796
   91    HD2  ARG  13           HD2      ARG  13  -2.797   0.489   7.059
   92    HD3  ARG  13           HD1      ARG  13  -3.277   2.179   6.985
   93    HE   ARG  13           HE       ARG  13  -5.606   0.783   6.677
   94   HH11  ARG  13          HH11      ARG  13  -3.042   0.713   9.145
   95   HH12  ARG  13          HH12      ARG  13  -4.100   0.389  10.431
   96   HH21  ARG  13          HH21      ARG  13  -7.050   0.291   8.477
   97   HH22  ARG  13          HH22      ARG  13  -6.433   0.099  10.036
   98    H    ASP  14           H        ASP  14  -5.278   1.534   0.679
   99    HA   ASP  14           HA       ASP  14  -7.273  -0.394   1.362
  100    HB2  ASP  14           HB2      ASP  14  -7.696  -0.456  -1.062
  101    HB3  ASP  14           HB1      ASP  14  -7.730   1.169  -0.395
  102    H    CYS  15           H        CYS  15  -4.282  -0.896   1.548
  103    HA   CYS  15           HA       CYS  15  -3.989  -3.351   0.015
  104    HB2  CYS  15           HB2      CYS  15  -2.175  -2.146   2.088
  105    HB3  CYS  15           HB1      CYS  15  -1.776  -3.427   0.970
  106    H    CYS  16           H        CYS  16  -3.372  -5.328   1.184
  107    HA   CYS  16           HA       CYS  16  -5.166  -5.907   3.274
  108    HB2  CYS  16           HB2      CYS  16  -2.737  -7.441   2.351
  109    HB3  CYS  16           HB1      CYS  16  -4.007  -8.073   3.386
  110    H    THR  17           H        THR  17  -1.827  -4.990   3.167
  111    HA   THR  17           HA       THR  17  -1.498  -5.305   6.032
  112    HB   THR  17           HB       THR  17   0.876  -4.572   5.394
  113    HG1  THR  17           HG1      THR  17   1.239  -4.942   3.035
  114   HG21  THR  17          HG21      THR  17   0.261  -6.939   5.796
  115   HG22  THR  17          HG22      THR  17   1.433  -6.801   4.484
  116   HG23  THR  17          HG23      THR  17  -0.272  -7.078   4.120
  117    H    THR  18           H        THR  18  -0.189  -2.889   3.900
  118    HA   THR  18           HA       THR  18  -1.833  -0.771   4.694
  119    HB   THR  18           HB       THR  18  -0.360  -0.967   6.746
  120    HG1  THR  18           HG1      THR  18   0.195   1.298   6.726
  121   HG21  THR  18          HG21      THR  18   1.831  -0.118   4.835
  122   HG22  THR  18          HG22      THR  18   1.710  -1.693   5.613
  123   HG23  THR  18          HG23      THR  18   1.990  -0.248   6.590
  124    H    CYS  19           H        CYS  19  -0.711   1.288   3.835
  125    HA   CYS  19           HA       CYS  19   0.326   0.649   1.143
  126    HB2  CYS  19           HB2      CYS  19  -1.877   1.624   1.142
  127    HB3  CYS  19           HB1      CYS  19  -1.364   2.955   2.181
  128    H    ILE  20           H        ILE  20   2.346   1.110   1.000
  129    HA   ILE  20           HA       ILE  20   3.906   2.603   2.825
  130    HB   ILE  20           HB       ILE  20   4.510   1.902  -0.080
  131   HG12  ILE  20          HG12      ILE  20   5.017   0.284   2.435
  132   HG13  ILE  20          HG11      ILE  20   3.877  -0.087   1.172
  133   HG21  ILE  20          HG21      ILE  20   6.863   2.016   0.568
  134   HG22  ILE  20          HG22      ILE  20   6.400   2.472   2.202
  135   HG23  ILE  20          HG23      ILE  20   6.053   3.560   0.851
  136   HD11  ILE  20          HD11      ILE  20   6.860  -0.014   0.798
  137   HD12  ILE  20          HD12      ILE  20   5.668  -0.424  -0.433
  138   HD13  ILE  20          HD13      ILE  20   5.877  -1.466   0.975
  139    H    SER  21           H        SER  21   3.451   4.725   3.060
  140    HA   SER  21           HA       SER  21   2.059   6.270   1.161
  141    HB2  SER  21           HB2      SER  21   3.605   7.187   3.572
  142    HB3  SER  21           HB1      SER  21   2.330   8.085   2.742
  143    HG   SER  21           HG       SER  21   1.448   5.618   3.353
  144    H    TYR  22           H        TYR  22   5.393   5.637   1.510
  145    HA   TYR  22           HA       TYR  22   6.374   8.008   0.247
  146    HB2  TYR  22           HB2      TYR  22   7.705   6.487   1.746
  147    HB3  TYR  22           HB1      TYR  22   7.671   5.301   0.474
  148    HD1  TYR  22           HD1      TYR  22   9.095   5.439  -1.452
  149    HD2  TYR  22           HD2      TYR  22   9.032   8.609   1.387
  150    HE1  TYR  22           HE1      TYR  22  11.100   6.397  -2.483
  151    HE2  TYR  22           HE2      TYR  22  11.036   9.575   0.356
  152    HH   TYR  22           HH       TYR  22  12.957   8.750  -1.008
  153    H    THR  23           H        THR  23   6.073   4.671  -0.778
  154    HA   THR  23           HA       THR  23   6.654   5.366  -3.552
  155    HB   THR  23           HB       THR  23   6.191   2.604  -2.458
  156    HG1  THR  23           HG1      THR  23   8.793   3.488  -2.475
  157   HG21  THR  23          HG21      THR  23   6.524   2.860  -4.893
  158   HG22  THR  23          HG22      THR  23   7.883   2.018  -4.151
  159   HG23  THR  23          HG23      THR  23   8.035   3.718  -4.591
  160    H    LYS  24           H        LYS  24   3.872   4.619  -1.633
  161    HA   LYS  24           HA       LYS  24   1.738   4.265  -1.952
  162    HB2  LYS  24           HB2      LYS  24   2.058   4.873  -4.885
  163    HB3  LYS  24           HB1      LYS  24   0.606   4.882  -3.930
  164    HG2  LYS  24           HG2      LYS  24   2.870   6.818  -3.527
  165    HG3  LYS  24           HG1      LYS  24   1.358   7.175  -4.357
  166    HD2  LYS  24           HD2      LYS  24   0.121   6.673  -2.283
  167    HD3  LYS  24           HD1      LYS  24   1.649   6.342  -1.467
  168    HE2  LYS  24           HE2      LYS  24   0.952   8.568  -0.917
  169    HE3  LYS  24           HE1      LYS  24   2.364   8.646  -1.963
  170    HZ1  LYS  24           HZ1      LYS  24   0.720  10.253  -2.630
  171    HZ2  LYS  24           HZ2      LYS  24  -0.450   9.049  -2.797
  172    HZ3  LYS  24           HZ3      LYS  24   0.853   9.090  -3.849
  173    H    ARG  25           H        ARG  25   3.282   2.142  -1.844
  174    HA   ARG  25           HA       ARG  25   1.850   0.296  -3.593
  175    HB2  ARG  25           HB2      ARG  25   4.680   0.022  -2.648
  176    HB3  ARG  25           HB1      ARG  25   3.804  -1.226  -3.511
  177    HG2  ARG  25           HG2      ARG  25   4.668   1.465  -4.548
  178    HG3  ARG  25           HG1      ARG  25   5.290  -0.114  -5.025
  179    HD2  ARG  25           HD2      ARG  25   2.888  -0.642  -5.778
  180    HD3  ARG  25           HD1      ARG  25   2.593   1.051  -5.492
  181    HE   ARG  25           HE       ARG  25   4.326   1.576  -7.078
  182   HH11  ARG  25          HH11      ARG  25   2.965  -1.703  -7.294
  183   HH12  ARG  25          HH12      ARG  25   3.112  -1.748  -8.997
  184   HH21  ARG  25          HH21      ARG  25   4.553   1.416  -9.371
  185   HH22  ARG  25          HH22      ARG  25   4.037   0.010 -10.190
  186    H    CYS  26           H        CYS  26   1.769  -1.876  -2.608
  187    HA   CYS  26           HA       CYS  26   0.937  -1.538   0.125
  188    HB2  CYS  26           HB2      CYS  26   0.724  -3.879  -1.749
  189    HB3  CYS  26           HB1      CYS  26   0.029  -3.818  -0.132
  190    H    ARG  27           H        ARG  27   1.861  -2.328   1.828
  191    HA   ARG  27           HA       ARG  27   4.595  -3.122   1.782
  192    HB2  ARG  27           HB2      ARG  27   3.239  -1.878   3.612
  193    HB3  ARG  27           HB1      ARG  27   2.667  -3.458   4.057
  194    HG2  ARG  27           HG2      ARG  27   4.914  -4.227   4.514
  195    HG3  ARG  27           HG1      ARG  27   5.557  -2.648   4.048
  196    HD2  ARG  27           HD2      ARG  27   4.271  -1.618   5.865
  197    HD3  ARG  27           HD1      ARG  27   3.674  -3.213   6.323
  198    HE   ARG  27           HE       ARG  27   6.533  -2.923   6.226
  199   HH11  ARG  27          HH11      ARG  27   3.638  -2.870   8.274
  200   HH12  ARG  27          HH12      ARG  27   4.488  -3.026   9.736
  201   HH21  ARG  27          HH21      ARG  27   7.711  -3.124   8.246
  202   HH22  ARG  27          HH22      ARG  27   6.864  -3.169   9.713
  203    H    LYS  28           H        LYS  28   5.359  -5.206   2.714
  204    HA   LYS  28           HA       LYS  28   3.766  -7.455   1.794
  205    HB2  LYS  28           HB2      LYS  28   6.397  -7.490   3.235
  206    HB3  LYS  28           HB1      LYS  28   5.659  -8.787   2.366
  207    HG2  LYS  28           HG2      LYS  28   5.907  -7.607   0.248
  208    HG3  LYS  28           HG1      LYS  28   6.678  -6.266   1.088
  209    HD2  LYS  28           HD2      LYS  28   7.769  -9.061   1.288
  210    HD3  LYS  28           HD1      LYS  28   8.157  -8.021  -0.074
  211    HE2  LYS  28           HE2      LYS  28   9.907  -7.952   1.637
  212    HE3  LYS  28           HE1      LYS  28   9.153  -6.378   1.437
  213    HZ1  LYS  28           HZ1      LYS  28   7.963  -6.716   3.484
  214    HZ2  LYS  28           HZ2      LYS  28   9.583  -7.014   3.765
  215    HZ3  LYS  28           HZ3      LYS  28   8.522  -8.293   3.642
  216    H    TYR  29           H        TYR  29   3.903  -9.331   3.299
  217    HA   TYR  29           HA       TYR  29   2.522  -8.657   5.728
  218    HB2  TYR  29           HB2      TYR  29   3.408 -11.228   4.459
  219    HB3  TYR  29           HB1      TYR  29   2.802 -11.214   6.104
  220    HD1  TYR  29           HD1      TYR  29   0.493 -11.148   6.514
  221    HD2  TYR  29           HD2      TYR  29   1.885 -10.395   2.569
  222    HE1  TYR  29           HE1      TYR  29  -1.800 -11.245   5.706
  223    HE2  TYR  29           HE2      TYR  29  -0.419 -10.486   1.736
  224    HH   TYR  29           HH       TYR  29  -3.140 -10.556   3.900
  225    H    TYR  30           H        TYR  30   5.530 -10.254   4.930
  226    HA   TYR  30           HA       TYR  30   6.632  -9.176   7.351
  227    HB2  TYR  30           HB2      TYR  30   7.287 -11.833   6.040
  228    HB3  TYR  30           HB1      TYR  30   8.150 -11.144   7.411
  229    HD1  TYR  30           HD1      TYR  30   6.738 -10.582   9.494
  230    HD2  TYR  30           HD2      TYR  30   5.439 -13.228   6.433
  231    HE1  TYR  30           HE1      TYR  30   5.110 -11.544  11.034
  232    HE2  TYR  30           HE2      TYR  30   3.799 -14.209   7.978
  233    HH   TYR  30           HH       TYR  30   3.481 -14.415  10.467
  Start of MODEL    3
    1    H1   CYS   1           HT1      CYS   1  -8.792  -6.970  -1.125
    2    H2   CYS   1           HT2      CYS   1  -9.332  -5.675  -2.079
    3    H3   CYS   1           HT3      CYS   1  -9.756  -5.742  -0.458
    4    HA   CYS   1           HA       CYS   1  -8.056  -4.147  -0.902
    5    HB2  CYS   1           HB2      CYS   1  -6.376  -5.028   0.739
    6    HB3  CYS   1           HB1      CYS   1  -8.037  -5.010   1.300
    7    H    LYS   2           H        LYS   2  -5.857  -3.771  -1.289
    8    HA   LYS   2           HA       LYS   2  -4.940  -5.099  -3.671
    9    HB2  LYS   2           HB2      LYS   2  -3.570  -2.957  -2.029
   10    HB3  LYS   2           HB1      LYS   2  -3.172  -3.452  -3.654
   11    HG2  LYS   2           HG2      LYS   2  -5.757  -2.148  -2.871
   12    HG3  LYS   2           HG1      LYS   2  -4.349  -1.313  -3.516
   13    HD2  LYS   2           HD2      LYS   2  -4.492  -2.684  -5.555
   14    HD3  LYS   2           HD1      LYS   2  -5.956  -3.444  -4.910
   15    HE2  LYS   2           HE2      LYS   2  -6.438  -1.626  -6.505
   16    HE3  LYS   2           HE1      LYS   2  -7.097  -1.323  -4.896
   17    HZ1  LYS   2           HZ1      LYS   2  -4.518  -0.193  -5.850
   18    HZ2  LYS   2           HZ2      LYS   2  -5.408   0.236  -4.447
   19    HZ3  LYS   2           HZ3      LYS   2  -6.001   0.612  -5.964
   20    HA   PRO   3           HA       PRO   3  -2.266  -7.857  -1.343
   21    HB2  PRO   3           HB2      PRO   3  -0.888  -8.898  -3.440
   22    HB3  PRO   3           HB1      PRO   3  -2.566  -9.352  -3.113
   23    HG2  PRO   3           HG2      PRO   3  -1.491  -7.386  -5.102
   24    HG3  PRO   3           HG1      PRO   3  -2.773  -8.592  -5.301
   25    HD2  PRO   3           HD2      PRO   3  -3.257  -5.955  -4.832
   26    HD3  PRO   3           HD1      PRO   3  -4.352  -7.255  -4.314
   27    HA   HYP   4           HA       HYP   4   1.558  -5.694  -0.635
   28    HB2  HYP   4           HB1      HYP   4   3.144  -7.169   0.191
   29    HB3  HYP   4           HB2      HYP   4   2.916  -8.314  -1.137
   30    HG   HYP   4           HG       HYP   4   1.727  -9.280   0.726
   31   HD22  HYP   4          HD11      HYP   4  -0.725  -8.428  -0.004
   32   HD23  HYP   4          HD12      HYP   4   0.255  -9.338  -1.170
   33    HD1  HYP   4           HD2      HYP   4   1.676  -6.903   1.580
   34    H    GLY   5           H        GLY   5   2.769  -4.446  -1.891
   35    HA2  GLY   5           HA2      GLY   5   4.280  -3.949  -3.586
   36    HA3  GLY   5           HA1      GLY   5   3.918  -5.493  -4.334
   37    H    SER   6           H        SER   6   0.954  -4.648  -3.945
   38    HA   SER   6           HA       SER   6   0.620  -3.543  -6.534
   39    HB2  SER   6           HB2      SER   6  -1.159  -4.784  -5.863
   40    HB3  SER   6           HB1      SER   6  -1.316  -3.973  -4.263
   41    HG   SER   6           HG       SER   6  -2.197  -2.209  -5.479
   42    H    LYS   7           H        LYS   7  -0.698  -1.790  -6.749
   43    HA   LYS   7           HA       LYS   7   0.662   0.541  -5.551
   44    HB2  LYS   7           HB2      LYS   7  -1.409   0.553  -7.775
   45    HB3  LYS   7           HB1      LYS   7  -0.484   1.944  -7.236
   46    HG2  LYS   7           HG2      LYS   7   1.591   0.764  -7.976
   47    HG3  LYS   7           HG1      LYS   7   0.563  -0.502  -8.652
   48    HD2  LYS   7           HD2      LYS   7   0.488   2.420  -9.430
   49    HD3  LYS   7           HD1      LYS   7   1.295   1.157 -10.345
   50    HE2  LYS   7           HE2      LYS   7  -0.816   0.056 -10.774
   51    HE3  LYS   7           HE1      LYS   7  -1.659   1.187  -9.723
   52    HZ1  LYS   7           HZ1      LYS   7  -1.945   1.773 -12.033
   53    HZ2  LYS   7           HZ2      LYS   7  -0.268   1.925 -12.247
   54    HZ3  LYS   7           HZ3      LYS   7  -1.084   2.965 -11.210
   55    H    CYS   8           H        CYS   8  -0.411   2.012  -4.265
   56    HA   CYS   8           HA       CYS   8  -3.195   1.321  -3.642
   57    HB2  CYS   8           HB2      CYS   8  -2.698   1.643  -1.275
   58    HB3  CYS   8           HB1      CYS   8  -1.988   0.198  -1.970
   59    H    SER   9           H        SER   9  -4.077   2.880  -1.929
   60    HA   SER   9           HA       SER   9  -3.752   5.525  -2.947
   61    HB2  SER   9           HB2      SER   9  -5.677   4.328  -1.046
   62    HB3  SER   9           HB1      SER   9  -5.869   5.794  -1.979
   63    HG   SER   9           HG       SER   9  -5.749   3.145  -2.996
   64    HA   HYP  10           HA       HYP  10  -0.863   6.230   0.439
   65    HB2  HYP  10           HB1      HYP  10  -0.129   7.775  -1.070
   66    HB3  HYP  10           HB2      HYP  10  -0.871   8.915   0.060
   67    HG   HYP  10           HG       HYP  10  -2.342   9.473  -1.712
   68   HD22  HYP  10          HD11      HYP  10  -3.843   7.336  -2.250
   69   HD23  HYP  10          HD12      HYP  10  -3.900   8.026  -0.603
   70    HD1  HYP  10           HD2      HYP  10  -2.017   7.107  -2.953
   71    H    SER  11           H        SER  11  -3.689   6.062   1.418
   72    HA   SER  11           HA       SER  11  -3.538   7.552   3.828
   73    HB2  SER  11           HB2      SER  11  -4.072   9.479   2.448
   74    HB3  SER  11           HB1      SER  11  -5.397   8.601   1.695
   75    HG   SER  11           HG       SER  11  -5.417  10.102   3.871
   76    H    MET  12           H        MET  12  -5.760   6.164   1.461
   77    HA   MET  12           HA       MET  12  -7.764   5.526   3.367
   78    HB2  MET  12           HB2      MET  12  -7.445   4.497   0.551
   79    HB3  MET  12           HB1      MET  12  -8.887   4.338   1.532
   80    HG2  MET  12           HG2      MET  12  -7.674   6.904   0.523
   81    HG3  MET  12           HG1      MET  12  -9.137   6.125  -0.075
   82    HE1  MET  12           HE1      MET  12 -11.591   6.595   2.941
   83    HE2  MET  12           HE2      MET  12 -10.549   5.195   2.666
   84    HE3  MET  12          3HE       MET  12 -11.392   5.957   1.306
   85    H    ARG  13           H        ARG  13  -4.968   3.974   2.454
   86    HA   ARG  13           HA       ARG  13  -4.075   1.908   2.641
   87    HB2  ARG  13           HB2      ARG  13  -4.093   2.493   4.951
   88    HB3  ARG  13           HB1      ARG  13  -5.788   2.043   5.089
   89    HG2  ARG  13           HG2      ARG  13  -5.115  -0.332   4.713
   90    HG3  ARG  13           HG1      ARG  13  -3.428   0.179   4.627
   91    HD2  ARG  13           HD2      ARG  13  -5.240   0.533   7.009
   92    HD3  ARG  13           HD1      ARG  13  -4.045  -0.748   6.828
   93    HE   ARG  13           HE       ARG  13  -2.681   1.617   6.474
   94   HH11  ARG  13          HH11      ARG  13  -4.656   0.264   9.104
   95   HH12  ARG  13          HH12      ARG  13  -3.738   0.977  10.334
   96   HH21  ARG  13          HH21      ARG  13  -1.423   2.600   8.199
   97   HH22  ARG  13          HH22      ARG  13  -1.855   2.312   9.812
   98    H    ASP  14           H        ASP  14  -5.225   1.361   0.703
   99    HA   ASP  14           HA       ASP  14  -7.519  -0.340   1.029
  100    HB2  ASP  14           HB2      ASP  14  -7.546  -0.268  -1.493
  101    HB3  ASP  14           HB1      ASP  14  -7.749   1.285  -0.706
  102    H    CYS  15           H        CYS  15  -4.398  -0.781   1.333
  103    HA   CYS  15           HA       CYS  15  -4.116  -3.288  -0.101
  104    HB2  CYS  15           HB2      CYS  15  -2.339  -2.242   2.098
  105    HB3  CYS  15           HB1      CYS  15  -1.981  -3.460   0.912
  106    H    CYS  16           H        CYS  16  -3.851  -5.288   0.912
  107    HA   CYS  16           HA       CYS  16  -5.628  -5.870   2.992
  108    HB2  CYS  16           HB2      CYS  16  -3.269  -7.463   1.990
  109    HB3  CYS  16           HB1      CYS  16  -4.598  -8.096   2.947
  110    H    THR  17           H        THR  17  -2.185  -5.194   2.955
  111    HA   THR  17           HA       THR  17  -1.958  -5.696   5.804
  112    HB   THR  17           HB       THR  17   0.477  -5.150   5.323
  113    HG1  THR  17           HG1      THR  17   1.089  -5.147   3.099
  114   HG21  THR  17          HG21      THR  17   0.913  -7.349   4.283
  115   HG22  THR  17          HG22      THR  17  -0.780  -7.456   3.808
  116   HG23  THR  17          HG23      THR  17  -0.340  -7.475   5.514
  117    H    THR  18           H        THR  18  -0.382  -3.318   3.869
  118    HA   THR  18           HA       THR  18  -1.496  -1.012   5.237
  119    HB   THR  18           HB       THR  18   1.440  -1.784   5.407
  120    HG1  THR  18           HG1      THR  18  -0.652  -2.337   7.023
  121   HG21  THR  18          HG21      THR  18   1.113   0.646   5.285
  122   HG22  THR  18          HG22      THR  18   1.733   0.136   6.850
  123   HG23  THR  18          HG23      THR  18   0.027   0.577   6.683
  124    H    CYS  19           H        CYS  19  -0.982   0.883   3.972
  125    HA   CYS  19           HA       CYS  19   0.193   0.383   1.318
  126    HB2  CYS  19           HB2      CYS  19  -2.067   1.319   1.248
  127    HB3  CYS  19           HB1      CYS  19  -1.620   2.570   2.401
  128    H    ILE  20           H        ILE  20   2.093   1.284   0.908
  129    HA   ILE  20           HA       ILE  20   3.287   2.976   2.953
  130    HB   ILE  20           HB       ILE  20   4.509   1.695   0.485
  131   HG12  ILE  20          HG12      ILE  20   3.813  -0.035   2.064
  132   HG13  ILE  20          HG11      ILE  20   5.568   0.088   2.055
  133   HG21  ILE  20          HG21      ILE  20   5.740   3.675   1.174
  134   HG22  ILE  20          HG22      ILE  20   6.683   2.219   1.495
  135   HG23  ILE  20          HG23      ILE  20   5.865   3.044   2.817
  136   HD11  ILE  20          HD11      ILE  20   5.436   1.396   4.132
  137   HD12  ILE  20          HD12      ILE  20   4.750  -0.221   4.295
  138   HD13  ILE  20          HD13      ILE  20   3.686   1.178   4.140
  139    H    SER  21           H        SER  21   2.509   4.976   2.639
  140    HA   SER  21           HA       SER  21   1.637   6.072   0.238
  141    HB2  SER  21           HB2      SER  21   2.458   7.496   2.759
  142    HB3  SER  21           HB1      SER  21   1.365   8.087   1.503
  143    HG   SER  21           HG       SER  21   0.563   6.866   3.553
  144    H    TYR  22           H        TYR  22   4.828   5.739   1.310
  145    HA   TYR  22           HA       TYR  22   6.020   8.014   0.110
  146    HB2  TYR  22           HB2      TYR  22   7.113   6.455   1.729
  147    HB3  TYR  22           HB1      TYR  22   7.172   5.253   0.469
  148    HD1  TYR  22           HD1      TYR  22   8.288   8.763   1.079
  149    HD2  TYR  22           HD2      TYR  22   9.092   5.047  -0.833
  150    HE1  TYR  22           HE1      TYR  22  10.451   9.624   0.326
  151    HE2  TYR  22           HE2      TYR  22  11.255   5.899  -1.593
  152    HH   TYR  22           HH       TYR  22  12.382   7.979  -1.990
  153    H    THR  23           H        THR  23   5.746   4.717  -0.990
  154    HA   THR  23           HA       THR  23   6.314   5.618  -3.727
  155    HB   THR  23           HB       THR  23   7.855   3.928  -2.903
  156    HG1  THR  23           HG1      THR  23   7.843   2.635  -4.601
  157   HG21  THR  23          HG21      THR  23   5.439   2.156  -2.523
  158   HG22  THR  23          HG22      THR  23   6.455   2.827  -1.249
  159   HG23  THR  23          HG23      THR  23   7.119   1.636  -2.367
  160    H    LYS  24           H        LYS  24   3.686   4.715  -1.830
  161    HA   LYS  24           HA       LYS  24   1.626   4.148  -2.094
  162    HB2  LYS  24           HB2      LYS  24   1.973   5.025  -4.961
  163    HB3  LYS  24           HB1      LYS  24   0.512   4.413  -4.285
  164    HG2  LYS  24           HG2      LYS  24   0.420   6.859  -4.346
  165    HG3  LYS  24           HG1      LYS  24   0.288   6.220  -2.721
  166    HD2  LYS  24           HD2      LYS  24   1.666   8.187  -2.681
  167    HD3  LYS  24           HD1      LYS  24   2.689   6.789  -2.378
  168    HE2  LYS  24           HE2      LYS  24   3.513   6.844  -4.628
  169    HE3  LYS  24           HE1      LYS  24   2.382   8.132  -5.062
  170    HZ1  LYS  24           HZ1      LYS  24   4.572   9.010  -4.665
  171    HZ2  LYS  24           HZ2      LYS  24   4.643   8.377  -3.106
  172    HZ3  LYS  24           HZ3      LYS  24   3.513   9.580  -3.503
  173    H    ARG  25           H        ARG  25   3.149   2.158  -1.872
  174    HA   ARG  25           HA       ARG  25   1.869   0.173  -3.565
  175    HB2  ARG  25           HB2      ARG  25   4.727   0.031  -2.671
  176    HB3  ARG  25           HB1      ARG  25   3.880  -1.248  -3.491
  177    HG2  ARG  25           HG2      ARG  25   4.653   1.424  -4.665
  178    HG3  ARG  25           HG1      ARG  25   5.354  -0.149  -5.049
  179    HD2  ARG  25           HD2      ARG  25   2.921  -0.790  -5.768
  180    HD3  ARG  25           HD1      ARG  25   2.654   0.919  -5.649
  181    HE   ARG  25           HE       ARG  25   4.296   1.341  -7.314
  182   HH11  ARG  25          HH11      ARG  25   3.292  -2.088  -7.131
  183   HH12  ARG  25          HH12      ARG  25   3.486  -2.365  -8.791
  184   HH21  ARG  25          HH21      ARG  25   4.571   0.907  -9.597
  185   HH22  ARG  25          HH22      ARG  25   4.240  -0.650 -10.224
  186    H    CYS  26           H        CYS  26   1.769  -1.861  -2.514
  187    HA   CYS  26           HA       CYS  26   1.014  -1.469   0.225
  188    HB2  CYS  26           HB2      CYS  26   0.780  -3.885  -1.546
  189    HB3  CYS  26           HB1      CYS  26   0.063  -3.720   0.062
  190    H    ARG  27           H        ARG  27   1.830  -2.280   1.947
  191    HA   ARG  27           HA       ARG  27   4.572  -2.906   2.184
  192    HB2  ARG  27           HB2      ARG  27   2.803  -1.900   3.831
  193    HB3  ARG  27           HB1      ARG  27   2.508  -3.562   4.221
  194    HG2  ARG  27           HG2      ARG  27   4.739  -3.934   4.940
  195    HG3  ARG  27           HG1      ARG  27   5.235  -2.311   4.448
  196    HD2  ARG  27           HD2      ARG  27   3.617  -1.408   6.059
  197    HD3  ARG  27           HD1      ARG  27   3.266  -3.044   6.611
  198    HE   ARG  27           HE       ARG  27   5.945  -1.835   6.758
  199   HH11  ARG  27          HH11      ARG  27   3.446  -3.866   8.226
  200   HH12  ARG  27          HH12      ARG  27   4.233  -3.961   9.726
  201   HH21  ARG  27          HH21      ARG  27   7.010  -1.999   8.767
  202   HH22  ARG  27          HH22      ARG  27   6.331  -2.900  10.048
  203    H    LYS  28           H        LYS  28   5.494  -4.877   3.035
  204    HA   LYS  28           HA       LYS  28   4.193  -7.292   2.004
  205    HB2  LYS  28           HB2      LYS  28   6.889  -7.082   3.275
  206    HB3  LYS  28           HB1      LYS  28   6.314  -8.266   2.122
  207    HG2  LYS  28           HG2      LYS  28   6.249  -6.563   0.370
  208    HG3  LYS  28           HG1      LYS  28   6.870  -5.380   1.509
  209    HD2  LYS  28           HD2      LYS  28   8.901  -6.759   1.796
  210    HD3  LYS  28           HD1      LYS  28   8.278  -7.875   0.571
  211    HE2  LYS  28           HE2      LYS  28   8.922  -4.951   0.156
  212    HE3  LYS  28           HE1      LYS  28   9.886  -6.315  -0.401
  213    HZ1  LYS  28           HZ1      LYS  28   8.044  -6.996  -1.787
  214    HZ2  LYS  28           HZ2      LYS  28   8.515  -5.425  -2.161
  215    HZ3  LYS  28           HZ3      LYS  28   7.112  -5.692  -1.262
  216    H    TYR  29           H        TYR  29   4.736  -9.210   3.430
  217    HA   TYR  29           HA       TYR  29   3.305  -8.740   5.858
  218    HB2  TYR  29           HB2      TYR  29   4.367 -11.226   4.571
  219    HB3  TYR  29           HB1      TYR  29   3.660 -11.252   6.172
  220    HD1  TYR  29           HD1      TYR  29   1.263 -10.577   6.436
  221    HD2  TYR  29           HD2      TYR  29   3.021 -11.092   2.600
  222    HE1  TYR  29           HE1      TYR  29  -0.962 -10.696   5.445
  223    HE2  TYR  29           HE2      TYR  29   0.800 -11.215   1.591
  224    HH   TYR  29           HH       TYR  29  -2.069 -10.430   3.371
  225    H    TYR  30           H        TYR  30   6.478 -10.251   5.253
  226    HA   TYR  30           HA       TYR  30   7.225  -9.273   7.863
  227    HB2  TYR  30           HB2      TYR  30   8.042 -11.903   6.631
  228    HB3  TYR  30           HB1      TYR  30   8.506 -11.304   8.217
  229    HD1  TYR  30           HD1      TYR  30   6.118 -13.203   6.379
  230    HD2  TYR  30           HD2      TYR  30   6.610 -10.893   9.908
  231    HE1  TYR  30           HE1      TYR  30   4.119 -14.240   7.324
  232    HE2  TYR  30           HE2      TYR  30   4.620 -11.930  10.873
  233    HH   TYR  30           HH       TYR  30   2.576 -13.043  10.076
  Start of MODEL    4
    1    H1   CYS   1           HT1      CYS   1  -8.625  -7.308  -0.721
    2    H2   CYS   1           HT2      CYS   1  -9.383  -6.095  -1.589
    3    H3   CYS   1           HT3      CYS   1  -9.566  -6.180   0.079
    4    HA   CYS   1           HA       CYS   1  -8.023  -4.422  -0.577
    5    HB2  CYS   1           HB2      CYS   1  -6.150  -5.177   0.896
    6    HB3  CYS   1           HB1      CYS   1  -7.744  -5.312   1.616
    7    H    LYS   2           H        LYS   2  -5.769  -4.014  -1.117
    8    HA   LYS   2           HA       LYS   2  -5.031  -5.431  -3.540
    9    HB2  LYS   2           HB2      LYS   2  -3.591  -3.155  -2.161
   10    HB3  LYS   2           HB1      LYS   2  -3.264  -3.777  -3.760
   11    HG2  LYS   2           HG2      LYS   2  -5.732  -2.323  -2.877
   12    HG3  LYS   2           HG1      LYS   2  -4.429  -1.682  -3.871
   13    HD2  LYS   2           HD2      LYS   2  -4.977  -3.469  -5.550
   14    HD3  LYS   2           HD1      LYS   2  -6.412  -3.835  -4.585
   15    HE2  LYS   2           HE2      LYS   2  -5.733  -1.243  -5.959
   16    HE3  LYS   2           HE1      LYS   2  -7.073  -2.327  -6.324
   17    HZ1  LYS   2           HZ1      LYS   2  -7.858  -0.447  -5.080
   18    HZ2  LYS   2           HZ2      LYS   2  -6.698  -0.675  -3.896
   19    HZ3  LYS   2           HZ3      LYS   2  -7.949  -1.802  -4.060
   20    HA   PRO   3           HA       PRO   3  -2.102  -8.035  -1.405
   21    HB2  PRO   3           HB2      PRO   3  -0.743  -8.946  -3.569
   22    HB3  PRO   3           HB1      PRO   3  -2.386  -9.486  -3.202
   23    HG2  PRO   3           HG2      PRO   3  -1.477  -7.385  -5.133
   24    HG3  PRO   3           HG1      PRO   3  -2.666  -8.681  -5.378
   25    HD2  PRO   3           HD2      PRO   3  -3.389  -6.142  -4.815
   26    HD3  PRO   3           HD1      PRO   3  -4.321  -7.543  -4.246
   27    HA   HYP   4           HA       HYP   4   1.561  -5.599  -0.795
   28    HB2  HYP   4           HB1      HYP   4   3.141  -6.921   0.203
   29    HB3  HYP   4           HB2      HYP   4   3.143  -8.087  -1.132
   30    HG   HYP   4           HG       HYP   4   1.952  -9.204   0.639
   31   HD22  HYP   4          HD11      HYP   4  -0.493  -8.740  -0.293
   32   HD23  HYP   4          HD12      HYP   4   0.726  -9.343  -1.441
   33    HD1  HYP   4           HD2      HYP   4   1.477  -6.796   1.429
   34    H    GLY   5           H        GLY   5   2.716  -4.384  -2.103
   35    HA2  GLY   5           HA2      GLY   5   4.265  -4.007  -3.827
   36    HA3  GLY   5           HA1      GLY   5   3.770  -5.520  -4.566
   37    H    SER   6           H        SER   6   0.903  -4.645  -4.109
   38    HA   SER   6           HA       SER   6   0.580  -3.392  -6.627
   39    HB2  SER   6           HB2      SER   6  -1.224  -4.668  -6.098
   40    HB3  SER   6           HB1      SER   6  -1.387  -4.002  -4.430
   41    HG   SER   6           HG       SER   6  -2.289  -2.164  -5.414
   42    H    LYS   7           H        LYS   7  -0.752  -1.637  -6.736
   43    HA   LYS   7           HA       LYS   7   0.604   0.628  -5.432
   44    HB2  LYS   7           HB2      LYS   7   0.221   0.806  -7.883
   45    HB3  LYS   7           HB1      LYS   7  -1.517   0.725  -7.606
   46    HG2  LYS   7           HG2      LYS   7  -1.383   2.834  -6.320
   47    HG3  LYS   7           HG1      LYS   7   0.338   2.920  -6.678
   48    HD2  LYS   7           HD2      LYS   7  -0.907   4.364  -8.187
   49    HD3  LYS   7           HD1      LYS   7  -0.189   3.025  -9.075
   50    HE2  LYS   7           HE2      LYS   7  -2.479   3.481  -9.802
   51    HE3  LYS   7           HE1      LYS   7  -2.329   1.870  -9.117
   52    HZ1  LYS   7           HZ1      LYS   7  -3.316   2.696  -7.060
   53    HZ2  LYS   7           HZ2      LYS   7  -4.316   2.970  -8.358
   54    HZ3  LYS   7           HZ3      LYS   7  -3.450   4.249  -7.702
   55    H    CYS   8           H        CYS   8  -0.447   2.080  -4.140
   56    HA   CYS   8           HA       CYS   8  -3.232   1.441  -3.400
   57    HB2  CYS   8           HB2      CYS   8  -2.540   1.812  -1.047
   58    HB3  CYS   8           HB1      CYS   8  -2.045   0.295  -1.784
   59    H    SER   9           H        SER   9  -4.063   3.037  -1.746
   60    HA   SER   9           HA       SER   9  -3.243   5.680  -2.446
   61    HB2  SER   9           HB2      SER   9  -5.364   6.206  -1.428
   62    HB3  SER   9           HB1      SER   9  -5.515   5.251  -2.926
   63    HG   SER   9           HG       SER   9  -5.746   3.389  -1.385
   64    HA   HYP  10           HA       HYP  10  -1.669   5.783   1.743
   65    HB2  HYP  10           HB1      HYP  10  -0.096   7.374   1.274
   66    HB3  HYP  10           HB2      HYP  10  -1.298   8.624   1.598
   67    HG   HYP  10           HG       HYP  10  -0.930   9.001  -0.736
   68   HD22  HYP  10          HD11      HYP  10  -2.692   7.436  -1.859
   69   HD23  HYP  10          HD12      HYP  10  -3.270   8.387  -0.460
   70    HD1  HYP  10           HD2      HYP  10  -1.023   6.417  -1.421
   71    H    SER  11           H        SER  11  -4.561   6.985   0.857
   72    HA   SER  11           HA       SER  11  -5.199   8.407   3.295
   73    HB2  SER  11           HB2      SER  11  -7.307   8.799   1.881
   74    HB3  SER  11           HB1      SER  11  -5.803   9.568   1.352
   75    HG   SER  11           HG       SER  11  -6.962   8.452  -0.337
   76    H    MET  12           H        MET  12  -6.624   5.925   1.189
   77    HA   MET  12           HA       MET  12  -8.467   5.099   3.242
   78    HB2  MET  12           HB2      MET  12  -8.018   4.001   0.468
   79    HB3  MET  12           HB1      MET  12  -9.357   3.584   1.526
   80    HG2  MET  12           HG2      MET  12 -10.163   5.870   1.439
   81    HG3  MET  12           HG1      MET  12  -8.791   6.334   0.440
   82    HE1  MET  12           HE1      MET  12 -11.823   6.539  -2.053
   83    HE2  MET  12           HE2      MET  12 -10.466   7.410  -1.339
   84    HE3  MET  12          3HE       MET  12 -11.835   6.939  -0.335
   85    H    ARG  13           H        ARG  13  -5.474   4.125   2.082
   86    HA   ARG  13           HA       ARG  13  -4.146   2.314   2.214
   87    HB2  ARG  13           HB2      ARG  13  -4.090   3.009   4.530
   88    HB3  ARG  13           HB1      ARG  13  -5.583   2.128   4.823
   89    HG2  ARG  13           HG2      ARG  13  -4.301   0.017   4.273
   90    HG3  ARG  13           HG1      ARG  13  -2.843   1.010   4.188
   91    HD2  ARG  13           HD2      ARG  13  -2.958  -0.041   6.352
   92    HD3  ARG  13           HD1      ARG  13  -3.215   1.690   6.524
   93    HE   ARG  13           HE       ARG  13  -5.533  -0.061   6.341
   94   HH11  ARG  13          HH11      ARG  13  -3.508   2.108   8.265
   95   HH12  ARG  13          HH12      ARG  13  -4.509   2.110   9.627
   96   HH21  ARG  13          HH21      ARG  13  -6.970  -0.051   8.245
   97   HH22  ARG  13          HH22      ARG  13  -6.519   0.836   9.623
   98    H    ASP  14           H        ASP  14  -5.299   1.418   0.472
   99    HA   ASP  14           HA       ASP  14  -7.417  -0.437   1.027
  100    HB2  ASP  14           HB2      ASP  14  -7.545  -0.551  -1.470
  101    HB3  ASP  14           HB1      ASP  14  -7.779   1.049  -0.778
  102    H    CYS  15           H        CYS  15  -4.381  -0.817   1.460
  103    HA   CYS  15           HA       CYS  15  -3.931  -3.291  -0.009
  104    HB2  CYS  15           HB2      CYS  15  -2.252  -2.123   2.194
  105    HB3  CYS  15           HB1      CYS  15  -1.807  -3.350   1.038
  106    H    CYS  16           H        CYS  16  -3.505  -5.267   1.053
  107    HA   CYS  16           HA       CYS  16  -5.267  -5.941   3.132
  108    HB2  CYS  16           HB2      CYS  16  -2.821  -7.388   2.144
  109    HB3  CYS  16           HB1      CYS  16  -4.123  -8.098   3.085
  110    H    THR  17           H        THR  17  -1.886  -5.038   3.084
  111    HA   THR  17           HA       THR  17  -1.672  -5.372   5.958
  112    HB   THR  17           HB       THR  17   0.742  -4.688   5.448
  113    HG1  THR  17           HG1      THR  17   1.260  -4.924   3.143
  114   HG21  THR  17          HG21      THR  17  -0.358  -7.141   4.039
  115   HG22  THR  17          HG22      THR  17   0.081  -7.055   5.748
  116   HG23  THR  17          HG23      THR  17   1.324  -6.899   4.512
  117    H    THR  18           H        THR  18  -0.163  -2.944   3.952
  118    HA   THR  18           HA       THR  18  -1.823  -0.811   4.684
  119    HB   THR  18           HB       THR  18  -0.498  -1.103   6.827
  120    HG1  THR  18           HG1      THR  18  -0.475   1.002   7.074
  121   HG21  THR  18          HG21      THR  18   1.838  -0.326   5.068
  122   HG22  THR  18          HG22      THR  18   1.617  -1.878   5.874
  123   HG23  THR  18          HG23      THR  18   1.880  -0.417   6.828
  124    H    CYS  19           H        CYS  19  -0.453   1.254   3.994
  125    HA   CYS  19           HA       CYS  19   0.553   0.581   1.296
  126    HB2  CYS  19           HB2      CYS  19  -1.618   1.688   1.289
  127    HB3  CYS  19           HB1      CYS  19  -1.001   2.987   2.302
  128    H    ILE  20           H        ILE  20   2.572   1.235   0.912
  129    HA   ILE  20           HA       ILE  20   3.984   2.847   2.834
  130    HB   ILE  20           HB       ILE  20   4.936   1.921   0.100
  131   HG12  ILE  20          HG12      ILE  20   5.014   0.399   2.728
  132   HG13  ILE  20          HG11      ILE  20   4.119  -0.019   1.298
  133   HG21  ILE  20          HG21      ILE  20   7.167   2.069   1.134
  134   HG22  ILE  20          HG22      ILE  20   6.432   2.622   2.636
  135   HG23  ILE  20          HG23      ILE  20   6.325   3.617   1.183
  136   HD11  ILE  20          HD11      ILE  20   7.121   0.053   1.430
  137   HD12  ILE  20          HD12      ILE  20   6.147  -0.419   0.038
  138   HD13  ILE  20          HD13      ILE  20   6.123  -1.399   1.505
  139    H    SER  21           H        SER  21   3.146   4.866   2.736
  140    HA   SER  21           HA       SER  21   1.897   6.147   0.713
  141    HB2  SER  21           HB2      SER  21   3.519   7.410   2.900
  142    HB3  SER  21           HB1      SER  21   2.134   8.121   2.062
  143    HG   SER  21           HG       SER  21   1.283   7.254   3.885
  144    H    TYR  22           H        TYR  22   5.374   5.984   1.170
  145    HA   TYR  22           HA       TYR  22   6.036   8.137  -0.594
  146    HB2  TYR  22           HB2      TYR  22   7.547   7.225   1.190
  147    HB3  TYR  22           HB1      TYR  22   7.721   5.783   0.230
  148    HD1  TYR  22           HD1      TYR  22   8.453   9.423   0.187
  149    HD2  TYR  22           HD2      TYR  22   9.229   5.638  -1.595
  150    HE1  TYR  22           HE1      TYR  22  10.267  10.418  -1.114
  151    HE2  TYR  22           HE2      TYR  22  11.052   6.623  -2.901
  152    HH   TYR  22           HH       TYR  22  11.591   8.937  -3.774
  153    H    THR  23           H        THR  23   6.191   4.679  -0.840
  154    HA   THR  23           HA       THR  23   7.020   4.703  -3.603
  155    HB   THR  23           HB       THR  23   6.185   2.306  -1.978
  156    HG1  THR  23           HG1      THR  23   8.855   2.940  -1.911
  157   HG21  THR  23          HG21      THR  23   8.311   2.715  -4.106
  158   HG22  THR  23          HG22      THR  23   6.748   1.949  -4.369
  159   HG23  THR  23          HG23      THR  23   7.934   1.190  -3.304
  160    H    LYS  24           H        LYS  24   4.055   4.633  -1.945
  161    HA   LYS  24           HA       LYS  24   1.915   4.441  -2.432
  162    HB2  LYS  24           HB2      LYS  24   2.519   4.291  -5.375
  163    HB3  LYS  24           HB1      LYS  24   1.064   4.767  -4.582
  164    HG2  LYS  24           HG2      LYS  24   3.572   6.393  -4.352
  165    HG3  LYS  24           HG1      LYS  24   2.286   6.717  -5.517
  166    HD2  LYS  24           HD2      LYS  24   0.697   6.970  -3.671
  167    HD3  LYS  24           HD1      LYS  24   1.991   6.652  -2.520
  168    HE2  LYS  24           HE2      LYS  24   3.169   8.627  -3.249
  169    HE3  LYS  24           HE1      LYS  24   1.933   8.943  -4.473
  170    HZ1  LYS  24           HZ1      LYS  24   1.574  10.292  -2.524
  171    HZ2  LYS  24           HZ2      LYS  24   1.523   8.926  -1.532
  172    HZ3  LYS  24           HZ3      LYS  24   0.330   9.179  -2.696
  173    H    ARG  25           H        ARG  25   3.516   2.143  -2.049
  174    HA   ARG  25           HA       ARG  25   1.923   0.234  -3.579
  175    HB2  ARG  25           HB2      ARG  25   4.812  -0.161  -2.863
  176    HB3  ARG  25           HB1      ARG  25   3.801  -1.362  -3.628
  177    HG2  ARG  25           HG2      ARG  25   4.735   1.249  -4.821
  178    HG3  ARG  25           HG1      ARG  25   5.213  -0.380  -5.305
  179    HD2  ARG  25           HD2      ARG  25   2.721  -0.756  -5.838
  180    HD3  ARG  25           HD1      ARG  25   2.569   0.956  -5.567
  181    HE   ARG  25           HE       ARG  25   4.359   1.168  -7.356
  182   HH11  ARG  25          HH11      ARG  25   1.973  -1.414  -7.361
  183   HH12  ARG  25          HH12      ARG  25   1.688  -1.389  -9.029
  184   HH21  ARG  25          HH21      ARG  25   3.973   1.250  -9.693
  185   HH22  ARG  25          HH22      ARG  25   2.875   0.174 -10.396
  186    H    CYS  26           H        CYS  26   1.770  -1.858  -2.558
  187    HA   CYS  26           HA       CYS  26   1.026  -1.448   0.183
  188    HB2  CYS  26           HB2      CYS  26   0.692  -3.804  -1.658
  189    HB3  CYS  26           HB1      CYS  26   0.036  -3.709  -0.026
  190    H    ARG  27           H        ARG  27   1.945  -2.188   1.889
  191    HA   ARG  27           HA       ARG  27   4.626  -3.050   1.964
  192    HB2  ARG  27           HB2      ARG  27   3.261  -1.855   3.787
  193    HB3  ARG  27           HB1      ARG  27   2.541  -3.401   4.093
  194    HG2  ARG  27           HG2      ARG  27   4.707  -4.389   4.630
  195    HG3  ARG  27           HG1      ARG  27   5.474  -2.828   4.362
  196    HD2  ARG  27           HD2      ARG  27   4.292  -1.865   6.202
  197    HD3  ARG  27           HD1      ARG  27   3.331  -3.331   6.408
  198    HE   ARG  27           HE       ARG  27   5.952  -4.108   6.582
  199   HH11  ARG  27          HH11      ARG  27   3.878  -1.867   8.410
  200   HH12  ARG  27          HH12      ARG  27   4.641  -2.195   9.890
  201   HH21  ARG  27          HH21      ARG  27   6.984  -4.513   8.672
  202   HH22  ARG  27          HH22      ARG  27   6.399  -3.722  10.050
  203    H    LYS  28           H        LYS  28   5.407  -5.099   2.697
  204    HA   LYS  28           HA       LYS  28   3.816  -7.421   1.934
  205    HB2  LYS  28           HB2      LYS  28   6.573  -7.286   3.146
  206    HB3  LYS  28           HB1      LYS  28   5.788  -8.657   2.409
  207    HG2  LYS  28           HG2      LYS  28   5.867  -7.674   0.233
  208    HG3  LYS  28           HG1      LYS  28   6.520  -6.172   0.894
  209    HD2  LYS  28           HD2      LYS  28   8.524  -7.293   1.594
  210    HD3  LYS  28           HD1      LYS  28   7.874  -8.857   1.124
  211    HE2  LYS  28           HE2      LYS  28   8.484  -6.559  -0.732
  212    HE3  LYS  28           HE1      LYS  28   9.467  -8.002  -0.517
  213    HZ1  LYS  28           HZ1      LYS  28   6.720  -7.890  -1.670
  214    HZ2  LYS  28           HZ2      LYS  28   7.512  -9.307  -1.287
  215    HZ3  LYS  28           HZ3      LYS  28   8.148  -8.298  -2.464
  216    H    TYR  29           H        TYR  29   4.227  -9.247   3.506
  217    HA   TYR  29           HA       TYR  29   2.928  -8.500   5.974
  218    HB2  TYR  29           HB2      TYR  29   3.793 -11.159   4.835
  219    HB3  TYR  29           HB1      TYR  29   3.035 -10.995   6.406
  220    HD1  TYR  29           HD1      TYR  29   0.629 -10.377   6.541
  221    HD2  TYR  29           HD2      TYR  29   2.530 -10.979   2.782
  222    HE1  TYR  29           HE1      TYR  29  -1.572 -10.566   5.462
  223    HE2  TYR  29           HE2      TYR  29   0.346 -11.159   1.696
  224    HH   TYR  29           HH       TYR  29  -1.974 -11.811   2.389
  225    H    TYR  30           H        TYR  30   5.785 -10.358   5.087
  226    HA   TYR  30           HA       TYR  30   7.002  -9.632   7.582
  227    HB2  TYR  30           HB2      TYR  30   7.798 -11.729   5.539
  228    HB3  TYR  30           HB1      TYR  30   8.629 -11.425   7.060
  229    HD1  TYR  30           HD1      TYR  30   7.705 -12.182   9.158
  230    HD2  TYR  30           HD2      TYR  30   5.596 -12.766   5.520
  231    HE1  TYR  30           HE1      TYR  30   6.186 -13.729  10.297
  232    HE2  TYR  30           HE2      TYR  30   4.067 -14.307   6.632
  233    HH   TYR  30           HH       TYR  30   4.006 -15.717   8.567
  Start of MODEL    5
    1    H1   CYS   1           HT1      CYS   1  -9.257  -6.002  -2.063
    2    H2   CYS   1           HT2      CYS   1  -9.806  -5.880  -0.466
    3    H3   CYS   1           HT3      CYS   1  -8.714  -7.100  -0.913
    4    HA   CYS   1           HA       CYS   1  -8.175  -4.231  -0.989
    5    HB2  CYS   1           HB2      CYS   1  -6.566  -4.843   0.872
    6    HB3  CYS   1           HB1      CYS   1  -8.265  -4.794   1.292
    7    H    LYS   2           H        LYS   2  -5.928  -3.777  -1.248
    8    HA   LYS   2           HA       LYS   2  -4.926  -5.107  -3.563
    9    HB2  LYS   2           HB2      LYS   2  -3.570  -3.014  -1.851
   10    HB3  LYS   2           HB1      LYS   2  -3.096  -3.521  -3.452
   11    HG2  LYS   2           HG2      LYS   2  -5.698  -2.170  -2.809
   12    HG3  LYS   2           HG1      LYS   2  -4.226  -1.378  -3.385
   13    HD2  LYS   2           HD2      LYS   2  -4.296  -2.714  -5.419
   14    HD3  LYS   2           HD1      LYS   2  -5.777  -3.495  -4.856
   15    HE2  LYS   2           HE2      LYS   2  -6.212  -1.661  -6.455
   16    HE3  LYS   2           HE1      LYS   2  -6.952  -1.403  -4.878
   17    HZ1  LYS   2           HZ1      LYS   2  -5.351   0.174  -4.308
   18    HZ2  LYS   2           HZ2      LYS   2  -5.802   0.589  -5.868
   19    HZ3  LYS   2           HZ3      LYS   2  -4.334  -0.219  -5.589
   20    HA   PRO   3           HA       PRO   3  -2.291  -8.074  -1.492
   21    HB2  PRO   3           HB2      PRO   3  -0.804  -8.772  -3.673
   22    HB3  PRO   3           HB1      PRO   3  -2.469  -9.319  -3.460
   23    HG2  PRO   3           HG2      PRO   3  -1.413  -7.050  -5.099
   24    HG3  PRO   3           HG1      PRO   3  -2.619  -8.272  -5.536
   25    HD2  PRO   3           HD2      PRO   3  -3.310  -5.792  -4.756
   26    HD3  PRO   3           HD1      PRO   3  -4.303  -7.214  -4.366
   27    HA   HYP   4           HA       HYP   4   1.370  -5.823  -0.383
   28    HB2  HYP   4           HB1      HYP   4   2.279  -7.383   0.989
   29    HB3  HYP   4           HB2      HYP   4   3.208  -8.000  -0.383
   30    HG   HYP   4           HG       HYP   4   1.928  -9.903  -0.067
   31   HD22  HYP   4          HD11      HYP   4  -0.510  -9.327  -1.070
   32   HD23  HYP   4          HD12      HYP   4   0.917  -9.206  -2.124
   33    HD1  HYP   4           HD2      HYP   4  -0.142  -9.727   0.856
   34    H    GLY   5           H        GLY   5   2.573  -4.549  -1.574
   35    HA2  GLY   5           HA2      GLY   5   4.273  -4.055  -3.089
   36    HA3  GLY   5           HA1      GLY   5   4.008  -5.602  -3.874
   37    H    SER   6           H        SER   6   0.988  -4.772  -3.650
   38    HA   SER   6           HA       SER   6   0.807  -3.710  -6.273
   39    HB2  SER   6           HB2      SER   6  -1.041  -4.938  -5.670
   40    HB3  SER   6           HB1      SER   6  -1.283  -4.069  -4.114
   41    HG   SER   6           HG       SER   6  -2.155  -2.414  -5.348
   42    H    LYS   7           H        LYS   7  -0.482  -1.957  -6.573
   43    HA   LYS   7           HA       LYS   7   0.763   0.360  -5.256
   44    HB2  LYS   7           HB2      LYS   7  -0.189   1.786  -6.993
   45    HB3  LYS   7           HB1      LYS   7   0.664   0.443  -7.730
   46    HG2  LYS   7           HG2      LYS   7  -1.438  -0.678  -8.180
   47    HG3  LYS   7           HG1      LYS   7  -2.317   0.620  -7.366
   48    HD2  LYS   7           HD2      LYS   7  -1.440   2.212  -9.000
   49    HD3  LYS   7           HD1      LYS   7  -0.612   0.892  -9.826
   50    HE2  LYS   7           HE2      LYS   7  -2.765  -0.185 -10.240
   51    HE3  LYS   7           HE1      LYS   7  -3.585   1.143  -9.426
   52    HZ1  LYS   7           HZ1      LYS   7  -1.978   1.342 -11.912
   53    HZ2  LYS   7           HZ2      LYS   7  -2.641   2.645 -11.091
   54    HZ3  LYS   7           HZ3      LYS   7  -3.658   1.484 -11.775
   55    H    CYS   8           H        CYS   8  -0.383   1.833  -4.131
   56    HA   CYS   8           HA       CYS   8  -3.140   1.043  -3.531
   57    HB2  CYS   8           HB2      CYS   8  -2.698   1.734  -1.203
   58    HB3  CYS   8           HB1      CYS   8  -1.888   0.265  -1.714
   59    H    SER   9           H        SER   9  -4.175   2.744  -2.111
   60    HA   SER   9           HA       SER   9  -3.942   5.219  -3.488
   61    HB2  SER   9           HB2      SER   9  -5.882   4.193  -1.499
   62    HB3  SER   9           HB1      SER   9  -6.094   5.535  -2.623
   63    HG   SER   9           HG       SER   9  -6.011   2.748  -3.199
   64    HA   HYP  10           HA       HYP  10  -0.769   6.438  -0.587
   65    HB2  HYP  10           HB1      HYP  10  -0.583   8.547  -1.346
   66    HB3  HYP  10           HB2      HYP  10  -1.963   9.043  -0.351
   67    HG   HYP  10           HG       HYP  10  -2.855   9.305  -2.599
   68   HD22  HYP  10          HD11      HYP  10  -4.056   7.044  -2.906
   69   HD23  HYP  10          HD12      HYP  10  -4.196   7.716  -1.255
   70    HD1  HYP  10           HD2      HYP  10  -2.134   6.877  -3.347
   71    H    SER  11           H        SER  11  -3.853   7.992   0.570
   72    HA   SER  11           HA       SER  11  -2.974   7.362   3.276
   73    HB2  SER  11           HB2      SER  11  -4.531   9.346   3.718
   74    HB3  SER  11           HB1      SER  11  -2.972   9.663   2.935
   75    HG   SER  11           HG       SER  11  -5.075  10.531   1.988
   76    H    MET  12           H        MET  12  -4.850   5.779   1.288
   77    HA   MET  12           HA       MET  12  -7.320   5.947   2.876
   78    HB2  MET  12           HB2      MET  12  -6.843   4.713   0.182
   79    HB3  MET  12           HB1      MET  12  -8.346   4.562   1.060
   80    HG2  MET  12           HG2      MET  12  -8.635   6.986   0.977
   81    HG3  MET  12           HG1      MET  12  -7.121   7.129   0.081
   82    HE1  MET  12           HE1      MET  12  -9.868   7.870  -2.631
   83    HE2  MET  12           HE2      MET  12  -8.442   8.490  -1.803
   84    HE3  MET  12          3HE       MET  12  -9.956   8.287  -0.923
   85    H    ARG  13           H        ARG  13  -4.655   3.976   2.539
   86    HA   ARG  13           HA       ARG  13  -4.168   1.796   2.821
   87    HB2  ARG  13           HB2      ARG  13  -4.317   2.462   5.120
   88    HB3  ARG  13           HB1      ARG  13  -6.067   2.292   5.082
   89    HG2  ARG  13           HG2      ARG  13  -5.755  -0.169   4.753
   90    HG3  ARG  13           HG1      ARG  13  -4.015   0.073   4.874
   91    HD2  ARG  13           HD2      ARG  13  -6.017   0.692   7.041
   92    HD3  ARG  13           HD1      ARG  13  -5.042  -0.768   6.954
   93    HE   ARG  13           HE       ARG  13  -3.834   1.903   7.160
   94   HH11  ARG  13          HH11      ARG  13  -4.060  -1.460   8.299
   95   HH12  ARG  13          HH12      ARG  13  -2.843  -1.296   9.460
   96   HH21  ARG  13          HH21      ARG  13  -2.177   2.122   8.813
   97   HH22  ARG  13          HH22      ARG  13  -1.785   0.797   9.790
   98    H    ASP  14           H        ASP  14  -5.105   1.210   0.830
   99    HA   ASP  14           HA       ASP  14  -7.593  -0.296   1.017
  100    HB2  ASP  14           HB2      ASP  14  -7.523  -0.207  -1.495
  101    HB3  ASP  14           HB1      ASP  14  -7.639   1.367  -0.722
  102    H    CYS  15           H        CYS  15  -4.561  -0.860   1.537
  103    HA   CYS  15           HA       CYS  15  -4.275  -3.314  -0.013
  104    HB2  CYS  15           HB2      CYS  15  -2.431  -2.214   2.095
  105    HB3  CYS  15           HB1      CYS  15  -2.092  -3.475   0.926
  106    H    CYS  16           H        CYS  16  -3.884  -5.315   1.004
  107    HA   CYS  16           HA       CYS  16  -5.606  -5.890   3.173
  108    HB2  CYS  16           HB2      CYS  16  -3.413  -7.505   1.913
  109    HB3  CYS  16           HB1      CYS  16  -4.632  -8.135   3.012
  110    H    THR  17           H        THR  17  -2.259  -5.139   2.928
  111    HA   THR  17           HA       THR  17  -1.809  -5.613   5.754
  112    HB   THR  17           HB       THR  17   0.525  -4.803   5.155
  113    HG1  THR  17           HG1      THR  17   0.958  -4.769   2.877
  114   HG21  THR  17          HG21      THR  17  -0.004  -7.212   5.216
  115   HG22  THR  17          HG22      THR  17   1.148  -6.844   3.933
  116   HG23  THR  17          HG23      THR  17  -0.548  -7.126   3.542
  117    H    THR  18           H        THR  18  -0.532  -2.994   3.865
  118    HA   THR  18           HA       THR  18  -2.310  -1.013   4.609
  119    HB   THR  18           HB       THR  18  -1.145  -1.249   6.793
  120    HG1  THR  18           HG1      THR  18  -0.730   0.967   7.006
  121   HG21  THR  18          HG21      THR  18   1.058  -1.985   6.013
  122   HG22  THR  18          HG22      THR  18   1.215  -0.539   7.008
  123   HG23  THR  18          HG23      THR  18   1.323  -0.418   5.250
  124    H    CYS  19           H        CYS  19  -1.157   1.138   3.977
  125    HA   CYS  19           HA       CYS  19   0.080   0.604   1.349
  126    HB2  CYS  19           HB2      CYS  19  -2.118   1.552   1.161
  127    HB3  CYS  19           HB1      CYS  19  -1.748   2.796   2.346
  128    H    ILE  20           H        ILE  20   2.085   1.232   1.172
  129    HA   ILE  20           HA       ILE  20   3.423   2.877   3.074
  130    HB   ILE  20           HB       ILE  20   4.285   1.960   0.313
  131   HG12  ILE  20          HG12      ILE  20   4.583   0.570   2.993
  132   HG13  ILE  20          HG11      ILE  20   3.682   0.036   1.610
  133   HG21  ILE  20          HG21      ILE  20   5.875   2.910   2.675
  134   HG22  ILE  20          HG22      ILE  20   5.644   3.762   1.147
  135   HG23  ILE  20          HG23      ILE  20   6.564   2.255   1.188
  136   HD11  ILE  20          HD11      ILE  20   6.676   0.301   1.651
  137   HD12  ILE  20          HD12      ILE  20   5.695  -0.291   0.312
  138   HD13  ILE  20          HD13      ILE  20   5.771  -1.202   1.822
  139    H    SER  21           H        SER  21   2.733   4.943   3.056
  140    HA   SER  21           HA       SER  21   1.474   6.240   0.919
  141    HB2  SER  21           HB2      SER  21   1.142   6.768   3.316
  142    HB3  SER  21           HB1      SER  21   2.764   7.450   3.374
  143    HG   SER  21           HG       SER  21   1.651   8.676   1.398
  144    H    TYR  22           H        TYR  22   4.795   5.868   1.629
  145    HA   TYR  22           HA       TYR  22   5.936   8.169   0.462
  146    HB2  TYR  22           HB2      TYR  22   6.962   6.478   2.037
  147    HB3  TYR  22           HB1      TYR  22   7.102   5.410   0.668
  148    HD1  TYR  22           HD1      TYR  22   8.927   5.589  -0.847
  149    HD2  TYR  22           HD2      TYR  22   8.268   8.621   2.056
  150    HE1  TYR  22           HE1      TYR  22  11.142   6.513  -1.322
  151    HE2  TYR  22           HE2      TYR  22  10.478   9.561   1.585
  152    HH   TYR  22           HH       TYR  22  12.630   8.763   0.688
  153    H    THR  23           H        THR  23   5.657   4.864  -0.765
  154    HA   THR  23           HA       THR  23   6.096   5.940  -3.476
  155    HB   THR  23           HB       THR  23   7.906   4.450  -2.701
  156    HG1  THR  23           HG1      THR  23   7.015   4.504  -4.963
  157   HG21  THR  23          HG21      THR  23   7.498   2.025  -2.454
  158   HG22  THR  23          HG22      THR  23   5.765   2.310  -2.624
  159   HG23  THR  23          HG23      THR  23   6.634   2.967  -1.241
  160    H    LYS  24           H        LYS  24   3.610   5.027  -1.692
  161    HA   LYS  24           HA       LYS  24   1.556   4.299  -1.949
  162    HB2  LYS  24           HB2      LYS  24   1.879   4.797  -4.903
  163    HB3  LYS  24           HB1      LYS  24   0.391   4.610  -4.020
  164    HG2  LYS  24           HG2      LYS  24   0.474   6.908  -4.319
  165    HG3  LYS  24           HG1      LYS  24   1.120   6.704  -2.697
  166    HD2  LYS  24           HD2      LYS  24   2.461   8.318  -3.929
  167    HD3  LYS  24           HD1      LYS  24   3.416   6.861  -3.631
  168    HE2  LYS  24           HE2      LYS  24   2.973   6.103  -5.916
  169    HE3  LYS  24           HE1      LYS  24   1.964   7.518  -6.200
  170    HZ1  LYS  24           HZ1      LYS  24   4.137   7.785  -7.131
  171    HZ2  LYS  24           HZ2      LYS  24   4.890   7.523  -5.652
  172    HZ3  LYS  24           HZ3      LYS  24   3.949   8.901  -5.884
  173    H    ARG  25           H        ARG  25   3.134   2.261  -1.607
  174    HA   ARG  25           HA       ARG  25   1.899   0.245  -3.333
  175    HB2  ARG  25           HB2      ARG  25   4.726   0.083  -2.301
  176    HB3  ARG  25           HB1      ARG  25   3.889  -1.191  -3.145
  177    HG2  ARG  25           HG2      ARG  25   4.684   1.472  -4.307
  178    HG3  ARG  25           HG1      ARG  25   5.415  -0.096  -4.663
  179    HD2  ARG  25           HD2      ARG  25   3.091  -0.813  -5.493
  180    HD3  ARG  25           HD1      ARG  25   2.659   0.866  -5.281
  181    HE   ARG  25           HE       ARG  25   4.576   1.358  -6.803
  182   HH11  ARG  25          HH11      ARG  25   2.584  -1.557  -7.148
  183   HH12  ARG  25          HH12      ARG  25   2.781  -1.630  -8.845
  184   HH21  ARG  25          HH21      ARG  25   4.825   1.220  -9.136
  185   HH22  ARG  25          HH22      ARG  25   4.065  -0.074  -9.964
  186    H    CYS  26           H        CYS  26   1.829  -1.880  -2.254
  187    HA   CYS  26           HA       CYS  26   0.895  -1.412   0.432
  188    HB2  CYS  26           HB2      CYS  26   0.779  -3.877  -1.289
  189    HB3  CYS  26           HB1      CYS  26  -0.043  -3.653   0.253
  190    H    ARG  27           H        ARG  27   1.702  -2.267   2.183
  191    HA   ARG  27           HA       ARG  27   4.464  -2.891   2.301
  192    HB2  ARG  27           HB2      ARG  27   2.881  -1.837   4.073
  193    HB3  ARG  27           HB1      ARG  27   2.438  -3.478   4.412
  194    HG2  ARG  27           HG2      ARG  27   4.720  -4.085   4.973
  195    HG3  ARG  27           HG1      ARG  27   5.246  -2.435   4.638
  196    HD2  ARG  27           HD2      ARG  27   3.787  -1.614   6.402
  197    HD3  ARG  27           HD1      ARG  27   3.241  -3.246   6.747
  198    HE   ARG  27           HE       ARG  27   6.047  -2.433   6.989
  199   HH11  ARG  27          HH11      ARG  27   3.234  -4.141   8.328
  200   HH12  ARG  27          HH12      ARG  27   3.949  -4.496   9.821
  201   HH21  ARG  27          HH21      ARG  27   7.066  -2.956   9.056
  202   HH22  ARG  27          HH22      ARG  27   6.188  -3.803  10.238
  203    H    LYS  28           H        LYS  28   5.389  -4.887   2.926
  204    HA   LYS  28           HA       LYS  28   3.841  -7.295   2.251
  205    HB2  LYS  28           HB2      LYS  28   6.747  -7.030   2.967
  206    HB3  LYS  28           HB1      LYS  28   5.921  -8.415   2.318
  207    HG2  LYS  28           HG2      LYS  28   5.619  -7.344   0.180
  208    HG3  LYS  28           HG1      LYS  28   6.299  -5.834   0.803
  209    HD2  LYS  28           HD2      LYS  28   8.011  -6.991  -0.433
  210    HD3  LYS  28           HD1      LYS  28   8.414  -7.054   1.283
  211    HE2  LYS  28           HE2      LYS  28   7.262  -9.349   1.289
  212    HE3  LYS  28           HE1      LYS  28   7.328  -9.245  -0.469
  213    HZ1  LYS  28           HZ1      LYS  28   9.786  -8.944  -0.191
  214    HZ2  LYS  28           HZ2      LYS  28   9.175 -10.433   0.276
  215    HZ3  LYS  28           HZ3      LYS  28   9.553  -9.300   1.455
  216    H    TYR  29           H        TYR  29   4.633  -9.152   3.633
  217    HA   TYR  29           HA       TYR  29   4.189  -8.519   6.451
  218    HB2  TYR  29           HB2      TYR  29   4.231 -11.121   4.892
  219    HB3  TYR  29           HB1      TYR  29   4.075 -11.048   6.633
  220    HD1  TYR  29           HD1      TYR  29   1.962 -10.503   7.648
  221    HD2  TYR  29           HD2      TYR  29   2.394 -10.282   3.419
  222    HE1  TYR  29           HE1      TYR  29  -0.464 -10.316   7.419
  223    HE2  TYR  29           HE2      TYR  29  -0.031 -10.088   3.171
  224    HH   TYR  29           HH       TYR  29  -2.075 -10.613   4.412
  225    H    TYR  30           H        TYR  30   6.221 -10.571   4.439
  226    HA   TYR  30           HA       TYR  30   8.582  -9.685   5.790
  227    HB2  TYR  30           HB2      TYR  30   7.844 -12.565   5.198
  228    HB3  TYR  30           HB1      TYR  30   9.454 -12.036   5.662
  229    HD1  TYR  30           HD1      TYR  30   9.634 -10.841   7.953
  230    HD2  TYR  30           HD2      TYR  30   6.310 -13.230   6.807
  231    HE1  TYR  30           HE1      TYR  30   9.025 -11.110  10.309
  232    HE2  TYR  30           HE2      TYR  30   5.692 -13.509   9.161
  233    HH   TYR  30           HH       TYR  30   6.812 -13.393  11.395
  Start of MODEL    6
    1    H1   CYS   1           HT1      CYS   1  -8.518  -7.339  -0.566
    2    H2   CYS   1           HT2      CYS   1  -9.307  -6.360  -1.658
    3    H3   CYS   1           HT3      CYS   1  -9.734  -6.307  -0.025
    4    HA   CYS   1           HA       CYS   1  -8.379  -4.415  -0.610
    5    HB2  CYS   1           HB2      CYS   1  -6.430  -4.948   0.989
    6    HB3  CYS   1           HB1      CYS   1  -8.061  -5.021   1.636
    7    H    LYS   2           H        LYS   2  -5.991  -3.775  -0.981
    8    HA   LYS   2           HA       LYS   2  -5.261  -5.077  -3.432
    9    HB2  LYS   2           HB2      LYS   2  -3.820  -2.806  -2.033
   10    HB3  LYS   2           HB1      LYS   2  -3.644  -3.284  -3.711
   11    HG2  LYS   2           HG2      LYS   2  -6.095  -2.060  -2.435
   12    HG3  LYS   2           HG1      LYS   2  -4.967  -1.297  -3.560
   13    HD2  LYS   2           HD2      LYS   2  -5.718  -2.583  -5.374
   14    HD3  LYS   2           HD1      LYS   2  -6.486  -3.772  -4.328
   15    HE2  LYS   2           HE2      LYS   2  -8.179  -2.386  -5.389
   16    HE3  LYS   2           HE1      LYS   2  -8.151  -2.111  -3.660
   17    HZ1  LYS   2           HZ1      LYS   2  -6.953  -0.058  -4.012
   18    HZ2  LYS   2           HZ2      LYS   2  -8.391  -0.076  -4.869
   19    HZ3  LYS   2           HZ3      LYS   2  -6.927  -0.299  -5.686
   20    HA   PRO   3           HA       PRO   3  -2.520  -7.956  -1.525
   21    HB2  PRO   3           HB2      PRO   3  -1.229  -8.737  -3.810
   22    HB3  PRO   3           HB1      PRO   3  -2.860  -9.274  -3.402
   23    HG2  PRO   3           HG2      PRO   3  -1.993  -7.072  -5.231
   24    HG3  PRO   3           HG1      PRO   3  -3.236  -8.311  -5.487
   25    HD2  PRO   3           HD2      PRO   3  -3.859  -5.816  -4.759
   26    HD3  PRO   3           HD1      PRO   3  -4.779  -7.212  -4.155
   27    HA   HYP   4           HA       HYP   4   1.345  -5.907  -0.686
   28    HB2  HYP   4           HB1      HYP   4   2.581  -7.503   0.366
   29    HB3  HYP   4           HB2      HYP   4   2.965  -8.280  -1.174
   30    HG   HYP   4           HG       HYP   4   1.632  -9.949  -0.251
   31   HD22  HYP   4          HD11      HYP   4  -0.866  -9.155  -0.843
   32   HD23  HYP   4          HD12      HYP   4   0.309  -9.377  -2.157
   33    HD1  HYP   4           HD2      HYP   4   0.045  -9.573   1.169
   34    H    GLY   5           H        GLY   5   2.561  -4.653  -1.944
   35    HA2  GLY   5           HA2      GLY   5   4.040  -4.166  -3.674
   36    HA3  GLY   5           HA1      GLY   5   3.600  -5.671  -4.457
   37    H    SER   6           H        SER   6   0.668  -4.687  -3.880
   38    HA   SER   6           HA       SER   6   0.295  -3.562  -6.428
   39    HB2  SER   6           HB2      SER   6  -1.531  -4.702  -5.645
   40    HB3  SER   6           HB1      SER   6  -1.583  -3.832  -4.070
   41    HG   SER   6           HG       SER   6  -2.476  -2.129  -5.207
   42    H    LYS   7           H        LYS   7  -0.894  -1.732  -6.568
   43    HA   LYS   7           HA       LYS   7   0.597   0.506  -5.346
   44    HB2  LYS   7           HB2      LYS   7  -0.487   2.019  -6.963
   45    HB3  LYS   7           HB1      LYS   7   0.252   0.670  -7.806
   46    HG2  LYS   7           HG2      LYS   7  -1.937  -0.376  -8.090
   47    HG3  LYS   7           HG1      LYS   7  -2.679   0.921  -7.157
   48    HD2  LYS   7           HD2      LYS   7  -2.019   2.546  -8.836
   49    HD3  LYS   7           HD1      LYS   7  -1.198   1.291  -9.755
   50    HE2  LYS   7           HE2      LYS   7  -3.379   1.784 -10.729
   51    HE3  LYS   7           HE1      LYS   7  -3.345   0.142 -10.094
   52    HZ1  LYS   7           HZ1      LYS   7  -4.552   0.960  -8.116
   53    HZ2  LYS   7           HZ2      LYS   7  -5.399   1.247  -9.528
   54    HZ3  LYS   7           HZ3      LYS   7  -4.610   2.506  -8.784
   55    H    CYS   8           H        CYS   8  -0.407   2.040  -4.078
   56    HA   CYS   8           HA       CYS   8  -3.148   1.289  -3.354
   57    HB2  CYS   8           HB2      CYS   8  -2.575   2.096  -1.033
   58    HB3  CYS   8           HB1      CYS   8  -1.992   0.517  -1.523
   59    H    SER   9           H        SER   9  -4.332   2.921  -2.126
   60    HA   SER   9           HA       SER   9  -3.980   5.435  -3.416
   61    HB2  SER   9           HB2      SER   9  -6.109   4.449  -1.625
   62    HB3  SER   9           HB1      SER   9  -6.176   5.722  -2.836
   63    HG   SER   9           HG       SER   9  -6.079   2.932  -3.245
   64    HA   HYP  10           HA       HYP  10  -1.710   6.884   0.059
   65    HB2  HYP  10           HB1      HYP  10  -1.364   9.038  -0.566
   66    HB3  HYP  10           HB2      HYP  10  -3.036   9.478  -0.190
   67    HG   HYP  10           HG       HYP  10  -2.921   9.598  -2.633
   68   HD22  HYP  10          HD11      HYP  10  -4.085   7.362  -3.151
   69   HD23  HYP  10          HD12      HYP  10  -4.739   8.216  -1.725
   70    HD1  HYP  10           HD2      HYP  10  -2.148   7.108  -2.962
   71    H    SER  11           H        SER  11  -5.031   8.341   0.270
   72    HA   SER  11           HA       SER  11  -4.726   8.334   3.121
   73    HB2  SER  11           HB2      SER  11  -7.111   9.220   1.499
   74    HB3  SER  11           HB1      SER  11  -6.657   9.698   3.133
   75    HG   SER  11           HG       SER  11  -4.933  10.792   2.373
   76    H    MET  12           H        MET  12  -5.923   6.155   0.833
   77    HA   MET  12           HA       MET  12  -8.090   5.186   2.493
   78    HB2  MET  12           HB2      MET  12  -6.997   3.913  -0.008
   79    HB3  MET  12           HB1      MET  12  -8.446   3.434   0.837
   80    HG2  MET  12           HG2      MET  12  -9.475   5.594   0.320
   81    HG3  MET  12           HG1      MET  12  -8.022   6.059  -0.560
   82    HE1  MET  12           HE1      MET  12 -10.837   6.220  -1.946
   83    HE2  MET  12           HE2      MET  12 -10.482   5.489  -3.512
   84    HE3  MET  12          3HE       MET  12  -9.318   6.581  -2.766
   85    H    ARG  13           H        ARG  13  -4.950   4.211   1.593
   86    HA   ARG  13           HA       ARG  13  -3.514   2.546   2.277
   87    HB2  ARG  13           HB2      ARG  13  -3.654   3.803   4.333
   88    HB3  ARG  13           HB1      ARG  13  -5.184   3.056   4.720
   89    HG2  ARG  13           HG2      ARG  13  -4.042   0.961   5.228
   90    HG3  ARG  13           HG1      ARG  13  -2.509   1.643   4.672
   91    HD2  ARG  13           HD2      ARG  13  -2.769   1.647   7.150
   92    HD3  ARG  13           HD1      ARG  13  -2.494   3.238   6.450
   93    HE   ARG  13           HE       ARG  13  -5.242   2.406   6.942
   94   HH11  ARG  13          HH11      ARG  13  -2.477   4.379   7.939
   95   HH12  ARG  13          HH12      ARG  13  -3.394   5.474   8.849
   96   HH21  ARG  13          HH21      ARG  13  -6.526   3.972   8.249
   97   HH22  ARG  13          HH22      ARG  13  -5.686   5.221   9.037
   98    H    ASP  14           H        ASP  14  -5.410   1.760   0.693
   99    HA   ASP  14           HA       ASP  14  -7.274  -0.171   1.589
  100    HB2  ASP  14           HB2      ASP  14  -7.785  -0.313  -0.854
  101    HB3  ASP  14           HB1      ASP  14  -7.944   1.287  -0.143
  102    H    CYS  15           H        CYS  15  -4.310  -0.807   1.694
  103    HA   CYS  15           HA       CYS  15  -4.183  -3.186   0.007
  104    HB2  CYS  15           HB2      CYS  15  -2.180  -2.257   2.060
  105    HB3  CYS  15           HB1      CYS  15  -1.963  -3.484   0.839
  106    H    CYS  16           H        CYS  16  -3.621  -5.253   0.960
  107    HA   CYS  16           HA       CYS  16  -5.312  -5.962   3.110
  108    HB2  CYS  16           HB2      CYS  16  -3.080  -7.476   1.771
  109    HB3  CYS  16           HB1      CYS  16  -4.254  -8.178   2.882
  110    H    THR  17           H        THR  17  -1.912  -5.212   2.873
  111    HA   THR  17           HA       THR  17  -1.502  -5.791   5.679
  112    HB   THR  17           HB       THR  17   0.846  -4.940   5.068
  113    HG1  THR  17           HG1      THR  17   1.198  -5.089   2.709
  114   HG21  THR  17          HG21      THR  17  -0.230  -7.345   3.559
  115   HG22  THR  17          HG22      THR  17   0.356  -7.358   5.223
  116   HG23  THR  17          HG23      THR  17   1.470  -7.030   3.897
  117    H    THR  18           H        THR  18  -0.310  -3.168   3.761
  118    HA   THR  18           HA       THR  18  -2.012  -1.157   4.617
  119    HB   THR  18           HB       THR  18  -0.739  -1.466   6.752
  120    HG1  THR  18           HG1      THR  18   0.128   0.927   6.601
  121   HG21  THR  18          HG21      THR  18   1.640  -0.550   5.125
  122   HG22  THR  18          HG22      THR  18   1.414  -2.156   5.810
  123   HG23  THR  18          HG23      THR  18   1.619  -0.767   6.877
  124    H    CYS  19           H        CYS  19  -0.871   0.960   3.986
  125    HA   CYS  19           HA       CYS  19   0.352   0.524   1.333
  126    HB2  CYS  19           HB2      CYS  19  -1.799   1.598   1.260
  127    HB3  CYS  19           HB1      CYS  19  -1.328   2.764   2.498
  128    H    ILE  20           H        ILE  20   2.415   1.118   1.233
  129    HA   ILE  20           HA       ILE  20   3.613   2.670   3.351
  130    HB   ILE  20           HB       ILE  20   4.880   1.795   0.732
  131   HG12  ILE  20          HG12      ILE  20   4.619   0.270   3.333
  132   HG13  ILE  20          HG11      ILE  20   3.969  -0.172   1.783
  133   HG21  ILE  20          HG21      ILE  20   6.105   3.491   2.001
  134   HG22  ILE  20          HG22      ILE  20   6.979   1.957   2.000
  135   HG23  ILE  20          HG23      ILE  20   6.075   2.459   3.429
  136   HD11  ILE  20          HD11      ILE  20   6.916  -0.036   2.385
  137   HD12  ILE  20          HD12      ILE  20   6.184  -0.532   0.860
  138   HD13  ILE  20          HD13      ILE  20   5.950  -1.509   2.311
  139    H    SER  21           H        SER  21   2.918   4.767   3.230
  140    HA   SER  21           HA       SER  21   1.952   6.159   1.104
  141    HB2  SER  21           HB2      SER  21   3.451   7.316   3.444
  142    HB3  SER  21           HB1      SER  21   2.105   8.029   2.549
  143    HG   SER  21           HG       SER  21   0.776   6.960   3.768
  144    H    TYR  22           H        TYR  22   5.235   5.673   2.031
  145    HA   TYR  22           HA       TYR  22   6.588   7.682   0.612
  146    HB2  TYR  22           HB2      TYR  22   7.478   6.134   2.387
  147    HB3  TYR  22           HB1      TYR  22   7.475   4.873   1.191
  148    HD1  TYR  22           HD1      TYR  22   9.486   4.347   0.225
  149    HD2  TYR  22           HD2      TYR  22   8.807   8.354   1.490
  150    HE1  TYR  22           HE1      TYR  22  11.771   4.936  -0.433
  151    HE2  TYR  22           HE2      TYR  22  11.085   8.951   0.825
  152    HH   TYR  22           HH       TYR  22  13.244   7.761   0.558
  153    H    THR  23           H        THR  23   5.985   4.336  -0.222
  154    HA   THR  23           HA       THR  23   6.959   4.736  -2.948
  155    HB   THR  23           HB       THR  23   6.015   2.164  -1.681
  156    HG1  THR  23           HG1      THR  23   8.494   3.534  -1.575
  157   HG21  THR  23          HG21      THR  23   6.420   2.129  -4.132
  158   HG22  THR  23          HG22      THR  23   7.598   1.146  -3.263
  159   HG23  THR  23          HG23      THR  23   8.050   2.740  -3.864
  160    H    LYS  24           H        LYS  24   3.904   4.342  -1.305
  161    HA   LYS  24           HA       LYS  24   1.786   4.093  -1.842
  162    HB2  LYS  24           HB2      LYS  24   2.382   4.695  -4.730
  163    HB3  LYS  24           HB1      LYS  24   0.879   4.759  -3.890
  164    HG2  LYS  24           HG2      LYS  24   3.136   6.619  -3.250
  165    HG3  LYS  24           HG1      LYS  24   1.727   7.035  -4.239
  166    HD2  LYS  24           HD2      LYS  24   0.273   6.491  -2.308
  167    HD3  LYS  24           HD1      LYS  24   1.716   6.178  -1.345
  168    HE2  LYS  24           HE2      LYS  24   0.881   8.391  -0.891
  169    HE3  LYS  24           HE1      LYS  24   2.443   8.487  -1.704
  170    HZ1  LYS  24           HZ1      LYS  24   0.813  10.067  -2.568
  171    HZ2  LYS  24           HZ2      LYS  24  -0.189   8.790  -3.041
  172    HZ3  LYS  24           HZ3      LYS  24   1.322   8.996  -3.762
  173    H    ARG  25           H        ARG  25   3.400   1.964  -1.745
  174    HA   ARG  25           HA       ARG  25   1.873   0.170  -3.438
  175    HB2  ARG  25           HB2      ARG  25   4.751  -0.200  -2.666
  176    HB3  ARG  25           HB1      ARG  25   3.775  -1.408  -3.466
  177    HG2  ARG  25           HG2      ARG  25   4.639   1.245  -4.610
  178    HG3  ARG  25           HG1      ARG  25   5.238  -0.349  -5.081
  179    HD2  ARG  25           HD2      ARG  25   2.760  -0.851  -5.690
  180    HD3  ARG  25           HD1      ARG  25   2.550   0.862  -5.471
  181    HE   ARG  25           HE       ARG  25   4.412   1.095  -7.171
  182   HH11  ARG  25          HH11      ARG  25   2.086  -1.575  -7.257
  183   HH12  ARG  25          HH12      ARG  25   1.941  -1.579  -8.950
  184   HH21  ARG  25          HH21      ARG  25   4.300   1.010  -9.483
  185   HH22  ARG  25          HH22      ARG  25   3.276  -0.111 -10.271
  186    H    CYS  26           H        CYS  26   1.716  -1.940  -2.478
  187    HA   CYS  26           HA       CYS  26   0.965  -1.615   0.258
  188    HB2  CYS  26           HB2      CYS  26   0.719  -3.971  -1.597
  189    HB3  CYS  26           HB1      CYS  26  -0.032  -3.831  -0.007
  190    H    ARG  27           H        ARG  27   1.850  -2.466   1.928
  191    HA   ARG  27           HA       ARG  27   4.592  -3.065   1.999
  192    HB2  ARG  27           HB2      ARG  27   3.093  -2.079   3.789
  193    HB3  ARG  27           HB1      ARG  27   2.511  -3.692   4.055
  194    HG2  ARG  27           HG2      ARG  27   4.719  -4.470   4.676
  195    HG3  ARG  27           HG1      ARG  27   5.371  -2.851   4.396
  196    HD2  ARG  27           HD2      ARG  27   3.970  -1.959   6.149
  197    HD3  ARG  27           HD1      ARG  27   3.228  -3.541   6.388
  198    HE   ARG  27           HE       ARG  27   5.939  -3.868   6.652
  199   HH11  ARG  27          HH11      ARG  27   3.370  -2.108   8.358
  200   HH12  ARG  27          HH12      ARG  27   4.117  -2.229   9.876
  201   HH21  ARG  27          HH21      ARG  27   6.944  -4.032   8.762
  202   HH22  ARG  27          HH22      ARG  27   6.168  -3.353  10.112
  203    H    LYS  28           H        LYS  28   5.634  -5.033   2.493
  204    HA   LYS  28           HA       LYS  28   4.310  -7.477   1.615
  205    HB2  LYS  28           HB2      LYS  28   7.061  -7.191   2.813
  206    HB3  LYS  28           HB1      LYS  28   6.452  -8.458   1.786
  207    HG2  LYS  28           HG2      LYS  28   6.414  -7.055  -0.135
  208    HG3  LYS  28           HG1      LYS  28   6.822  -5.635   0.822
  209    HD2  LYS  28           HD2      LYS  28   8.796  -6.384  -0.347
  210    HD3  LYS  28           HD1      LYS  28   9.002  -6.698   1.367
  211    HE2  LYS  28           HE2      LYS  28   9.794  -8.581   0.073
  212    HE3  LYS  28           HE1      LYS  28   8.377  -9.041   1.003
  213    HZ1  LYS  28           HZ1      LYS  28   8.302  -9.882  -1.276
  214    HZ2  LYS  28           HZ2      LYS  28   8.370  -8.317  -1.876
  215    HZ3  LYS  28           HZ3      LYS  28   7.029  -8.821  -0.996
  216    H    TYR  29           H        TYR  29   4.878  -9.350   3.080
  217    HA   TYR  29           HA       TYR  29   3.569  -8.902   5.556
  218    HB2  TYR  29           HB2      TYR  29   4.924 -11.295   4.380
  219    HB3  TYR  29           HB1      TYR  29   4.237 -11.333   5.994
  220    HD1  TYR  29           HD1      TYR  29   1.706 -10.386   6.059
  221    HD2  TYR  29           HD2      TYR  29   3.600 -12.026   2.619
  222    HE1  TYR  29           HE1      TYR  29  -0.488 -10.845   5.075
  223    HE2  TYR  29           HE2      TYR  29   1.403 -12.486   1.630
  224    HH   TYR  29           HH       TYR  29  -0.923 -12.886   2.487
  225    H    TYR  30           H        TYR  30   6.846 -10.002   4.842
  226    HA   TYR  30           HA       TYR  30   7.654  -8.646   7.261
  227    HB2  TYR  30           HB2      TYR  30   8.976 -11.018   5.934
  228    HB3  TYR  30           HB1      TYR  30   9.572 -10.196   7.364
  229    HD1  TYR  30           HD1      TYR  30   7.917 -10.159   9.411
  230    HD2  TYR  30           HD2      TYR  30   7.630 -12.864   6.150
  231    HE1  TYR  30           HE1      TYR  30   6.617 -11.703  10.810
  232    HE2  TYR  30           HE2      TYR  30   6.333 -14.392   7.511
  233    HH   TYR  30           HH       TYR  30   4.931 -13.582  10.428
  Start of MODEL    7
    1    H1   CYS   1           HT1      CYS   1  -9.397  -5.845  -1.147
    2    H2   CYS   1           HT2      CYS   1  -9.635  -5.899   0.526
    3    H3   CYS   1           HT3      CYS   1  -8.659  -7.051  -0.244
    4    HA   CYS   1           HA       CYS   1  -8.083  -4.191  -0.100
    5    HB2  CYS   1           HB2      CYS   1  -6.158  -5.038   1.288
    6    HB3  CYS   1           HB1      CYS   1  -7.728  -5.062   2.063
    7    H    LYS   2           H        LYS   2  -5.886  -3.763  -0.749
    8    HA   LYS   2           HA       LYS   2  -5.252  -5.081  -3.213
    9    HB2  LYS   2           HB2      LYS   2  -3.955  -2.764  -1.782
   10    HB3  LYS   2           HB1      LYS   2  -3.361  -3.417  -3.293
   11    HG2  LYS   2           HG2      LYS   2  -6.084  -2.217  -2.863
   12    HG3  LYS   2           HG1      LYS   2  -4.700  -1.407  -3.597
   13    HD2  LYS   2           HD2      LYS   2  -4.669  -3.154  -5.363
   14    HD3  LYS   2           HD1      LYS   2  -6.128  -3.849  -4.655
   15    HE2  LYS   2           HE2      LYS   2  -7.316  -1.747  -5.035
   16    HE3  LYS   2           HE1      LYS   2  -5.860  -1.055  -5.742
   17    HZ1  LYS   2           HZ1      LYS   2  -7.356  -3.383  -6.818
   18    HZ2  LYS   2           HZ2      LYS   2  -5.945  -2.743  -7.467
   19    HZ3  LYS   2           HZ3      LYS   2  -7.353  -1.818  -7.453
   20    HA   PRO   3           HA       PRO   3  -2.297  -7.964  -1.505
   21    HB2  PRO   3           HB2      PRO   3  -1.171  -7.908  -4.238
   22    HB3  PRO   3           HB1      PRO   3  -1.809  -9.268  -3.315
   23    HG2  PRO   3           HG2      PRO   3  -3.145  -8.261  -5.382
   24    HG3  PRO   3           HG1      PRO   3  -3.988  -8.838  -3.932
   25    HD2  PRO   3           HD2      PRO   3  -3.371  -6.034  -4.767
   26    HD3  PRO   3           HD1      PRO   3  -4.834  -6.733  -4.032
   27    HA   HYP   4           HA       HYP   4   1.557  -5.805  -0.760
   28    HB2  HYP   4           HB1      HYP   4   3.171  -7.329  -0.268
   29    HB3  HYP   4           HB2      HYP   4   2.937  -8.224  -1.775
   30    HG   HYP   4           HG       HYP   4   1.920  -9.626  -0.129
   31   HD22  HYP   4          HD11      HYP   4  -0.614  -8.816  -0.527
   32   HD23  HYP   4          HD12      HYP   4   0.352  -9.346  -1.922
   33    HD1  HYP   4           HD2      HYP   4   1.573  -7.306   1.126
   34    H    GLY   5           H        GLY   5   2.817  -4.479  -1.917
   35    HA2  GLY   5           HA2      GLY   5   4.148  -3.769  -3.629
   36    HA3  GLY   5           HA1      GLY   5   3.795  -5.260  -4.485
   37    H    SER   6           H        SER   6   0.820  -4.459  -3.875
   38    HA   SER   6           HA       SER   6   0.392  -3.220  -6.366
   39    HB2  SER   6           HB2      SER   6  -1.384  -4.453  -5.673
   40    HB3  SER   6           HB1      SER   6  -1.457  -3.710  -4.031
   41    HG   SER   6           HG       SER   6  -2.384  -1.895  -5.088
   42    H    LYS   7           H        LYS   7  -0.878  -1.428  -6.407
   43    HA   LYS   7           HA       LYS   7   0.666   0.804  -5.276
   44    HB2  LYS   7           HB2      LYS   7  -0.048   0.795  -7.701
   45    HB3  LYS   7           HB1      LYS   7  -1.717   0.906  -7.170
   46    HG2  LYS   7           HG2      LYS   7  -1.027   3.057  -7.874
   47    HG3  LYS   7           HG1      LYS   7  -1.138   3.101  -6.111
   48    HD2  LYS   7           HD2      LYS   7   1.287   2.809  -5.966
   49    HD3  LYS   7           HD1      LYS   7   1.386   2.744  -7.727
   50    HE2  LYS   7           HE2      LYS   7   0.437   5.076  -6.074
   51    HE3  LYS   7           HE1      LYS   7   1.991   4.951  -6.888
   52    HZ1  LYS   7           HZ1      LYS   7   0.499   6.275  -8.165
   53    HZ2  LYS   7           HZ2      LYS   7  -0.678   5.080  -8.219
   54    HZ3  LYS   7           HZ3      LYS   7   0.780   4.858  -9.020
   55    H    CYS   8           H        CYS   8  -0.206   2.151  -3.694
   56    HA   CYS   8           HA       CYS   8  -2.870   1.339  -2.780
   57    HB2  CYS   8           HB2      CYS   8  -2.191   2.300  -0.552
   58    HB3  CYS   8           HB1      CYS   8  -1.524   0.751  -1.010
   59    H    SER   9           H        SER   9  -4.148   2.883  -1.638
   60    HA   SER   9           HA       SER   9  -4.071   5.376  -3.012
   61    HB2  SER   9           HB2      SER   9  -6.281   5.500  -2.013
   62    HB3  SER   9           HB1      SER   9  -6.091   4.176  -3.191
   63    HG   SER   9           HG       SER   9  -6.273   2.734  -1.530
   64    HA   HYP  10           HA       HYP  10  -2.917   7.134   0.915
   65    HB2  HYP  10           HB1      HYP  10  -2.158   9.151   0.152
   66    HB3  HYP  10           HB2      HYP  10  -3.809   9.774   0.050
   67    HG   HYP  10           HG       HYP  10  -3.167   9.679  -2.270
   68   HD22  HYP  10          HD11      HYP  10  -4.132   7.348  -2.941
   69   HD23  HYP  10          HD12      HYP  10  -5.186   8.347  -1.906
   70    HD1  HYP  10           HD2      HYP  10  -2.341   7.219  -2.399
   71    H    SER  11           H        SER  11  -6.059   7.587  -0.376
   72    HA   SER  11           HA       SER  11  -7.175   8.787   1.979
   73    HB2  SER  11           HB2      SER  11  -8.548   7.738  -0.478
   74    HB3  SER  11           HB1      SER  11  -9.166   8.930   0.667
   75    HG   SER  11           HG       SER  11  -8.293   9.844  -1.264
   76    H    MET  12           H        MET  12  -7.365   5.646   0.271
   77    HA   MET  12           HA       MET  12  -9.099   4.673   2.386
   78    HB2  MET  12           HB2      MET  12  -8.316   3.382  -0.215
   79    HB3  MET  12           HB1      MET  12  -9.358   2.632   0.982
   80    HG2  MET  12           HG2      MET  12 -10.978   4.447   0.692
   81    HG3  MET  12           HG1      MET  12  -9.926   5.177  -0.520
   82    HE1  MET  12           HE1      MET  12  -8.845   2.550  -2.079
   83    HE2  MET  12           HE2      MET  12  -9.369   4.022  -2.890
   84    HE3  MET  12          3HE       MET  12 -10.023   2.466  -3.386
   85    H    ARG  13           H        ARG  13  -5.965   4.206   1.152
   86    HA   ARG  13           HA       ARG  13  -4.169   2.852   1.727
   87    HB2  ARG  13           HB2      ARG  13  -4.355   4.271   3.699
   88    HB3  ARG  13           HB1      ARG  13  -5.607   3.228   4.340
   89    HG2  ARG  13           HG2      ARG  13  -3.847   1.431   4.560
   90    HG3  ARG  13           HG1      ARG  13  -2.648   2.623   4.054
   91    HD2  ARG  13           HD2      ARG  13  -2.747   2.386   6.495
   92    HD3  ARG  13           HD1      ARG  13  -3.180   4.007   5.971
   93    HE   ARG  13           HE       ARG  13  -5.519   2.556   6.128
   94   HH11  ARG  13          HH11      ARG  13  -3.021   3.617   8.383
   95   HH12  ARG  13          HH12      ARG  13  -4.068   3.788   9.712
   96   HH21  ARG  13          HH21      ARG  13  -7.004   2.843   7.932
   97   HH22  ARG  13          HH22      ARG  13  -6.399   3.348   9.430
   98    H    ASP  14           H        ASP  14  -6.008   1.530   0.471
   99    HA   ASP  14           HA       ASP  14  -7.454  -0.445   1.920
  100    HB2  ASP  14           HB2      ASP  14  -8.352  -1.020  -0.246
  101    HB3  ASP  14           HB1      ASP  14  -8.491   0.706   0.082
  102    H    CYS  15           H        CYS  15  -4.576  -0.782   1.942
  103    HA   CYS  15           HA       CYS  15  -4.068  -3.150   0.305
  104    HB2  CYS  15           HB2      CYS  15  -2.298  -2.048   2.485
  105    HB3  CYS  15           HB1      CYS  15  -1.885  -3.194   1.252
  106    H    CYS  16           H        CYS  16  -3.511  -5.196   1.214
  107    HA   CYS  16           HA       CYS  16  -5.168  -5.985   3.362
  108    HB2  CYS  16           HB2      CYS  16  -2.882  -7.413   2.024
  109    HB3  CYS  16           HB1      CYS  16  -4.034  -8.157   3.123
  110    H    THR  17           H        THR  17  -1.858  -5.029   3.158
  111    HA   THR  17           HA       THR  17  -1.467  -5.612   5.993
  112    HB   THR  17           HB       THR  17   0.949  -4.996   5.409
  113    HG1  THR  17           HG1      THR  17   1.302  -5.278   3.024
  114   HG21  THR  17          HG21      THR  17   0.219  -7.350   5.635
  115   HG22  THR  17          HG22      THR  17   1.410  -7.184   4.346
  116   HG23  THR  17          HG23      THR  17  -0.300  -7.344   3.949
  117    H    THR  18           H        THR  18   0.018  -3.163   4.022
  118    HA   THR  18           HA       THR  18  -1.478  -0.989   4.989
  119    HB   THR  18           HB       THR  18  -0.104  -1.427   6.997
  120    HG1  THR  18           HG1      THR  18   0.157   0.642   7.289
  121   HG21  THR  18          HG21      THR  18   2.272  -0.921   5.190
  122   HG22  THR  18          HG22      THR  18   1.845  -2.461   5.931
  123   HG23  THR  18          HG23      THR  18   2.334  -1.099   6.944
  124    H    CYS  19           H        CYS  19  -0.098   1.034   4.373
  125    HA   CYS  19           HA       CYS  19   0.762   0.611   1.580
  126    HB2  CYS  19           HB2      CYS  19  -1.303   1.754   1.640
  127    HB3  CYS  19           HB1      CYS  19  -0.790   2.829   2.936
  128    H    ILE  20           H        ILE  20   2.849   0.893   1.373
  129    HA   ILE  20           HA       ILE  20   4.506   2.299   3.229
  130    HB   ILE  20           HB       ILE  20   5.129   1.358   0.403
  131   HG12  ILE  20          HG12      ILE  20   5.323  -0.147   3.020
  132   HG13  ILE  20          HG11      ILE  20   4.264  -0.502   1.683
  133   HG21  ILE  20          HG21      ILE  20   6.945   1.906   2.757
  134   HG22  ILE  20          HG22      ILE  20   6.780   2.906   1.308
  135   HG23  ILE  20          HG23      ILE  20   7.459   1.285   1.186
  136   HD11  ILE  20          HD11      ILE  20   7.266  -0.680   1.547
  137   HD12  ILE  20          HD12      ILE  20   6.130  -1.096   0.263
  138   HD13  ILE  20          HD13      ILE  20   6.166  -2.042   1.752
  139    H    SER  21           H        SER  21   4.431   4.484   3.240
  140    HA   SER  21           HA       SER  21   3.056   5.840   1.178
  141    HB2  SER  21           HB2      SER  21   4.509   6.959   3.559
  142    HB3  SER  21           HB1      SER  21   3.310   7.800   2.568
  143    HG   SER  21           HG       SER  21   2.400   5.413   3.327
  144    H    TYR  22           H        TYR  22   6.347   5.049   1.454
  145    HA   TYR  22           HA       TYR  22   7.319   7.335  -0.000
  146    HB2  TYR  22           HB2      TYR  22   8.717   5.844   1.525
  147    HB3  TYR  22           HB1      TYR  22   8.659   4.652   0.252
  148    HD1  TYR  22           HD1      TYR  22   9.824   8.086   0.979
  149    HD2  TYR  22           HD2      TYR  22  10.092   4.756  -1.649
  150    HE1  TYR  22           HE1      TYR  22  11.715   9.147  -0.163
  151    HE2  TYR  22           HE2      TYR  22  11.980   5.806  -2.799
  152    HH   TYR  22           HH       TYR  22  12.888   8.025  -3.146
  153    H    THR  23           H        THR  23   6.893   3.925  -0.785
  154    HA   THR  23           HA       THR  23   7.322   4.418  -3.606
  155    HB   THR  23           HB       THR  23   6.952   1.928  -3.777
  156    HG1  THR  23           HG1      THR  23   6.813   0.801  -1.818
  157   HG21  THR  23          HG21      THR  23   9.203   2.917  -3.480
  158   HG22  THR  23          HG22      THR  23   9.049   1.352  -2.682
  159   HG23  THR  23          HG23      THR  23   8.980   2.836  -1.731
  160    H    LYS  24           H        LYS  24   4.696   4.312  -1.489
  161    HA   LYS  24           HA       LYS  24   2.477   4.359  -1.618
  162    HB2  LYS  24           HB2      LYS  24   2.588   4.725  -4.594
  163    HB3  LYS  24           HB1      LYS  24   1.361   5.202  -3.482
  164    HG2  LYS  24           HG2      LYS  24   4.075   6.522  -3.575
  165    HG3  LYS  24           HG1      LYS  24   2.582   7.191  -4.228
  166    HD2  LYS  24           HD2      LYS  24   3.027   6.496  -1.318
  167    HD3  LYS  24           HD1      LYS  24   3.204   8.109  -1.995
  168    HE2  LYS  24           HE2      LYS  24   0.657   6.487  -2.077
  169    HE3  LYS  24           HE1      LYS  24   1.021   7.698  -0.864
  170    HZ1  LYS  24           HZ1      LYS  24   1.074   9.387  -2.523
  171    HZ2  LYS  24           HZ2      LYS  24  -0.372   8.520  -2.691
  172    HZ3  LYS  24           HZ3      LYS  24   0.879   8.276  -3.782
  173    H    ARG  25           H        ARG  25   3.854   1.982  -1.763
  174    HA   ARG  25           HA       ARG  25   1.970   0.384  -3.332
  175    HB2  ARG  25           HB2      ARG  25   4.779  -0.331  -2.588
  176    HB3  ARG  25           HB1      ARG  25   3.683  -1.362  -3.487
  177    HG2  ARG  25           HG2      ARG  25   4.913   1.237  -4.385
  178    HG3  ARG  25           HG1      ARG  25   5.281  -0.380  -4.990
  179    HD2  ARG  25           HD2      ARG  25   2.874  -0.520  -5.750
  180    HD3  ARG  25           HD1      ARG  25   2.727   1.148  -5.249
  181    HE   ARG  25           HE       ARG  25   4.769   1.420  -6.808
  182   HH11  ARG  25          HH11      ARG  25   1.909  -0.601  -7.433
  183   HH12  ARG  25          HH12      ARG  25   1.871  -0.262  -9.098
  184   HH21  ARG  25          HH21      ARG  25   4.687   1.880  -9.091
  185   HH22  ARG  25          HH22      ARG  25   3.460   1.197 -10.054
  186    H    CYS  26           H        CYS  26   1.637  -1.754  -2.369
  187    HA   CYS  26           HA       CYS  26   1.078  -1.390   0.430
  188    HB2  CYS  26           HB2      CYS  26   0.440  -3.673  -1.440
  189    HB3  CYS  26           HB1      CYS  26  -0.157  -3.510   0.206
  190    H    ARG  27           H        ARG  27   1.888  -2.605   2.031
  191    HA   ARG  27           HA       ARG  27   4.585  -3.477   1.710
  192    HB2  ARG  27           HB2      ARG  27   3.539  -2.427   3.795
  193    HB3  ARG  27           HB1      ARG  27   2.792  -3.971   4.068
  194    HG2  ARG  27           HG2      ARG  27   4.931  -5.091   4.231
  195    HG3  ARG  27           HG1      ARG  27   5.757  -3.573   3.891
  196    HD2  ARG  27           HD2      ARG  27   4.954  -2.633   5.947
  197    HD3  ARG  27           HD1      ARG  27   3.997  -4.079   6.277
  198    HE   ARG  27           HE       ARG  27   6.332  -5.202   6.095
  199   HH11  ARG  27          HH11      ARG  27   5.733  -2.039   7.578
  200   HH12  ARG  27          HH12      ARG  27   6.917  -2.217   8.774
  201   HH21  ARG  27          HH21      ARG  27   7.908  -5.450   7.704
  202   HH22  ARG  27          HH22      ARG  27   8.243  -4.212   8.841
  203    H    LYS  28           H        LYS  28   5.415  -5.572   2.115
  204    HA   LYS  28           HA       LYS  28   3.710  -7.855   1.390
  205    HB2  LYS  28           HB2      LYS  28   6.636  -7.653   2.084
  206    HB3  LYS  28           HB1      LYS  28   5.828  -9.069   1.475
  207    HG2  LYS  28           HG2      LYS  28   5.339  -7.853  -0.625
  208    HG3  LYS  28           HG1      LYS  28   6.289  -6.497  -0.014
  209    HD2  LYS  28           HD2      LYS  28   8.244  -7.948   0.163
  210    HD3  LYS  28           HD1      LYS  28   7.296  -9.306  -0.447
  211    HE2  LYS  28           HE2      LYS  28   6.895  -8.050  -2.531
  212    HE3  LYS  28           HE1      LYS  28   7.904  -6.748  -1.911
  213    HZ1  LYS  28           HZ1      LYS  28   8.807  -9.526  -2.439
  214    HZ2  LYS  28           HZ2      LYS  28   9.775  -8.289  -1.843
  215    HZ3  LYS  28           HZ3      LYS  28   9.135  -8.187  -3.397
  216    H    TYR  29           H        TYR  29   4.536  -9.778   2.707
  217    HA   TYR  29           HA       TYR  29   3.424  -9.498   5.295
  218    HB2  TYR  29           HB2      TYR  29   5.026 -11.627   3.958
  219    HB3  TYR  29           HB1      TYR  29   4.597 -11.770   5.653
  220    HD1  TYR  29           HD1      TYR  29   3.594 -12.458   2.316
  221    HD2  TYR  29           HD2      TYR  29   1.983 -11.445   6.123
  222    HE1  TYR  29           HE1      TYR  29   1.406 -13.275   1.596
  223    HE2  TYR  29           HE2      TYR  29  -0.212 -12.269   5.425
  224    HH   TYR  29           HH       TYR  29  -1.456 -12.634   3.284
  225    H    TYR  30           H        TYR  30   6.609  -9.793   4.114
  226    HA   TYR  30           HA       TYR  30   8.207  -9.346   6.343
  227    HB2  TYR  30           HB2      TYR  30   8.608  -8.288   3.535
  228    HB3  TYR  30           HB1      TYR  30   9.835  -8.255   4.791
  229    HD1  TYR  30           HD1      TYR  30   8.098 -10.316   2.333
  230    HD2  TYR  30           HD2      TYR  30  10.868 -10.341   5.557
  231    HE1  TYR  30           HE1      TYR  30   8.880 -12.545   1.644
  232    HE2  TYR  30           HE2      TYR  30  11.653 -12.545   4.883
  233    HH   TYR  30           HH       TYR  30  10.805 -14.488   3.621
  Start of MODEL    8
    1    H1   CYS   1           HT1      CYS   1  -8.268  -7.881  -0.475
    2    H2   CYS   1           HT2      CYS   1  -9.191  -6.915  -1.487
    3    H3   CYS   1           HT3      CYS   1  -9.520  -6.947   0.177
    4    HA   CYS   1           HA       CYS   1  -8.358  -4.947  -0.444
    5    HB2  CYS   1           HB2      CYS   1  -6.329  -5.312   1.061
    6    HB3  CYS   1           HB1      CYS   1  -7.905  -5.618   1.770
    7    H    LYS   2           H        LYS   2  -6.136  -4.082  -0.954
    8    HA   LYS   2           HA       LYS   2  -5.211  -5.329  -3.379
    9    HB2  LYS   2           HB2      LYS   2  -4.126  -2.894  -1.917
   10    HB3  LYS   2           HB1      LYS   2  -3.477  -3.525  -3.399
   11    HG2  LYS   2           HG2      LYS   2  -5.502  -3.035  -4.593
   12    HG3  LYS   2           HG1      LYS   2  -6.287  -2.505  -3.100
   13    HD2  LYS   2           HD2      LYS   2  -4.778  -0.672  -2.864
   14    HD3  LYS   2           HD1      LYS   2  -3.771  -1.259  -4.187
   15    HE2  LYS   2           HE2      LYS   2  -5.182   0.661  -4.833
   16    HE3  LYS   2           HE1      LYS   2  -5.534  -0.785  -5.774
   17    HZ1  LYS   2           HZ1      LYS   2  -7.124  -0.046  -3.389
   18    HZ2  LYS   2           HZ2      LYS   2  -7.539  -1.097  -4.637
   19    HZ3  LYS   2           HZ3      LYS   2  -7.471   0.555  -4.922
   20    HA   PRO   3           HA       PRO   3  -2.267  -7.900  -1.392
   21    HB2  PRO   3           HB2      PRO   3  -0.818  -8.621  -3.573
   22    HB3  PRO   3           HB1      PRO   3  -2.442  -9.249  -3.267
   23    HG2  PRO   3           HG2      PRO   3  -1.586  -7.014  -5.068
   24    HG3  PRO   3           HG1      PRO   3  -2.741  -8.323  -5.381
   25    HD2  PRO   3           HD2      PRO   3  -3.523  -5.836  -4.688
   26    HD3  PRO   3           HD1      PRO   3  -4.429  -7.286  -4.211
   27    HA   HYP   4           HA       HYP   4   1.347  -5.462  -0.530
   28    HB2  HYP   4           HB1      HYP   4   2.864  -6.846   0.495
   29    HB3  HYP   4           HB2      HYP   4   2.813  -8.054  -0.804
   30    HG   HYP   4           HG       HYP   4   1.505  -8.998   0.990
   31   HD22  HYP   4          HD11      HYP   4  -0.883  -8.346  -0.002
   32   HD23  HYP   4          HD12      HYP   4   0.280  -9.171  -1.073
   33    HD1  HYP   4           HD2      HYP   4   1.290  -6.628   1.764
   34    H    GLY   5           H        GLY   5   2.538  -4.254  -1.826
   35    HA2  GLY   5           HA2      GLY   5   4.159  -3.895  -3.465
   36    HA3  GLY   5           HA1      GLY   5   3.747  -5.443  -4.182
   37    H    SER   6           H        SER   6   0.810  -4.504  -3.854
   38    HA   SER   6           HA       SER   6   0.560  -3.494  -6.479
   39    HB2  SER   6           HB2      SER   6  -1.312  -4.616  -5.704
   40    HB3  SER   6           HB1      SER   6  -1.481  -3.594  -4.233
   41    HG   SER   6           HG       SER   6  -2.265  -1.987  -5.627
   42    H    LYS   7           H        LYS   7  -0.563  -1.707  -6.819
   43    HA   LYS   7           HA       LYS   7   0.770   0.561  -5.482
   44    HB2  LYS   7           HB2      LYS   7   0.359   2.024  -7.360
   45    HB3  LYS   7           HB1      LYS   7   0.954   0.519  -8.008
   46    HG2  LYS   7           HG2      LYS   7  -1.946   1.343  -7.973
   47    HG3  LYS   7           HG1      LYS   7  -0.856   1.592  -9.332
   48    HD2  LYS   7           HD2      LYS   7  -0.521  -0.875  -9.404
   49    HD3  LYS   7           HD1      LYS   7  -1.772  -1.032  -8.164
   50    HE2  LYS   7           HE2      LYS   7  -2.113   0.204 -10.892
   51    HE3  LYS   7           HE1      LYS   7  -2.666  -1.397 -10.416
   52    HZ1  LYS   7           HZ1      LYS   7  -3.646   1.195  -9.311
   53    HZ2  LYS   7           HZ2      LYS   7  -4.180  -0.324  -8.815
   54    HZ3  LYS   7           HZ3      LYS   7  -4.436   0.184 -10.398
   55    H    CYS   8           H        CYS   8  -0.351   2.157  -4.445
   56    HA   CYS   8           HA       CYS   8  -3.256   1.813  -4.339
   57    HB2  CYS   8           HB2      CYS   8  -3.031   1.986  -1.840
   58    HB3  CYS   8           HB1      CYS   8  -2.674   0.441  -2.593
   59    H    SER   9           H        SER   9  -4.279   3.455  -2.970
   60    HA   SER   9           HA       SER   9  -3.051   5.978  -3.323
   61    HB2  SER   9           HB2      SER   9  -5.731   5.132  -2.305
   62    HB3  SER   9           HB1      SER   9  -5.176   6.744  -2.769
   63    HG   SER   9           HG       SER   9  -6.324   4.995  -4.314
   64    HA   HYP  10           HA       HYP  10  -1.475   5.346   0.755
   65    HB2  HYP  10           HB1      HYP  10   0.281   6.730   0.494
   66    HB3  HYP  10           HB2      HYP  10  -0.728   8.139   0.862
   67    HG   HYP  10           HG       HYP  10  -0.183   8.468  -1.502
   68   HD22  HYP  10          HD11      HYP  10  -2.347   7.562  -2.555
   69   HD23  HYP  10          HD12      HYP  10  -2.609   8.419  -1.009
   70    HD1  HYP  10           HD2      HYP  10  -0.946   5.867  -1.949
   71    H    SER  11           H        SER  11  -4.267   7.116   0.375
   72    HA   SER  11           HA       SER  11  -4.445   7.509   3.266
   73    HB2  SER  11           HB2      SER  11  -6.177   9.279   2.582
   74    HB3  SER  11           HB1      SER  11  -4.473   9.669   2.326
   75    HG   SER  11           HG       SER  11  -6.462   9.433   0.514
   76    H    MET  12           H        MET  12  -5.279   5.372   1.038
   77    HA   MET  12           HA       MET  12  -8.075   5.252   1.852
   78    HB2  MET  12           HB2      MET  12  -6.726   3.964  -0.510
   79    HB3  MET  12           HB1      MET  12  -8.385   3.611  -0.041
   80    HG2  MET  12           HG2      MET  12  -8.994   5.944  -0.352
   81    HG3  MET  12           HG1      MET  12  -7.330   6.338  -0.768
   82    HE1  MET  12           HE1      MET  12  -8.185   7.544  -2.965
   83    HE2  MET  12           HE2      MET  12  -9.853   7.135  -2.558
   84    HE3  MET  12          3HE       MET  12  -9.225   6.777  -4.165
   85    H    ARG  13           H        ARG  13  -5.152   3.682   2.245
   86    HA   ARG  13           HA       ARG  13  -4.409   1.870   3.414
   87    HB2  ARG  13           HB2      ARG  13  -5.353   3.477   5.016
   88    HB3  ARG  13           HB1      ARG  13  -6.864   2.606   4.945
   89    HG2  ARG  13           HG2      ARG  13  -5.605   0.621   5.897
   90    HG3  ARG  13           HG1      ARG  13  -4.215   1.691   6.090
   91    HD2  ARG  13           HD2      ARG  13  -5.398   1.574   8.197
   92    HD3  ARG  13           HD1      ARG  13  -5.621   3.176   7.502
   93    HE   ARG  13           HE       ARG  13  -7.785   2.112   6.597
   94   HH11  ARG  13          HH11      ARG  13  -6.434   1.620   9.835
   95   HH12  ARG  13          HH12      ARG  13  -7.903   1.140  10.536
   96   HH21  ARG  13          HH21      ARG  13  -9.787   1.529   7.530
   97   HH22  ARG  13          HH22      ARG  13  -9.917   1.101   9.166
   98    H    ASP  14           H        ASP  14  -6.149   1.124   1.209
   99    HA   ASP  14           HA       ASP  14  -7.843  -0.977   2.295
  100    HB2  ASP  14           HB2      ASP  14  -8.823  -1.129   0.140
  101    HB3  ASP  14           HB1      ASP  14  -8.732   0.576   0.577
  102    H    CYS  15           H        CYS  15  -4.806  -0.876   1.799
  103    HA   CYS  15           HA       CYS  15  -4.387  -3.301   0.282
  104    HB2  CYS  15           HB2      CYS  15  -2.469  -1.943   2.177
  105    HB3  CYS  15           HB1      CYS  15  -2.095  -3.199   1.045
  106    H    CYS  16           H        CYS  16  -3.734  -5.253   1.165
  107    HA   CYS  16           HA       CYS  16  -5.151  -6.188   3.348
  108    HB2  CYS  16           HB2      CYS  16  -2.654  -7.278   2.099
  109    HB3  CYS  16           HB1      CYS  16  -3.773  -8.169   3.120
  110    H    THR  17           H        THR  17  -1.979  -4.812   3.216
  111    HA   THR  17           HA       THR  17  -1.600  -5.291   6.075
  112    HB   THR  17           HB       THR  17   0.733  -4.390   5.488
  113    HG1  THR  17           HG1      THR  17   1.168  -4.785   3.161
  114   HG21  THR  17          HG21      THR  17   1.470  -6.579   4.600
  115   HG22  THR  17          HG22      THR  17  -0.203  -6.977   4.206
  116   HG23  THR  17          HG23      THR  17   0.287  -6.790   5.890
  117    H    THR  18           H        THR  18  -0.451  -2.786   3.960
  118    HA   THR  18           HA       THR  18  -2.250  -0.768   4.641
  119    HB   THR  18           HB       THR  18  -0.958  -0.875   6.795
  120    HG1  THR  18           HG1      THR  18  -1.290   1.189   6.895
  121   HG21  THR  18          HG21      THR  18   1.373  -0.034   6.848
  122   HG22  THR  18          HG22      THR  18   1.381   0.012   5.086
  123   HG23  THR  18          HG23      THR  18   1.242  -1.532   5.925
  124    H    CYS  19           H        CYS  19  -1.199   1.370   3.769
  125    HA   CYS  19           HA       CYS  19   0.158   0.618   1.275
  126    HB2  CYS  19           HB2      CYS  19  -2.074   1.507   0.950
  127    HB3  CYS  19           HB1      CYS  19  -1.681   2.959   1.871
  128    H    ILE  20           H        ILE  20   2.159   1.202   1.173
  129    HA   ILE  20           HA       ILE  20   3.424   2.857   3.116
  130    HB   ILE  20           HB       ILE  20   4.515   1.892   0.455
  131   HG12  ILE  20          HG12      ILE  20   4.509   0.524   3.151
  132   HG13  ILE  20          HG11      ILE  20   3.705  -0.012   1.699
  133   HG21  ILE  20          HG21      ILE  20   6.701   2.123   1.539
  134   HG22  ILE  20          HG22      ILE  20   5.905   2.703   3.002
  135   HG23  ILE  20          HG23      ILE  20   5.823   3.656   1.521
  136   HD11  ILE  20          HD11      ILE  20   6.697   0.200   1.983
  137   HD12  ILE  20          HD12      ILE  20   5.819  -0.423   0.584
  138   HD13  ILE  20          HD13      ILE  20   5.770  -1.290   2.119
  139    H    SER  21           H        SER  21   3.153   4.990   3.036
  140    HA   SER  21           HA       SER  21   2.190   6.354   0.776
  141    HB2  SER  21           HB2      SER  21   1.739   7.038   3.113
  142    HB3  SER  21           HB1      SER  21   3.430   7.498   3.290
  143    HG   SER  21           HG       SER  21   3.046   9.265   2.307
  144    H    TYR  22           H        TYR  22   5.359   5.535   1.721
  145    HA   TYR  22           HA       TYR  22   6.779   7.569   0.295
  146    HB2  TYR  22           HB2      TYR  22   7.681   6.211   2.177
  147    HB3  TYR  22           HB1      TYR  22   7.625   4.813   1.147
  148    HD1  TYR  22           HD1      TYR  22   9.107   8.231   1.147
  149    HD2  TYR  22           HD2      TYR  22   9.536   4.154   0.030
  150    HE1  TYR  22           HE1      TYR  22  11.365   8.696   0.360
  151    HE2  TYR  22           HE2      TYR  22  11.810   4.605  -0.772
  152    HH   TYR  22           HH       TYR  22  13.404   7.588  -0.095
  153    H    THR  23           H        THR  23   6.237   4.153  -0.266
  154    HA   THR  23           HA       THR  23   7.328   4.257  -2.940
  155    HB   THR  23           HB       THR  23   6.062   1.865  -1.633
  156    HG1  THR  23           HG1      THR  23   8.652   1.950  -1.072
  157   HG21  THR  23          HG21      THR  23   7.877   0.693  -2.829
  158   HG22  THR  23          HG22      THR  23   8.483   2.238  -3.422
  159   HG23  THR  23          HG23      THR  23   6.910   1.651  -3.950
  160    H    LYS  24           H        LYS  24   4.240   4.481  -1.511
  161    HA   LYS  24           HA       LYS  24   2.129   4.633  -2.187
  162    HB2  LYS  24           HB2      LYS  24   2.743   4.420  -5.104
  163    HB3  LYS  24           HB1      LYS  24   1.550   5.364  -4.286
  164    HG2  LYS  24           HG2      LYS  24   4.479   6.066  -4.280
  165    HG3  LYS  24           HG1      LYS  24   3.253   6.817  -5.295
  166    HD2  LYS  24           HD2      LYS  24   2.119   7.677  -3.333
  167    HD3  LYS  24           HD1      LYS  24   3.256   6.829  -2.281
  168    HE2  LYS  24           HE2      LYS  24   5.088   8.116  -3.150
  169    HE3  LYS  24           HE1      LYS  24   4.028   8.950  -4.278
  170    HZ1  LYS  24           HZ1      LYS  24   3.921   9.058  -1.326
  171    HZ2  LYS  24           HZ2      LYS  24   2.840   9.850  -2.327
  172    HZ3  LYS  24           HZ3      LYS  24   4.484  10.289  -2.334
  173    H    ARG  25           H        ARG  25   3.444   2.165  -1.808
  174    HA   ARG  25           HA       ARG  25   1.859   0.365  -3.500
  175    HB2  ARG  25           HB2      ARG  25   4.654  -0.152  -2.496
  176    HB3  ARG  25           HB1      ARG  25   3.662  -1.295  -3.369
  177    HG2  ARG  25           HG2      ARG  25   4.787   1.284  -4.453
  178    HG3  ARG  25           HG1      ARG  25   5.308  -0.353  -4.866
  179    HD2  ARG  25           HD2      ARG  25   2.922  -0.747  -5.663
  180    HD3  ARG  25           HD1      ARG  25   2.700   0.974  -5.417
  181    HE   ARG  25           HE       ARG  25   4.364   1.397  -7.093
  182   HH11  ARG  25          HH11      ARG  25   3.174  -1.953  -6.987
  183   HH12  ARG  25          HH12      ARG  25   3.301  -2.166  -8.661
  184   HH21  ARG  25          HH21      ARG  25   4.559   1.048  -9.378
  185   HH22  ARG  25          HH22      ARG  25   4.120  -0.443 -10.063
  186    H    CYS  26           H        CYS  26   1.557  -1.758  -2.442
  187    HA   CYS  26           HA       CYS  26   0.723  -1.224   0.269
  188    HB2  CYS  26           HB2      CYS  26   0.405  -3.690  -1.444
  189    HB3  CYS  26           HB1      CYS  26  -0.328  -3.467   0.136
  190    H    ARG  27           H        ARG  27   1.565  -2.100   2.043
  191    HA   ARG  27           HA       ARG  27   4.327  -2.679   1.969
  192    HB2  ARG  27           HB2      ARG  27   2.964  -1.646   3.896
  193    HB3  ARG  27           HB1      ARG  27   2.545  -3.293   4.295
  194    HG2  ARG  27           HG2      ARG  27   4.875  -3.907   4.556
  195    HG3  ARG  27           HG1      ARG  27   5.360  -2.270   4.129
  196    HD2  ARG  27           HD2      ARG  27   4.217  -1.427   6.110
  197    HD3  ARG  27           HD1      ARG  27   3.743  -3.080   6.516
  198    HE   ARG  27           HE       ARG  27   6.540  -2.856   6.135
  199   HH11  ARG  27          HH11      ARG  27   3.995  -2.383   8.539
  200   HH12  ARG  27          HH12      ARG  27   5.050  -2.440   9.872
  201   HH21  ARG  27          HH21      ARG  27   7.973  -2.957   7.927
  202   HH22  ARG  27          HH22      ARG  27   7.392  -2.785   9.520
  203    H    LYS  28           H        LYS  28   5.442  -4.543   2.587
  204    HA   LYS  28           HA       LYS  28   4.455  -7.051   1.577
  205    HB2  LYS  28           HB2      LYS  28   6.835  -6.540   3.323
  206    HB3  LYS  28           HB1      LYS  28   6.560  -7.870   2.241
  207    HG2  LYS  28           HG2      LYS  28   6.835  -6.495   0.308
  208    HG3  LYS  28           HG1      LYS  28   6.957  -5.041   1.304
  209    HD2  LYS  28           HD2      LYS  28   8.942  -6.002   2.402
  210    HD3  LYS  28           HD1      LYS  28   8.829  -7.395   1.334
  211    HE2  LYS  28           HE2      LYS  28   9.171  -5.922  -0.596
  212    HE3  LYS  28           HE1      LYS  28   9.292  -4.536   0.488
  213    HZ1  LYS  28           HZ1      LYS  28  11.244  -5.572   1.520
  214    HZ2  LYS  28           HZ2      LYS  28  11.494  -5.379  -0.128
  215    HZ3  LYS  28           HZ3      LYS  28  11.102  -6.885   0.486
  216    H    TYR  29           H        TYR  29   4.938  -8.947   3.051
  217    HA   TYR  29           HA       TYR  29   3.470  -8.619   5.553
  218    HB2  TYR  29           HB2      TYR  29   4.428 -11.047   4.025
  219    HB3  TYR  29           HB1      TYR  29   3.754 -11.152   5.636
  220    HD1  TYR  29           HD1      TYR  29   3.068 -11.082   2.130
  221    HD2  TYR  29           HD2      TYR  29   1.323 -10.352   5.939
  222    HE1  TYR  29           HE1      TYR  29   0.830 -11.285   1.145
  223    HE2  TYR  29           HE2      TYR  29  -0.912 -10.552   4.968
  224    HH   TYR  29           HH       TYR  29  -2.031 -10.428   2.853
  225    H    TYR  30           H        TYR  30   6.382 -10.163   4.309
  226    HA   TYR  30           HA       TYR  30   7.797  -9.328   6.657
  227    HB2  TYR  30           HB2      TYR  30   8.044 -11.991   5.235
  228    HB3  TYR  30           HB1      TYR  30   9.015 -11.469   6.605
  229    HD1  TYR  30           HD1      TYR  30   7.794 -11.017   8.805
  230    HD2  TYR  30           HD2      TYR  30   6.009 -13.099   5.571
  231    HE1  TYR  30           HE1      TYR  30   6.125 -11.950  10.343
  232    HE2  TYR  30           HE2      TYR  30   4.331 -14.038   7.078
  233    HH   TYR  30           HH       TYR  30   3.894 -12.899  10.284
  Start of MODEL    9
    1    H1   CYS   1           HT1      CYS   1  -8.335  -7.826  -0.253
    2    H2   CYS   1           HT2      CYS   1  -9.160  -6.679  -1.155
    3    H3   CYS   1           HT3      CYS   1  -9.475  -6.813   0.490
    4    HA   CYS   1           HA       CYS   1  -8.084  -4.925   0.064
    5    HB2  CYS   1           HB2      CYS   1  -6.071  -5.619   1.386
    6    HB3  CYS   1           HB1      CYS   1  -7.614  -5.917   2.154
    7    H    LYS   2           H        LYS   2  -6.050  -4.151  -0.605
    8    HA   LYS   2           HA       LYS   2  -5.259  -5.273  -3.133
    9    HB2  LYS   2           HB2      LYS   2  -4.123  -2.921  -1.600
   10    HB3  LYS   2           HB1      LYS   2  -3.465  -3.495  -3.107
   11    HG2  LYS   2           HG2      LYS   2  -5.586  -3.002  -4.224
   12    HG3  LYS   2           HG1      LYS   2  -6.229  -2.389  -2.694
   13    HD2  LYS   2           HD2      LYS   2  -4.548  -0.673  -2.602
   14    HD3  LYS   2           HD1      LYS   2  -3.724  -1.344  -4.005
   15    HE2  LYS   2           HE2      LYS   2  -4.990   0.630  -4.612
   16    HE3  LYS   2           HE1      LYS   2  -5.665  -0.799  -5.390
   17    HZ1  LYS   2           HZ1      LYS   2  -7.359   0.686  -4.464
   18    HZ2  LYS   2           HZ2      LYS   2  -6.765   0.383  -2.893
   19    HZ3  LYS   2           HZ3      LYS   2  -7.410  -0.846  -3.792
   20    HA   PRO   3           HA       PRO   3  -2.219  -8.009  -1.509
   21    HB2  PRO   3           HB2      PRO   3  -0.935  -8.568  -3.858
   22    HB3  PRO   3           HB1      PRO   3  -2.500  -9.262  -3.428
   23    HG2  PRO   3           HG2      PRO   3  -1.884  -6.955  -5.225
   24    HG3  PRO   3           HG1      PRO   3  -3.074  -8.250  -5.435
   25    HD2  PRO   3           HD2      PRO   3  -3.728  -5.764  -4.581
   26    HD3  PRO   3           HD1      PRO   3  -4.617  -7.215  -4.084
   27    HA   HYP   4           HA       HYP   4   1.419  -5.595  -0.658
   28    HB2  HYP   4           HB1      HYP   4   2.266  -7.271   0.654
   29    HB3  HYP   4           HB2      HYP   4   3.325  -7.582  -0.727
   30    HG   HYP   4           HG       HYP   4   2.054  -9.347  -1.462
   31   HD22  HYP   4          HD11      HYP   4  -0.350  -8.462   0.117
   32   HD23  HYP   4          HD12      HYP   4  -0.300  -9.202  -1.496
   33    HD1  HYP   4           HD2      HYP   4   2.537 -10.102   0.390
   34    H    GLY   5           H        GLY   5   2.379  -4.323  -2.033
   35    HA2  GLY   5           HA2      GLY   5   4.039  -3.951  -3.706
   36    HA3  GLY   5           HA1      GLY   5   3.556  -5.465  -4.445
   37    H    SER   6           H        SER   6   0.668  -4.449  -3.901
   38    HA   SER   6           HA       SER   6   0.266  -3.364  -6.462
   39    HB2  SER   6           HB2      SER   6  -1.567  -4.408  -5.609
   40    HB3  SER   6           HB1      SER   6  -1.559  -3.470  -4.066
   41    HG   SER   6           HG       SER   6  -2.331  -1.713  -5.344
   42    H    LYS   7           H        LYS   7  -0.809  -1.546  -6.719
   43    HA   LYS   7           HA       LYS   7   0.733   0.730  -5.629
   44    HB2  LYS   7           HB2      LYS   7   0.681   0.551  -8.112
   45    HB3  LYS   7           HB1      LYS   7  -1.069   0.637  -8.077
   46    HG2  LYS   7           HG2      LYS   7  -1.004   2.933  -7.352
   47    HG3  LYS   7           HG1      LYS   7   0.740   2.852  -7.136
   48    HD2  LYS   7           HD2      LYS   7   0.181   4.018  -9.207
   49    HD3  LYS   7           HD1      LYS   7   1.042   2.519  -9.543
   50    HE2  LYS   7           HE2      LYS   7  -0.763   2.801 -11.128
   51    HE3  LYS   7           HE1      LYS   7  -1.130   1.440 -10.077
   52    HZ1  LYS   7           HZ1      LYS   7  -3.061   2.811 -10.416
   53    HZ2  LYS   7           HZ2      LYS   7  -2.277   4.187  -9.866
   54    HZ3  LYS   7           HZ3      LYS   7  -2.601   2.911  -8.807
   55    H    CYS   8           H        CYS   8  -0.273   2.366  -4.430
   56    HA   CYS   8           HA       CYS   8  -3.162   2.270  -4.232
   57    HB2  CYS   8           HB2      CYS   8  -2.937   2.166  -1.761
   58    HB3  CYS   8           HB1      CYS   8  -2.697   0.664  -2.649
   59    H    SER   9           H        SER   9  -3.958   3.876  -2.646
   60    HA   SER   9           HA       SER   9  -2.377   6.253  -2.753
   61    HB2  SER   9           HB2      SER   9  -4.580   7.190  -2.158
   62    HB3  SER   9           HB1      SER   9  -4.492   6.488  -3.792
   63    HG   SER   9           HG       SER   9  -5.858   4.966  -3.168
   64    HA   HYP  10           HA       HYP  10  -1.842   5.673   1.607
   65    HB2  HYP  10           HB1      HYP  10  -0.173   7.191   1.790
   66    HB3  HYP  10           HB2      HYP  10  -1.367   8.461   2.075
   67    HG   HYP  10           HG       HYP  10  -0.474   9.209  -0.006
   68   HD22  HYP  10          HD11      HYP  10  -1.969   7.956  -1.771
   69   HD23  HYP  10          HD12      HYP  10  -2.828   8.706  -0.397
   70    HD1  HYP  10           HD2      HYP  10  -0.437   6.739  -1.107
   71    H    SER  11           H        SER  11  -4.440   7.304   0.353
   72    HA   SER  11           HA       SER  11  -5.556   8.277   2.810
   73    HB2  SER  11           HB2      SER  11  -7.400   8.867   1.176
   74    HB3  SER  11           HB1      SER  11  -5.844   9.660   0.909
   75    HG   SER  11           HG       SER  11  -7.060   8.534  -0.925
   76    H    MET  12           H        MET  12  -6.242   5.904   0.281
   77    HA   MET  12           HA       MET  12  -8.458   4.792   1.678
   78    HB2  MET  12           HB2      MET  12  -6.967   3.769  -0.729
   79    HB3  MET  12           HB1      MET  12  -8.429   3.036  -0.086
   80    HG2  MET  12           HG2      MET  12  -8.192   5.849  -1.121
   81    HG3  MET  12           HG1      MET  12  -8.886   4.493  -2.002
   82    HE1  MET  12           HE1      MET  12 -11.993   6.720  -1.107
   83    HE2  MET  12           HE2      MET  12 -11.074   5.960  -2.408
   84    HE3  MET  12          3HE       MET  12 -10.367   7.286  -1.483
   85    H    ARG  13           H        ARG  13  -5.286   3.713   1.007
   86    HA   ARG  13           HA       ARG  13  -3.854   2.196   2.043
   87    HB2  ARG  13           HB2      ARG  13  -4.082   3.934   3.679
   88    HB3  ARG  13           HB1      ARG  13  -5.566   3.246   4.274
   89    HG2  ARG  13           HG2      ARG  13  -4.281   1.377   5.239
   90    HG3  ARG  13           HG1      ARG  13  -2.791   2.077   4.590
   91    HD2  ARG  13           HD2      ARG  13  -3.131   2.645   6.976
   92    HD3  ARG  13           HD1      ARG  13  -3.092   4.063   5.929
   93    HE   ARG  13           HE       ARG  13  -5.735   3.024   6.470
   94   HH11  ARG  13          HH11      ARG  13  -3.276   5.362   7.497
   95   HH12  ARG  13          HH12      ARG  13  -4.376   6.350   8.331
   96   HH21  ARG  13          HH21      ARG  13  -7.217   4.372   7.616
   97   HH22  ARG  13          HH22      ARG  13  -6.649   5.768   8.434
   98    H    ASP  14           H        ASP  14  -6.189   1.084   0.810
   99    HA   ASP  14           HA       ASP  14  -7.419  -0.881   2.530
  100    HB2  ASP  14           HB2      ASP  14  -8.738  -1.453   0.604
  101    HB3  ASP  14           HB1      ASP  14  -8.744   0.298   0.836
  102    H    CYS  15           H        CYS  15  -4.598  -1.070   1.914
  103    HA   CYS  15           HA       CYS  15  -4.239  -3.439   0.307
  104    HB2  CYS  15           HB2      CYS  15  -2.344  -2.185   2.296
  105    HB3  CYS  15           HB1      CYS  15  -1.939  -3.387   1.098
  106    H    CYS  16           H        CYS  16  -3.458  -5.445   1.193
  107    HA   CYS  16           HA       CYS  16  -4.970  -6.373   3.349
  108    HB2  CYS  16           HB2      CYS  16  -2.494  -7.517   2.089
  109    HB3  CYS  16           HB1      CYS  16  -3.587  -8.394   3.147
  110    H    THR  17           H        THR  17  -1.772  -5.056   3.195
  111    HA   THR  17           HA       THR  17  -1.406  -5.433   6.072
  112    HB   THR  17           HB       THR  17   0.910  -4.488   5.492
  113    HG1  THR  17           HG1      THR  17   1.316  -4.944   3.124
  114   HG21  THR  17          HG21      THR  17   0.528  -6.896   5.890
  115   HG22  THR  17          HG22      THR  17   1.711  -6.645   4.608
  116   HG23  THR  17          HG23      THR  17   0.053  -7.093   4.203
  117    H    THR  18           H        THR  18  -0.228  -2.908   3.977
  118    HA   THR  18           HA       THR  18  -1.950  -0.840   4.818
  119    HB   THR  18           HB       THR  18  -0.507  -1.070   6.868
  120    HG1  THR  18           HG1      THR  18   0.487   1.283   6.382
  121   HG21  THR  18          HG21      THR  18   1.750  -0.332   4.993
  122   HG22  THR  18          HG22      THR  18   1.541  -1.887   5.800
  123   HG23  THR  18          HG23      THR  18   1.874  -0.441   6.748
  124    H    CYS  19           H        CYS  19  -1.010   1.223   3.853
  125    HA   CYS  19           HA       CYS  19   0.332   0.534   1.336
  126    HB2  CYS  19           HB2      CYS  19  -1.932   1.373   1.028
  127    HB3  CYS  19           HB1      CYS  19  -1.567   2.809   1.983
  128    H    ILE  20           H        ILE  20   2.302   1.281   1.153
  129    HA   ILE  20           HA       ILE  20   3.396   3.054   3.162
  130    HB   ILE  20           HB       ILE  20   4.779   2.106   0.642
  131   HG12  ILE  20          HG12      ILE  20   4.497   0.515   3.239
  132   HG13  ILE  20          HG11      ILE  20   3.830   0.114   1.680
  133   HG21  ILE  20          HG21      ILE  20   6.799   2.301   2.017
  134   HG22  ILE  20          HG22      ILE  20   5.812   2.781   3.398
  135   HG23  ILE  20          HG23      ILE  20   5.896   3.819   1.973
  136   HD11  ILE  20          HD11      ILE  20   6.026  -0.209   0.746
  137   HD12  ILE  20          HD12      ILE  20   5.825  -1.193   2.198
  138   HD13  ILE  20          HD13      ILE  20   6.769   0.291   2.263
  139    H    SER  21           H        SER  21   3.117   5.219   2.860
  140    HA   SER  21           HA       SER  21   2.085   6.326   0.479
  141    HB2  SER  21           HB2      SER  21   1.657   7.340   2.672
  142    HB3  SER  21           HB1      SER  21   3.372   7.691   2.849
  143    HG   SER  21           HG       SER  21   2.604   8.675   0.535
  144    H    TYR  22           H        TYR  22   5.282   5.866   1.651
  145    HA   TYR  22           HA       TYR  22   6.758   7.687   0.095
  146    HB2  TYR  22           HB2      TYR  22   7.620   6.411   2.020
  147    HB3  TYR  22           HB1      TYR  22   7.449   4.944   1.115
  148    HD1  TYR  22           HD1      TYR  22   9.314   4.019   0.193
  149    HD2  TYR  22           HD2      TYR  22   9.201   8.237   0.704
  150    HE1  TYR  22           HE1      TYR  22  11.611   4.163  -0.612
  151    HE2  TYR  22           HE2      TYR  22  11.512   8.397  -0.105
  152    HH   TYR  22           HH       TYR  22  13.124   5.731  -1.562
  153    H    THR  23           H        THR  23   6.157   4.286  -0.374
  154    HA   THR  23           HA       THR  23   7.218   4.261  -3.058
  155    HB   THR  23           HB       THR  23   5.812   1.967  -1.728
  156    HG1  THR  23           HG1      THR  23   8.028   1.633  -0.781
  157   HG21  THR  23          HG21      THR  23   8.340   2.169  -3.393
  158   HG22  THR  23          HG22      THR  23   6.755   1.732  -4.017
  159   HG23  THR  23          HG23      THR  23   7.557   0.678  -2.859
  160    H    LYS  24           H        LYS  24   4.111   4.591  -1.571
  161    HA   LYS  24           HA       LYS  24   1.991   4.475  -2.123
  162    HB2  LYS  24           HB2      LYS  24   2.748   4.758  -5.038
  163    HB3  LYS  24           HB1      LYS  24   1.217   5.015  -4.303
  164    HG2  LYS  24           HG2      LYS  24   2.045   7.203  -4.755
  165    HG3  LYS  24           HG1      LYS  24   2.090   6.955  -3.012
  166    HD2  LYS  24           HD2      LYS  24   4.507   6.456  -3.195
  167    HD3  LYS  24           HD1      LYS  24   4.426   6.804  -4.923
  168    HE2  LYS  24           HE2      LYS  24   3.710   9.100  -4.416
  169    HE3  LYS  24           HE1      LYS  24   3.793   8.727  -2.693
  170    HZ1  LYS  24           HZ1      LYS  24   6.188   8.298  -2.977
  171    HZ2  LYS  24           HZ2      LYS  24   5.762   9.876  -3.395
  172    HZ3  LYS  24           HZ3      LYS  24   6.054   8.765  -4.596
  173    H    ARG  25           H        ARG  25   3.308   2.150  -1.765
  174    HA   ARG  25           HA       ARG  25   1.783   0.358  -3.481
  175    HB2  ARG  25           HB2      ARG  25   4.633  -0.158  -2.642
  176    HB3  ARG  25           HB1      ARG  25   3.612  -1.295  -3.493
  177    HG2  ARG  25           HG2      ARG  25   4.744   1.294  -4.546
  178    HG3  ARG  25           HG1      ARG  25   5.185  -0.338  -5.043
  179    HD2  ARG  25           HD2      ARG  25   2.819  -0.622  -5.854
  180    HD3  ARG  25           HD1      ARG  25   2.582   1.071  -5.419
  181    HE   ARG  25           HE       ARG  25   4.221   0.062  -7.595
  182   HH11  ARG  25          HH11      ARG  25   2.778   2.827  -5.898
  183   HH12  ARG  25          HH12      ARG  25   3.176   3.948  -7.115
  184   HH21  ARG  25          HH21      ARG  25   4.672   1.571  -9.271
  185   HH22  ARG  25          HH22      ARG  25   4.272   3.217  -9.109
  186    H    CYS  26           H        CYS  26   1.569  -1.785  -2.466
  187    HA   CYS  26           HA       CYS  26   0.865  -1.339   0.299
  188    HB2  CYS  26           HB2      CYS  26   0.473  -3.745  -1.478
  189    HB3  CYS  26           HB1      CYS  26  -0.194  -3.563   0.142
  190    H    ARG  27           H        ARG  27   1.824  -2.188   1.997
  191    HA   ARG  27           HA       ARG  27   4.567  -2.882   1.868
  192    HB2  ARG  27           HB2      ARG  27   3.225  -1.852   3.826
  193    HB3  ARG  27           HB1      ARG  27   2.723  -3.478   4.145
  194    HG2  ARG  27           HG2      ARG  27   5.067  -4.205   4.394
  195    HG3  ARG  27           HG1      ARG  27   5.577  -2.523   4.218
  196    HD2  ARG  27           HD2      ARG  27   4.270  -1.934   6.201
  197    HD3  ARG  27           HD1      ARG  27   3.753  -3.611   6.355
  198    HE   ARG  27           HE       ARG  27   6.603  -3.276   6.323
  199   HH11  ARG  27          HH11      ARG  27   3.742  -3.394   8.396
  200   HH12  ARG  27          HH12      ARG  27   4.609  -3.700   9.828
  201   HH21  ARG  27          HH21      ARG  27   7.789  -3.724   8.258
  202   HH22  ARG  27          HH22      ARG  27   6.987  -3.899   9.744
  203    H    LYS  28           H        LYS  28   5.556  -4.855   2.323
  204    HA   LYS  28           HA       LYS  28   3.960  -7.200   1.841
  205    HB2  LYS  28           HB2      LYS  28   6.170  -8.372   2.465
  206    HB3  LYS  28           HB1      LYS  28   5.973  -7.722   0.877
  207    HG2  LYS  28           HG2      LYS  28   7.134  -5.602   2.149
  208    HG3  LYS  28           HG1      LYS  28   7.715  -6.911   3.170
  209    HD2  LYS  28           HD2      LYS  28   8.067  -6.808   0.172
  210    HD3  LYS  28           HD1      LYS  28   9.280  -6.271   1.328
  211    HE2  LYS  28           HE2      LYS  28   8.166  -9.073   1.201
  212    HE3  LYS  28           HE1      LYS  28   9.640  -8.562   0.386
  213    HZ1  LYS  28           HZ1      LYS  28   9.178  -8.628   3.340
  214    HZ2  LYS  28           HZ2      LYS  28  10.507  -7.927   2.621
  215    HZ3  LYS  28           HZ3      LYS  28  10.236  -9.571   2.449
  216    H    TYR  29           H        TYR  29   4.252  -9.043   3.201
  217    HA   TYR  29           HA       TYR  29   3.260  -8.298   5.822
  218    HB2  TYR  29           HB2      TYR  29   3.652 -10.914   4.432
  219    HB3  TYR  29           HB1      TYR  29   3.254 -10.852   6.135
  220    HD1  TYR  29           HD1      TYR  29   1.047  -9.930   6.826
  221    HD2  TYR  29           HD2      TYR  29   2.022 -10.528   2.736
  222    HE1  TYR  29           HE1      TYR  29  -1.323  -9.838   6.266
  223    HE2  TYR  29           HE2      TYR  29  -0.335 -10.434   2.151
  224    HH   TYR  29           HH       TYR  29  -2.468 -10.763   3.165
  225    H    TYR  30           H        TYR  30   5.865 -10.188   4.563
  226    HA   TYR  30           HA       TYR  30   7.417  -9.614   6.908
  227    HB2  TYR  30           HB2      TYR  30   7.213 -12.273   5.467
  228    HB3  TYR  30           HB1      TYR  30   8.382 -11.903   6.723
  229    HD1  TYR  30           HD1      TYR  30   7.530 -11.447   9.065
  230    HD2  TYR  30           HD2      TYR  30   5.021 -13.017   6.011
  231    HE1  TYR  30           HE1      TYR  30   5.952 -12.224  10.771
  232    HE2  TYR  30           HE2      TYR  30   3.431 -13.795   7.706
  233    HH   TYR  30           HH       TYR  30   3.471 -14.410  10.115
  Start of MODEL   10
    1    H1   CYS   1           HT1      CYS   1  -9.705  -5.804   0.158
    2    H2   CYS   1           HT2      CYS   1  -8.737  -7.001  -0.550
    3    H3   CYS   1           HT3      CYS   1  -9.379  -5.774  -1.512
    4    HA   CYS   1           HA       CYS   1  -8.067  -4.162  -0.371
    5    HB2  CYS   1           HB2      CYS   1  -6.208  -5.067   1.027
    6    HB3  CYS   1           HB1      CYS   1  -7.792  -5.116   1.772
    7    H    LYS   2           H        LYS   2  -5.950  -3.733  -1.034
    8    HA   LYS   2           HA       LYS   2  -5.366  -5.074  -3.514
    9    HB2  LYS   2           HB2      LYS   2  -3.846  -2.821  -2.175
   10    HB3  LYS   2           HB1      LYS   2  -3.691  -3.330  -3.850
   11    HG2  LYS   2           HG2      LYS   2  -6.138  -2.095  -2.582
   12    HG3  LYS   2           HG1      LYS   2  -4.983  -1.308  -3.661
   13    HD2  LYS   2           HD2      LYS   2  -5.661  -2.603  -5.508
   14    HD3  LYS   2           HD1      LYS   2  -6.538  -3.751  -4.496
   15    HE2  LYS   2           HE2      LYS   2  -8.065  -2.225  -5.712
   16    HE3  LYS   2           HE1      LYS   2  -8.201  -2.074  -3.970
   17    HZ1  LYS   2           HZ1      LYS   2  -6.658  -0.220  -5.708
   18    HZ2  LYS   2           HZ2      LYS   2  -6.942  -0.077  -4.030
   19    HZ3  LYS   2           HZ3      LYS   2  -8.223   0.033  -5.105
   20    HA   PRO   3           HA       PRO   3  -2.612  -7.992  -1.778
   21    HB2  PRO   3           HB2      PRO   3  -1.195  -8.611  -4.049
   22    HB3  PRO   3           HB1      PRO   3  -2.821  -9.218  -3.728
   23    HG2  PRO   3           HG2      PRO   3  -1.961  -6.915  -5.429
   24    HG3  PRO   3           HG1      PRO   3  -3.186  -8.152  -5.756
   25    HD2  PRO   3           HD2      PRO   3  -3.834  -5.685  -4.924
   26    HD3  PRO   3           HD1      PRO   3  -4.769  -7.115  -4.438
   27    HA   HYP   4           HA       HYP   4   1.123  -5.844  -0.681
   28    HB2  HYP   4           HB1      HYP   4   2.304  -7.407   0.522
   29    HB3  HYP   4           HB2      HYP   4   2.668  -8.336  -0.936
   30    HG   HYP   4           HG       HYP   4   1.177  -9.782   0.194
   31   HD22  HYP   4          HD11      HYP   4  -1.118  -9.079  -0.903
   32   HD23  HYP   4          HD12      HYP   4   0.249  -9.389  -1.995
   33    HD1  HYP   4           HD2      HYP   4  -0.287  -9.169   1.494
   34    H    GLY   5           H        GLY   5   2.398  -4.644  -1.904
   35    HA2  GLY   5           HA2      GLY   5   4.007  -4.263  -3.533
   36    HA3  GLY   5           HA1      GLY   5   3.543  -5.758  -4.317
   37    H    SER   6           H        SER   6   0.631  -4.667  -3.872
   38    HA   SER   6           HA       SER   6   0.378  -3.516  -6.448
   39    HB2  SER   6           HB2      SER   6  -1.512  -4.641  -5.798
   40    HB3  SER   6           HB1      SER   6  -1.581  -3.866  -4.174
   41    HG   SER   6           HG       SER   6  -2.405  -2.086  -5.229
   42    H    LYS   7           H        LYS   7  -0.814  -1.666  -6.602
   43    HA   LYS   7           HA       LYS   7   0.612   0.499  -5.197
   44    HB2  LYS   7           HB2      LYS   7  -0.204   2.101  -6.844
   45    HB3  LYS   7           HB1      LYS   7   0.563   0.762  -7.659
   46    HG2  LYS   7           HG2      LYS   7  -1.715  -0.159  -8.146
   47    HG3  LYS   7           HG1      LYS   7  -2.390   1.304  -7.423
   48    HD2  LYS   7           HD2      LYS   7  -0.524   1.241  -9.804
   49    HD3  LYS   7           HD1      LYS   7  -2.269   1.445  -9.894
   50    HE2  LYS   7           HE2      LYS   7  -0.370   3.327  -8.465
   51    HE3  LYS   7           HE1      LYS   7  -0.998   3.572 -10.084
   52    HZ1  LYS   7           HZ1      LYS   7  -3.204   3.760  -9.223
   53    HZ2  LYS   7           HZ2      LYS   7  -2.229   4.792  -8.330
   54    HZ3  LYS   7           HZ3      LYS   7  -2.733   3.349  -7.669
   55    H    CYS   8           H        CYS   8  -0.473   2.066  -4.003
   56    HA   CYS   8           HA       CYS   8  -3.239   1.275  -3.389
   57    HB2  CYS   8           HB2      CYS   8  -2.700   1.973  -1.030
   58    HB3  CYS   8           HB1      CYS   8  -2.110   0.420  -1.584
   59    H    SER   9           H        SER   9  -4.430   2.865  -2.109
   60    HA   SER   9           HA       SER   9  -4.122   5.398  -3.356
   61    HB2  SER   9           HB2      SER   9  -6.160   4.622  -1.376
   62    HB3  SER   9           HB1      SER   9  -6.247   5.652  -2.806
   63    HG   SER   9           HG       SER   9  -6.181   2.845  -2.704
   64    HA   HYP  10           HA       HYP  10  -1.640   6.839  -0.032
   65    HB2  HYP  10           HB1      HYP  10  -1.221   8.967  -0.711
   66    HB3  HYP  10           HB2      HYP  10  -2.861   9.493  -0.301
   67    HG   HYP  10           HG       HYP  10  -2.802   9.538  -2.742
   68   HD22  HYP  10          HD11      HYP  10  -4.090   7.347  -3.168
   69   HD23  HYP  10          HD12      HYP  10  -4.676   8.292  -1.768
   70    HD1  HYP  10           HD2      HYP  10  -2.138   6.978  -2.927
   71    H    SER  11           H        SER  11  -5.036   7.939   0.221
   72    HA   SER  11           HA       SER  11  -4.633   8.202   3.075
   73    HB2  SER  11           HB2      SER  11  -6.932   9.100   1.345
   74    HB3  SER  11           HB1      SER  11  -6.726   9.460   3.063
   75    HG   SER  11           HG       SER  11  -4.780  10.486   2.530
   76    H    MET  12           H        MET  12  -6.177   6.118   0.791
   77    HA   MET  12           HA       MET  12  -8.053   5.047   2.692
   78    HB2  MET  12           HB2      MET  12  -7.220   3.881   0.039
   79    HB3  MET  12           HB1      MET  12  -8.440   3.206   1.078
   80    HG2  MET  12           HG2      MET  12  -9.791   5.225   0.833
   81    HG3  MET  12           HG1      MET  12  -8.571   5.899  -0.244
   82    HE1  MET  12           HE1      MET  12 -11.315   3.138   0.253
   83    HE2  MET  12           HE2      MET  12  -9.883   2.135  -0.007
   84    HE3  MET  12          3HE       MET  12 -11.156   2.184  -1.220
   85    H    ARG  13           H        ARG  13  -4.949   4.187   1.609
   86    HA   ARG  13           HA       ARG  13  -3.427   2.557   2.190
   87    HB2  ARG  13           HB2      ARG  13  -3.558   3.828   4.250
   88    HB3  ARG  13           HB1      ARG  13  -5.003   2.964   4.720
   89    HG2  ARG  13           HG2      ARG  13  -3.653   0.964   5.149
   90    HG3  ARG  13           HG1      ARG  13  -2.217   1.789   4.527
   91    HD2  ARG  13           HD2      ARG  13  -2.305   1.770   7.005
   92    HD3  ARG  13           HD1      ARG  13  -2.283   3.390   6.320
   93    HE   ARG  13           HE       ARG  13  -4.738   2.065   7.235
   94   HH11  ARG  13          HH11      ARG  13  -2.605   4.944   7.176
   95   HH12  ARG  13          HH12      ARG  13  -3.694   5.942   7.988
   96   HH21  ARG  13          HH21      ARG  13  -6.257   3.521   8.356
   97   HH22  ARG  13          HH22      ARG  13  -5.818   5.134   8.659
   98    H    ASP  14           H        ASP  14  -5.480   1.705   0.726
   99    HA   ASP  14           HA       ASP  14  -7.170  -0.308   1.780
  100    HB2  ASP  14           HB2      ASP  14  -7.929  -0.461  -0.570
  101    HB3  ASP  14           HB1      ASP  14  -8.026   1.152   0.128
  102    H    CYS  15           H        CYS  15  -4.423  -1.009   1.948
  103    HA   CYS  15           HA       CYS  15  -4.153  -3.232   0.041
  104    HB2  CYS  15           HB2      CYS  15  -2.151  -2.299   2.090
  105    HB3  CYS  15           HB1      CYS  15  -1.917  -3.491   0.843
  106    H    CYS  16           H        CYS  16  -3.589  -5.318   0.839
  107    HA   CYS  16           HA       CYS  16  -5.163  -6.174   3.005
  108    HB2  CYS  16           HB2      CYS  16  -2.930  -7.549   1.547
  109    HB3  CYS  16           HB1      CYS  16  -4.059  -8.337   2.639
  110    H    THR  17           H        THR  17  -1.796  -5.287   2.762
  111    HA   THR  17           HA       THR  17  -1.346  -5.974   5.558
  112    HB   THR  17           HB       THR  17   0.991  -5.091   4.975
  113    HG1  THR  17           HG1      THR  17   1.359  -5.139   2.626
  114   HG21  THR  17          HG21      THR  17  -0.058  -7.434   3.370
  115   HG22  THR  17          HG22      THR  17   0.487  -7.510   5.048
  116   HG23  THR  17          HG23      THR  17   1.633  -7.135   3.763
  117    H    THR  18           H        THR  18  -0.159  -3.283   3.713
  118    HA   THR  18           HA       THR  18  -1.844  -1.305   4.717
  119    HB   THR  18           HB       THR  18  -0.452  -1.722   6.770
  120    HG1  THR  18           HG1      THR  18  -0.286   0.389   7.188
  121   HG21  THR  18          HG21      THR  18   1.819  -0.748   5.032
  122   HG22  THR  18          HG22      THR  18   1.648  -2.366   5.709
  123   HG23  THR  18          HG23      THR  18   1.911  -0.985   6.774
  124    H    CYS  19           H        CYS  19  -0.708   0.850   4.087
  125    HA   CYS  19           HA       CYS  19   0.404   0.446   1.379
  126    HB2  CYS  19           HB2      CYS  19  -1.789   1.390   1.317
  127    HB3  CYS  19           HB1      CYS  19  -1.381   2.593   2.544
  128    H    ILE  20           H        ILE  20   2.437   1.048   1.249
  129    HA   ILE  20           HA       ILE  20   3.644   2.702   3.286
  130    HB   ILE  20           HB       ILE  20   4.921   1.775   0.694
  131   HG12  ILE  20          HG12      ILE  20   4.681   0.245   3.301
  132   HG13  ILE  20          HG11      ILE  20   3.975  -0.184   1.766
  133   HG21  ILE  20          HG21      ILE  20   6.080   2.425   3.413
  134   HG22  ILE  20          HG22      ILE  20   6.123   3.471   2.000
  135   HG23  ILE  20          HG23      ILE  20   7.006   1.942   1.989
  136   HD11  ILE  20          HD11      ILE  20   6.939  -0.053   2.263
  137   HD12  ILE  20          HD12      ILE  20   6.147  -0.583   0.780
  138   HD13  ILE  20          HD13      ILE  20   5.976  -1.526   2.260
  139    H    SER  21           H        SER  21   2.924   4.771   3.073
  140    HA   SER  21           HA       SER  21   2.029   6.002   0.756
  141    HB2  SER  21           HB2      SER  21   3.168   7.338   3.207
  142    HB3  SER  21           HB1      SER  21   2.027   8.038   2.056
  143    HG   SER  21           HG       SER  21   0.796   5.968   2.678
  144    H    TYR  22           H        TYR  22   5.223   5.656   1.978
  145    HA   TYR  22           HA       TYR  22   6.736   7.611   0.754
  146    HB2  TYR  22           HB2      TYR  22   7.483   5.775   2.305
  147    HB3  TYR  22           HB1      TYR  22   7.428   4.700   0.939
  148    HD1  TYR  22           HD1      TYR  22   9.292   4.352  -0.389
  149    HD2  TYR  22           HD2      TYR  22   9.079   7.861   2.003
  150    HE1  TYR  22           HE1      TYR  22  11.589   4.901  -1.008
  151    HE2  TYR  22           HE2      TYR  22  11.382   8.427   1.385
  152    HH   TYR  22           HH       TYR  22  13.038   6.882  -1.136
  153    H    THR  23           H        THR  23   5.894   4.473  -0.542
  154    HA   THR  23           HA       THR  23   6.623   5.430  -3.241
  155    HB   THR  23           HB       THR  23   8.085   3.638  -2.445
  156    HG1  THR  23           HG1      THR  23   7.769   3.600  -4.618
  157   HG21  THR  23          HG21      THR  23   6.597   2.503  -0.909
  158   HG22  THR  23          HG22      THR  23   7.220   1.344  -2.087
  159   HG23  THR  23          HG23      THR  23   5.577   1.971  -2.243
  160    H    LYS  24           H        LYS  24   3.960   4.748  -1.420
  161    HA   LYS  24           HA       LYS  24   1.789   4.345  -1.723
  162    HB2  LYS  24           HB2      LYS  24   2.130   4.865  -4.667
  163    HB3  LYS  24           HB1      LYS  24   0.698   4.971  -3.707
  164    HG2  LYS  24           HG2      LYS  24   3.019   6.857  -3.388
  165    HG3  LYS  24           HG1      LYS  24   1.532   7.221  -4.263
  166    HD2  LYS  24           HD2      LYS  24   0.285   6.799  -2.129
  167    HD3  LYS  24           HD1      LYS  24   1.843   6.631  -1.322
  168    HE2  LYS  24           HE2      LYS  24   0.825   9.092  -2.750
  169    HE3  LYS  24           HE1      LYS  24   0.935   8.876  -1.009
  170    HZ1  LYS  24           HZ1      LYS  24   2.787  10.162  -1.772
  171    HZ2  LYS  24           HZ2      LYS  24   3.197   9.023  -2.922
  172    HZ3  LYS  24           HZ3      LYS  24   3.370   8.660  -1.274
  173    H    ARG  25           H        ARG  25   3.357   2.133  -1.658
  174    HA   ARG  25           HA       ARG  25   1.854   0.331  -3.406
  175    HB2  ARG  25           HB2      ARG  25   4.733  -0.137  -2.589
  176    HB3  ARG  25           HB1      ARG  25   3.749  -1.193  -3.577
  177    HG2  ARG  25           HG2      ARG  25   4.813   1.527  -4.332
  178    HG3  ARG  25           HG1      ARG  25   5.272  -0.032  -5.011
  179    HD2  ARG  25           HD2      ARG  25   2.946  -0.281  -5.875
  180    HD3  ARG  25           HD1      ARG  25   2.591   1.295  -5.201
  181    HE   ARG  25           HE       ARG  25   4.591   0.878  -7.295
  182   HH11  ARG  25          HH11      ARG  25   2.047   2.870  -5.813
  183   HH12  ARG  25          HH12      ARG  25   2.022   4.000  -7.102
  184   HH21  ARG  25          HH21      ARG  25   4.542   2.486  -9.016
  185   HH22  ARG  25          HH22      ARG  25   3.428   3.775  -8.921
  186    H    CYS  26           H        CYS  26   1.731  -1.887  -2.483
  187    HA   CYS  26           HA       CYS  26   0.974  -1.573   0.261
  188    HB2  CYS  26           HB2      CYS  26   0.694  -3.891  -1.647
  189    HB3  CYS  26           HB1      CYS  26  -0.037  -3.795  -0.047
  190    H    ARG  27           H        ARG  27   1.920  -2.472   1.902
  191    HA   ARG  27           HA       ARG  27   4.683  -3.063   1.840
  192    HB2  ARG  27           HB2      ARG  27   3.258  -2.139   3.761
  193    HB3  ARG  27           HB1      ARG  27   2.718  -3.767   3.983
  194    HG2  ARG  27           HG2      ARG  27   5.016  -4.545   4.317
  195    HG3  ARG  27           HG1      ARG  27   5.571  -2.874   4.255
  196    HD2  ARG  27           HD2      ARG  27   4.375  -2.337   6.240
  197    HD3  ARG  27           HD1      ARG  27   3.512  -3.876   6.214
  198    HE   ARG  27           HE       ARG  27   6.179  -4.483   6.257
  199   HH11  ARG  27          HH11      ARG  27   3.949  -2.773   8.429
  200   HH12  ARG  27          HH12      ARG  27   4.753  -3.257   9.847
  201   HH21  ARG  27          HH21      ARG  27   7.235  -5.172   8.219
  202   HH22  ARG  27          HH22      ARG  27   6.659  -4.646   9.718
  203    H    LYS  28           H        LYS  28   5.726  -5.058   2.431
  204    HA   LYS  28           HA       LYS  28   4.433  -7.526   1.607
  205    HB2  LYS  28           HB2      LYS  28   7.072  -7.154   3.031
  206    HB3  LYS  28           HB1      LYS  28   6.533  -8.525   2.099
  207    HG2  LYS  28           HG2      LYS  28   6.652  -7.267   0.028
  208    HG3  LYS  28           HG1      LYS  28   7.110  -5.816   0.910
  209    HD2  LYS  28           HD2      LYS  28   9.068  -6.855  -0.114
  210    HD3  LYS  28           HD1      LYS  28   9.185  -6.918   1.644
  211    HE2  LYS  28           HE2      LYS  28   8.454  -9.250   1.610
  212    HE3  LYS  28           HE1      LYS  28   8.288  -9.191  -0.140
  213    HZ1  LYS  28           HZ1      LYS  28  10.340 -10.232   0.547
  214    HZ2  LYS  28           HZ2      LYS  28  10.814  -8.848   1.376
  215    HZ3  LYS  28           HZ3      LYS  28  10.700  -8.807  -0.296
  216    H    TYR  29           H        TYR  29   4.872  -9.295   3.278
  217    HA   TYR  29           HA       TYR  29   3.335  -8.548   5.570
  218    HB2  TYR  29           HB2      TYR  29   4.593 -11.146   4.742
  219    HB3  TYR  29           HB1      TYR  29   3.652 -10.964   6.219
  220    HD1  TYR  29           HD1      TYR  29   1.241 -10.230   6.012
  221    HD2  TYR  29           HD2      TYR  29   3.525 -11.426   2.644
  222    HE1  TYR  29           HE1      TYR  29  -0.818 -10.518   4.740
  223    HE2  TYR  29           HE2      TYR  29   1.476 -11.729   1.354
  224    HH   TYR  29           HH       TYR  29  -0.963 -12.115   1.739
  225    H    TYR  30           H        TYR  30   6.502 -10.086   5.313
  226    HA   TYR  30           HA       TYR  30   7.279  -8.515   7.605
  227    HB2  TYR  30           HB2      TYR  30   8.216 -11.272   6.781
  228    HB3  TYR  30           HB1      TYR  30   9.027 -10.308   8.004
  229    HD1  TYR  30           HD1      TYR  30   5.912 -12.100   7.181
  230    HD2  TYR  30           HD2      TYR  30   8.187 -10.193  10.216
  231    HE1  TYR  30           HE1      TYR  30   4.431 -13.047   8.863
  232    HE2  TYR  30           HE2      TYR  30   6.715 -11.130  11.926
  233    HH   TYR  30           HH       TYR  30   4.448 -12.002  12.111
  Start of MODEL   11
    1    H1   CYS   1           HT1      CYS   1  -8.506  -7.378  -0.374
    2    H2   CYS   1           HT2      CYS   1  -9.335  -6.189  -1.236
    3    H3   CYS   1           HT3      CYS   1  -9.530  -6.305   0.441
    4    HA   CYS   1           HA       CYS   1  -8.118  -4.476  -0.101
    5    HB2  CYS   1           HB2      CYS   1  -6.128  -5.243   1.223
    6    HB3  CYS   1           HB1      CYS   1  -7.687  -5.467   1.993
    7    H    LYS   2           H        LYS   2  -5.945  -3.852  -0.712
    8    HA   LYS   2           HA       LYS   2  -5.225  -5.034  -3.232
    9    HB2  LYS   2           HB2      LYS   2  -3.990  -2.701  -1.737
   10    HB3  LYS   2           HB1      LYS   2  -3.440  -3.286  -3.284
   11    HG2  LYS   2           HG2      LYS   2  -5.508  -2.742  -4.341
   12    HG3  LYS   2           HG1      LYS   2  -6.229  -2.300  -2.792
   13    HD2  LYS   2           HD2      LYS   2  -4.743  -0.436  -2.565
   14    HD3  LYS   2           HD1      LYS   2  -3.822  -0.942  -3.982
   15    HE2  LYS   2           HE2      LYS   2  -5.366   0.948  -4.438
   16    HE3  LYS   2           HE1      LYS   2  -5.693  -0.471  -5.427
   17    HZ1  LYS   2           HZ1      LYS   2  -7.689   0.654  -4.438
   18    HZ2  LYS   2           HZ2      LYS   2  -7.207   0.061  -2.919
   19    HZ3  LYS   2           HZ3      LYS   2  -7.568  -0.984  -4.160
   20    HA   PRO   3           HA       PRO   3  -2.373  -7.927  -1.578
   21    HB2  PRO   3           HB2      PRO   3  -1.088  -8.543  -3.905
   22    HB3  PRO   3           HB1      PRO   3  -2.720  -9.100  -3.541
   23    HG2  PRO   3           HG2      PRO   3  -1.850  -6.761  -5.195
   24    HG3  PRO   3           HG1      PRO   3  -3.081  -7.985  -5.559
   25    HD2  PRO   3           HD2      PRO   3  -3.716  -5.554  -4.633
   26    HD3  PRO   3           HD1      PRO   3  -4.639  -7.003  -4.173
   27    HA   HYP   4           HA       HYP   4   1.403  -5.826  -0.624
   28    HB2  HYP   4           HB1      HYP   4   2.490  -7.436   0.528
   29    HB3  HYP   4           HB2      HYP   4   3.125  -8.106  -0.976
   30    HG   HYP   4           HG       HYP   4   1.787  -9.896  -0.376
   31   HD22  HYP   4          HD11      HYP   4  -0.693  -9.185  -1.125
   32   HD23  HYP   4          HD12      HYP   4   0.609  -9.209  -2.338
   33    HD1  HYP   4           HD2      HYP   4   0.100  -9.757   0.909
   34    H    GLY   5           H        GLY   5   2.531  -4.510  -1.825
   35    HA2  GLY   5           HA2      GLY   5   4.161  -3.987  -3.429
   36    HA3  GLY   5           HA1      GLY   5   3.800  -5.503  -4.240
   37    H    SER   6           H        SER   6   0.823  -4.564  -3.807
   38    HA   SER   6           HA       SER   6   0.517  -3.484  -6.387
   39    HB2  SER   6           HB2      SER   6  -1.339  -4.578  -5.566
   40    HB3  SER   6           HB1      SER   6  -1.428  -3.598  -4.058
   41    HG   SER   6           HG       SER   6  -2.179  -1.908  -5.436
   42    H    LYS   7           H        LYS   7  -0.604  -1.649  -6.623
   43    HA   LYS   7           HA       LYS   7   0.810   0.550  -5.273
   44    HB2  LYS   7           HB2      LYS   7   0.325   2.018  -7.129
   45    HB3  LYS   7           HB1      LYS   7   0.998   0.534  -7.752
   46    HG2  LYS   7           HG2      LYS   7  -1.424  -0.157  -8.203
   47    HG3  LYS   7           HG1      LYS   7  -1.812   1.541  -7.932
   48    HD2  LYS   7           HD2      LYS   7   0.092   2.031  -9.604
   49    HD3  LYS   7           HD1      LYS   7  -0.054   0.341 -10.041
   50    HE2  LYS   7           HE2      LYS   7  -1.370   1.681 -11.555
   51    HE3  LYS   7           HE1      LYS   7  -2.432   0.678 -10.569
   52    HZ1  LYS   7           HZ1      LYS   7  -3.183   3.017 -10.795
   53    HZ2  LYS   7           HZ2      LYS   7  -1.811   3.517  -9.965
   54    HZ3  LYS   7           HZ3      LYS   7  -2.950   2.555  -9.198
   55    H    CYS   8           H        CYS   8  -0.252   2.122  -4.238
   56    HA   CYS   8           HA       CYS   8  -3.130   1.697  -4.011
   57    HB2  CYS   8           HB2      CYS   8  -2.798   2.058  -1.518
   58    HB3  CYS   8           HB1      CYS   8  -2.485   0.479  -2.216
   59    H    SER   9           H        SER   9  -4.280   3.304  -2.984
   60    HA   SER   9           HA       SER   9  -3.355   5.901  -3.574
   61    HB2  SER   9           HB2      SER   9  -5.839   4.985  -2.234
   62    HB3  SER   9           HB1      SER   9  -5.540   6.429  -3.208
   63    HG   SER   9           HG       SER   9  -5.110   4.985  -4.997
   64    HA   HYP  10           HA       HYP  10  -1.576   6.222   0.418
   65    HB2  HYP  10           HB1      HYP  10  -0.539   8.226   0.199
   66    HB3  HYP  10           HB2      HYP  10  -2.068   9.086   0.449
   67    HG   HYP  10           HG       HYP  10  -1.563   9.521  -1.890
   68   HD22  HYP  10          HD11      HYP  10  -3.122   7.756  -2.965
   69   HD23  HYP  10          HD12      HYP  10  -3.796   8.572  -1.529
   70    HD1  HYP  10           HD2      HYP  10  -1.352   7.009  -2.624
   71    H    SER  11           H        SER  11  -4.558   8.297   0.265
   72    HA   SER  11           HA       SER  11  -4.725   8.108   3.098
   73    HB2  SER  11           HB2      SER  11  -6.839   9.527   2.677
   74    HB3  SER  11           HB1      SER  11  -5.263  10.240   2.350
   75    HG   SER  11           HG       SER  11  -5.856  10.489   0.408
   76    H    MET  12           H        MET  12  -5.956   6.285   0.527
   77    HA   MET  12           HA       MET  12  -8.094   5.249   2.177
   78    HB2  MET  12           HB2      MET  12  -7.183   4.372  -0.560
   79    HB3  MET  12           HB1      MET  12  -8.400   3.495   0.354
   80    HG2  MET  12           HG2      MET  12  -9.760   5.560   0.432
   81    HG3  MET  12           HG1      MET  12  -8.573   6.335  -0.616
   82    HE1  MET  12           HE1      MET  12 -10.511   6.963  -2.310
   83    HE2  MET  12           HE2      MET  12 -11.695   6.177  -1.265
   84    HE3  MET  12          3HE       MET  12 -11.641   5.791  -2.985
   85    H    ARG  13           H        ARG  13  -5.095   4.148   1.006
   86    HA   ARG  13           HA       ARG  13  -3.596   2.571   1.758
   87    HB2  ARG  13           HB2      ARG  13  -3.579   4.280   3.449
   88    HB3  ARG  13           HB1      ARG  13  -4.931   3.538   4.266
   89    HG2  ARG  13           HG2      ARG  13  -3.515   1.768   5.073
   90    HG3  ARG  13           HG1      ARG  13  -2.192   2.270   4.018
   91    HD2  ARG  13           HD2      ARG  13  -3.356   3.921   6.259
   92    HD3  ARG  13           HD1      ARG  13  -1.843   3.008   6.336
   93    HE   ARG  13           HE       ARG  13  -1.274   4.493   4.289
   94   HH11  ARG  13          HH11      ARG  13  -3.029   5.626   7.171
   95   HH12  ARG  13          HH12      ARG  13  -2.443   7.220   7.027
   96   HH21  ARG  13          HH21      ARG  13  -0.529   6.689   4.106
   97   HH22  ARG  13          HH22      ARG  13  -0.991   7.840   5.253
   98    H    ASP  14           H        ASP  14  -5.990   1.452   0.803
   99    HA   ASP  14           HA       ASP  14  -7.081  -0.496   2.626
  100    HB2  ASP  14           HB2      ASP  14  -8.571  -1.053   0.821
  101    HB3  ASP  14           HB1      ASP  14  -8.533   0.691   1.063
  102    H    CYS  15           H        CYS  15  -4.407  -0.932   2.133
  103    HA   CYS  15           HA       CYS  15  -4.198  -3.221   0.341
  104    HB2  CYS  15           HB2      CYS  15  -2.158  -2.165   2.298
  105    HB3  CYS  15           HB1      CYS  15  -1.882  -3.374   1.077
  106    H    CYS  16           H        CYS  16  -3.481  -5.296   1.127
  107    HA   CYS  16           HA       CYS  16  -5.046  -6.270   3.223
  108    HB2  CYS  16           HB2      CYS  16  -2.652  -7.453   1.850
  109    HB3  CYS  16           HB1      CYS  16  -3.758  -8.347   2.883
  110    H    THR  17           H        THR  17  -1.790  -5.102   3.137
  111    HA   THR  17           HA       THR  17  -1.467  -5.663   5.981
  112    HB   THR  17           HB       THR  17   0.880  -4.742   5.486
  113    HG1  THR  17           HG1      THR  17   1.238  -5.131   3.046
  114   HG21  THR  17          HG21      THR  17  -0.012  -7.225   3.995
  115   HG22  THR  17          HG22      THR  17   0.447  -7.164   5.697
  116   HG23  THR  17          HG23      THR  17   1.650  -6.846   4.447
  117    H    THR  18           H        THR  18  -0.237  -3.086   4.020
  118    HA   THR  18           HA       THR  18  -1.993  -1.054   4.792
  119    HB   THR  18           HB       THR  18  -0.698  -1.263   6.917
  120    HG1  THR  18           HG1      THR  18  -0.395   0.915   7.115
  121   HG21  THR  18          HG21      THR  18   1.453  -2.038   6.014
  122   HG22  THR  18          HG22      THR  18   1.688  -0.575   6.970
  123   HG23  THR  18          HG23      THR  18   1.682  -0.488   5.208
  124    H    CYS  19           H        CYS  19  -0.889   1.051   4.026
  125    HA   CYS  19           HA       CYS  19   0.400   0.421   1.450
  126    HB2  CYS  19           HB2      CYS  19  -1.819   1.285   1.141
  127    HB3  CYS  19           HB1      CYS  19  -1.487   2.667   2.190
  128    H    ILE  20           H        ILE  20   2.404   1.014   1.395
  129    HA   ILE  20           HA       ILE  20   3.546   2.858   3.290
  130    HB   ILE  20           HB       ILE  20   4.865   1.847   0.749
  131   HG12  ILE  20          HG12      ILE  20   4.682   0.249   3.380
  132   HG13  ILE  20          HG11      ILE  20   3.962  -0.149   1.846
  133   HG21  ILE  20          HG21      ILE  20   6.934   2.044   2.056
  134   HG22  ILE  20          HG22      ILE  20   5.997   2.603   3.441
  135   HG23  ILE  20          HG23      ILE  20   6.054   3.570   1.965
  136   HD11  ILE  20          HD11      ILE  20   5.960  -1.457   2.289
  137   HD12  ILE  20          HD12      ILE  20   6.914   0.028   2.338
  138   HD13  ILE  20          HD13      ILE  20   6.127  -0.461   0.841
  139    H    SER  21           H        SER  21   2.509   4.807   2.856
  140    HA   SER  21           HA       SER  21   1.609   5.668   0.365
  141    HB2  SER  21           HB2      SER  21   2.112   7.290   2.854
  142    HB3  SER  21           HB1      SER  21   1.032   7.728   1.525
  143    HG   SER  21           HG       SER  21   0.445   5.272   2.243
  144    H    TYR  22           H        TYR  22   4.732   5.921   1.668
  145    HA   TYR  22           HA       TYR  22   5.718   8.172   0.270
  146    HB2  TYR  22           HB2      TYR  22   6.815   6.950   2.177
  147    HB3  TYR  22           HB1      TYR  22   7.219   5.688   1.046
  148    HD1  TYR  22           HD1      TYR  22   7.548   9.390   1.235
  149    HD2  TYR  22           HD2      TYR  22   9.351   5.707   0.124
  150    HE1  TYR  22           HE1      TYR  22   9.561  10.588   0.564
  151    HE2  TYR  22           HE2      TYR  22  11.369   6.896  -0.561
  152    HH   TYR  22           HH       TYR  22  12.003   9.151  -1.284
  153    H    THR  23           H        THR  23   5.830   4.757  -0.381
  154    HA   THR  23           HA       THR  23   6.768   5.146  -3.141
  155    HB   THR  23           HB       THR  23   6.213   2.514  -1.752
  156    HG1  THR  23           HG1      THR  23   8.437   4.257  -1.592
  157   HG21  THR  23          HG21      THR  23   8.019   1.704  -3.219
  158   HG22  THR  23          HG22      THR  23   8.221   3.327  -3.880
  159   HG23  THR  23          HG23      THR  23   6.730   2.437  -4.171
  160    H    LYS  24           H        LYS  24   3.904   4.880  -1.480
  161    HA   LYS  24           HA       LYS  24   1.769   4.305  -1.803
  162    HB2  LYS  24           HB2      LYS  24   2.423   4.915  -4.658
  163    HB3  LYS  24           HB1      LYS  24   0.836   4.870  -3.939
  164    HG2  LYS  24           HG2      LYS  24   1.119   6.728  -2.634
  165    HG3  LYS  24           HG1      LYS  24   2.875   6.637  -2.710
  166    HD2  LYS  24           HD2      LYS  24   2.889   7.305  -4.918
  167    HD3  LYS  24           HD1      LYS  24   1.112   7.294  -5.043
  168    HE2  LYS  24           HE2      LYS  24   1.984   9.593  -4.718
  169    HE3  LYS  24           HE1      LYS  24   0.995   9.070  -3.357
  170    HZ1  LYS  24           HZ1      LYS  24   3.960   9.041  -3.440
  171    HZ2  LYS  24           HZ2      LYS  24   3.024   8.583  -2.107
  172    HZ3  LYS  24           HZ3      LYS  24   3.024  10.181  -2.645
  173    H    ARG  25           H        ARG  25   3.399   2.167  -1.637
  174    HA   ARG  25           HA       ARG  25   1.975   0.282  -3.352
  175    HB2  ARG  25           HB2      ARG  25   4.824  -0.053  -2.433
  176    HB3  ARG  25           HB1      ARG  25   3.910  -1.204  -3.375
  177    HG2  ARG  25           HG2      ARG  25   4.798   1.524  -4.303
  178    HG3  ARG  25           HG1      ARG  25   5.448  -0.028  -4.834
  179    HD2  ARG  25           HD2      ARG  25   3.124  -0.583  -5.692
  180    HD3  ARG  25           HD1      ARG  25   2.690   1.037  -5.211
  181    HE   ARG  25           HE       ARG  25   4.526   1.774  -6.771
  182   HH11  ARG  25          HH11      ARG  25   2.599  -1.138  -7.377
  183   HH12  ARG  25          HH12      ARG  25   2.506  -0.913  -9.048
  184   HH21  ARG  25          HH21      ARG  25   4.361   2.115  -9.091
  185   HH22  ARG  25          HH22      ARG  25   3.501   1.012 -10.050
  186    H    CYS  26           H        CYS  26   1.793  -1.823  -2.364
  187    HA   CYS  26           HA       CYS  26   1.028  -1.413   0.391
  188    HB2  CYS  26           HB2      CYS  26   0.629  -3.787  -1.429
  189    HB3  CYS  26           HB1      CYS  26  -0.070  -3.607   0.178
  190    H    ARG  27           H        ARG  27   1.842  -2.468   2.084
  191    HA   ARG  27           HA       ARG  27   4.600  -3.203   1.977
  192    HB2  ARG  27           HB2      ARG  27   3.221  -2.131   3.908
  193    HB3  ARG  27           HB1      ARG  27   2.734  -3.765   4.248
  194    HG2  ARG  27           HG2      ARG  27   5.135  -4.421   4.438
  195    HG3  ARG  27           HG1      ARG  27   5.548  -2.710   4.335
  196    HD2  ARG  27           HD2      ARG  27   4.132  -2.299   6.309
  197    HD3  ARG  27           HD1      ARG  27   3.828  -4.031   6.420
  198    HE   ARG  27           HE       ARG  27   6.307  -2.625   6.978
  199   HH11  ARG  27          HH11      ARG  27   4.713  -5.802   6.696
  200   HH12  ARG  27          HH12      ARG  27   5.744  -6.567   7.798
  201   HH21  ARG  27          HH21      ARG  27   7.722  -3.716   8.507
  202   HH22  ARG  27          HH22      ARG  27   7.491  -5.366   8.852
  203    H    LYS  28           H        LYS  28   5.408  -5.251   2.731
  204    HA   LYS  28           HA       LYS  28   3.762  -7.585   1.984
  205    HB2  LYS  28           HB2      LYS  28   6.663  -7.543   2.768
  206    HB3  LYS  28           HB1      LYS  28   5.778  -8.789   1.936
  207    HG2  LYS  28           HG2      LYS  28   5.607  -7.457  -0.069
  208    HG3  LYS  28           HG1      LYS  28   6.398  -6.098   0.731
  209    HD2  LYS  28           HD2      LYS  28   8.410  -7.511   1.053
  210    HD3  LYS  28           HD1      LYS  28   7.616  -8.802   0.156
  211    HE2  LYS  28           HE2      LYS  28   9.125  -7.607  -1.306
  212    HE3  LYS  28           HE1      LYS  28   7.456  -7.314  -1.789
  213    HZ1  LYS  28           HZ1      LYS  28   8.785  -5.302  -1.828
  214    HZ2  LYS  28           HZ2      LYS  28   9.105  -5.431  -0.178
  215    HZ3  LYS  28           HZ3      LYS  28   7.534  -5.171  -0.719
  216    H    TYR  29           H        TYR  29   4.360  -9.470   3.419
  217    HA   TYR  29           HA       TYR  29   3.814  -8.697   6.170
  218    HB2  TYR  29           HB2      TYR  29   3.751 -11.322   4.701
  219    HB3  TYR  29           HB1      TYR  29   3.678 -11.251   6.447
  220    HD1  TYR  29           HD1      TYR  29   1.869 -10.662   3.310
  221    HD2  TYR  29           HD2      TYR  29   1.698 -10.297   7.545
  222    HE1  TYR  29           HE1      TYR  29  -0.552 -10.326   3.180
  223    HE2  TYR  29           HE2      TYR  29  -0.712  -9.960   7.435
  224    HH   TYR  29           HH       TYR  29  -2.514 -10.577   4.629
  225    H    TYR  30           H        TYR  30   5.984 -10.764   4.384
  226    HA   TYR  30           HA       TYR  30   7.827 -10.739   6.564
  227    HB2  TYR  30           HB2      TYR  30   7.988 -12.125   3.880
  228    HB3  TYR  30           HB1      TYR  30   9.174 -12.293   5.168
  229    HD1  TYR  30           HD1      TYR  30   6.099 -13.514   3.825
  230    HD2  TYR  30           HD2      TYR  30   8.352 -13.192   7.416
  231    HE1  TYR  30           HE1      TYR  30   4.762 -15.308   4.818
  232    HE2  TYR  30           HE2      TYR  30   7.035 -14.993   8.415
  233    HH   TYR  30           HH       TYR  30   5.025 -17.003   6.632
  Start of MODEL   12
    1    H1   CYS   1           HT1      CYS   1  -9.246  -5.918  -1.802
    2    H2   CYS   1           HT2      CYS   1  -9.653  -6.046  -0.165
    3    H3   CYS   1           HT3      CYS   1  -8.641  -7.206  -0.903
    4    HA   CYS   1           HA       CYS   1  -8.023  -4.351  -0.559
    5    HB2  CYS   1           HB2      CYS   1  -6.244  -5.234   0.950
    6    HB3  CYS   1           HB1      CYS   1  -7.865  -5.354   1.592
    7    H    LYS   2           H        LYS   2  -5.862  -3.858  -1.043
    8    HA   LYS   2           HA       LYS   2  -5.059  -5.103  -3.521
    9    HB2  LYS   2           HB2      LYS   2  -3.614  -2.942  -1.970
   10    HB3  LYS   2           HB1      LYS   2  -3.368  -3.390  -3.641
   11    HG2  LYS   2           HG2      LYS   2  -5.879  -2.166  -2.536
   12    HG3  LYS   2           HG1      LYS   2  -4.583  -1.328  -3.403
   13    HD2  LYS   2           HD2      LYS   2  -5.006  -2.617  -5.382
   14    HD3  LYS   2           HD1      LYS   2  -6.226  -3.578  -4.541
   15    HE2  LYS   2           HE2      LYS   2  -7.203  -1.813  -5.954
   16    HE3  LYS   2           HE1      LYS   2  -7.616  -1.638  -4.250
   17    HZ1  LYS   2           HZ1      LYS   2  -7.005   0.427  -5.369
   18    HZ2  LYS   2           HZ2      LYS   2  -5.415  -0.125  -5.565
   19    HZ3  LYS   2           HZ3      LYS   2  -6.080   0.110  -4.014
   20    HA   PRO   3           HA       PRO   3  -2.201  -7.906  -1.542
   21    HB2  PRO   3           HB2      PRO   3  -0.970  -8.805  -3.793
   22    HB3  PRO   3           HB1      PRO   3  -2.599  -9.318  -3.336
   23    HG2  PRO   3           HG2      PRO   3  -1.753  -7.229  -5.304
   24    HG3  PRO   3           HG1      PRO   3  -3.015  -8.466  -5.462
   25    HD2  PRO   3           HD2      PRO   3  -3.557  -5.891  -4.841
   26    HD3  PRO   3           HD1      PRO   3  -4.534  -7.248  -4.237
   27    HA   HYP   4           HA       HYP   4   1.579  -5.661  -0.907
   28    HB2  HYP   4           HB1      HYP   4   3.061  -7.086   0.107
   29    HB3  HYP   4           HB2      HYP   4   3.064  -8.209  -1.261
   30    HG   HYP   4           HG       HYP   4   1.787  -9.338   0.423
   31   HD22  HYP   4          HD11      HYP   4  -0.639  -8.713  -0.483
   32   HD23  HYP   4          HD12      HYP   4   0.546  -9.340  -1.655
   33    HD1  HYP   4           HD2      HYP   4   1.511  -7.056   1.421
   34    H    GLY   5           H        GLY   5   2.461  -4.394  -2.331
   35    HA2  GLY   5           HA2      GLY   5   4.147  -4.065  -3.988
   36    HA3  GLY   5           HA1      GLY   5   3.636  -5.571  -4.732
   37    H    SER   6           H        SER   6   0.779  -4.619  -4.196
   38    HA   SER   6           HA       SER   6   0.402  -3.315  -6.700
   39    HB2  SER   6           HB2      SER   6  -1.422  -4.579  -6.082
   40    HB3  SER   6           HB1      SER   6  -1.540  -3.868  -4.431
   41    HG   SER   6           HG       SER   6  -2.429  -2.060  -5.470
   42    H    LYS   7           H        LYS   7  -0.880  -1.503  -6.686
   43    HA   LYS   7           HA       LYS   7   0.571   0.618  -5.232
   44    HB2  LYS   7           HB2      LYS   7  -0.475   2.293  -6.658
   45    HB3  LYS   7           HB1      LYS   7   0.233   1.042  -7.662
   46    HG2  LYS   7           HG2      LYS   7  -1.924   0.084  -8.088
   47    HG3  LYS   7           HG1      LYS   7  -2.685   1.174  -6.935
   48    HD2  LYS   7           HD2      LYS   7  -1.279   2.043  -9.460
   49    HD3  LYS   7           HD1      LYS   7  -3.024   1.856  -9.302
   50    HE2  LYS   7           HE2      LYS   7  -2.976   3.573  -7.486
   51    HE3  LYS   7           HE1      LYS   7  -1.259   3.793  -7.788
   52    HZ1  LYS   7           HZ1      LYS   7  -1.787   4.493 -10.050
   53    HZ2  LYS   7           HZ2      LYS   7  -2.564   5.461  -8.920
   54    HZ3  LYS   7           HZ3      LYS   7  -3.427   4.284  -9.746
   55    H    CYS   8           H        CYS   8  -0.488   2.132  -3.946
   56    HA   CYS   8           HA       CYS   8  -3.170   1.262  -3.139
   57    HB2  CYS   8           HB2      CYS   8  -2.503   2.153  -0.845
   58    HB3  CYS   8           HB1      CYS   8  -1.919   0.574  -1.339
   59    H    SER   9           H        SER   9  -4.360   2.884  -1.870
   60    HA   SER   9           HA       SER   9  -4.222   5.366  -3.247
   61    HB2  SER   9           HB2      SER   9  -6.159   4.275  -1.297
   62    HB3  SER   9           HB1      SER   9  -6.392   5.562  -2.479
   63    HG   SER   9           HG       SER   9  -6.121   2.782  -2.948
   64    HA   HYP  10           HA       HYP  10  -1.644   7.060  -0.141
   65    HB2  HYP  10           HB1      HYP  10  -1.459   9.169  -0.934
   66    HB3  HYP  10           HB2      HYP  10  -3.062   9.603  -0.316
   67    HG   HYP  10           HG       HYP  10  -3.354   9.598  -2.748
   68   HD22  HYP  10          HD11      HYP  10  -4.497   7.298  -2.989
   69   HD23  HYP  10          HD12      HYP  10  -4.973   8.177  -1.507
   70    HD1  HYP  10           HD2      HYP  10  -2.449   7.090  -2.953
   71    H    SER  11           H        SER  11  -5.113   7.675   0.477
   72    HA   SER  11           HA       SER  11  -4.402   7.866   3.330
   73    HB2  SER  11           HB2      SER  11  -6.651   9.266   1.888
   74    HB3  SER  11           HB1      SER  11  -6.219   9.454   3.592
   75    HG   SER  11           HG       SER  11  -5.385  10.975   1.800
   76    H    MET  12           H        MET  12  -5.412   5.544   1.520
   77    HA   MET  12           HA       MET  12  -7.885   5.060   3.037
   78    HB2  MET  12           HB2      MET  12  -7.126   3.911   0.365
   79    HB3  MET  12           HB1      MET  12  -8.558   3.472   1.279
   80    HG2  MET  12           HG2      MET  12  -9.409   5.722   1.116
   81    HG3  MET  12           HG1      MET  12  -7.945   6.244   0.286
   82    HE1  MET  12           HE1      MET  12 -11.082   3.356  -1.491
   83    HE2  MET  12           HE2      MET  12 -11.213   4.111   0.096
   84    HE3  MET  12          3HE       MET  12  -9.987   2.878  -0.197
   85    H    ARG  13           H        ARG  13  -4.755   3.962   2.631
   86    HA   ARG  13           HA       ARG  13  -3.569   2.049   3.097
   87    HB2  ARG  13           HB2      ARG  13  -4.295   3.028   5.260
   88    HB3  ARG  13           HB1      ARG  13  -5.678   1.953   5.219
   89    HG2  ARG  13           HG2      ARG  13  -3.905   0.059   5.167
   90    HG3  ARG  13           HG1      ARG  13  -2.752   1.308   5.636
   91    HD2  ARG  13           HD2      ARG  13  -3.451   0.257   7.642
   92    HD3  ARG  13           HD1      ARG  13  -4.297   1.804   7.587
   93    HE   ARG  13           HE       ARG  13  -5.800  -0.272   6.374
   94   HH11  ARG  13          HH11      ARG  13  -5.081   1.132   9.545
   95   HH12  ARG  13          HH12      ARG  13  -6.452   0.452  10.292
   96   HH21  ARG  13          HH21      ARG  13  -7.595  -1.191   7.374
   97   HH22  ARG  13          HH22      ARG  13  -7.922  -0.923   9.037
   98    H    ASP  14           H        ASP  14  -5.329   1.589   1.060
   99    HA   ASP  14           HA       ASP  14  -7.321  -0.375   1.606
  100    HB2  ASP  14           HB2      ASP  14  -7.762  -0.253  -0.837
  101    HB3  ASP  14           HB1      ASP  14  -7.824   1.300  -0.020
  102    H    CYS  15           H        CYS  15  -4.332  -0.947   1.717
  103    HA   CYS  15           HA       CYS  15  -4.189  -3.276  -0.027
  104    HB2  CYS  15           HB2      CYS  15  -2.211  -2.313   2.029
  105    HB3  CYS  15           HB1      CYS  15  -1.956  -3.548   0.825
  106    H    CYS  16           H        CYS  16  -3.633  -5.347   0.922
  107    HA   CYS  16           HA       CYS  16  -5.367  -6.084   2.996
  108    HB2  CYS  16           HB2      CYS  16  -2.958  -7.522   1.900
  109    HB3  CYS  16           HB1      CYS  16  -4.225  -8.257   2.874
  110    H    THR  17           H        THR  17  -1.973  -5.235   2.943
  111    HA   THR  17           HA       THR  17  -1.753  -5.690   5.794
  112    HB   THR  17           HB       THR  17   0.645  -4.922   5.285
  113    HG1  THR  17           HG1      THR  17   1.164  -5.097   3.006
  114   HG21  THR  17          HG21      THR  17  -0.403  -7.372   3.835
  115   HG22  THR  17          HG22      THR  17   0.044  -7.314   5.543
  116   HG23  THR  17          HG23      THR  17   1.277  -7.095   4.303
  117    H    THR  18           H        THR  18  -0.406  -3.209   3.790
  118    HA   THR  18           HA       THR  18  -2.105  -1.126   4.414
  119    HB   THR  18           HB       THR  18  -1.134  -1.318   6.617
  120    HG1  THR  18           HG1      THR  18  -0.625   0.851   6.849
  121   HG21  THR  18          HG21      THR  18   1.024  -2.276   6.124
  122   HG22  THR  18          HG22      THR  18   1.263  -0.782   7.032
  123   HG23  THR  18          HG23      THR  18   1.524  -0.810   5.287
  124    H    CYS  19           H        CYS  19  -0.650   0.963   3.994
  125    HA   CYS  19           HA       CYS  19   0.397   0.519   1.260
  126    HB2  CYS  19           HB2      CYS  19  -1.670   1.754   1.375
  127    HB3  CYS  19           HB1      CYS  19  -1.023   2.843   2.595
  128    H    ILE  20           H        ILE  20   2.470   0.982   0.974
  129    HA   ILE  20           HA       ILE  20   4.108   2.291   2.942
  130    HB   ILE  20           HB       ILE  20   4.759   1.652   0.041
  131   HG12  ILE  20          HG12      ILE  20   5.020  -0.172   2.443
  132   HG13  ILE  20          HG11      ILE  20   3.912  -0.360   1.115
  133   HG21  ILE  20          HG21      ILE  20   6.361   3.108   1.155
  134   HG22  ILE  20          HG22      ILE  20   7.078   1.527   0.840
  135   HG23  ILE  20          HG23      ILE  20   6.533   1.939   2.467
  136   HD11  ILE  20          HD11      ILE  20   6.904  -0.462   0.805
  137   HD12  ILE  20          HD12      ILE  20   5.706  -0.736  -0.457
  138   HD13  ILE  20          HD13      ILE  20   5.840  -1.868   0.883
  139    H    SER  21           H        SER  21   3.578   4.448   3.094
  140    HA   SER  21           HA       SER  21   2.275   5.950   1.143
  141    HB2  SER  21           HB2      SER  21   3.927   6.988   3.426
  142    HB3  SER  21           HB1      SER  21   2.526   7.753   2.673
  143    HG   SER  21           HG       SER  21   1.428   5.673   3.329
  144    H    TYR  22           H        TYR  22   5.630   5.337   1.591
  145    HA   TYR  22           HA       TYR  22   6.746   7.622   0.336
  146    HB2  TYR  22           HB2      TYR  22   7.906   5.897   1.800
  147    HB3  TYR  22           HB1      TYR  22   7.869   4.831   0.421
  148    HD1  TYR  22           HD1      TYR  22   9.234   5.347  -1.605
  149    HD2  TYR  22           HD2      TYR  22   9.567   7.648   1.953
  150    HE1  TYR  22           HE1      TYR  22  11.388   6.226  -2.380
  151    HE2  TYR  22           HE2      TYR  22  11.735   8.535   1.175
  152    HH   TYR  22           HH       TYR  22  12.849   8.217  -1.998
  153    H    THR  23           H        THR  23   6.231   4.337  -0.831
  154    HA   THR  23           HA       THR  23   6.706   5.205  -3.599
  155    HB   THR  23           HB       THR  23   6.424   2.369  -2.596
  156    HG1  THR  23           HG1      THR  23   8.931   3.591  -2.919
  157   HG21  THR  23          HG21      THR  23   7.945   3.593  -4.921
  158   HG22  THR  23          HG22      THR  23   6.441   2.689  -5.047
  159   HG23  THR  23          HG23      THR  23   7.912   1.882  -4.503
  160    H    LYS  24           H        LYS  24   4.077   4.604  -1.577
  161    HA   LYS  24           HA       LYS  24   1.965   4.094  -1.718
  162    HB2  LYS  24           HB2      LYS  24   2.059   4.986  -4.603
  163    HB3  LYS  24           HB1      LYS  24   0.653   4.661  -3.654
  164    HG2  LYS  24           HG2      LYS  24   0.910   7.058  -3.784
  165    HG3  LYS  24           HG1      LYS  24   1.136   6.510  -2.132
  166    HD2  LYS  24           HD2      LYS  24   3.549   6.663  -2.403
  167    HD3  LYS  24           HD1      LYS  24   3.331   7.172  -4.078
  168    HE2  LYS  24           HE2      LYS  24   2.209   9.181  -3.361
  169    HE3  LYS  24           HE1      LYS  24   2.254   8.631  -1.684
  170    HZ1  LYS  24           HZ1      LYS  24   4.655   8.752  -1.741
  171    HZ2  LYS  24           HZ2      LYS  24   3.980  10.232  -2.118
  172    HZ3  LYS  24           HZ3      LYS  24   4.624   9.278  -3.354
  173    H    ARG  25           H        ARG  25   3.342   1.994  -1.720
  174    HA   ARG  25           HA       ARG  25   1.848   0.252  -3.513
  175    HB2  ARG  25           HB2      ARG  25   4.728  -0.204  -2.701
  176    HB3  ARG  25           HB1      ARG  25   3.739  -1.334  -3.599
  177    HG2  ARG  25           HG2      ARG  25   4.734   1.349  -4.539
  178    HG3  ARG  25           HG1      ARG  25   5.205  -0.235  -5.153
  179    HD2  ARG  25           HD2      ARG  25   2.737  -0.532  -5.807
  180    HD3  ARG  25           HD1      ARG  25   2.560   1.138  -5.357
  181    HE   ARG  25           HE       ARG  25   4.209   0.204  -7.577
  182   HH11  ARG  25          HH11      ARG  25   2.483   2.821  -5.914
  183   HH12  ARG  25          HH12      ARG  25   2.501   3.890  -7.228
  184   HH21  ARG  25          HH21      ARG  25   4.198   1.653  -9.429
  185   HH22  ARG  25          HH22      ARG  25   3.467   3.189  -9.307
  186    H    CYS  26           H        CYS  26   1.712  -1.942  -2.592
  187    HA   CYS  26           HA       CYS  26   0.912  -1.622   0.135
  188    HB2  CYS  26           HB2      CYS  26   0.679  -3.968  -1.724
  189    HB3  CYS  26           HB1      CYS  26  -0.052  -3.869  -0.119
  190    H    ARG  27           H        ARG  27   1.722  -2.452   1.849
  191    HA   ARG  27           HA       ARG  27   4.481  -3.058   1.933
  192    HB2  ARG  27           HB2      ARG  27   2.918  -1.892   3.636
  193    HB3  ARG  27           HB1      ARG  27   2.495  -3.506   4.117
  194    HG2  ARG  27           HG2      ARG  27   4.713  -4.011   4.844
  195    HG3  ARG  27           HG1      ARG  27   5.322  -2.498   4.159
  196    HD2  ARG  27           HD2      ARG  27   3.984  -1.215   5.695
  197    HD3  ARG  27           HD1      ARG  27   3.277  -2.683   6.352
  198    HE   ARG  27           HE       ARG  27   5.799  -3.139   6.841
  199   HH11  ARG  27          HH11      ARG  27   4.173   0.009   7.131
  200   HH12  ARG  27          HH12      ARG  27   4.934   0.417   8.597
  201   HH21  ARG  27          HH21      ARG  27   6.825  -2.572   8.861
  202   HH22  ARG  27          HH22      ARG  27   6.482  -1.071   9.601
  203    H    LYS  28           H        LYS  28   5.422  -4.957   2.760
  204    HA   LYS  28           HA       LYS  28   4.293  -7.406   1.691
  205    HB2  LYS  28           HB2      LYS  28   6.819  -6.942   3.240
  206    HB3  LYS  28           HB1      LYS  28   6.434  -8.304   2.204
  207    HG2  LYS  28           HG2      LYS  28   6.470  -6.938   0.250
  208    HG3  LYS  28           HG1      LYS  28   6.670  -5.479   1.208
  209    HD2  LYS  28           HD2      LYS  28   8.839  -6.359   2.011
  210    HD3  LYS  28           HD1      LYS  28   8.634  -7.748   0.946
  211    HE2  LYS  28           HE2      LYS  28   8.810  -4.862   0.118
  212    HE3  LYS  28           HE1      LYS  28  10.049  -6.095  -0.117
  213    HZ1  LYS  28           HZ1      LYS  28   7.364  -6.000  -1.359
  214    HZ2  LYS  28           HZ2      LYS  28   8.428  -7.297  -1.516
  215    HZ3  LYS  28           HZ3      LYS  28   8.843  -5.781  -2.136
  216    H    TYR  29           H        TYR  29   4.899  -9.311   3.120
  217    HA   TYR  29           HA       TYR  29   3.144  -9.399   5.338
  218    HB2  TYR  29           HB2      TYR  29   5.238 -11.253   4.279
  219    HB3  TYR  29           HB1      TYR  29   4.518 -11.578   5.849
  220    HD1  TYR  29           HD1      TYR  29   3.691 -11.069   2.244
  221    HD2  TYR  29           HD2      TYR  29   2.420 -12.611   5.993
  222    HE1  TYR  29           HE1      TYR  29   1.780 -12.126   1.153
  223    HE2  TYR  29           HE2      TYR  29   0.504 -13.678   4.914
  224    HH   TYR  29           HH       TYR  29   0.225 -14.088   1.607
  225    H    TYR  30           H        TYR  30   6.651  -9.412   5.166
  226    HA   TYR  30           HA       TYR  30   6.747  -8.386   7.853
  227    HB2  TYR  30           HB2      TYR  30   8.988  -9.289   6.002
  228    HB3  TYR  30           HB1      TYR  30   9.223  -8.667   7.624
  229    HD1  TYR  30           HD1      TYR  30   8.032 -11.527   5.639
  230    HD2  TYR  30           HD2      TYR  30   8.827 -10.040   9.539
  231    HE1  TYR  30           HE1      TYR  30   7.877 -13.798   6.528
  232    HE2  TYR  30           HE2      TYR  30   8.673 -12.309  10.443
  233    HH   TYR  30           HH       TYR  30   7.799 -14.447   9.943
  Start of MODEL   13
    1    H1   CYS   1           HT1      CYS   1  -8.628  -7.243  -1.156
    2    H2   CYS   1           HT2      CYS   1  -9.370  -6.113  -2.166
    3    H3   CYS   1           HT3      CYS   1  -9.780  -6.179  -0.523
    4    HA   CYS   1           HA       CYS   1  -8.356  -4.329  -1.023
    5    HB2  CYS   1           HB2      CYS   1  -6.560  -4.930   0.677
    6    HB3  CYS   1           HB1      CYS   1  -8.225  -5.084   1.213
    7    H    LYS   2           H        LYS   2  -5.997  -3.748  -1.243
    8    HA   LYS   2           HA       LYS   2  -4.926  -4.969  -3.624
    9    HB2  LYS   2           HB2      LYS   2  -3.746  -2.783  -1.872
   10    HB3  LYS   2           HB1      LYS   2  -3.157  -3.290  -3.424
   11    HG2  LYS   2           HG2      LYS   2  -5.869  -2.091  -3.003
   12    HG3  LYS   2           HG1      LYS   2  -4.417  -1.187  -3.433
   13    HD2  LYS   2           HD2      LYS   2  -4.193  -2.610  -5.448
   14    HD3  LYS   2           HD1      LYS   2  -5.742  -3.358  -5.040
   15    HE2  LYS   2           HE2      LYS   2  -5.963  -1.550  -6.711
   16    HE3  LYS   2           HE1      LYS   2  -6.860  -1.235  -5.227
   17    HZ1  LYS   2           HZ1      LYS   2  -5.226   0.303  -4.507
   18    HZ2  LYS   2           HZ2      LYS   2  -5.561   0.708  -6.097
   19    HZ3  LYS   2           HZ3      LYS   2  -4.145  -0.103  -5.726
   20    HA   PRO   3           HA       PRO   3  -2.365  -7.795  -1.260
   21    HB2  PRO   3           HB2      PRO   3  -0.977  -8.811  -3.355
   22    HB3  PRO   3           HB1      PRO   3  -2.658  -9.255  -3.040
   23    HG2  PRO   3           HG2      PRO   3  -1.560  -7.261  -4.982
   24    HG3  PRO   3           HG1      PRO   3  -2.836  -8.472  -5.224
   25    HD2  PRO   3           HD2      PRO   3  -3.373  -5.874  -4.747
   26    HD3  PRO   3           HD1      PRO   3  -4.430  -7.186  -4.183
   27    HA   HYP   4           HA       HYP   4   1.467  -5.703  -0.417
   28    HB2  HYP   4           HB1      HYP   4   2.237  -7.352   0.946
   29    HB3  HYP   4           HB2      HYP   4   3.276  -7.793  -0.418
   30    HG   HYP   4           HG       HYP   4   1.894  -9.509  -1.076
   31   HD22  HYP   4          HD11      HYP   4  -0.451  -8.362   0.453
   32   HD23  HYP   4          HD12      HYP   4  -0.468  -9.224  -1.098
   33    HD1  HYP   4           HD2      HYP   4   0.605  -9.990   1.038
   34    H    GLY   5           H        GLY   5   2.526  -4.484  -1.772
   35    HA2  GLY   5           HA2      GLY   5   4.224  -4.148  -3.353
   36    HA3  GLY   5           HA1      GLY   5   3.819  -5.693  -4.084
   37    H    SER   6           H        SER   6   0.888  -4.710  -3.764
   38    HA   SER   6           HA       SER   6   0.652  -3.620  -6.369
   39    HB2  SER   6           HB2      SER   6  -1.209  -4.765  -5.674
   40    HB3  SER   6           HB1      SER   6  -1.371  -3.859  -4.124
   41    HG   SER   6           HG       SER   6  -2.183  -2.183  -5.372
   42    H    LYS   7           H        LYS   7  -0.565  -1.791  -6.602
   43    HA   LYS   7           HA       LYS   7   0.864   0.438  -5.310
   44    HB2  LYS   7           HB2      LYS   7   0.701   0.562  -7.789
   45    HB3  LYS   7           HB1      LYS   7  -1.055   0.620  -7.675
   46    HG2  LYS   7           HG2      LYS   7  -0.930   2.761  -6.518
   47    HG3  LYS   7           HG1      LYS   7   0.827   2.690  -6.537
   48    HD2  LYS   7           HD2      LYS   7  -0.929   2.796  -8.983
   49    HD3  LYS   7           HD1      LYS   7  -0.120   4.189  -8.273
   50    HE2  LYS   7           HE2      LYS   7   2.057   3.019  -8.641
   51    HE3  LYS   7           HE1      LYS   7   1.182   1.746  -9.483
   52    HZ1  LYS   7           HZ1      LYS   7   1.296   4.594 -10.263
   53    HZ2  LYS   7           HZ2      LYS   7   0.421   3.417 -11.094
   54    HZ3  LYS   7           HZ3      LYS   7   2.110   3.344 -11.025
   55    H    CYS   8           H        CYS   8  -0.171   1.967  -4.118
   56    HA   CYS   8           HA       CYS   8  -2.930   1.265  -3.378
   57    HB2  CYS   8           HB2      CYS   8  -2.317   1.827  -1.063
   58    HB3  CYS   8           HB1      CYS   8  -1.613   0.350  -1.695
   59    H    SER   9           H        SER   9  -3.882   2.862  -1.867
   60    HA   SER   9           HA       SER   9  -3.470   5.542  -2.798
   61    HB2  SER   9           HB2      SER   9  -5.765   4.280  -1.412
   62    HB3  SER   9           HB1      SER   9  -5.675   5.766  -2.367
   63    HG   SER   9           HG       SER   9  -5.642   3.093  -3.255
   64    HA   HYP  10           HA       HYP  10  -1.680   6.158   1.206
   65    HB2  HYP  10           HB1      HYP  10  -0.935   8.287   0.989
   66    HB3  HYP  10           HB2      HYP  10  -2.571   8.948   1.154
   67    HG   HYP  10           HG       HYP  10  -1.999   9.345  -1.187
   68   HD22  HYP  10          HD11      HYP  10  -3.347   7.399  -2.221
   69   HD23  HYP  10          HD12      HYP  10  -4.157   8.160  -0.822
   70    HD1  HYP  10           HD2      HYP  10  -1.519   6.750  -1.572
   71    H    SER  11           H        SER  11  -4.711   8.159   1.212
   72    HA   SER  11           HA       SER  11  -4.827   7.760   4.040
   73    HB2  SER  11           HB2      SER  11  -6.822   9.305   3.837
   74    HB3  SER  11           HB1      SER  11  -5.270   9.953   3.310
   75    HG   SER  11           HG       SER  11  -7.541   9.515   1.902
   76    H    MET  12           H        MET  12  -6.509   6.495   1.259
   77    HA   MET  12           HA       MET  12  -8.718   5.538   2.790
   78    HB2  MET  12           HB2      MET  12  -7.849   4.853  -0.002
   79    HB3  MET  12           HB1      MET  12  -9.231   4.103   0.778
   80    HG2  MET  12           HG2      MET  12 -10.287   6.284   1.020
   81    HG3  MET  12           HG1      MET  12  -8.906   7.050   0.242
   82    HE1  MET  12           HE1      MET  12 -11.765   4.102  -1.872
   83    HE2  MET  12           HE2      MET  12 -11.908   4.571  -0.178
   84    HE3  MET  12          3HE       MET  12 -10.554   3.577  -0.711
   85    H    ARG  13           H        ARG  13  -5.651   4.333   2.178
   86    HA   ARG  13           HA       ARG  13  -4.574   2.379   2.498
   87    HB2  ARG  13           HB2      ARG  13  -4.890   3.036   4.786
   88    HB3  ARG  13           HB1      ARG  13  -6.518   2.377   4.767
   89    HG2  ARG  13           HG2      ARG  13  -5.537   0.098   4.558
   90    HG3  ARG  13           HG1      ARG  13  -3.926   0.814   4.595
   91    HD2  ARG  13           HD2      ARG  13  -4.391   1.721   6.817
   92    HD3  ARG  13           HD1      ARG  13  -5.987   0.972   6.781
   93    HE   ARG  13           HE       ARG  13  -4.369  -1.114   6.366
   94   HH11  ARG  13          HH11      ARG  13  -4.517   1.366   8.854
   95   HH12  ARG  13          HH12      ARG  13  -3.727   0.442  10.042
   96   HH21  ARG  13          HH21      ARG  13  -3.203  -2.358   7.936
   97   HH22  ARG  13          HH22      ARG  13  -2.904  -1.714   9.503
   98    H    ASP  14           H        ASP  14  -5.279   1.479   0.573
   99    HA   ASP  14           HA       ASP  14  -7.603  -0.221   0.697
  100    HB2  ASP  14           HB2      ASP  14  -7.337  -0.302  -1.802
  101    HB3  ASP  14           HB1      ASP  14  -7.672   1.284  -1.134
  102    H    CYS  15           H        CYS  15  -4.491  -0.619   1.306
  103    HA   CYS  15           HA       CYS  15  -4.158  -3.185  -0.037
  104    HB2  CYS  15           HB2      CYS  15  -2.419  -2.098   2.155
  105    HB3  CYS  15           HB1      CYS  15  -2.054  -3.328   0.980
  106    H    CYS  16           H        CYS  16  -3.868  -5.123   1.013
  107    HA   CYS  16           HA       CYS  16  -5.682  -5.706   3.070
  108    HB2  CYS  16           HB2      CYS  16  -3.272  -7.272   2.168
  109    HB3  CYS  16           HB1      CYS  16  -4.679  -7.910   3.016
  110    H    THR  17           H        THR  17  -2.221  -5.041   3.052
  111    HA   THR  17           HA       THR  17  -1.997  -5.441   5.909
  112    HB   THR  17           HB       THR  17   0.405  -4.674   5.375
  113    HG1  THR  17           HG1      THR  17   0.920  -4.873   3.118
  114   HG21  THR  17          HG21      THR  17   1.037  -6.863   4.415
  115   HG22  THR  17          HG22      THR  17  -0.642  -7.158   3.975
  116   HG23  THR  17          HG23      THR  17  -0.179  -7.066   5.674
  117    H    THR  18           H        THR  18  -0.593  -2.939   3.915
  118    HA   THR  18           HA       THR  18  -2.302  -0.862   4.520
  119    HB   THR  18           HB       THR  18  -1.234  -1.092   6.773
  120    HG1  THR  18           HG1      THR  18  -0.644   1.174   6.899
  121   HG21  THR  18          HG21      THR  18   1.295  -0.297   5.317
  122   HG22  THR  18          HG22      THR  18   0.981  -1.856   6.079
  123   HG23  THR  18          HG23      THR  18   1.111  -0.399   7.068
  124    H    CYS  19           H        CYS  19  -0.962   1.239   3.919
  125    HA   CYS  19           HA       CYS  19   0.288   0.604   1.321
  126    HB2  CYS  19           HB2      CYS  19  -1.798   1.822   1.170
  127    HB3  CYS  19           HB1      CYS  19  -1.247   3.017   2.335
  128    H    ILE  20           H        ILE  20   2.371   1.133   1.088
  129    HA   ILE  20           HA       ILE  20   3.651   2.876   3.018
  130    HB   ILE  20           HB       ILE  20   4.899   1.590   0.572
  131   HG12  ILE  20          HG12      ILE  20   4.504   0.386   3.318
  132   HG13  ILE  20          HG11      ILE  20   3.892  -0.199   1.806
  133   HG21  ILE  20          HG21      ILE  20   6.985   1.828   1.848
  134   HG22  ILE  20          HG22      ILE  20   6.080   2.482   3.207
  135   HG23  ILE  20          HG23      ILE  20   6.157   3.383   1.692
  136   HD11  ILE  20          HD11      ILE  20   5.819  -1.533   2.559
  137   HD12  ILE  20          HD12      ILE  20   6.831  -0.097   2.453
  138   HD13  ILE  20          HD13      ILE  20   6.091  -0.763   0.997
  139    H    SER  21           H        SER  21   2.682   4.814   2.458
  140    HA   SER  21           HA       SER  21   2.120   5.674  -0.108
  141    HB2  SER  21           HB2      SER  21   2.581   7.352   2.351
  142    HB3  SER  21           HB1      SER  21   1.685   7.816   0.901
  143    HG   SER  21           HG       SER  21   0.420   6.956   2.749
  144    H    TYR  22           H        TYR  22   5.139   5.498   1.358
  145    HA   TYR  22           HA       TYR  22   6.636   7.548   0.184
  146    HB2  TYR  22           HB2      TYR  22   7.437   5.905   1.909
  147    HB3  TYR  22           HB1      TYR  22   7.416   4.679   0.675
  148    HD1  TYR  22           HD1      TYR  22   9.165   4.439  -0.925
  149    HD2  TYR  22           HD2      TYR  22   9.181   7.727   1.771
  150    HE1  TYR  22           HE1      TYR  22  11.465   4.919  -1.550
  151    HE2  TYR  22           HE2      TYR  22  11.494   8.229   1.140
  152    HH   TYR  22           HH       TYR  22  13.001   6.869  -1.563
  153    H    THR  23           H        THR  23   6.143   4.231  -0.885
  154    HA   THR  23           HA       THR  23   7.067   4.920  -3.600
  155    HB   THR  23           HB       THR  23   6.505   2.110  -2.669
  156    HG1  THR  23           HG1      THR  23   8.620   2.058  -1.838
  157   HG21  THR  23          HG21      THR  23   7.130   2.520  -5.023
  158   HG22  THR  23          HG22      THR  23   8.377   1.602  -4.181
  159   HG23  THR  23          HG23      THR  23   8.605   3.320  -4.486
  160    H    LYS  24           H        LYS  24   4.252   4.580  -1.882
  161    HA   LYS  24           HA       LYS  24   2.076   4.296  -2.264
  162    HB2  LYS  24           HB2      LYS  24   2.645   4.358  -5.220
  163    HB3  LYS  24           HB1      LYS  24   1.140   4.631  -4.399
  164    HG2  LYS  24           HG2      LYS  24   3.504   6.477  -4.188
  165    HG3  LYS  24           HG1      LYS  24   2.086   6.737  -5.202
  166    HD2  LYS  24           HD2      LYS  24   0.675   6.686  -3.168
  167    HD3  LYS  24           HD1      LYS  24   2.148   6.544  -2.202
  168    HE2  LYS  24           HE2      LYS  24   2.943   8.658  -3.101
  169    HE3  LYS  24           HE1      LYS  24   1.470   8.816  -4.059
  170    HZ1  LYS  24           HZ1      LYS  24   1.713   8.876  -1.103
  171    HZ2  LYS  24           HZ2      LYS  24   0.256   8.688  -1.904
  172    HZ3  LYS  24           HZ3      LYS  24   1.156  10.100  -2.127
  173    H    ARG  25           H        ARG  25   3.657   2.051  -1.864
  174    HA   ARG  25           HA       ARG  25   2.111   0.114  -3.416
  175    HB2  ARG  25           HB2      ARG  25   4.946  -0.287  -2.523
  176    HB3  ARG  25           HB1      ARG  25   3.968  -1.492  -3.311
  177    HG2  ARG  25           HG2      ARG  25   5.011   1.064  -4.532
  178    HG3  ARG  25           HG1      ARG  25   5.483  -0.584  -4.939
  179    HD2  ARG  25           HD2      ARG  25   3.027  -0.957  -5.612
  180    HD3  ARG  25           HD1      ARG  25   2.860   0.756  -5.364
  181    HE   ARG  25           HE       ARG  25   4.788   0.902  -7.045
  182   HH11  ARG  25          HH11      ARG  25   2.154  -1.430  -7.217
  183   HH12  ARG  25          HH12      ARG  25   1.991  -1.361  -8.906
  184   HH21  ARG  25          HH21      ARG  25   4.618   0.979  -9.360
  185   HH22  ARG  25          HH22      ARG  25   3.470   0.016 -10.166
  186    H    CYS  26           H        CYS  26   1.839  -1.904  -2.349
  187    HA   CYS  26           HA       CYS  26   0.993  -1.405   0.348
  188    HB2  CYS  26           HB2      CYS  26   0.693  -3.840  -1.390
  189    HB3  CYS  26           HB1      CYS  26  -0.063  -3.617   0.187
  190    H    ARG  27           H        ARG  27   1.693  -2.279   2.126
  191    HA   ARG  27           HA       ARG  27   4.407  -2.996   2.353
  192    HB2  ARG  27           HB2      ARG  27   2.859  -1.862   4.071
  193    HB3  ARG  27           HB1      ARG  27   2.251  -3.452   4.366
  194    HG2  ARG  27           HG2      ARG  27   4.348  -4.285   5.133
  195    HG3  ARG  27           HG1      ARG  27   5.152  -2.769   4.718
  196    HD2  ARG  27           HD2      ARG  27   3.886  -1.584   6.374
  197    HD3  ARG  27           HD1      ARG  27   2.910  -3.011   6.707
  198    HE   ARG  27           HE       ARG  27   5.521  -3.742   7.154
  199   HH11  ARG  27          HH11      ARG  27   3.430  -1.226   8.463
  200   HH12  ARG  27          HH12      ARG  27   3.977  -1.410  10.059
  201   HH21  ARG  27          HH21      ARG  27   6.298  -3.962   9.363
  202   HH22  ARG  27          HH22      ARG  27   5.621  -2.985  10.578
  203    H    LYS  28           H        LYS  28   5.346  -4.928   2.839
  204    HA   LYS  28           HA       LYS  28   3.849  -7.408   2.268
  205    HB2  LYS  28           HB2      LYS  28   6.798  -7.008   2.739
  206    HB3  LYS  28           HB1      LYS  28   5.984  -8.380   2.039
  207    HG2  LYS  28           HG2      LYS  28   5.485  -7.246   0.023
  208    HG3  LYS  28           HG1      LYS  28   5.958  -5.695   0.704
  209    HD2  LYS  28           HD2      LYS  28   7.715  -6.373  -0.754
  210    HD3  LYS  28           HD1      LYS  28   8.300  -6.589   0.881
  211    HE2  LYS  28           HE2      LYS  28   7.214  -8.811  -0.865
  212    HE3  LYS  28           HE1      LYS  28   8.921  -8.434  -0.690
  213    HZ1  LYS  28           HZ1      LYS  28   8.428 -10.238   0.736
  214    HZ2  LYS  28           HZ2      LYS  28   7.077  -9.510   1.366
  215    HZ3  LYS  28           HZ3      LYS  28   8.590  -8.928   1.779
  216    H    TYR  29           H        TYR  29   4.838  -9.204   3.645
  217    HA   TYR  29           HA       TYR  29   4.350  -8.562   6.441
  218    HB2  TYR  29           HB2      TYR  29   5.129 -11.174   5.118
  219    HB3  TYR  29           HB1      TYR  29   4.603 -10.988   6.773
  220    HD1  TYR  29           HD1      TYR  29   3.606 -11.999   3.605
  221    HD2  TYR  29           HD2      TYR  29   2.182  -9.756   6.931
  222    HE1  TYR  29           HE1      TYR  29   1.313 -12.399   2.879
  223    HE2  TYR  29           HE2      TYR  29  -0.125 -10.152   6.215
  224    HH   TYR  29           HH       TYR  29  -0.958 -12.478   3.966
  225    H    TYR  30           H        TYR  30   6.735 -10.303   4.603
  226    HA   TYR  30           HA       TYR  30   8.906  -8.969   5.928
  227    HB2  TYR  30           HB2      TYR  30   8.664 -11.944   5.381
  228    HB3  TYR  30           HB1      TYR  30  10.163 -11.146   5.813
  229    HD1  TYR  30           HD1      TYR  30  10.389 -10.163   8.082
  230    HD2  TYR  30           HD2      TYR  30   7.079 -12.611   7.037
  231    HE1  TYR  30           HE1      TYR  30   9.934 -10.535  10.450
  232    HE2  TYR  30           HE2      TYR  30   6.607 -12.994   9.406
  233    HH   TYR  30           HH       TYR  30   7.821 -12.938  11.554
  Start of MODEL   14
    1    H1   CYS   1           HT1      CYS   1  -9.649  -6.178  -0.284
    2    H2   CYS   1           HT2      CYS   1  -8.456  -7.295  -0.712
    3    H3   CYS   1           HT3      CYS   1  -9.119  -6.307  -1.888
    4    HA   CYS   1           HA       CYS   1  -8.174  -4.394  -0.920
    5    HB2  CYS   1           HB2      CYS   1  -6.457  -4.781   0.920
    6    HB3  CYS   1           HB1      CYS   1  -8.141  -4.856   1.405
    7    H    LYS   2           H        LYS   2  -5.879  -3.805  -1.159
    8    HA   LYS   2           HA       LYS   2  -4.881  -5.079  -3.492
    9    HB2  LYS   2           HB2      LYS   2  -3.558  -2.960  -1.782
   10    HB3  LYS   2           HB1      LYS   2  -3.147  -3.416  -3.411
   11    HG2  LYS   2           HG2      LYS   2  -5.759  -2.181  -2.625
   12    HG3  LYS   2           HG1      LYS   2  -4.356  -1.293  -3.213
   13    HD2  LYS   2           HD2      LYS   2  -4.452  -2.682  -5.283
   14    HD3  LYS   2           HD1      LYS   2  -5.979  -3.350  -4.697
   15    HE2  LYS   2           HE2      LYS   2  -6.959  -1.124  -4.627
   16    HE3  LYS   2           HE1      LYS   2  -5.419  -0.422  -5.118
   17    HZ1  LYS   2           HZ1      LYS   2  -5.604  -1.636  -7.202
   18    HZ2  LYS   2           HZ2      LYS   2  -6.882  -0.573  -6.978
   19    HZ3  LYS   2           HZ3      LYS   2  -7.123  -2.225  -6.746
   20    HA   PRO   3           HA       PRO   3  -2.220  -7.921  -1.218
   21    HB2  PRO   3           HB2      PRO   3  -1.044  -8.464  -3.857
   22    HB3  PRO   3           HB1      PRO   3  -1.911  -9.568  -2.788
   23    HG2  PRO   3           HG2      PRO   3  -2.987  -8.705  -5.094
   24    HG3  PRO   3           HG1      PRO   3  -3.968  -9.001  -3.653
   25    HD2  PRO   3           HD2      PRO   3  -2.984  -6.396  -4.748
   26    HD3  PRO   3           HD1      PRO   3  -4.571  -6.852  -4.076
   27    HA   HYP   4           HA       HYP   4   1.603  -5.719  -0.647
   28    HB2  HYP   4           HB1      HYP   4   3.151  -7.158   0.213
   29    HB3  HYP   4           HB2      HYP   4   3.048  -8.274  -1.161
   30    HG   HYP   4           HG       HYP   4   1.869  -9.396   0.615
   31   HD22  HYP   4          HD11      HYP   4  -0.601  -8.720  -0.136
   32   HD23  HYP   4          HD12      HYP   4   0.492  -9.390  -1.374
   33    HD1  HYP   4           HD2      HYP   4   1.674  -7.100   1.629
   34    H    GLY   5           H        GLY   5   2.738  -4.473  -1.955
   35    HA2  GLY   5           HA2      GLY   5   4.239  -4.041  -3.700
   36    HA3  GLY   5           HA1      GLY   5   3.731  -5.532  -4.472
   37    H    SER   6           H        SER   6   0.867  -4.624  -3.925
   38    HA   SER   6           HA       SER   6   0.496  -3.394  -6.442
   39    HB2  SER   6           HB2      SER   6  -1.289  -4.667  -5.841
   40    HB3  SER   6           HB1      SER   6  -1.419  -3.970  -4.187
   41    HG   SER   6           HG       SER   6  -2.336  -2.139  -5.211
   42    H    LYS   7           H        LYS   7  -0.825  -1.632  -6.530
   43    HA   LYS   7           HA       LYS   7   0.525   0.584  -5.125
   44    HB2  LYS   7           HB2      LYS   7  -0.501   2.167  -6.740
   45    HB3  LYS   7           HB1      LYS   7   0.465   0.929  -7.528
   46    HG2  LYS   7           HG2      LYS   7  -1.489  -0.231  -8.268
   47    HG3  LYS   7           HG1      LYS   7  -2.535   0.800  -7.294
   48    HD2  LYS   7           HD2      LYS   7  -2.566   1.424  -9.685
   49    HD3  LYS   7           HD1      LYS   7  -1.964   2.725  -8.660
   50    HE2  LYS   7           HE2      LYS   7   0.322   2.174  -9.264
   51    HE3  LYS   7           HE1      LYS   7  -0.235   0.805 -10.220
   52    HZ1  LYS   7           HZ1      LYS   7   0.269   2.767 -11.572
   53    HZ2  LYS   7           HZ2      LYS   7  -0.916   3.654 -10.778
   54    HZ3  LYS   7           HZ3      LYS   7  -1.336   2.325 -11.710
   55    H    CYS   8           H        CYS   8  -0.535   2.091  -3.968
   56    HA   CYS   8           HA       CYS   8  -3.352   1.495  -3.372
   57    HB2  CYS   8           HB2      CYS   8  -2.689   2.182  -0.985
   58    HB3  CYS   8           HB1      CYS   8  -2.363   0.548  -1.544
   59    H    SER   9           H        SER   9  -4.343   3.271  -1.931
   60    HA   SER   9           HA       SER   9  -3.948   5.746  -3.266
   61    HB2  SER   9           HB2      SER   9  -5.937   6.313  -2.047
   62    HB3  SER   9           HB1      SER   9  -6.144   4.793  -2.923
   63    HG   SER   9           HG       SER   9  -5.850   3.702  -0.965
   64    HA   HYP  10           HA       HYP  10  -2.169   7.250   0.587
   65    HB2  HYP  10           HB1      HYP  10  -1.380   9.221  -0.260
   66    HB3  HYP  10           HB2      HYP  10  -2.935   9.998   0.044
   67    HG   HYP  10           HG       HYP  10  -2.887  10.013  -2.324
   68   HD22  HYP  10          HD11      HYP  10  -4.100   7.748  -2.904
   69   HD23  HYP  10          HD12      HYP  10  -4.857   8.767  -1.652
   70    HD1  HYP  10           HD2      HYP  10  -2.222   7.748  -3.155
   71    H    SER  11           H        SER  11  -5.288   6.893   0.523
   72    HA   SER  11           HA       SER  11  -5.650   8.168   3.114
   73    HB2  SER  11           HB2      SER  11  -6.467   9.799   1.454
   74    HB3  SER  11           HB1      SER  11  -7.602   8.601   0.848
   75    HG   SER  11           HG       SER  11  -8.888   9.072   2.396
   76    H    MET  12           H        MET  12  -6.666   5.589   0.859
   77    HA   MET  12           HA       MET  12  -8.814   4.907   2.663
   78    HB2  MET  12           HB2      MET  12  -7.954   3.636   0.084
   79    HB3  MET  12           HB1      MET  12  -9.262   3.024   1.076
   80    HG2  MET  12           HG2      MET  12 -10.398   5.227   0.796
   81    HG3  MET  12           HG1      MET  12  -9.129   5.670  -0.345
   82    HE1  MET  12           HE1      MET  12  -8.621   2.841  -1.848
   83    HE2  MET  12           HE2      MET  12  -8.720   4.396  -2.668
   84    HE3  MET  12          3HE       MET  12  -9.700   3.043  -3.228
   85    H    ARG  13           H        ARG  13  -5.600   4.034   2.313
   86    HA   ARG  13           HA       ARG  13  -4.352   2.210   2.707
   87    HB2  ARG  13           HB2      ARG  13  -4.752   2.993   4.993
   88    HB3  ARG  13           HB1      ARG  13  -6.261   2.095   5.009
   89    HG2  ARG  13           HG2      ARG  13  -4.991  -0.021   4.903
   90    HG3  ARG  13           HG1      ARG  13  -3.483   0.885   4.834
   91    HD2  ARG  13           HD2      ARG  13  -3.937   1.789   7.056
   92    HD3  ARG  13           HD1      ARG  13  -5.446   0.871   7.122
   93    HE   ARG  13           HE       ARG  13  -3.912  -1.128   6.817
   94   HH11  ARG  13          HH11      ARG  13  -3.022   1.768   8.686
   95   HH12  ARG  13          HH12      ARG  13  -1.841   0.936   9.599
   96   HH21  ARG  13          HH21      ARG  13  -2.287  -2.193   8.080
   97   HH22  ARG  13          HH22      ARG  13  -1.445  -1.347   9.286
   98    H    ASP  14           H        ASP  14  -5.487   1.554   0.749
   99    HA   ASP  14           HA       ASP  14  -7.504  -0.419   1.024
  100    HB2  ASP  14           HB2      ASP  14  -7.385  -0.434  -1.519
  101    HB3  ASP  14           HB1      ASP  14  -7.887   1.063  -0.749
  102    H    CYS  15           H        CYS  15  -4.352  -0.645   1.390
  103    HA   CYS  15           HA       CYS  15  -3.991  -3.211   0.077
  104    HB2  CYS  15           HB2      CYS  15  -2.226  -2.053   2.231
  105    HB3  CYS  15           HB1      CYS  15  -1.864  -3.303   1.092
  106    H    CYS  16           H        CYS  16  -3.707  -5.126   1.152
  107    HA   CYS  16           HA       CYS  16  -5.403  -5.592   3.343
  108    HB2  CYS  16           HB2      CYS  16  -3.132  -7.265   2.306
  109    HB3  CYS  16           HB1      CYS  16  -4.459  -7.824   3.321
  110    H    THR  17           H        THR  17  -1.927  -5.027   3.083
  111    HA   THR  17           HA       THR  17  -1.557  -5.423   5.920
  112    HB   THR  17           HB       THR  17   0.838  -4.791   5.310
  113    HG1  THR  17           HG1      THR  17   1.279  -4.949   3.021
  114   HG21  THR  17          HG21      THR  17   0.132  -7.143   5.555
  115   HG22  THR  17          HG22      THR  17   1.309  -6.977   4.252
  116   HG23  THR  17          HG23      THR  17  -0.404  -7.155   3.875
  117    H    THR  18           H        THR  18  -0.103  -2.949   3.944
  118    HA   THR  18           HA       THR  18  -1.665  -0.810   4.857
  119    HB   THR  18           HB       THR  18  -0.316  -1.193   6.909
  120    HG1  THR  18           HG1      THR  18   0.013   0.864   7.206
  121   HG21  THR  18          HG21      THR  18   1.670  -2.187   5.923
  122   HG22  THR  18          HG22      THR  18   2.117  -0.776   6.883
  123   HG23  THR  18          HG23      THR  18   2.057  -0.665   5.125
  124    H    CYS  19           H        CYS  19  -0.429   1.244   4.092
  125    HA   CYS  19           HA       CYS  19   0.570   0.606   1.389
  126    HB2  CYS  19           HB2      CYS  19  -1.570   1.640   1.383
  127    HB3  CYS  19           HB1      CYS  19  -1.031   2.954   2.440
  128    H    ILE  20           H        ILE  20   2.641   0.955   1.272
  129    HA   ILE  20           HA       ILE  20   4.099   2.588   3.108
  130    HB   ILE  20           HB       ILE  20   5.025   1.471   0.439
  131   HG12  ILE  20          HG12      ILE  20   5.028   0.200   3.185
  132   HG13  ILE  20          HG11      ILE  20   4.183  -0.347   1.766
  133   HG21  ILE  20          HG21      ILE  20   6.579   2.329   2.882
  134   HG22  ILE  20          HG22      ILE  20   6.482   3.197   1.349
  135   HG23  ILE  20          HG23      ILE  20   7.270   1.623   1.422
  136   HD11  ILE  20          HD11      ILE  20   7.183  -0.278   2.000
  137   HD12  ILE  20          HD12      ILE  20   6.247  -0.910   0.643
  138   HD13  ILE  20          HD13      ILE  20   6.175  -1.706   2.216
  139    H    SER  21           H        SER  21   3.553   4.668   2.992
  140    HA   SER  21           HA       SER  21   2.475   6.127   0.977
  141    HB2  SER  21           HB2      SER  21   4.316   7.142   3.124
  142    HB3  SER  21           HB1      SER  21   3.047   8.045   2.289
  143    HG   SER  21           HG       SER  21   1.890   7.375   3.904
  144    H    TYR  22           H        TYR  22   5.874   5.565   1.542
  145    HA   TYR  22           HA       TYR  22   7.088   7.517  -0.018
  146    HB2  TYR  22           HB2      TYR  22   8.187   5.914   1.548
  147    HB3  TYR  22           HB1      TYR  22   7.973   4.671   0.349
  148    HD1  TYR  22           HD1      TYR  22   9.676   7.931   0.889
  149    HD2  TYR  22           HD2      TYR  22   9.534   4.334  -1.374
  150    HE1  TYR  22           HE1      TYR  22  11.816   8.504  -0.142
  151    HE2  TYR  22           HE2      TYR  22  11.686   4.898  -2.414
  152    HH   TYR  22           HH       TYR  22  13.705   7.324  -1.246
  153    H    THR  23           H        THR  23   6.327   4.213  -0.909
  154    HA   THR  23           HA       THR  23   6.796   4.859  -3.740
  155    HB   THR  23           HB       THR  23   6.277   2.096  -2.681
  156    HG1  THR  23           HG1      THR  23   8.797   2.333  -2.596
  157   HG21  THR  23          HG21      THR  23   8.123   3.205  -4.819
  158   HG22  THR  23          HG22      THR  23   6.558   2.458  -5.119
  159   HG23  THR  23          HG23      THR  23   7.878   1.497  -4.449
  160    H    LYS  24           H        LYS  24   4.191   4.595  -1.622
  161    HA   LYS  24           HA       LYS  24   2.001   4.214  -1.692
  162    HB2  LYS  24           HB2      LYS  24   2.157   4.786  -4.649
  163    HB3  LYS  24           HB1      LYS  24   0.749   4.785  -3.639
  164    HG2  LYS  24           HG2      LYS  24   3.012   6.711  -3.220
  165    HG3  LYS  24           HG1      LYS  24   1.531   7.088  -4.108
  166    HD2  LYS  24           HD2      LYS  24   0.212   6.594  -2.090
  167    HD3  LYS  24           HD1      LYS  24   1.698   6.228  -1.213
  168    HE2  LYS  24           HE2      LYS  24   0.898   8.468  -0.711
  169    HE3  LYS  24           HE1      LYS  24   2.457   8.520  -1.525
  170    HZ1  LYS  24           HZ1      LYS  24   0.926  10.169  -2.424
  171    HZ2  LYS  24           HZ2      LYS  24  -0.186   8.964  -2.789
  172    HZ3  LYS  24           HZ3      LYS  24   1.292   9.015  -3.593
  173    H    ARG  25           H        ARG  25   3.475   2.027  -1.692
  174    HA   ARG  25           HA       ARG  25   1.853   0.261  -3.332
  175    HB2  ARG  25           HB2      ARG  25   4.767  -0.188  -2.689
  176    HB3  ARG  25           HB1      ARG  25   3.733  -1.331  -3.504
  177    HG2  ARG  25           HG2      ARG  25   4.610   1.352  -4.563
  178    HG3  ARG  25           HG1      ARG  25   5.130  -0.234  -5.132
  179    HD2  ARG  25           HD2      ARG  25   2.666  -0.681  -5.679
  180    HD3  ARG  25           HD1      ARG  25   2.426   1.002  -5.281
  181    HE   ARG  25           HE       ARG  25   3.958   1.587  -7.068
  182   HH11  ARG  25          HH11      ARG  25   2.538  -1.652  -7.219
  183   HH12  ARG  25          HH12      ARG  25   2.445  -1.680  -8.913
  184   HH21  ARG  25          HH21      ARG  25   3.851   1.541  -9.390
  185   HH22  ARG  25          HH22      ARG  25   3.197   0.182 -10.187
  186    H    CYS  26           H        CYS  26   1.728  -1.895  -2.416
  187    HA   CYS  26           HA       CYS  26   1.040  -1.584   0.343
  188    HB2  CYS  26           HB2      CYS  26   0.718  -3.920  -1.518
  189    HB3  CYS  26           HB1      CYS  26   0.006  -3.791   0.095
  190    H    ARG  27           H        ARG  27   1.975  -2.372   2.014
  191    HA   ARG  27           HA       ARG  27   4.680  -3.130   1.974
  192    HB2  ARG  27           HB2      ARG  27   3.392  -2.018   3.862
  193    HB3  ARG  27           HB1      ARG  27   2.710  -3.580   4.174
  194    HG2  ARG  27           HG2      ARG  27   4.872  -4.566   4.598
  195    HG3  ARG  27           HG1      ARG  27   5.651  -3.022   4.265
  196    HD2  ARG  27           HD2      ARG  27   4.730  -2.042   6.188
  197    HD3  ARG  27           HD1      ARG  27   3.610  -3.381   6.433
  198    HE   ARG  27           HE       ARG  27   6.300  -4.244   6.410
  199   HH11  ARG  27          HH11      ARG  27   4.168  -2.421   8.491
  200   HH12  ARG  27          HH12      ARG  27   4.593  -3.175   9.949
  201   HH21  ARG  27          HH21      ARG  27   6.970  -5.334   8.392
  202   HH22  ARG  27          HH22      ARG  27   6.223  -4.954   9.876
  203    H    LYS  28           H        LYS  28   5.649  -5.091   2.536
  204    HA   LYS  28           HA       LYS  28   4.351  -7.515   1.664
  205    HB2  LYS  28           HB2      LYS  28   6.932  -7.242   3.164
  206    HB3  LYS  28           HB1      LYS  28   6.431  -8.547   2.131
  207    HG2  LYS  28           HG2      LYS  28   6.565  -7.141   0.159
  208    HG3  LYS  28           HG1      LYS  28   7.023  -5.764   1.157
  209    HD2  LYS  28           HD2      LYS  28   8.602  -8.321   0.870
  210    HD3  LYS  28           HD1      LYS  28   8.956  -6.811   0.035
  211    HE2  LYS  28           HE2      LYS  28   9.278  -5.713   2.235
  212    HE3  LYS  28           HE1      LYS  28   8.994  -7.266   3.017
  213    HZ1  LYS  28           HZ1      LYS  28  11.234  -6.638   1.170
  214    HZ2  LYS  28           HZ2      LYS  28  10.894  -8.149   1.794
  215    HZ3  LYS  28           HZ3      LYS  28  11.331  -6.902   2.838
  216    H    TYR  29           H        TYR  29   4.708  -9.393   3.158
  217    HA   TYR  29           HA       TYR  29   3.299  -8.887   5.622
  218    HB2  TYR  29           HB2      TYR  29   4.480 -11.407   4.450
  219    HB3  TYR  29           HB1      TYR  29   3.532 -11.355   5.921
  220    HD1  TYR  29           HD1      TYR  29   1.127 -10.113   5.524
  221    HD2  TYR  29           HD2      TYR  29   3.423 -12.076   2.536
  222    HE1  TYR  29           HE1      TYR  29  -0.903 -10.439   4.188
  223    HE2  TYR  29           HE2      TYR  29   1.401 -12.397   1.188
  224    HH   TYR  29           HH       TYR  29  -1.520 -10.834   1.774
  225    H    TYR  30           H        TYR  30   6.305 -10.502   4.760
  226    HA   TYR  30           HA       TYR  30   7.557  -9.445   7.132
  227    HB2  TYR  30           HB2      TYR  30   7.893 -12.171   5.871
  228    HB3  TYR  30           HB1      TYR  30   9.016 -11.518   7.051
  229    HD1  TYR  30           HD1      TYR  30   5.557 -12.704   6.537
  230    HD2  TYR  30           HD2      TYR  30   8.507 -11.562   9.375
  231    HE1  TYR  30           HE1      TYR  30   4.185 -13.631   8.338
  232    HE2  TYR  30           HE2      TYR  30   7.137 -12.490  11.179
  233    HH   TYR  30           HH       TYR  30   4.496 -14.505  10.562
  Start of MODEL   15
    1    H1   CYS   1           HT1      CYS   1  -9.431  -6.525  -0.076
    2    H2   CYS   1           HT2      CYS   1  -8.271  -7.587  -0.667
    3    H3   CYS   1           HT3      CYS   1  -9.101  -6.605  -1.740
    4    HA   CYS   1           HA       CYS   1  -8.065  -4.640  -0.673
    5    HB2  CYS   1           HB2      CYS   1  -6.267  -5.014   0.858
    6    HB3  CYS   1           HB1      CYS   1  -7.690  -5.825   1.491
    7    H    LYS   2           H        LYS   2  -5.695  -4.184  -1.053
    8    HA   LYS   2           HA       LYS   2  -4.881  -5.477  -3.514
    9    HB2  LYS   2           HB2      LYS   2  -3.665  -3.189  -1.997
   10    HB3  LYS   2           HB1      LYS   2  -3.119  -3.757  -3.555
   11    HG2  LYS   2           HG2      LYS   2  -5.779  -2.470  -2.945
   12    HG3  LYS   2           HG1      LYS   2  -4.450  -1.774  -3.867
   13    HD2  LYS   2           HD2      LYS   2  -4.713  -3.637  -5.518
   14    HD3  LYS   2           HD1      LYS   2  -6.149  -4.146  -4.628
   15    HE2  LYS   2           HE2      LYS   2  -5.733  -1.491  -5.988
   16    HE3  LYS   2           HE1      LYS   2  -6.767  -2.791  -6.552
   17    HZ1  LYS   2           HZ1      LYS   2  -7.146  -1.205  -4.054
   18    HZ2  LYS   2           HZ2      LYS   2  -8.132  -2.496  -4.556
   19    HZ3  LYS   2           HZ3      LYS   2  -8.030  -1.098  -5.489
   20    HA   PRO   3           HA       PRO   3  -1.885  -8.006  -1.396
   21    HB2  PRO   3           HB2      PRO   3  -0.557  -8.950  -3.531
   22    HB3  PRO   3           HB1      PRO   3  -2.227  -9.435  -3.210
   23    HG2  PRO   3           HG2      PRO   3  -1.188  -7.381  -5.122
   24    HG3  PRO   3           HG1      PRO   3  -2.438  -8.610  -5.383
   25    HD2  PRO   3           HD2      PRO   3  -2.999  -6.005  -4.798
   26    HD3  PRO   3           HD1      PRO   3  -4.065  -7.357  -4.358
   27    HA   HYP   4           HA       HYP   4   1.966  -5.833  -0.786
   28    HB2  HYP   4           HB1      HYP   4   3.244  -7.461   0.111
   29    HB3  HYP   4           HB2      HYP   4   3.755  -7.919  -1.513
   30    HG   HYP   4           HG       HYP   4   2.296  -9.663  -1.605
   31   HD22  HYP   4          HD11      HYP   4   0.307  -8.296   0.212
   32   HD23  HYP   4          HD12      HYP   4  -0.011  -9.270  -1.242
   33    HD1  HYP   4           HD2      HYP   4   1.589 -10.381   0.370
   34    H    GLY   5           H        GLY   5   3.073  -4.482  -1.963
   35    HA2  GLY   5           HA2      GLY   5   4.452  -3.745  -3.634
   36    HA3  GLY   5           HA1      GLY   5   4.209  -5.259  -4.465
   37    H    SER   6           H        SER   6   1.176  -4.561  -3.981
   38    HA   SER   6           HA       SER   6   0.822  -3.381  -6.536
   39    HB2  SER   6           HB2      SER   6  -0.941  -4.712  -5.909
   40    HB3  SER   6           HB1      SER   6  -1.170  -3.918  -4.310
   41    HG   SER   6           HG       SER   6  -2.169  -2.282  -5.409
   42    H    LYS   7           H        LYS   7  -0.518  -1.654  -6.660
   43    HA   LYS   7           HA       LYS   7   0.685   0.617  -5.215
   44    HB2  LYS   7           HB2      LYS   7  -0.355   2.090  -6.938
   45    HB3  LYS   7           HB1      LYS   7   0.716   0.893  -7.643
   46    HG2  LYS   7           HG2      LYS   7  -1.275  -0.478  -8.195
   47    HG3  LYS   7           HG1      LYS   7  -2.280   0.828  -7.583
   48    HD2  LYS   7           HD2      LYS   7  -1.369   2.346  -9.235
   49    HD3  LYS   7           HD1      LYS   7  -0.299   1.075  -9.829
   50    HE2  LYS   7           HE2      LYS   7  -2.279  -0.275 -10.411
   51    HE3  LYS   7           HE1      LYS   7  -3.305   1.056  -9.883
   52    HZ1  LYS   7           HZ1      LYS   7  -2.977   1.081 -12.278
   53    HZ2  LYS   7           HZ2      LYS   7  -1.319   1.174 -12.067
   54    HZ3  LYS   7           HZ3      LYS   7  -2.291   2.449 -11.576
   55    H    CYS   8           H        CYS   8  -0.621   2.050  -4.065
   56    HA   CYS   8           HA       CYS   8  -3.327   0.980  -3.586
   57    HB2  CYS   8           HB2      CYS   8  -2.915   1.633  -1.162
   58    HB3  CYS   8           HB1      CYS   8  -2.208   0.143  -1.767
   59    H    SER   9           H        SER   9  -4.632   2.460  -2.149
   60    HA   SER   9           HA       SER   9  -4.741   4.924  -3.385
   61    HB2  SER   9           HB2      SER   9  -6.472   5.267  -1.673
   62    HB3  SER   9           HB1      SER   9  -6.764   3.912  -2.774
   63    HG   SER   9           HG       SER   9  -6.072   2.513  -1.131
   64    HA   HYP  10           HA       HYP  10  -1.498   6.813  -1.100
   65    HB2  HYP  10           HB1      HYP  10  -1.374   8.683  -2.377
   66    HB3  HYP  10           HB2      HYP  10  -2.735   9.389  -1.493
   67    HG   HYP  10           HG       HYP  10  -3.681   9.109  -3.674
   68   HD22  HYP  10          HD11      HYP  10  -4.845   6.796  -3.405
   69   HD23  HYP  10          HD12      HYP  10  -4.972   7.877  -1.992
   70    HD1  HYP  10           HD2      HYP  10  -3.215   6.714  -4.300
   71    H    SER  11           H        SER  11  -1.665   6.284   0.982
   72    HA   SER  11           HA       SER  11  -1.865   6.549   3.194
   73    HB2  SER  11           HB2      SER  11  -3.150   9.223   2.576
   74    HB3  SER  11           HB1      SER  11  -2.453   8.735   4.120
   75    HG   SER  11           HG       SER  11  -0.737   9.617   3.332
   76    H    MET  12           H        MET  12  -4.381   5.875   1.259
   77    HA   MET  12           HA       MET  12  -6.474   6.156   3.267
   78    HB2  MET  12           HB2      MET  12  -6.692   4.983   0.503
   79    HB3  MET  12           HB1      MET  12  -8.015   5.458   1.549
   80    HG2  MET  12           HG2      MET  12  -6.003   7.277   0.274
   81    HG3  MET  12           HG1      MET  12  -7.674   7.075  -0.226
   82    HE1  MET  12           HE1      MET  12  -9.041   6.905   2.767
   83    HE2  MET  12           HE2      MET  12  -9.756   7.804   1.428
   84    HE3  MET  12          3HE       MET  12  -9.508   8.591   2.984
   85    H    ARG  13           H        ARG  13  -4.490   3.869   1.825
   86    HA   ARG  13           HA       ARG  13  -3.922   1.743   2.207
   87    HB2  ARG  13           HB2      ARG  13  -3.567   2.504   4.426
   88    HB3  ARG  13           HB1      ARG  13  -5.285   2.348   4.755
   89    HG2  ARG  13           HG2      ARG  13  -5.000  -0.150   4.422
   90    HG3  ARG  13           HG1      ARG  13  -3.263   0.140   4.309
   91    HD2  ARG  13           HD2      ARG  13  -3.847  -0.559   6.568
   92    HD3  ARG  13           HD1      ARG  13  -3.316   1.125   6.574
   93    HE   ARG  13           HE       ARG  13  -6.127   0.878   6.250
   94   HH11  ARG  13          HH11      ARG  13  -3.626   0.875   8.732
   95   HH12  ARG  13          HH12      ARG  13  -4.668   1.352   9.985
   96   HH21  ARG  13          HH21      ARG  13  -7.549   1.507   7.907
   97   HH22  ARG  13          HH22      ARG  13  -6.994   1.724   9.501
   98    H    ASP  14           H        ASP  14  -5.153   0.899   0.541
   99    HA   ASP  14           HA       ASP  14  -7.476  -0.615   1.436
  100    HB2  ASP  14           HB2      ASP  14  -8.053  -0.815  -0.953
  101    HB3  ASP  14           HB1      ASP  14  -8.009   0.864  -0.429
  102    H    CYS  15           H        CYS  15  -4.579  -1.044   1.650
  103    HA   CYS  15           HA       CYS  15  -4.176  -3.641   0.312
  104    HB2  CYS  15           HB2      CYS  15  -2.371  -2.296   2.304
  105    HB3  CYS  15           HB1      CYS  15  -1.926  -3.518   1.147
  106    H    CYS  16           H        CYS  16  -4.020  -5.526   1.604
  107    HA   CYS  16           HA       CYS  16  -5.414  -5.506   4.083
  108    HB2  CYS  16           HB2      CYS  16  -3.739  -7.593   2.756
  109    HB3  CYS  16           HB1      CYS  16  -4.366  -7.859   4.373
  110    H    THR  17           H        THR  17  -2.038  -5.133   3.347
  111    HA   THR  17           HA       THR  17  -1.306  -5.461   6.122
  112    HB   THR  17           HB       THR  17   0.979  -4.792   5.223
  113    HG1  THR  17           HG1      THR  17   1.106  -4.892   2.878
  114   HG21  THR  17          HG21      THR  17   0.336  -7.164   5.492
  115   HG22  THR  17          HG22      THR  17   1.346  -6.943   4.062
  116   HG23  THR  17          HG23      THR  17  -0.399  -7.139   3.886
  117    H    THR  18           H        THR  18  -0.161  -2.982   3.979
  118    HA   THR  18           HA       THR  18  -1.751  -0.923   4.911
  119    HB   THR  18           HB       THR  18  -0.296  -1.203   6.930
  120    HG1  THR  18           HG1      THR  18  -0.641   0.833   7.103
  121   HG21  THR  18          HG21      THR  18   1.779  -1.915   5.848
  122   HG22  THR  18          HG22      THR  18   2.065  -0.466   6.820
  123   HG23  THR  18          HG23      THR  18   1.929  -0.343   5.067
  124    H    CYS  19           H        CYS  19  -0.982   1.087   3.950
  125    HA   CYS  19           HA       CYS  19   0.249   0.577   1.326
  126    HB2  CYS  19           HB2      CYS  19  -2.009   1.451   1.306
  127    HB3  CYS  19           HB1      CYS  19  -1.579   2.768   2.395
  128    H    ILE  20           H        ILE  20   2.227   1.287   1.150
  129    HA   ILE  20           HA       ILE  20   3.386   2.948   3.217
  130    HB   ILE  20           HB       ILE  20   4.630   1.865   0.658
  131   HG12  ILE  20          HG12      ILE  20   4.024  -0.006   2.197
  132   HG13  ILE  20          HG11      ILE  20   5.764   0.207   2.140
  133   HG21  ILE  20          HG21      ILE  20   5.978   3.132   3.040
  134   HG22  ILE  20          HG22      ILE  20   5.799   3.847   1.440
  135   HG23  ILE  20          HG23      ILE  20   6.802   2.411   1.656
  136   HD11  ILE  20          HD11      ILE  20   3.911   1.138   4.319
  137   HD12  ILE  20          HD12      ILE  20   5.645   1.417   4.272
  138   HD13  ILE  20          HD13      ILE  20   5.023  -0.233   4.383
  139    H    SER  21           H        SER  21   2.514   4.915   3.097
  140    HA   SER  21           HA       SER  21   1.347   6.248   1.123
  141    HB2  SER  21           HB2      SER  21   2.955   7.507   3.328
  142    HB3  SER  21           HB1      SER  21   1.536   8.177   2.516
  143    HG   SER  21           HG       SER  21   0.789   7.236   4.364
  144    H    TYR  22           H        TYR  22   4.829   6.366   1.749
  145    HA   TYR  22           HA       TYR  22   5.543   8.566   0.190
  146    HB2  TYR  22           HB2      TYR  22   6.974   7.288   1.795
  147    HB3  TYR  22           HB1      TYR  22   7.113   6.036   0.592
  148    HD1  TYR  22           HD1      TYR  22   7.806   9.650   1.092
  149    HD2  TYR  22           HD2      TYR  22   8.845   6.086  -0.981
  150    HE1  TYR  22           HE1      TYR  22   9.769  10.775   0.158
  151    HE2  TYR  22           HE2      TYR  22  10.801   7.200  -1.931
  152    HH   TYR  22           HH       TYR  22  11.588   9.525  -2.403
  153    H    THR  23           H        THR  23   5.692   5.163  -0.683
  154    HA   THR  23           HA       THR  23   6.107   5.828  -3.497
  155    HB   THR  23           HB       THR  23   6.048   3.070  -2.274
  156    HG1  THR  23           HG1      THR  23   8.541   4.066  -2.453
  157   HG21  THR  23          HG21      THR  23   7.702   2.615  -4.048
  158   HG22  THR  23          HG22      THR  23   7.599   4.301  -4.562
  159   HG23  THR  23          HG23      THR  23   6.203   3.244  -4.740
  160    H    LYS  24           H        LYS  24   3.575   5.035  -1.437
  161    HA   LYS  24           HA       LYS  24   1.509   4.265  -1.528
  162    HB2  LYS  24           HB2      LYS  24   1.561   5.245  -4.370
  163    HB3  LYS  24           HB1      LYS  24   0.153   4.968  -3.386
  164    HG2  LYS  24           HG2      LYS  24   0.436   6.778  -2.042
  165    HG3  LYS  24           HG1      LYS  24   2.186   6.778  -2.228
  166    HD2  LYS  24           HD2      LYS  24   1.954   7.586  -4.449
  167    HD3  LYS  24           HD1      LYS  24   0.185   7.666  -4.291
  168    HE2  LYS  24           HE2      LYS  24   1.210   9.892  -3.916
  169    HE3  LYS  24           HE1      LYS  24   0.474   9.297  -2.430
  170    HZ1  LYS  24           HZ1      LYS  24   2.678  10.271  -2.057
  171    HZ2  LYS  24           HZ2      LYS  24   3.374   9.142  -3.077
  172    HZ3  LYS  24           HZ3      LYS  24   2.657   8.642  -1.638
  173    H    ARG  25           H        ARG  25   3.018   2.307  -1.524
  174    HA   ARG  25           HA       ARG  25   1.830   0.400  -3.390
  175    HB2  ARG  25           HB2      ARG  25   4.652   0.225  -2.321
  176    HB3  ARG  25           HB1      ARG  25   3.868  -0.942  -3.351
  177    HG2  ARG  25           HG2      ARG  25   4.677   1.852  -4.100
  178    HG3  ARG  25           HG1      ARG  25   5.388   0.348  -4.682
  179    HD2  ARG  25           HD2      ARG  25   3.048  -0.184  -5.630
  180    HD3  ARG  25           HD1      ARG  25   2.661   1.462  -5.207
  181    HE   ARG  25           HE       ARG  25   4.795   0.784  -7.087
  182   HH11  ARG  25          HH11      ARG  25   2.224   2.988  -6.005
  183   HH12  ARG  25          HH12      ARG  25   2.219   3.912  -7.425
  184   HH21  ARG  25          HH21      ARG  25   4.773   2.098  -9.084
  185   HH22  ARG  25          HH22      ARG  25   3.692   3.412  -9.185
  186    H    CYS  26           H        CYS  26   1.813  -1.802  -2.441
  187    HA   CYS  26           HA       CYS  26   0.936  -1.495   0.304
  188    HB2  CYS  26           HB2      CYS  26   0.590  -3.784  -1.629
  189    HB3  CYS  26           HB1      CYS  26  -0.061  -3.736   0.006
  190    H    ARG  27           H        ARG  27   1.887  -2.330   1.934
  191    HA   ARG  27           HA       ARG  27   4.553  -3.244   1.814
  192    HB2  ARG  27           HB2      ARG  27   3.322  -2.030   3.709
  193    HB3  ARG  27           HB1      ARG  27   2.584  -3.549   4.033
  194    HG2  ARG  27           HG2      ARG  27   4.633  -4.633   4.561
  195    HG3  ARG  27           HG1      ARG  27   5.560  -3.202   4.115
  196    HD2  ARG  27           HD2      ARG  27   4.679  -1.974   5.909
  197    HD3  ARG  27           HD1      ARG  27   3.473  -3.205   6.276
  198    HE   ARG  27           HE       ARG  27   5.901  -4.466   6.417
  199   HH11  ARG  27          HH11      ARG  27   4.526  -1.714   8.177
  200   HH12  ARG  27          HH12      ARG  27   5.093  -2.221   9.685
  201   HH21  ARG  27          HH21      ARG  27   6.684  -5.145   8.482
  202   HH22  ARG  27          HH22      ARG  27   6.384  -4.214   9.879
  203    H    LYS  28           H        LYS  28   5.307  -5.375   2.471
  204    HA   LYS  28           HA       LYS  28   3.374  -7.490   1.975
  205    HB2  LYS  28           HB2      LYS  28   5.383  -8.995   2.393
  206    HB3  LYS  28           HB1      LYS  28   5.277  -8.170   0.866
  207    HG2  LYS  28           HG2      LYS  28   6.931  -6.522   1.761
  208    HG3  LYS  28           HG1      LYS  28   6.978  -7.446   3.268
  209    HD2  LYS  28           HD2      LYS  28   7.812  -9.385   2.079
  210    HD3  LYS  28           HD1      LYS  28   7.676  -8.536   0.540
  211    HE2  LYS  28           HE2      LYS  28   9.991  -8.604   1.381
  212    HE3  LYS  28           HE1      LYS  28   9.374  -6.959   1.239
  213    HZ1  LYS  28           HZ1      LYS  28   9.372  -8.486   3.781
  214    HZ2  LYS  28           HZ2      LYS  28   9.114  -6.828   3.576
  215    HZ3  LYS  28           HZ3      LYS  28  10.644  -7.473   3.332
  216    H    TYR  29           H        TYR  29   3.675  -9.439   3.253
  217    HA   TYR  29           HA       TYR  29   2.751  -8.822   5.911
  218    HB2  TYR  29           HB2      TYR  29   3.201 -11.366   4.405
  219    HB3  TYR  29           HB1      TYR  29   2.865 -11.403   6.117
  220    HD1  TYR  29           HD1      TYR  29   1.496 -10.774   2.762
  221    HD2  TYR  29           HD2      TYR  29   0.612 -10.790   6.931
  222    HE1  TYR  29           HE1      TYR  29  -0.905 -10.722   2.251
  223    HE2  TYR  29           HE2      TYR  29  -1.778 -10.728   6.437
  224    HH   TYR  29           HH       TYR  29  -3.266 -10.136   4.694
  225    H    TYR  30           H        TYR  30   5.468 -10.507   4.561
  226    HA   TYR  30           HA       TYR  30   6.809 -10.302   7.107
  227    HB2  TYR  30           HB2      TYR  30   7.494 -11.981   4.680
  228    HB3  TYR  30           HB1      TYR  30   8.399 -11.980   6.191
  229    HD1  TYR  30           HD1      TYR  30   5.363 -13.098   4.500
  230    HD2  TYR  30           HD2      TYR  30   7.442 -12.971   8.196
  231    HE1  TYR  30           HE1      TYR  30   3.850 -14.804   5.389
  232    HE2  TYR  30           HE2      TYR  30   5.945 -14.680   9.108
  233    HH   TYR  30           HH       TYR  30   3.679 -15.466   8.690
  Start of MODEL   16
    1    H1   CYS   1           HT1      CYS   1  -9.469  -6.178  -1.537
    2    H2   CYS   1           HT2      CYS   1  -9.668  -6.465   0.122
    3    H3   CYS   1           HT3      CYS   1  -8.669  -7.467  -0.809
    4    HA   CYS   1           HA       CYS   1  -8.186  -4.609  -0.360
    5    HB2  CYS   1           HB2      CYS   1  -6.262  -5.443   0.990
    6    HB3  CYS   1           HB1      CYS   1  -7.826  -5.692   1.732
    7    H    LYS   2           H        LYS   2  -5.927  -4.100  -0.901
    8    HA   LYS   2           HA       LYS   2  -5.268  -5.280  -3.462
    9    HB2  LYS   2           HB2      LYS   2  -3.881  -3.001  -2.026
   10    HB3  LYS   2           HB1      LYS   2  -3.641  -3.489  -3.689
   11    HG2  LYS   2           HG2      LYS   2  -6.169  -2.371  -2.530
   12    HG3  LYS   2           HG1      LYS   2  -5.019  -1.517  -3.552
   13    HD2  LYS   2           HD2      LYS   2  -5.487  -3.100  -5.370
   14    HD3  LYS   2           HD1      LYS   2  -6.646  -3.935  -4.335
   15    HE2  LYS   2           HE2      LYS   2  -7.969  -1.896  -4.165
   16    HE3  LYS   2           HE1      LYS   2  -6.814  -1.060  -5.199
   17    HZ1  LYS   2           HZ1      LYS   2  -8.453  -3.401  -5.984
   18    HZ2  LYS   2           HZ2      LYS   2  -7.362  -2.594  -6.974
   19    HZ3  LYS   2           HZ3      LYS   2  -8.743  -1.803  -6.432
   20    HA   PRO   3           HA       PRO   3  -2.335  -8.114  -1.847
   21    HB2  PRO   3           HB2      PRO   3  -0.910  -8.560  -4.130
   22    HB3  PRO   3           HB1      PRO   3  -2.531  -9.218  -3.869
   23    HG2  PRO   3           HG2      PRO   3  -1.703  -6.766  -5.373
   24    HG3  PRO   3           HG1      PRO   3  -2.848  -8.033  -5.856
   25    HD2  PRO   3           HD2      PRO   3  -3.692  -5.698  -4.868
   26    HD3  PRO   3           HD1      PRO   3  -4.526  -7.215  -4.471
   27    HA   HYP   4           HA       HYP   4   1.366  -5.890  -0.719
   28    HB2  HYP   4           HB1      HYP   4   2.541  -7.496   0.397
   29    HB3  HYP   4           HB2      HYP   4   3.104  -8.165  -1.143
   30    HG   HYP   4           HG       HYP   4   1.811  -9.952  -0.474
   31   HD22  HYP   4          HD11      HYP   4  -0.691  -9.251  -1.174
   32   HD23  HYP   4          HD12      HYP   4   0.586  -9.328  -2.410
   33    HD1  HYP   4           HD2      HYP   4   0.479  -9.887   1.040
   34    H    GLY   5           H        GLY   5   2.417  -4.510  -1.944
   35    HA2  GLY   5           HA2      GLY   5   4.048  -3.969  -3.529
   36    HA3  GLY   5           HA1      GLY   5   3.673  -5.440  -4.403
   37    H    SER   6           H        SER   6   0.712  -4.599  -3.885
   38    HA   SER   6           HA       SER   6   0.342  -3.314  -6.374
   39    HB2  SER   6           HB2      SER   6  -1.447  -4.572  -5.735
   40    HB3  SER   6           HB1      SER   6  -1.553  -3.861  -4.081
   41    HG   SER   6           HG       SER   6  -2.463  -2.061  -5.090
   42    H    LYS   7           H        LYS   7  -0.950  -1.524  -6.401
   43    HA   LYS   7           HA       LYS   7   0.512   0.664  -5.069
   44    HB2  LYS   7           HB2      LYS   7  -1.598   0.896  -7.236
   45    HB3  LYS   7           HB1      LYS   7  -0.613   2.216  -6.625
   46    HG2  LYS   7           HG2      LYS   7   1.401   0.984  -7.457
   47    HG3  LYS   7           HG1      LYS   7   0.307  -0.163  -8.227
   48    HD2  LYS   7           HD2      LYS   7   0.406   2.808  -8.754
   49    HD3  LYS   7           HD1      LYS   7   1.103   1.564  -9.784
   50    HE2  LYS   7           HE2      LYS   7  -1.098   0.648 -10.215
   51    HE3  LYS   7           HE1      LYS   7  -1.829   1.812  -9.109
   52    HZ1  LYS   7           HZ1      LYS   7  -1.076   3.592 -10.546
   53    HZ2  LYS   7           HZ2      LYS   7  -2.053   2.521 -11.397
   54    HZ3  LYS   7           HZ3      LYS   7  -0.382   2.481 -11.611
   55    H    CYS   8           H        CYS   8  -0.573   2.190  -3.787
   56    HA   CYS   8           HA       CYS   8  -3.224   1.243  -2.959
   57    HB2  CYS   8           HB2      CYS   8  -2.688   2.312  -0.729
   58    HB3  CYS   8           HB1      CYS   8  -1.943   0.775  -1.121
   59    H    SER   9           H        SER   9  -4.646   2.692  -1.998
   60    HA   SER   9           HA       SER   9  -5.047   4.985  -3.558
   61    HB2  SER   9           HB2      SER   9  -6.963   5.177  -1.984
   62    HB3  SER   9           HB1      SER   9  -6.897   3.647  -2.876
   63    HG   SER   9           HG       SER   9  -6.124   2.665  -1.048
   64    HA   HYP  10           HA       HYP  10  -2.793   7.955  -1.250
   65    HB2  HYP  10           HB1      HYP  10  -3.311   9.739  -2.561
   66    HB3  HYP  10           HB2      HYP  10  -4.698  10.061  -1.517
   67    HG   HYP  10           HG       HYP  10  -5.874   9.539  -3.481
   68   HD22  HYP  10          HD11      HYP  10  -6.032   6.879  -3.455
   69   HD23  HYP  10          HD12      HYP  10  -6.477   7.737  -1.965
   70    HD1  HYP  10           HD2      HYP  10  -4.827   7.650  -4.683
   71    H    SER  11           H        SER  11  -2.814   7.240   0.812
   72    HA   SER  11           HA       SER  11  -3.068   7.317   3.029
   73    HB2  SER  11           HB2      SER  11  -4.868   9.692   2.519
   74    HB3  SER  11           HB1      SER  11  -4.089   9.283   4.053
   75    HG   SER  11           HG       SER  11  -2.441  10.356   3.351
   76    H    MET  12           H        MET  12  -5.318   6.132   1.139
   77    HA   MET  12           HA       MET  12  -7.428   5.955   3.145
   78    HB2  MET  12           HB2      MET  12  -7.367   4.923   0.310
   79    HB3  MET  12           HB1      MET  12  -8.733   4.746   1.395
   80    HG2  MET  12           HG2      MET  12  -9.013   7.137   1.489
   81    HG3  MET  12           HG1      MET  12  -7.574   7.367   0.494
   82    HE1  MET  12           HE1      MET  12  -9.007   8.924  -1.115
   83    HE2  MET  12           HE2      MET  12 -10.429   8.653  -0.109
   84    HE3  MET  12          3HE       MET  12 -10.526   8.425  -1.856
   85    H    ARG  13           H        ARG  13  -4.970   4.137   1.785
   86    HA   ARG  13           HA       ARG  13  -4.023   2.129   2.195
   87    HB2  ARG  13           HB2      ARG  13  -3.783   3.102   4.362
   88    HB3  ARG  13           HB1      ARG  13  -5.425   2.638   4.763
   89    HG2  ARG  13           HG2      ARG  13  -4.678   0.262   4.617
   90    HG3  ARG  13           HG1      ARG  13  -3.020   0.841   4.393
   91    HD2  ARG  13           HD2      ARG  13  -4.810   1.353   6.752
   92    HD3  ARG  13           HD1      ARG  13  -3.433   0.251   6.726
   93    HE   ARG  13           HE       ARG  13  -2.278   2.545   6.061
   94   HH11  ARG  13          HH11      ARG  13  -4.648   1.896   8.598
   95   HH12  ARG  13          HH12      ARG  13  -4.030   3.054   9.679
   96   HH21  ARG  13          HH21      ARG  13  -1.408   4.150   7.532
   97   HH22  ARG  13          HH22      ARG  13  -2.125   4.362   9.057
   98    H    ASP  14           H        ASP  14  -5.240   1.094   0.571
   99    HA   ASP  14           HA       ASP  14  -7.542  -0.498   1.402
  100    HB2  ASP  14           HB2      ASP  14  -7.957  -0.659  -1.046
  101    HB3  ASP  14           HB1      ASP  14  -8.040   0.982  -0.420
  102    H    CYS  15           H        CYS  15  -4.599  -1.051   1.675
  103    HA   CYS  15           HA       CYS  15  -4.143  -3.325  -0.065
  104    HB2  CYS  15           HB2      CYS  15  -2.453  -2.351   2.240
  105    HB3  CYS  15           HB1      CYS  15  -1.999  -3.495   1.013
  106    H    CYS  16           H        CYS  16  -3.362  -5.369   0.935
  107    HA   CYS  16           HA       CYS  16  -5.166  -6.272   2.957
  108    HB2  CYS  16           HB2      CYS  16  -2.774  -7.608   1.698
  109    HB3  CYS  16           HB1      CYS  16  -3.968  -8.413   2.706
  110    H    THR  17           H        THR  17  -1.806  -5.310   2.793
  111    HA   THR  17           HA       THR  17  -1.422  -5.902   5.606
  112    HB   THR  17           HB       THR  17   0.939  -5.107   5.071
  113    HG1  THR  17           HG1      THR  17   1.362  -5.153   2.720
  114   HG21  THR  17          HG21      THR  17  -0.153  -7.425   3.443
  115   HG22  THR  17          HG22      THR  17   0.359  -7.509   5.129
  116   HG23  THR  17          HG23      THR  17   1.543  -7.180   3.862
  117    H    THR  18           H        THR  18  -0.089  -3.244   3.794
  118    HA   THR  18           HA       THR  18  -1.775  -1.230   4.760
  119    HB   THR  18           HB       THR  18  -0.474  -1.662   6.843
  120    HG1  THR  18           HG1      THR  18  -0.472   0.426   7.226
  121   HG21  THR  18          HG21      THR  18   1.911  -1.054   6.938
  122   HG22  THR  18          HG22      THR  18   1.912  -0.818   5.191
  123   HG23  THR  18          HG23      THR  18   1.632  -2.425   5.866
  124    H    CYS  19           H        CYS  19  -0.605   0.911   4.215
  125    HA   CYS  19           HA       CYS  19   0.394   0.551   1.466
  126    HB2  CYS  19           HB2      CYS  19  -1.719   1.560   1.415
  127    HB3  CYS  19           HB1      CYS  19  -1.393   2.597   2.792
  128    H    ILE  20           H        ILE  20   2.468   1.002   1.293
  129    HA   ILE  20           HA       ILE  20   3.958   2.441   3.247
  130    HB   ILE  20           HB       ILE  20   4.781   1.758   0.406
  131   HG12  ILE  20          HG12      ILE  20   4.986   0.061   2.913
  132   HG13  ILE  20          HG11      ILE  20   4.027  -0.271   1.496
  133   HG21  ILE  20          HG21      ILE  20   6.241   3.362   1.527
  134   HG22  ILE  20          HG22      ILE  20   7.066   1.818   1.332
  135   HG23  ILE  20          HG23      ILE  20   6.414   2.274   2.905
  136   HD11  ILE  20          HD11      ILE  20   6.065  -1.637   1.545
  137   HD12  ILE  20          HD12      ILE  20   7.034  -0.168   1.492
  138   HD13  ILE  20          HD13      ILE  20   5.988  -0.585   0.135
  139    H    SER  21           H        SER  21   3.608   4.568   3.418
  140    HA   SER  21           HA       SER  21   2.404   6.097   1.432
  141    HB2  SER  21           HB2      SER  21   3.086   7.974   3.093
  142    HB3  SER  21           HB1      SER  21   1.933   6.737   3.595
  143    HG   SER  21           HG       SER  21   4.552   7.169   4.404
  144    H    TYR  22           H        TYR  22   5.577   5.157   1.594
  145    HA   TYR  22           HA       TYR  22   6.753   7.558   0.453
  146    HB2  TYR  22           HB2      TYR  22   7.925   5.897   2.005
  147    HB3  TYR  22           HB1      TYR  22   7.976   4.819   0.640
  148    HD1  TYR  22           HD1      TYR  22   9.441   7.825   2.098
  149    HD2  TYR  22           HD2      TYR  22   9.417   5.302  -1.333
  150    HE1  TYR  22           HE1      TYR  22  11.546   8.826   1.343
  151    HE2  TYR  22           HE2      TYR  22  11.505   6.294  -2.093
  152    HH   TYR  22           HH       TYR  22  12.797   8.364  -1.790
  153    H    THR  23           H        THR  23   6.332   4.162  -0.580
  154    HA   THR  23           HA       THR  23   6.895   4.866  -3.339
  155    HB   THR  23           HB       THR  23   6.746   2.331  -3.626
  156    HG1  THR  23           HG1      THR  23   6.805   1.136  -1.732
  157   HG21  THR  23          HG21      THR  23   8.766   3.408  -1.647
  158   HG22  THR  23          HG22      THR  23   8.891   3.542  -3.402
  159   HG23  THR  23          HG23      THR  23   8.952   1.957  -2.633
  160    H    LYS  24           H        LYS  24   4.179   4.587  -1.416
  161    HA   LYS  24           HA       LYS  24   1.959   4.486  -1.715
  162    HB2  LYS  24           HB2      LYS  24   2.263   4.690  -4.696
  163    HB3  LYS  24           HB1      LYS  24   0.974   5.238  -3.687
  164    HG2  LYS  24           HG2      LYS  24   3.699   6.544  -3.676
  165    HG3  LYS  24           HG1      LYS  24   2.306   7.141  -4.572
  166    HD2  LYS  24           HD2      LYS  24   2.371   6.777  -1.570
  167    HD3  LYS  24           HD1      LYS  24   2.720   8.302  -2.384
  168    HE2  LYS  24           HE2      LYS  24   0.475   8.266  -3.373
  169    HE3  LYS  24           HE1      LYS  24   0.121   6.766  -2.512
  170    HZ1  LYS  24           HZ1      LYS  24   0.382   7.927  -0.425
  171    HZ2  LYS  24           HZ2      LYS  24  -0.745   8.740  -1.355
  172    HZ3  LYS  24           HZ3      LYS  24   0.808   9.347  -1.213
  173    H    ARG  25           H        ARG  25   3.487   2.137  -1.665
  174    HA   ARG  25           HA       ARG  25   1.827   0.384  -3.333
  175    HB2  ARG  25           HB2      ARG  25   4.659  -0.122  -2.449
  176    HB3  ARG  25           HB1      ARG  25   3.661  -1.266  -3.323
  177    HG2  ARG  25           HG2      ARG  25   4.827   1.323  -4.319
  178    HG3  ARG  25           HG1      ARG  25   5.181  -0.315  -4.865
  179    HD2  ARG  25           HD2      ARG  25   2.708  -0.434  -5.530
  180    HD3  ARG  25           HD1      ARG  25   2.688   1.292  -5.257
  181    HE   ARG  25           HE       ARG  25   4.211  -0.099  -7.314
  182   HH11  ARG  25          HH11      ARG  25   3.286   3.001  -5.915
  183   HH12  ARG  25          HH12      ARG  25   3.369   3.865  -7.367
  184   HH21  ARG  25          HH21      ARG  25   4.294   1.036  -9.309
  185   HH22  ARG  25          HH22      ARG  25   3.943   2.708  -9.399
  186    H    CYS  26           H        CYS  26   1.653  -1.820  -2.378
  187    HA   CYS  26           HA       CYS  26   0.964  -1.521   0.393
  188    HB2  CYS  26           HB2      CYS  26   0.595  -3.829  -1.515
  189    HB3  CYS  26           HB1      CYS  26  -0.096  -3.714   0.102
  190    H    ARG  27           H        ARG  27   1.939  -2.467   1.990
  191    HA   ARG  27           HA       ARG  27   4.679  -3.116   1.835
  192    HB2  ARG  27           HB2      ARG  27   3.364  -2.222   3.839
  193    HB3  ARG  27           HB1      ARG  27   2.774  -3.839   4.033
  194    HG2  ARG  27           HG2      ARG  27   5.045  -4.717   4.247
  195    HG3  ARG  27           HG1      ARG  27   5.664  -3.073   4.164
  196    HD2  ARG  27           HD2      ARG  27   4.641  -2.510   6.227
  197    HD3  ARG  27           HD1      ARG  27   3.731  -4.030   6.273
  198    HE   ARG  27           HE       ARG  27   6.477  -4.534   6.030
  199   HH11  ARG  27          HH11      ARG  27   4.153  -3.538   8.557
  200   HH12  ARG  27          HH12      ARG  27   5.058  -4.228   9.812
  201   HH21  ARG  27          HH21      ARG  27   7.617  -5.548   7.743
  202   HH22  ARG  27          HH22      ARG  27   7.077  -5.396   9.348
  203    H    LYS  28           H        LYS  28   5.743  -5.133   2.108
  204    HA   LYS  28           HA       LYS  28   4.345  -7.582   1.463
  205    HB2  LYS  28           HB2      LYS  28   7.125  -7.063   2.520
  206    HB3  LYS  28           HB1      LYS  28   6.490  -8.633   2.142
  207    HG2  LYS  28           HG2      LYS  28   6.870  -6.422   0.134
  208    HG3  LYS  28           HG1      LYS  28   7.910  -7.833   0.351
  209    HD2  LYS  28           HD2      LYS  28   5.891  -9.272  -0.112
  210    HD3  LYS  28           HD1      LYS  28   5.034  -7.794  -0.541
  211    HE2  LYS  28           HE2      LYS  28   5.856  -8.864  -2.540
  212    HE3  LYS  28           HE1      LYS  28   6.712  -7.343  -2.281
  213    HZ1  LYS  28           HZ1      LYS  28   8.272  -9.121  -2.895
  214    HZ2  LYS  28           HZ2      LYS  28   7.722 -10.049  -1.617
  215    HZ3  LYS  28           HZ3      LYS  28   8.555  -8.641  -1.306
  216    H    TYR  29           H        TYR  29   5.132  -9.360   3.039
  217    HA   TYR  29           HA       TYR  29   3.312  -9.069   5.213
  218    HB2  TYR  29           HB2      TYR  29   5.194 -11.284   4.485
  219    HB3  TYR  29           HB1      TYR  29   4.025 -11.390   5.788
  220    HD1  TYR  29           HD1      TYR  29   1.536 -10.926   5.102
  221    HD2  TYR  29           HD2      TYR  29   4.594 -11.896   2.309
  222    HE1  TYR  29           HE1      TYR  29  -0.165 -11.541   3.465
  223    HE2  TYR  29           HE2      TYR  29   2.907 -12.513   0.664
  224    HH   TYR  29           HH       TYR  29   0.528 -13.268   0.674
  225    H    TYR  30           H        TYR  30   6.727  -9.855   5.186
  226    HA   TYR  30           HA       TYR  30   6.920  -8.558   7.761
  227    HB2  TYR  30           HB2      TYR  30   8.679 -10.713   6.573
  228    HB3  TYR  30           HB1      TYR  30   9.037  -9.879   8.081
  229    HD1  TYR  30           HD1      TYR  30   7.035 -12.439   6.469
  230    HD2  TYR  30           HD2      TYR  30   7.574 -10.202  10.038
  231    HE1  TYR  30           HE1      TYR  30   5.614 -14.036   7.678
  232    HE2  TYR  30           HE2      TYR  30   6.178 -11.773  11.258
  233    HH   TYR  30           HH       TYR  30   5.234 -14.786   9.983
  Start of MODEL   17
    1    H1   CYS   1           HT1      CYS   1  -9.204  -7.111  -1.968
    2    H2   CYS   1           HT2      CYS   1  -9.578  -7.138  -0.306
    3    H3   CYS   1           HT3      CYS   1  -8.348  -8.139  -0.945
    4    HA   CYS   1           HA       CYS   1  -8.286  -5.212  -0.946
    5    HB2  CYS   1           HB2      CYS   1  -6.410  -5.577   0.685
    6    HB3  CYS   1           HB1      CYS   1  -8.011  -5.904   1.319
    7    H    LYS   2           H        LYS   2  -6.052  -4.496  -1.349
    8    HA   LYS   2           HA       LYS   2  -5.055  -6.042  -3.555
    9    HB2  LYS   2           HB2      LYS   2  -4.509  -3.239  -2.678
   10    HB3  LYS   2           HB1      LYS   2  -3.503  -3.999  -3.897
   11    HG2  LYS   2           HG2      LYS   2  -5.543  -4.459  -5.252
   12    HG3  LYS   2           HG1      LYS   2  -6.501  -3.606  -4.054
   13    HD2  LYS   2           HD2      LYS   2  -4.227  -2.271  -5.514
   14    HD3  LYS   2           HD1      LYS   2  -5.832  -2.372  -6.214
   15    HE2  LYS   2           HE2      LYS   2  -5.600  -0.236  -5.168
   16    HE3  LYS   2           HE1      LYS   2  -6.711  -1.195  -4.198
   17    HZ1  LYS   2           HZ1      LYS   2  -4.865  -1.638  -2.676
   18    HZ2  LYS   2           HZ2      LYS   2  -5.266  -0.047  -2.777
   19    HZ3  LYS   2           HZ3      LYS   2  -3.864  -0.617  -3.603
   20    HA   PRO   3           HA       PRO   3  -1.985  -8.049  -1.220
   21    HB2  PRO   3           HB2      PRO   3  -0.661  -9.189  -3.279
   22    HB3  PRO   3           HB1      PRO   3  -2.298  -9.693  -2.839
   23    HG2  PRO   3           HG2      PRO   3  -1.422  -7.779  -4.973
   24    HG3  PRO   3           HG1      PRO   3  -2.558  -9.135  -5.100
   25    HD2  PRO   3           HD2      PRO   3  -3.406  -6.622  -4.802
   26    HD3  PRO   3           HD1      PRO   3  -4.250  -7.991  -4.045
   27    HA   HYP   4           HA       HYP   4   1.820  -5.780  -0.900
   28    HB2  HYP   4           HB1      HYP   4   3.479  -7.147  -0.175
   29    HB3  HYP   4           HB2      HYP   4   3.374  -8.199  -1.592
   30    HG   HYP   4           HG       HYP   4   2.389  -9.515   0.138
   31   HD22  HYP   4          HD11      HYP   4  -0.171  -8.936  -0.363
   32   HD23  HYP   4          HD12      HYP   4   0.862  -9.485  -1.703
   33    HD1  HYP   4           HD2      HYP   4   1.873  -7.124   1.156
   34    H    GLY   5           H        GLY   5   2.887  -4.485  -2.199
   35    HA2  GLY   5           HA2      GLY   5   4.298  -3.963  -3.959
   36    HA3  GLY   5           HA1      GLY   5   3.850  -5.473  -4.732
   37    H    SER   6           H        SER   6   0.967  -4.703  -4.155
   38    HA   SER   6           HA       SER   6   0.529  -3.451  -6.639
   39    HB2  SER   6           HB2      SER   6  -1.177  -4.821  -6.026
   40    HB3  SER   6           HB1      SER   6  -1.326  -4.133  -4.368
   41    HG   SER   6           HG       SER   6  -2.274  -2.330  -5.392
   42    H    LYS   7           H        LYS   7  -0.847  -1.763  -6.703
   43    HA   LYS   7           HA       LYS   7   0.443   0.566  -5.454
   44    HB2  LYS   7           HB2      LYS   7  -0.893   1.995  -6.958
   45    HB3  LYS   7           HB1      LYS   7  -0.054   0.751  -7.866
   46    HG2  LYS   7           HG2      LYS   7  -2.123  -0.518  -8.090
   47    HG3  LYS   7           HG1      LYS   7  -2.969   0.665  -7.093
   48    HD2  LYS   7           HD2      LYS   7  -2.488   2.408  -8.745
   49    HD3  LYS   7           HD1      LYS   7  -1.639   1.232  -9.741
   50    HE2  LYS   7           HE2      LYS   7  -4.567   1.102  -9.008
   51    HE3  LYS   7           HE1      LYS   7  -3.940   1.709 -10.532
   52    HZ1  LYS   7           HZ1      LYS   7  -4.709  -0.547 -10.717
   53    HZ2  LYS   7           HZ2      LYS   7  -3.666  -1.085  -9.531
   54    HZ3  LYS   7           HZ3      LYS   7  -3.052  -0.493 -10.994
   55    H    CYS   8           H        CYS   8  -0.710   2.098  -4.149
   56    HA   CYS   8           HA       CYS   8  -3.352   1.159  -3.355
   57    HB2  CYS   8           HB2      CYS   8  -2.748   1.859  -1.009
   58    HB3  CYS   8           HB1      CYS   8  -2.160   0.313  -1.600
   59    H    SER   9           H        SER   9  -4.593   2.641  -2.077
   60    HA   SER   9           HA       SER   9  -4.553   5.170  -3.252
   61    HB2  SER   9           HB2      SER   9  -6.125   3.925  -1.065
   62    HB3  SER   9           HB1      SER   9  -6.592   5.347  -2.023
   63    HG   SER   9           HG       SER   9  -6.188   3.729  -3.840
   64    HA   HYP  10           HA       HYP  10  -1.229   6.652  -0.818
   65    HB2  HYP  10           HB1      HYP  10  -1.155   8.718  -1.679
   66    HB3  HYP  10           HB2      HYP  10  -2.479   9.260  -0.634
   67    HG   HYP  10           HG       HYP  10  -3.480   9.308  -2.883
   68   HD22  HYP  10          HD11      HYP  10  -4.730   7.059  -2.819
   69   HD23  HYP  10          HD12      HYP  10  -4.723   7.881  -1.231
   70    HD1  HYP  10           HD2      HYP  10  -2.764   6.780  -3.279
   71    H    SER  11           H        SER  11  -3.861   8.599   0.603
   72    HA   SER  11           HA       SER  11  -2.748   7.869   3.166
   73    HB2  SER  11           HB2      SER  11  -4.809   9.967   2.476
   74    HB3  SER  11           HB1      SER  11  -3.938   9.794   4.000
   75    HG   SER  11           HG       SER  11  -3.198  11.274   2.105
   76    H    MET  12           H        MET  12  -4.839   6.428   1.305
   77    HA   MET  12           HA       MET  12  -7.014   6.131   3.209
   78    HB2  MET  12           HB2      MET  12  -6.634   4.958   0.468
   79    HB3  MET  12           HB1      MET  12  -8.054   4.672   1.463
   80    HG2  MET  12           HG2      MET  12  -8.614   7.021   1.382
   81    HG3  MET  12           HG1      MET  12  -7.139   7.371   0.484
   82    HE1  MET  12           HE1      MET  12  -9.897   7.988  -2.202
   83    HE2  MET  12           HE2      MET  12  -8.555   8.680  -1.284
   84    HE3  MET  12          3HE       MET  12 -10.076   8.297  -0.479
   85    H    ARG  13           H        ARG  13  -4.441   4.383   1.863
   86    HA   ARG  13           HA       ARG  13  -3.384   2.423   2.342
   87    HB2  ARG  13           HB2      ARG  13  -2.886   3.708   4.301
   88    HB3  ARG  13           HB1      ARG  13  -4.412   3.255   5.018
   89    HG2  ARG  13           HG2      ARG  13  -3.601   0.993   5.338
   90    HG3  ARG  13           HG1      ARG  13  -2.126   1.363   4.440
   91    HD2  ARG  13           HD2      ARG  13  -2.972   2.688   7.019
   92    HD3  ARG  13           HD1      ARG  13  -1.766   1.412   6.885
   93    HE   ARG  13           HE       ARG  13  -1.254   3.765   5.266
   94   HH11  ARG  13          HH11      ARG  13  -0.606   2.158   8.373
   95   HH12  ARG  13          HH12      ARG  13   0.768   3.093   8.709
   96   HH21  ARG  13          HH21      ARG  13   0.698   5.028   5.749
   97   HH22  ARG  13          HH22      ARG  13   1.486   4.748   7.224
   98    H    ASP  14           H        ASP  14  -4.834   1.237   1.031
   99    HA   ASP  14           HA       ASP  14  -7.012  -0.167   2.420
  100    HB2  ASP  14           HB2      ASP  14  -8.085  -0.262   0.307
  101    HB3  ASP  14           HB1      ASP  14  -7.572   1.403   0.586
  102    H    CYS  15           H        CYS  15  -4.007  -0.849   1.717
  103    HA   CYS  15           HA       CYS  15  -4.143  -3.210   0.083
  104    HB2  CYS  15           HB2      CYS  15  -2.034  -2.405   2.070
  105    HB3  CYS  15           HB1      CYS  15  -1.839  -3.610   0.830
  106    H    CYS  16           H        CYS  16  -3.613  -5.405   0.858
  107    HA   CYS  16           HA       CYS  16  -5.186  -6.316   2.972
  108    HB2  CYS  16           HB2      CYS  16  -2.745  -7.590   1.736
  109    HB3  CYS  16           HB1      CYS  16  -3.930  -8.429   2.724
  110    H    THR  17           H        THR  17  -1.801  -5.352   2.867
  111    HA   THR  17           HA       THR  17  -1.469  -5.981   5.676
  112    HB   THR  17           HB       THR  17   0.926  -5.300   5.099
  113    HG1  THR  17           HG1      THR  17   1.383  -5.272   2.835
  114   HG21  THR  17          HG21      THR  17  -0.353  -7.591   3.590
  115   HG22  THR  17          HG22      THR  17   0.245  -7.661   5.252
  116   HG23  THR  17          HG23      THR  17   1.369  -7.422   3.908
  117    H    THR  18           H        THR  18  -0.092  -3.434   3.751
  118    HA   THR  18           HA       THR  18  -1.679  -1.350   4.751
  119    HB   THR  18           HB       THR  18  -0.272  -1.752   6.755
  120    HG1  THR  18           HG1      THR  18   0.192   0.315   7.065
  121   HG21  THR  18          HG21      THR  18   1.692  -2.671   5.663
  122   HG22  THR  18          HG22      THR  18   2.123  -1.309   6.699
  123   HG23  THR  18          HG23      THR  18   2.044  -1.095   4.950
  124    H    CYS  19           H        CYS  19  -0.370   0.739   4.105
  125    HA   CYS  19           HA       CYS  19   0.505   0.326   1.306
  126    HB2  CYS  19           HB2      CYS  19  -1.727   1.258   1.402
  127    HB3  CYS  19           HB1      CYS  19  -1.227   2.457   2.591
  128    H    ILE  20           H        ILE  20   2.473   1.061   0.987
  129    HA   ILE  20           HA       ILE  20   3.897   2.508   2.990
  130    HB   ILE  20           HB       ILE  20   4.702   1.925   0.118
  131   HG12  ILE  20          HG12      ILE  20   5.020   0.178   2.598
  132   HG13  ILE  20          HG11      ILE  20   4.077  -0.150   1.177
  133   HG21  ILE  20          HG21      ILE  20   6.353   2.478   2.582
  134   HG22  ILE  20          HG22      ILE  20   6.084   3.598   1.241
  135   HG23  ILE  20          HG23      ILE  20   6.990   2.109   0.979
  136   HD11  ILE  20          HD11      ILE  20   6.053  -0.344  -0.201
  137   HD12  ILE  20          HD12      ILE  20   6.145  -1.435   1.181
  138   HD13  ILE  20          HD13      ILE  20   7.076   0.061   1.176
  139    H    SER  21           H        SER  21   2.979   4.446   3.254
  140    HA   SER  21           HA       SER  21   1.564   6.004   1.576
  141    HB2  SER  21           HB2      SER  21   3.270   6.944   3.862
  142    HB3  SER  21           HB1      SER  21   1.805   7.713   3.244
  143    HG   SER  21           HG       SER  21   0.711   5.739   3.747
  144    H    TYR  22           H        TYR  22   5.061   5.877   1.640
  145    HA   TYR  22           HA       TYR  22   5.432   8.428   0.392
  146    HB2  TYR  22           HB2      TYR  22   7.130   7.041   1.762
  147    HB3  TYR  22           HB1      TYR  22   7.410   6.183   0.265
  148    HD1  TYR  22           HD1      TYR  22   7.752   9.436   1.920
  149    HD2  TYR  22           HD2      TYR  22   8.617   7.200  -1.594
  150    HE1  TYR  22           HE1      TYR  22   9.294  11.185   1.202
  151    HE2  TYR  22           HE2      TYR  22  10.170   8.948  -2.320
  152    HH   TYR  22           HH       TYR  22  10.477  11.403  -1.923
  153    H    THR  23           H        THR  23   5.730   5.122  -0.797
  154    HA   THR  23           HA       THR  23   5.909   6.148  -3.531
  155    HB   THR  23           HB       THR  23   7.657   4.566  -2.809
  156    HG1  THR  23           HG1      THR  23   6.723   4.605  -5.068
  157   HG21  THR  23          HG21      THR  23   5.416   2.550  -2.617
  158   HG22  THR  23          HG22      THR  23   6.362   3.182  -1.271
  159   HG23  THR  23          HG23      THR  23   7.135   2.173  -2.495
  160    H    LYS  24           H        LYS  24   3.509   4.954  -1.517
  161    HA   LYS  24           HA       LYS  24   1.484   4.196  -1.705
  162    HB2  LYS  24           HB2      LYS  24   1.492   5.256  -4.530
  163    HB3  LYS  24           HB1      LYS  24   0.124   4.667  -3.649
  164    HG2  LYS  24           HG2      LYS  24  -0.000   7.063  -3.581
  165    HG3  LYS  24           HG1      LYS  24   0.359   6.447  -1.975
  166    HD2  LYS  24           HD2      LYS  24   1.649   8.448  -2.428
  167    HD3  LYS  24           HD1      LYS  24   2.714   7.054  -2.277
  168    HE2  LYS  24           HE2      LYS  24   2.912   6.905  -4.687
  169    HE3  LYS  24           HE1      LYS  24   1.770   8.232  -4.894
  170    HZ1  LYS  24           HZ1      LYS  24   3.315   9.696  -3.798
  171    HZ2  LYS  24           HZ2      LYS  24   4.091   8.955  -5.094
  172    HZ3  LYS  24           HZ3      LYS  24   4.389   8.436  -3.513
  173    H    ARG  25           H        ARG  25   3.029   2.244  -1.735
  174    HA   ARG  25           HA       ARG  25   1.739   0.397  -3.576
  175    HB2  ARG  25           HB2      ARG  25   4.640   0.273  -2.785
  176    HB3  ARG  25           HB1      ARG  25   3.801  -0.978  -3.664
  177    HG2  ARG  25           HG2      ARG  25   4.409   1.801  -4.643
  178    HG3  ARG  25           HG1      ARG  25   5.127   0.299  -5.223
  179    HD2  ARG  25           HD2      ARG  25   2.724  -0.405  -5.821
  180    HD3  ARG  25           HD1      ARG  25   2.317   1.249  -5.462
  181    HE   ARG  25           HE       ARG  25   4.155   0.483  -7.588
  182   HH11  ARG  25          HH11      ARG  25   1.842   2.775  -6.189
  183   HH12  ARG  25          HH12      ARG  25   1.473   3.509  -7.689
  184   HH21  ARG  25          HH21      ARG  25   3.638   1.560  -9.661
  185   HH22  ARG  25          HH22      ARG  25   2.497   2.822  -9.659
  186    H    CYS  26           H        CYS  26   1.823  -1.818  -2.695
  187    HA   CYS  26           HA       CYS  26   1.063  -1.589   0.074
  188    HB2  CYS  26           HB2      CYS  26   0.782  -3.873  -1.875
  189    HB3  CYS  26           HB1      CYS  26   0.145  -3.863  -0.233
  190    H    ARG  27           H        ARG  27   1.975  -2.541   1.703
  191    HA   ARG  27           HA       ARG  27   4.748  -3.217   1.604
  192    HB2  ARG  27           HB2      ARG  27   3.339  -2.184   3.560
  193    HB3  ARG  27           HB1      ARG  27   2.793  -3.791   3.769
  194    HG2  ARG  27           HG2      ARG  27   5.014  -4.676   4.126
  195    HG3  ARG  27           HG1      ARG  27   5.689  -3.057   3.977
  196    HD2  ARG  27           HD2      ARG  27   4.763  -2.363   5.970
  197    HD3  ARG  27           HD1      ARG  27   3.561  -3.659   5.988
  198    HE   ARG  27           HE       ARG  27   6.076  -4.806   5.999
  199   HH11  ARG  27          HH11      ARG  27   4.220  -2.785   8.229
  200   HH12  ARG  27          HH12      ARG  27   4.714  -3.618   9.625
  201   HH21  ARG  27          HH21      ARG  27   6.701  -6.001   7.908
  202   HH22  ARG  27          HH22      ARG  27   6.169  -5.488   9.443
  203    H    LYS  28           H        LYS  28   5.600  -5.295   2.262
  204    HA   LYS  28           HA       LYS  28   4.126  -7.686   1.516
  205    HB2  LYS  28           HB2      LYS  28   6.681  -7.391   3.094
  206    HB3  LYS  28           HB1      LYS  28   6.081  -8.837   2.318
  207    HG2  LYS  28           HG2      LYS  28   6.389  -7.928   0.140
  208    HG3  LYS  28           HG1      LYS  28   6.807  -6.352   0.801
  209    HD2  LYS  28           HD2      LYS  28   8.789  -7.377   1.870
  210    HD3  LYS  28           HD1      LYS  28   8.372  -8.908   1.089
  211    HE2  LYS  28           HE2      LYS  28  10.078  -7.688  -0.167
  212    HE3  LYS  28           HE1      LYS  28   8.596  -7.876  -1.095
  213    HZ1  LYS  28           HZ1      LYS  28   9.348  -5.412   0.394
  214    HZ2  LYS  28           HZ2      LYS  28   7.998  -5.593  -0.607
  215    HZ3  LYS  28           HZ3      LYS  28   9.536  -5.638  -1.258
  216    H    TYR  29           H        TYR  29   4.390  -9.420   3.268
  217    HA   TYR  29           HA       TYR  29   2.348  -8.713   5.112
  218    HB2  TYR  29           HB2      TYR  29   3.934 -11.248   4.785
  219    HB3  TYR  29           HB1      TYR  29   2.636 -11.054   5.939
  220    HD1  TYR  29           HD1      TYR  29   3.497 -11.428   2.398
  221    HD2  TYR  29           HD2      TYR  29   0.296 -10.842   5.139
  222    HE1  TYR  29           HE1      TYR  29   1.899 -11.981   0.635
  223    HE2  TYR  29           HE2      TYR  29  -1.317 -11.399   3.385
  224    HH   TYR  29           HH       TYR  29  -1.471 -11.454   0.963
  225    H    TYR  30           H        TYR  30   5.592  -9.982   5.702
  226    HA   TYR  30           HA       TYR  30   5.551  -8.454   8.153
  227    HB2  TYR  30           HB2      TYR  30   6.996 -11.067   7.677
  228    HB3  TYR  30           HB1      TYR  30   6.895 -10.188   9.200
  229    HD1  TYR  30           HD1      TYR  30   4.384  -9.730   9.997
  230    HD2  TYR  30           HD2      TYR  30   5.569 -12.844   7.363
  231    HE1  TYR  30           HE1      TYR  30   2.328 -10.959  10.534
  232    HE2  TYR  30           HE2      TYR  30   3.527 -14.087   7.895
  233    HH   TYR  30           HH       TYR  30   1.884 -14.179   9.806
  Start of MODEL   18
    1    H1   CYS   1           HT1      CYS   1  -8.871  -7.038  -0.650
    2    H2   CYS   1           HT2      CYS   1  -9.472  -5.991  -1.790
    3    H3   CYS   1           HT3      CYS   1 -10.003  -5.880  -0.176
    4    HA   CYS   1           HA       CYS   1  -8.416  -4.158  -0.671
    5    HB2  CYS   1           HB2      CYS   1  -6.643  -4.837   1.003
    6    HB3  CYS   1           HB1      CYS   1  -8.301  -4.858   1.576
    7    H    LYS   2           H        LYS   2  -6.162  -3.684  -1.089
    8    HA   LYS   2           HA       LYS   2  -5.347  -5.149  -3.413
    9    HB2  LYS   2           HB2      LYS   2  -4.070  -2.758  -2.067
   10    HB3  LYS   2           HB1      LYS   2  -3.494  -3.503  -3.534
   11    HG2  LYS   2           HG2      LYS   2  -5.464  -2.936  -4.732
   12    HG3  LYS   2           HG1      LYS   2  -6.261  -2.384  -3.257
   13    HD2  LYS   2           HD2      LYS   2  -4.732  -0.562  -3.036
   14    HD3  LYS   2           HD1      LYS   2  -3.737  -1.174  -4.353
   15    HE2  LYS   2           HE2      LYS   2  -5.174   0.733  -5.012
   16    HE3  LYS   2           HE1      LYS   2  -5.478  -0.728  -5.950
   17    HZ1  LYS   2           HZ1      LYS   2  -7.453  -1.123  -4.728
   18    HZ2  LYS   2           HZ2      LYS   2  -7.498   0.504  -5.169
   19    HZ3  LYS   2           HZ3      LYS   2  -7.089   0.056  -3.592
   20    HA   PRO   3           HA       PRO   3  -2.661  -7.944  -1.330
   21    HB2  PRO   3           HB2      PRO   3  -1.283  -8.817  -3.529
   22    HB3  PRO   3           HB1      PRO   3  -2.923  -9.346  -3.145
   23    HG2  PRO   3           HG2      PRO   3  -2.013  -7.240  -5.061
   24    HG3  PRO   3           HG1      PRO   3  -3.262  -8.482  -5.272
   25    HD2  PRO   3           HD2      PRO   3  -3.851  -5.925  -4.682
   26    HD3  PRO   3           HD1      PRO   3  -4.825  -7.285  -4.077
   27    HA   HYP   4           HA       HYP   4   1.172  -5.855  -0.436
   28    HB2  HYP   4           HB1      HYP   4   2.487  -7.387   0.644
   29    HB3  HYP   4           HB2      HYP   4   2.592  -8.436  -0.780
   30    HG   HYP   4           HG       HYP   4   1.176  -9.659   0.677
   31   HD22  HYP   4          HD11      HYP   4  -1.196  -8.839  -0.241
   32   HD23  HYP   4          HD12      HYP   4  -0.016  -9.471  -1.404
   33    HD1  HYP   4           HD2      HYP   4  -0.506  -8.637   1.716
   34    H    GLY   5           H        GLY   5   2.551  -4.718  -1.613
   35    HA2  GLY   5           HA2      GLY   5   4.139  -4.306  -3.252
   36    HA3  GLY   5           HA1      GLY   5   3.748  -5.861  -3.953
   37    H    SER   6           H        SER   6   0.826  -4.648  -3.620
   38    HA   SER   6           HA       SER   6   0.726  -3.705  -6.309
   39    HB2  SER   6           HB2      SER   6  -1.200  -4.782  -5.642
   40    HB3  SER   6           HB1      SER   6  -1.432  -3.781  -4.163
   41    HG   SER   6           HG       SER   6  -2.180  -2.194  -5.538
   42    H    LYS   7           H        LYS   7  -0.402  -1.843  -6.641
   43    HA   LYS   7           HA       LYS   7   0.932   0.391  -5.249
   44    HB2  LYS   7           HB2      LYS   7   0.246   1.876  -7.134
   45    HB3  LYS   7           HB1      LYS   7   1.229   0.526  -7.658
   46    HG2  LYS   7           HG2      LYS   7  -0.772  -0.609  -8.484
   47    HG3  LYS   7           HG1      LYS   7  -1.764   0.755  -7.958
   48    HD2  LYS   7           HD2      LYS   7  -1.307   0.936 -10.345
   49    HD3  LYS   7           HD1      LYS   7  -0.491   2.234  -9.481
   50    HE2  LYS   7           HE2      LYS   7   1.626   0.972  -9.585
   51    HE3  LYS   7           HE1      LYS   7   0.800  -0.332 -10.442
   52    HZ1  LYS   7           HZ1      LYS   7   1.126   2.456 -11.408
   53    HZ2  LYS   7           HZ2      LYS   7   0.379   1.227 -12.270
   54    HZ3  LYS   7           HZ3      LYS   7   2.028   1.152 -11.942
   55    H    CYS   8           H        CYS   8  -0.282   1.993  -4.210
   56    HA   CYS   8           HA       CYS   8  -3.109   1.256  -3.929
   57    HB2  CYS   8           HB2      CYS   8  -2.780   1.596  -1.453
   58    HB3  CYS   8           HB1      CYS   8  -2.241   0.087  -2.174
   59    H    SER   9           H        SER   9  -4.362   2.698  -2.599
   60    HA   SER   9           HA       SER   9  -4.048   5.351  -3.411
   61    HB2  SER   9           HB2      SER   9  -5.916   4.479  -1.333
   62    HB3  SER   9           HB1      SER   9  -6.132   5.499  -2.776
   63    HG   SER   9           HG       SER   9  -6.325   2.749  -2.492
   64    HA   HYP  10           HA       HYP  10  -1.578   6.039   0.247
   65    HB2  HYP  10           HB1      HYP  10  -0.309   7.762  -0.521
   66    HB3  HYP  10           HB2      HYP  10  -1.657   8.900  -0.362
   67    HG   HYP  10           HG       HYP  10  -1.365   8.666  -2.778
   68   HD22  HYP  10          HD11      HYP  10  -3.305   7.066  -3.238
   69   HD23  HYP  10          HD12      HYP  10  -3.648   8.276  -1.965
   70    HD1  HYP  10           HD2      HYP  10  -1.616   5.975  -2.675
   71    H    SER  11           H        SER  11  -4.620   7.714  -0.116
   72    HA   SER  11           HA       SER  11  -4.492   8.486   2.687
   73    HB2  SER  11           HB2      SER  11  -6.530   9.274   0.579
   74    HB3  SER  11           HB1      SER  11  -6.431   9.905   2.220
   75    HG   SER  11           HG       SER  11  -5.424  11.300   0.764
   76    H    MET  12           H        MET  12  -6.066   6.272   0.500
   77    HA   MET  12           HA       MET  12  -7.896   5.465   2.577
   78    HB2  MET  12           HB2      MET  12  -7.500   4.239  -0.157
   79    HB3  MET  12           HB1      MET  12  -8.589   3.569   1.043
   80    HG2  MET  12           HG2      MET  12  -9.788   5.784   1.043
   81    HG3  MET  12           HG1      MET  12  -8.789   6.227  -0.337
   82    HE1  MET  12           HE1      MET  12  -9.929   3.599  -3.042
   83    HE2  MET  12           HE2      MET  12  -8.576   3.441  -1.926
   84    HE3  MET  12          3HE       MET  12  -8.896   4.990  -2.707
   85    H    ARG  13           H        ARG  13  -5.006   4.306   1.229
   86    HA   ARG  13           HA       ARG  13  -3.483   2.751   1.888
   87    HB2  ARG  13           HB2      ARG  13  -3.474   4.330   3.745
   88    HB3  ARG  13           HB1      ARG  13  -4.827   3.500   4.466
   89    HG2  ARG  13           HG2      ARG  13  -3.389   1.659   5.091
   90    HG3  ARG  13           HG1      ARG  13  -2.052   2.338   4.155
   91    HD2  ARG  13           HD2      ARG  13  -3.362   3.675   6.521
   92    HD3  ARG  13           HD1      ARG  13  -1.827   2.807   6.568
   93    HE   ARG  13           HE       ARG  13  -0.960   4.465   4.991
   94   HH11  ARG  13          HH11      ARG  13  -3.801   5.401   6.918
   95   HH12  ARG  13          HH12      ARG  13  -3.493   7.058   6.812
   96   HH21  ARG  13          HH21      ARG  13  -0.542   6.773   4.843
   97   HH22  ARG  13          HH22      ARG  13  -1.572   7.869   5.611
   98    H    ASP  14           H        ASP  14  -5.670   1.752   0.741
   99    HA   ASP  14           HA       ASP  14  -7.203  -0.124   2.258
  100    HB2  ASP  14           HB2      ASP  14  -8.361  -0.440   0.159
  101    HB3  ASP  14           HB1      ASP  14  -8.243   1.267   0.584
  102    H    CYS  15           H        CYS  15  -4.380  -0.776   1.917
  103    HA   CYS  15           HA       CYS  15  -4.393  -3.120   0.189
  104    HB2  CYS  15           HB2      CYS  15  -2.270  -2.332   2.189
  105    HB3  CYS  15           HB1      CYS  15  -2.134  -3.531   0.942
  106    H    CYS  16           H        CYS  16  -3.963  -5.237   1.010
  107    HA   CYS  16           HA       CYS  16  -5.572  -5.961   3.174
  108    HB2  CYS  16           HB2      CYS  16  -3.375  -7.465   1.790
  109    HB3  CYS  16           HB1      CYS  16  -4.557  -8.193   2.878
  110    H    THR  17           H        THR  17  -2.109  -5.316   2.958
  111    HA   THR  17           HA       THR  17  -1.810  -5.859   5.791
  112    HB   THR  17           HB       THR  17   0.583  -5.054   5.273
  113    HG1  THR  17           HG1      THR  17   1.100  -5.249   2.972
  114   HG21  THR  17          HG21      THR  17   0.035  -7.443   5.534
  115   HG22  THR  17          HG22      THR  17   1.236  -7.213   4.265
  116   HG23  THR  17          HG23      THR  17  -0.446  -7.515   3.838
  117    H    THR  18           H        THR  18  -0.464  -3.296   3.869
  118    HA   THR  18           HA       THR  18  -2.119  -1.231   4.745
  119    HB   THR  18           HB       THR  18  -0.878  -1.622   6.869
  120    HG1  THR  18           HG1      THR  18  -1.360   0.431   6.834
  121   HG21  THR  18          HG21      THR  18   1.219  -2.475   5.946
  122   HG22  THR  18          HG22      THR  18   1.517  -1.123   7.030
  123   HG23  THR  18          HG23      THR  18   1.584  -0.883   5.280
  124    H    CYS  19           H        CYS  19  -1.147   0.818   3.933
  125    HA   CYS  19           HA       CYS  19   0.311   0.275   1.429
  126    HB2  CYS  19           HB2      CYS  19  -1.954   1.194   1.138
  127    HB3  CYS  19           HB1      CYS  19  -1.542   2.536   2.202
  128    H    ILE  20           H        ILE  20   2.264   1.121   1.273
  129    HA   ILE  20           HA       ILE  20   3.238   2.768   3.452
  130    HB   ILE  20           HB       ILE  20   4.713   1.636   1.041
  131   HG12  ILE  20          HG12      ILE  20   3.916  -0.170   2.553
  132   HG13  ILE  20          HG11      ILE  20   5.667  -0.019   2.624
  133   HG21  ILE  20          HG21      ILE  20   5.820   3.629   1.923
  134   HG22  ILE  20          HG22      ILE  20   6.780   2.190   2.269
  135   HG23  ILE  20          HG23      ILE  20   5.812   2.935   3.543
  136   HD11  ILE  20          HD11      ILE  20   5.421   1.232   4.717
  137   HD12  ILE  20          HD12      ILE  20   4.743  -0.395   4.801
  138   HD13  ILE  20          HD13      ILE  20   3.674   0.996   4.633
  139    H    SER  21           H        SER  21   2.569   4.766   3.270
  140    HA   SER  21           HA       SER  21   1.595   6.063   1.083
  141    HB2  SER  21           HB2      SER  21   2.848   7.395   3.470
  142    HB3  SER  21           HB1      SER  21   1.491   7.961   2.496
  143    HG   SER  21           HG       SER  21   1.467   6.512   4.643
  144    H    TYR  22           H        TYR  22   4.930   5.753   2.007
  145    HA   TYR  22           HA       TYR  22   5.949   8.030   0.617
  146    HB2  TYR  22           HB2      TYR  22   7.082   6.644   2.473
  147    HB3  TYR  22           HB1      TYR  22   7.467   5.497   1.216
  148    HD1  TYR  22           HD1      TYR  22   9.109   6.051  -0.546
  149    HD2  TYR  22           HD2      TYR  22   8.256   8.774   2.608
  150    HE1  TYR  22           HE1      TYR  22  11.139   7.317  -1.092
  151    HE2  TYR  22           HE2      TYR  22  10.273  10.047   2.068
  152    HH   TYR  22           HH       TYR  22  12.004   9.531  -0.816
  153    H    THR  23           H        THR  23   5.959   4.581  -0.103
  154    HA   THR  23           HA       THR  23   6.854   5.179  -2.821
  155    HB   THR  23           HB       THR  23   8.134   3.452  -1.648
  156    HG1  THR  23           HG1      THR  23   6.633   2.709  -3.915
  157   HG21  THR  23          HG21      THR  23   6.387   2.533  -0.214
  158   HG22  THR  23          HG22      THR  23   7.135   1.241  -1.161
  159   HG23  THR  23          HG23      THR  23   5.555   1.871  -1.620
  160    H    LYS  24           H        LYS  24   3.953   4.681  -1.297
  161    HA   LYS  24           HA       LYS  24   1.821   4.461  -1.943
  162    HB2  LYS  24           HB2      LYS  24   2.570   4.500  -4.851
  163    HB3  LYS  24           HB1      LYS  24   1.134   5.084  -4.072
  164    HG2  LYS  24           HG2      LYS  24   3.822   6.437  -3.872
  165    HG3  LYS  24           HG1      LYS  24   2.498   6.952  -4.910
  166    HD2  LYS  24           HD2      LYS  24   1.116   7.365  -2.938
  167    HD3  LYS  24           HD1      LYS  24   2.427   6.803  -1.898
  168    HE2  LYS  24           HE2      LYS  24   3.854   8.612  -2.748
  169    HE3  LYS  24           HE1      LYS  24   2.511   9.192  -3.734
  170    HZ1  LYS  24           HZ1      LYS  24   2.479   8.974  -0.780
  171    HZ2  LYS  24           HZ2      LYS  24   1.275   9.692  -1.727
  172    HZ3  LYS  24           HZ3      LYS  24   2.806  10.381  -1.615
  173    H    ARG  25           H        ARG  25   3.373   2.143  -1.513
  174    HA   ARG  25           HA       ARG  25   2.017   0.239  -3.297
  175    HB2  ARG  25           HB2      ARG  25   4.818  -0.154  -2.240
  176    HB3  ARG  25           HB1      ARG  25   3.914  -1.284  -3.220
  177    HG2  ARG  25           HG2      ARG  25   4.989   1.389  -4.070
  178    HG3  ARG  25           HG1      ARG  25   5.512  -0.207  -4.620
  179    HD2  ARG  25           HD2      ARG  25   3.232  -0.549  -5.577
  180    HD3  ARG  25           HD1      ARG  25   2.841   1.076  -5.045
  181    HE   ARG  25           HE       ARG  25   4.918   0.482  -7.003
  182   HH11  ARG  25          HH11      ARG  25   2.330   2.612  -5.782
  183   HH12  ARG  25          HH12      ARG  25   2.379   3.636  -7.140
  184   HH21  ARG  25          HH21      ARG  25   4.975   1.920  -8.812
  185   HH22  ARG  25          HH22      ARG  25   3.915   3.247  -8.885
  186    H    CYS  26           H        CYS  26   1.845  -1.954  -2.327
  187    HA   CYS  26           HA       CYS  26   0.935  -1.552   0.376
  188    HB2  CYS  26           HB2      CYS  26   0.680  -3.925  -1.476
  189    HB3  CYS  26           HB1      CYS  26  -0.061  -3.799   0.118
  190    H    ARG  27           H        ARG  27   1.765  -2.459   2.084
  191    HA   ARG  27           HA       ARG  27   4.505  -3.029   2.158
  192    HB2  ARG  27           HB2      ARG  27   2.945  -2.175   4.001
  193    HB3  ARG  27           HB1      ARG  27   2.489  -3.833   4.202
  194    HG2  ARG  27           HG2      ARG  27   4.719  -4.523   4.671
  195    HG3  ARG  27           HG1      ARG  27   5.313  -2.876   4.447
  196    HD2  ARG  27           HD2      ARG  27   4.018  -2.140   6.315
  197    HD3  ARG  27           HD1      ARG  27   3.330  -3.758   6.534
  198    HE   ARG  27           HE       ARG  27   6.127  -2.983   6.940
  199   HH11  ARG  27          HH11      ARG  27   3.465  -5.273   7.521
  200   HH12  ARG  27          HH12      ARG  27   4.351  -6.297   8.533
  201   HH21  ARG  27          HH21      ARG  27   7.363  -4.395   8.390
  202   HH22  ARG  27          HH22      ARG  27   6.621  -5.782   9.048
  203    H    LYS  28           H        LYS  28   5.603  -4.951   2.448
  204    HA   LYS  28           HA       LYS  28   4.381  -7.391   1.456
  205    HB2  LYS  28           HB2      LYS  28   7.100  -7.004   2.690
  206    HB3  LYS  28           HB1      LYS  28   6.576  -8.329   1.720
  207    HG2  LYS  28           HG2      LYS  28   6.433  -6.909  -0.248
  208    HG3  LYS  28           HG1      LYS  28   6.975  -5.527   0.719
  209    HD2  LYS  28           HD2      LYS  28   9.052  -6.705   1.237
  210    HD3  LYS  28           HD1      LYS  28   8.521  -8.082   0.277
  211    HE2  LYS  28           HE2      LYS  28  10.099  -6.692  -0.970
  212    HE3  LYS  28           HE1      LYS  28   8.513  -6.693  -1.732
  213    HZ1  LYS  28           HZ1      LYS  28   9.553  -4.475  -1.618
  214    HZ2  LYS  28           HZ2      LYS  28   9.512  -4.543   0.059
  215    HZ3  LYS  28           HZ3      LYS  28   8.075  -4.534  -0.821
  216    H    TYR  29           H        TYR  29   5.070  -9.332   2.748
  217    HA   TYR  29           HA       TYR  29   3.905  -9.297   5.373
  218    HB2  TYR  29           HB2      TYR  29   5.430 -11.357   3.794
  219    HB3  TYR  29           HB1      TYR  29   4.939 -11.662   5.439
  220    HD1  TYR  29           HD1      TYR  29   3.656 -10.937   2.007
  221    HD2  TYR  29           HD2      TYR  29   2.711 -12.427   5.880
  222    HE1  TYR  29           HE1      TYR  29   1.534 -11.792   1.153
  223    HE2  TYR  29           HE2      TYR  29   0.580 -13.281   5.030
  224    HH   TYR  29           HH       TYR  29  -0.087 -13.554   1.731
  225    H    TYR  30           H        TYR  30   7.101  -9.832   4.050
  226    HA   TYR  30           HA       TYR  30   8.274  -8.686   6.415
  227    HB2  TYR  30           HB2      TYR  30   9.269 -11.055   4.810
  228    HB3  TYR  30           HB1      TYR  30  10.233 -10.222   6.026
  229    HD1  TYR  30           HD1      TYR  30   9.570 -10.347   8.401
  230    HD2  TYR  30           HD2      TYR  30   7.582 -12.633   5.424
  231    HE1  TYR  30           HE1      TYR  30   8.624 -11.768  10.147
  232    HE2  TYR  30           HE2      TYR  30   6.619 -14.073   7.162
  233    HH   TYR  30           HH       TYR  30   6.716 -13.242  10.471
  Start of MODEL   19
    1    H1   CYS   1           HT1      CYS   1  -9.671  -6.749  -0.644
    2    H2   CYS   1           HT2      CYS   1  -8.469  -7.483  -1.573
    3    H3   CYS   1           HT3      CYS   1  -9.407  -6.281  -2.252
    4    HA   CYS   1           HA       CYS   1  -8.428  -4.656  -0.742
    5    HB2  CYS   1           HB2      CYS   1  -6.537  -5.292   0.605
    6    HB3  CYS   1           HB1      CYS   1  -7.869  -6.332   1.064
    7    H    LYS   2           H        LYS   2  -6.014  -4.064  -1.072
    8    HA   LYS   2           HA       LYS   2  -5.223  -4.941  -3.720
    9    HB2  LYS   2           HB2      LYS   2  -4.071  -2.776  -1.947
   10    HB3  LYS   2           HB1      LYS   2  -3.386  -3.253  -3.478
   11    HG2  LYS   2           HG2      LYS   2  -5.289  -2.565  -4.686
   12    HG3  LYS   2           HG1      LYS   2  -6.206  -2.291  -3.199
   13    HD2  LYS   2           HD2      LYS   2  -4.791  -0.476  -2.584
   14    HD3  LYS   2           HD1      LYS   2  -3.683  -0.834  -3.911
   15    HE2  LYS   2           HE2      LYS   2  -5.204   1.105  -4.319
   16    HE3  LYS   2           HE1      LYS   2  -5.301  -0.164  -5.540
   17    HZ1  LYS   2           HZ1      LYS   2  -7.318  -0.916  -4.636
   18    HZ2  LYS   2           HZ2      LYS   2  -7.477   0.780  -4.686
   19    HZ3  LYS   2           HZ3      LYS   2  -7.136  -0.014  -3.244
   20    HA   PRO   3           HA       PRO   3  -2.542  -8.031  -2.001
   21    HB2  PRO   3           HB2      PRO   3  -1.127  -7.765  -4.592
   22    HB3  PRO   3           HB1      PRO   3  -1.850  -9.200  -3.867
   23    HG2  PRO   3           HG2      PRO   3  -2.998  -7.999  -5.949
   24    HG3  PRO   3           HG1      PRO   3  -3.975  -8.668  -4.635
   25    HD2  PRO   3           HD2      PRO   3  -3.246  -5.826  -5.183
   26    HD3  PRO   3           HD1      PRO   3  -4.779  -6.548  -4.632
   27    HA   HYP   4           HA       HYP   4   1.045  -5.756  -0.674
   28    HB2  HYP   4           HB1      HYP   4   2.129  -7.276   0.663
   29    HB3  HYP   4           HB2      HYP   4   2.658  -8.207  -0.742
   30    HG   HYP   4           HG       HYP   4   1.084  -9.676   0.273
   31   HD22  HYP   4          HD11      HYP   4  -1.084  -9.072  -1.090
   32   HD23  HYP   4          HD12      HYP   4   0.415  -9.322  -2.023
   33    HD1  HYP   4           HD2      HYP   4  -0.557  -9.079   1.341
   34    H    GLY   5           H        GLY   5   2.500  -4.585  -1.740
   35    HA2  GLY   5           HA2      GLY   5   4.208  -4.193  -3.278
   36    HA3  GLY   5           HA1      GLY   5   3.781  -5.680  -4.108
   37    H    SER   6           H        SER   6   0.876  -4.683  -3.805
   38    HA   SER   6           HA       SER   6   0.621  -3.611  -6.392
   39    HB2  SER   6           HB2      SER   6  -1.250  -4.729  -5.620
   40    HB3  SER   6           HB1      SER   6  -1.353  -3.782  -4.101
   41    HG   SER   6           HG       SER   6  -2.173  -2.122  -5.363
   42    H    LYS   7           H        LYS   7  -0.548  -1.810  -6.674
   43    HA   LYS   7           HA       LYS   7   0.845   0.544  -5.543
   44    HB2  LYS   7           HB2      LYS   7   0.550   0.357  -8.035
   45    HB3  LYS   7           HB1      LYS   7  -1.188   0.432  -7.804
   46    HG2  LYS   7           HG2      LYS   7  -0.992   2.685  -6.922
   47    HG3  LYS   7           HG1      LYS   7   0.763   2.608  -7.090
   48    HD2  LYS   7           HD2      LYS   7   0.510   2.314  -9.512
   49    HD3  LYS   7           HD1      LYS   7  -1.243   2.407  -9.336
   50    HE2  LYS   7           HE2      LYS   7  -0.305   4.536 -10.063
   51    HE3  LYS   7           HE1      LYS   7  -1.058   4.669  -8.475
   52    HZ1  LYS   7           HZ1      LYS   7   1.203   4.464  -7.500
   53    HZ2  LYS   7           HZ2      LYS   7   1.013   5.821  -8.415
   54    HZ3  LYS   7           HZ3      LYS   7   1.868   4.504  -9.045
   55    H    CYS   8           H        CYS   8  -0.248   1.994  -4.180
   56    HA   CYS   8           HA       CYS   8  -2.979   1.122  -3.582
   57    HB2  CYS   8           HB2      CYS   8  -2.550   1.588  -1.223
   58    HB3  CYS   8           HB1      CYS   8  -1.659   0.215  -1.859
   59    H    SER   9           H        SER   9  -4.025   2.634  -1.915
   60    HA   SER   9           HA       SER   9  -4.236   5.128  -3.166
   61    HB2  SER   9           HB2      SER   9  -6.044   5.223  -1.445
   62    HB3  SER   9           HB1      SER   9  -6.219   4.011  -2.727
   63    HG   SER   9           HG       SER   9  -6.306   2.556  -1.145
   64    HA   HYP  10           HA       HYP  10  -0.881   7.079  -0.955
   65    HB2  HYP  10           HB1      HYP  10  -1.300   9.230  -1.474
   66    HB3  HYP  10           HB2      HYP  10  -2.682   9.306  -0.369
   67    HG   HYP  10           HG       HYP  10  -3.694   9.396  -2.611
   68   HD22  HYP  10          HD11      HYP  10  -4.471   6.962  -2.764
   69   HD23  HYP  10          HD12      HYP  10  -4.613   7.625  -1.111
   70    HD1  HYP  10           HD2      HYP  10  -2.528   7.104  -3.321
   71    H    SER  11           H        SER  11  -3.905   7.847   0.882
   72    HA   SER  11           HA       SER  11  -2.553   6.711   3.193
   73    HB2  SER  11           HB2      SER  11  -3.520   8.713   4.525
   74    HB3  SER  11           HB1      SER  11  -2.073   8.973   3.553
   75    HG   SER  11           HG       SER  11  -4.500   9.427   2.266
   76    H    MET  12           H        MET  12  -4.674   5.692   1.493
   77    HA   MET  12           HA       MET  12  -6.959   5.786   3.335
   78    HB2  MET  12           HB2      MET  12  -6.785   4.645   0.553
   79    HB3  MET  12           HB1      MET  12  -8.207   4.557   1.581
   80    HG2  MET  12           HG2      MET  12  -8.370   6.979   1.589
   81    HG3  MET  12           HG1      MET  12  -6.917   7.086   0.598
   82    HE1  MET  12           HE1      MET  12 -10.876   5.205  -0.867
   83    HE2  MET  12           HE2      MET  12 -10.640   5.837   0.764
   84    HE3  MET  12          3HE       MET  12  -9.789   4.381   0.247
   85    H    ARG  13           H        ARG  13  -4.641   3.723   2.036
   86    HA   ARG  13           HA       ARG  13  -3.912   1.614   2.453
   87    HB2  ARG  13           HB2      ARG  13  -3.407   2.602   4.534
   88    HB3  ARG  13           HB1      ARG  13  -5.048   2.389   5.092
   89    HG2  ARG  13           HG2      ARG  13  -4.649  -0.107   5.060
   90    HG3  ARG  13           HG1      ARG  13  -2.971   0.221   4.624
   91    HD2  ARG  13           HD2      ARG  13  -3.189  -0.213   7.032
   92    HD3  ARG  13           HD1      ARG  13  -2.657   1.440   6.739
   93    HE   ARG  13           HE       ARG  13  -5.355   1.657   6.913
   94   HH11  ARG  13          HH11      ARG  13  -2.910   0.313   9.140
   95   HH12  ARG  13          HH12      ARG  13  -3.831   0.628  10.518
   96   HH21  ARG  13          HH21      ARG  13  -6.590   2.053   8.833
   97   HH22  ARG  13          HH22      ARG  13  -5.965   1.618  10.354
   98    H    ASP  14           H        ASP  14  -5.542   0.820   0.905
   99    HA   ASP  14           HA       ASP  14  -7.482  -0.866   2.287
  100    HB2  ASP  14           HB2      ASP  14  -8.746  -0.979   0.269
  101    HB3  ASP  14           HB1      ASP  14  -8.509   0.719   0.668
  102    H    CYS  15           H        CYS  15  -4.646  -1.206   1.743
  103    HA   CYS  15           HA       CYS  15  -4.453  -3.576   0.056
  104    HB2  CYS  15           HB2      CYS  15  -2.425  -2.495   2.033
  105    HB3  CYS  15           HB1      CYS  15  -2.123  -3.644   0.742
  106    H    CYS  16           H        CYS  16  -3.890  -5.688   0.983
  107    HA   CYS  16           HA       CYS  16  -5.234  -6.230   3.416
  108    HB2  CYS  16           HB2      CYS  16  -3.504  -7.832   1.617
  109    HB3  CYS  16           HB1      CYS  16  -3.906  -8.488   3.196
  110    H    THR  17           H        THR  17  -1.981  -5.379   2.709
  111    HA   THR  17           HA       THR  17  -1.183  -5.925   5.442
  112    HB   THR  17           HB       THR  17   1.029  -5.015   4.630
  113    HG1  THR  17           HG1      THR  17   1.252  -4.883   2.376
  114   HG21  THR  17          HG21      THR  17  -0.155  -7.369   3.156
  115   HG22  THR  17          HG22      THR  17   0.575  -7.420   4.760
  116   HG23  THR  17          HG23      THR  17   1.567  -7.047   3.348
  117    H    THR  18           H        THR  18  -0.233  -3.226   3.501
  118    HA   THR  18           HA       THR  18  -1.380  -1.135   5.101
  119    HB   THR  18           HB       THR  18   1.601  -1.776   5.261
  120    HG1  THR  18           HG1      THR  18  -0.408  -2.571   6.802
  121   HG21  THR  18          HG21      THR  18   1.810   0.077   6.810
  122   HG22  THR  18          HG22      THR  18   0.103   0.492   6.599
  123   HG23  THR  18          HG23      THR  18   1.239   0.641   5.243
  124    H    CYS  19           H        CYS  19  -0.668   0.979   4.029
  125    HA   CYS  19           HA       CYS  19   0.352   0.533   1.306
  126    HB2  CYS  19           HB2      CYS  19  -1.890   1.349   1.288
  127    HB3  CYS  19           HB1      CYS  19  -1.538   2.598   2.479
  128    H    ILE  20           H        ILE  20   2.342   1.252   1.061
  129    HA   ILE  20           HA       ILE  20   3.646   2.954   2.970
  130    HB   ILE  20           HB       ILE  20   4.572   2.214   0.168
  131   HG12  ILE  20          HG12      ILE  20   4.911   0.599   2.736
  132   HG13  ILE  20          HG11      ILE  20   3.986   0.168   1.329
  133   HG21  ILE  20          HG21      ILE  20   6.111   2.986   2.660
  134   HG22  ILE  20          HG22      ILE  20   5.853   3.993   1.238
  135   HG23  ILE  20          HG23      ILE  20   6.832   2.529   1.117
  136   HD11  ILE  20          HD11      ILE  20   6.966   0.498   1.332
  137   HD12  ILE  20          HD12      ILE  20   5.968  -0.023  -0.024
  138   HD13  ILE  20          HD13      ILE  20   6.101  -1.034   1.419
  139    H    SER  21           H        SER  21   3.094   5.052   2.967
  140    HA   SER  21           HA       SER  21   1.414   6.137   0.995
  141    HB2  SER  21           HB2      SER  21   1.441   6.688   3.467
  142    HB3  SER  21           HB1      SER  21   2.862   7.679   3.153
  143    HG   SER  21           HG       SER  21   0.273   7.914   2.131
  144    H    TYR  22           H        TYR  22   4.852   6.367   1.507
  145    HA   TYR  22           HA       TYR  22   5.354   8.656  -0.089
  146    HB2  TYR  22           HB2      TYR  22   6.884   7.575   1.628
  147    HB3  TYR  22           HB1      TYR  22   7.214   6.354   0.430
  148    HD1  TYR  22           HD1      TYR  22   7.764   9.874   1.309
  149    HD2  TYR  22           HD2      TYR  22   8.604   6.798  -1.498
  150    HE1  TYR  22           HE1      TYR  22   9.560  11.242   0.355
  151    HE2  TYR  22           HE2      TYR  22  10.401   8.150  -2.459
  152    HH   TYR  22           HH       TYR  22  11.742  10.719  -0.969
  153    H    THR  23           H        THR  23   5.808   5.233  -0.717
  154    HA   THR  23           HA       THR  23   6.472   5.608  -3.504
  155    HB   THR  23           HB       THR  23   5.955   2.996  -2.067
  156    HG1  THR  23           HG1      THR  23   8.362   4.496  -2.216
  157   HG21  THR  23          HG21      THR  23   7.830   3.732  -4.331
  158   HG22  THR  23          HG22      THR  23   6.285   2.920  -4.528
  159   HG23  THR  23          HG23      THR  23   7.590   2.118  -3.658
  160    H    LYS  24           H        LYS  24   3.612   4.905  -1.680
  161    HA   LYS  24           HA       LYS  24   1.590   4.286  -2.024
  162    HB2  LYS  24           HB2      LYS  24   1.947   5.048  -4.919
  163    HB3  LYS  24           HB1      LYS  24   0.444   4.613  -4.150
  164    HG2  LYS  24           HG2      LYS  24   0.377   6.964  -4.279
  165    HG3  LYS  24           HG1      LYS  24   0.779   6.600  -2.605
  166    HD2  LYS  24           HD2      LYS  24   3.130   7.025  -3.073
  167    HD3  LYS  24           HD1      LYS  24   2.736   7.364  -4.759
  168    HE2  LYS  24           HE2      LYS  24   1.306   9.228  -4.013
  169    HE3  LYS  24           HE1      LYS  24   1.785   8.894  -2.349
  170    HZ1  LYS  24           HZ1      LYS  24   4.087   9.302  -2.994
  171    HZ2  LYS  24           HZ2      LYS  24   3.135  10.663  -3.256
  172    HZ3  LYS  24           HZ3      LYS  24   3.595   9.699  -4.550
  173    H    ARG  25           H        ARG  25   3.088   2.295  -1.719
  174    HA   ARG  25           HA       ARG  25   1.920   0.306  -3.502
  175    HB2  ARG  25           HB2      ARG  25   4.743   0.181  -2.477
  176    HB3  ARG  25           HB1      ARG  25   3.930  -1.108  -3.313
  177    HG2  ARG  25           HG2      ARG  25   4.657   1.562  -4.505
  178    HG3  ARG  25           HG1      ARG  25   5.430   0.012  -4.858
  179    HD2  ARG  25           HD2      ARG  25   3.086  -0.771  -5.594
  180    HD3  ARG  25           HD1      ARG  25   2.669   0.920  -5.432
  181    HE   ARG  25           HE       ARG  25   4.490   1.358  -7.060
  182   HH11  ARG  25          HH11      ARG  25   2.699  -1.703  -7.108
  183   HH12  ARG  25          HH12      ARG  25   2.746  -1.874  -8.794
  184   HH21  ARG  25          HH21      ARG  25   4.558   1.102  -9.426
  185   HH22  ARG  25          HH22      ARG  25   3.842  -0.270 -10.122
  186    H    CYS  26           H        CYS  26   1.832  -1.826  -2.475
  187    HA   CYS  26           HA       CYS  26   1.020  -1.379   0.249
  188    HB2  CYS  26           HB2      CYS  26   0.637  -3.802  -1.522
  189    HB3  CYS  26           HB1      CYS  26  -0.072  -3.578   0.076
  190    H    ARG  27           H        ARG  27   1.880  -2.250   1.882
  191    HA   ARG  27           HA       ARG  27   4.634  -2.845   2.018
  192    HB2  ARG  27           HB2      ARG  27   2.984  -1.842   3.687
  193    HB3  ARG  27           HB1      ARG  27   2.499  -3.470   4.007
  194    HG2  ARG  27           HG2      ARG  27   4.693  -4.078   4.779
  195    HG3  ARG  27           HG1      ARG  27   5.288  -2.441   4.450
  196    HD2  ARG  27           HD2      ARG  27   3.667  -1.571   6.058
  197    HD3  ARG  27           HD1      ARG  27   3.107  -3.209   6.375
  198    HE   ARG  27           HE       ARG  27   5.754  -3.337   6.838
  199   HH11  ARG  27          HH11      ARG  27   3.125  -1.306   8.120
  200   HH12  ARG  27          HH12      ARG  27   3.882  -1.056   9.620
  201   HH21  ARG  27          HH21      ARG  27   6.769  -2.980   8.927
  202   HH22  ARG  27          HH22      ARG  27   5.972  -1.995  10.067
  203    H    LYS  28           H        LYS  28   5.507  -4.907   2.975
  204    HA   LYS  28           HA       LYS  28   4.035  -7.286   2.086
  205    HB2  LYS  28           HB2      LYS  28   6.777  -7.095   3.335
  206    HB3  LYS  28           HB1      LYS  28   6.028  -8.504   2.674
  207    HG2  LYS  28           HG2      LYS  28   6.816  -6.104   1.030
  208    HG3  LYS  28           HG1      LYS  28   7.716  -7.617   1.131
  209    HD2  LYS  28           HD2      LYS  28   4.898  -7.298   0.064
  210    HD3  LYS  28           HD1      LYS  28   6.348  -7.498  -0.910
  211    HE2  LYS  28           HE2      LYS  28   5.235  -9.538   1.041
  212    HE3  LYS  28           HE1      LYS  28   5.075  -9.586  -0.706
  213    HZ1  LYS  28           HZ1      LYS  28   6.843 -11.040   0.005
  214    HZ2  LYS  28           HZ2      LYS  28   7.641  -9.817   0.804
  215    HZ3  LYS  28           HZ3      LYS  28   7.499  -9.783  -0.872
  216    H    TYR  29           H        TYR  29   4.427  -9.089   3.728
  217    HA   TYR  29           HA       TYR  29   2.932  -8.278   6.076
  218    HB2  TYR  29           HB2      TYR  29   3.965 -10.988   5.201
  219    HB3  TYR  29           HB1      TYR  29   2.925 -10.708   6.580
  220    HD1  TYR  29           HD1      TYR  29   0.571  -9.839   6.151
  221    HD2  TYR  29           HD2      TYR  29   3.113 -11.222   3.030
  222    HE1  TYR  29           HE1      TYR  29  -1.373 -10.056   4.668
  223    HE2  TYR  29           HE2      TYR  29   1.191 -11.437   1.550
  224    HH   TYR  29           HH       TYR  29  -1.291 -11.752   1.811
  225    H    TYR  30           H        TYR  30   5.789 -10.205   5.438
  226    HA   TYR  30           HA       TYR  30   7.253  -8.933   7.545
  227    HB2  TYR  30           HB2      TYR  30   7.164 -11.930   7.026
  228    HB3  TYR  30           HB1      TYR  30   8.083 -11.104   8.272
  229    HD1  TYR  30           HD1      TYR  30   6.845 -10.043  10.193
  230    HD2  TYR  30           HD2      TYR  30   4.910 -12.558   7.377
  231    HE1  TYR  30           HE1      TYR  30   4.964 -10.324  11.750
  232    HE2  TYR  30           HE2      TYR  30   3.023 -12.846   8.901
  233    HH   TYR  30           HH       TYR  30   2.538 -10.913  11.642
  Start of MODEL   20
    1    H1   CYS   1           HT1      CYS   1  -8.735  -7.123  -1.179
    2    H2   CYS   1           HT2      CYS   1  -9.393  -5.872  -2.077
    3    H3   CYS   1           HT3      CYS   1  -9.782  -6.035  -0.431
    4    HA   CYS   1           HA       CYS   1  -8.185  -4.273  -0.792
    5    HB2  CYS   1           HB2      CYS   1  -6.359  -5.193   0.666
    6    HB3  CYS   1           HB1      CYS   1  -7.969  -5.301   1.335
    7    H    LYS   2           H        LYS   2  -6.005  -3.755  -1.295
    8    HA   LYS   2           HA       LYS   2  -5.191  -4.974  -3.759
    9    HB2  LYS   2           HB2      LYS   2  -3.932  -2.755  -2.129
   10    HB3  LYS   2           HB1      LYS   2  -3.401  -3.258  -3.720
   11    HG2  LYS   2           HG2      LYS   2  -6.122  -2.145  -3.098
   12    HG3  LYS   2           HG1      LYS   2  -4.772  -1.218  -3.741
   13    HD2  LYS   2           HD2      LYS   2  -4.740  -2.682  -5.730
   14    HD3  LYS   2           HD1      LYS   2  -6.131  -3.562  -5.085
   15    HE2  LYS   2           HE2      LYS   2  -7.465  -1.552  -5.143
   16    HE3  LYS   2           HE1      LYS   2  -6.085  -0.612  -5.691
   17    HZ1  LYS   2           HZ1      LYS   2  -7.438  -2.791  -7.181
   18    HZ2  LYS   2           HZ2      LYS   2  -6.094  -1.949  -7.753
   19    HZ3  LYS   2           HZ3      LYS   2  -7.552  -1.151  -7.503
   20    HA   PRO   3           HA       PRO   3  -2.501  -7.933  -1.862
   21    HB2  PRO   3           HB2      PRO   3  -1.045  -8.573  -4.096
   22    HB3  PRO   3           HB1      PRO   3  -2.678  -9.176  -3.798
   23    HG2  PRO   3           HG2      PRO   3  -1.778  -6.897  -5.511
   24    HG3  PRO   3           HG1      PRO   3  -3.002  -8.136  -5.848
   25    HD2  PRO   3           HD2      PRO   3  -3.654  -5.648  -5.051
   26    HD3  PRO   3           HD1      PRO   3  -4.611  -7.068  -4.583
   27    HA   HYP   4           HA       HYP   4   1.276  -5.872  -0.720
   28    HB2  HYP   4           HB1      HYP   4   2.550  -7.470   0.315
   29    HB3  HYP   4           HB2      HYP   4   2.811  -8.346  -1.197
   30    HG   HYP   4           HG       HYP   4   1.379  -9.801   0.002
   31   HD22  HYP   4          HD11      HYP   4  -0.966  -9.045  -1.012
   32   HD23  HYP   4          HD12      HYP   4   0.367  -9.364  -2.149
   33    HD1  HYP   4           HD2      HYP   4  -0.487  -8.915   0.994
   34    H    GLY   5           H        GLY   5   2.256  -4.500  -1.994
   35    HA2  GLY   5           HA2      GLY   5   3.996  -3.989  -3.522
   36    HA3  GLY   5           HA1      GLY   5   3.647  -5.487  -4.360
   37    H    SER   6           H        SER   6   0.672  -4.582  -3.939
   38    HA   SER   6           HA       SER   6   0.402  -3.351  -6.472
   39    HB2  SER   6           HB2      SER   6  -1.431  -4.581  -5.918
   40    HB3  SER   6           HB1      SER   6  -1.566  -3.914  -4.253
   41    HG   SER   6           HG       SER   6  -2.447  -2.064  -5.224
   42    H    LYS   7           H        LYS   7  -0.909  -1.553  -6.546
   43    HA   LYS   7           HA       LYS   7   0.566   0.672  -5.318
   44    HB2  LYS   7           HB2      LYS   7  -1.733   0.834  -7.286
   45    HB3  LYS   7           HB1      LYS   7  -0.713   2.167  -6.780
   46    HG2  LYS   7           HG2      LYS   7   1.213   1.054  -7.837
   47    HG3  LYS   7           HG1      LYS   7   0.127  -0.218  -8.407
   48    HD2  LYS   7           HD2      LYS   7  -1.198   1.462  -9.594
   49    HD3  LYS   7           HD1      LYS   7  -0.091   2.713  -9.044
   50    HE2  LYS   7           HE2      LYS   7   1.735   1.667 -10.251
   51    HE3  LYS   7           HE1      LYS   7   0.672   0.366 -10.771
   52    HZ1  LYS   7           HZ1      LYS   7   0.380   3.238 -11.493
   53    HZ2  LYS   7           HZ2      LYS   7  -0.671   2.010 -11.953
   54    HZ3  LYS   7           HZ3      LYS   7   0.910   2.009 -12.504
   55    H    CYS   8           H        CYS   8  -0.404   2.132  -3.930
   56    HA   CYS   8           HA       CYS   8  -3.136   1.429  -3.068
   57    HB2  CYS   8           HB2      CYS   8  -2.445   2.058  -0.789
   58    HB3  CYS   8           HB1      CYS   8  -1.861   0.520  -1.382
   59    H    SER   9           H        SER   9  -4.236   3.012  -1.823
   60    HA   SER   9           HA       SER   9  -3.737   5.666  -2.779
   61    HB2  SER   9           HB2      SER   9  -5.936   4.760  -1.016
   62    HB3  SER   9           HB1      SER   9  -5.885   5.993  -2.273
   63    HG   SER   9           HG       SER   9  -6.021   3.209  -2.565
   64    HA   HYP  10           HA       HYP  10  -1.526   6.600   0.934
   65    HB2  HYP  10           HB1      HYP  10  -0.980   8.785   0.610
   66    HB3  HYP  10           HB2      HYP  10  -2.646   9.318   0.898
   67    HG   HYP  10           HG       HYP  10  -2.269   9.648  -1.508
   68   HD22  HYP  10          HD11      HYP  10  -3.624   7.608  -2.322
   69   HD23  HYP  10          HD12      HYP  10  -4.321   8.408  -0.882
   70    HD1  HYP  10           HD2      HYP  10  -1.736   7.081  -1.899
   71    H    SER  11           H        SER  11  -4.836   8.025   1.082
   72    HA   SER  11           HA       SER  11  -4.685   7.735   3.948
   73    HB2  SER  11           HB2      SER  11  -6.916   8.990   3.850
   74    HB3  SER  11           HB1      SER  11  -5.459   9.870   3.391
   75    HG   SER  11           HG       SER  11  -6.602  10.300   1.700
   76    H    MET  12           H        MET  12  -6.278   6.227   1.243
   77    HA   MET  12           HA       MET  12  -8.245   4.885   2.824
   78    HB2  MET  12           HB2      MET  12  -7.120   3.939   0.180
   79    HB3  MET  12           HB1      MET  12  -8.487   3.268   1.006
   80    HG2  MET  12           HG2      MET  12  -9.734   5.343   0.687
   81    HG3  MET  12           HG1      MET  12  -8.361   6.026  -0.188
   82    HE1  MET  12           HE1      MET  12 -10.867   5.330  -3.110
   83    HE2  MET  12           HE2      MET  12  -9.845   6.529  -2.318
   84    HE3  MET  12          3HE       MET  12 -11.259   5.887  -1.483
   85    H    ARG  13           H        ARG  13  -5.115   4.146   1.687
   86    HA   ARG  13           HA       ARG  13  -3.654   2.443   2.022
   87    HB2  ARG  13           HB2      ARG  13  -3.511   3.543   4.156
   88    HB3  ARG  13           HB1      ARG  13  -4.983   2.767   4.697
   89    HG2  ARG  13           HG2      ARG  13  -3.840   0.691   4.988
   90    HG3  ARG  13           HG1      ARG  13  -2.428   1.280   4.116
   91    HD2  ARG  13           HD2      ARG  13  -2.096   1.247   6.562
   92    HD3  ARG  13           HD1      ARG  13  -1.914   2.838   5.846
   93    HE   ARG  13           HE       ARG  13  -4.554   2.419   6.818
   94   HH11  ARG  13          HH11      ARG  13  -1.250   3.134   7.855
   95   HH12  ARG  13          HH12      ARG  13  -1.710   4.030   9.223
   96   HH21  ARG  13          HH21      ARG  13  -5.196   3.681   8.722
   97   HH22  ARG  13          HH22      ARG  13  -3.979   4.352   9.714
   98    H    ASP  14           H        ASP  14  -5.524   1.670   0.541
   99    HA   ASP  14           HA       ASP  14  -7.344  -0.306   1.454
  100    HB2  ASP  14           HB2      ASP  14  -7.966  -0.385  -0.938
  101    HB3  ASP  14           HB1      ASP  14  -8.065   1.220  -0.231
  102    H    CYS  15           H        CYS  15  -4.735  -1.110   1.881
  103    HA   CYS  15           HA       CYS  15  -4.266  -3.275  -0.061
  104    HB2  CYS  15           HB2      CYS  15  -2.444  -2.357   2.145
  105    HB3  CYS  15           HB1      CYS  15  -2.089  -3.474   0.863
  106    H    CYS  16           H        CYS  16  -3.784  -5.355   0.746
  107    HA   CYS  16           HA       CYS  16  -5.446  -6.252   2.827
  108    HB2  CYS  16           HB2      CYS  16  -3.075  -7.585   1.542
  109    HB3  CYS  16           HB1      CYS  16  -4.319  -8.399   2.481
  110    H    THR  17           H        THR  17  -2.058  -5.365   2.697
  111    HA   THR  17           HA       THR  17  -1.722  -6.026   5.504
  112    HB   THR  17           HB       THR  17   0.671  -5.267   5.018
  113    HG1  THR  17           HG1      THR  17   1.165  -5.250   2.704
  114   HG21  THR  17          HG21      THR  17  -0.424  -7.558   3.359
  115   HG22  THR  17          HG22      THR  17   0.029  -7.658   5.058
  116   HG23  THR  17          HG23      THR  17   1.261  -7.348   3.832
  117    H    THR  18           H        THR  18  -0.315  -3.383   3.737
  118    HA   THR  18           HA       THR  18  -1.925  -1.332   4.773
  119    HB   THR  18           HB       THR  18  -0.612  -1.874   6.819
  120    HG1  THR  18           HG1      THR  18   0.046   0.223   7.233
  121   HG21  THR  18          HG21      THR  18   1.797  -1.383   6.907
  122   HG22  THR  18          HG22      THR  18   1.787  -1.101   5.167
  123   HG23  THR  18          HG23      THR  18   1.434  -2.710   5.802
  124    H    CYS  19           H        CYS  19  -0.511   0.805   4.263
  125    HA   CYS  19           HA       CYS  19   0.462   0.389   1.502
  126    HB2  CYS  19           HB2      CYS  19  -1.673   1.466   1.423
  127    HB3  CYS  19           HB1      CYS  19  -1.228   2.590   2.698
  128    H    ILE  20           H        ILE  20   2.478   1.031   1.170
  129    HA   ILE  20           HA       ILE  20   3.820   2.790   3.055
  130    HB   ILE  20           HB       ILE  20   4.914   1.665   0.464
  131   HG12  ILE  20          HG12      ILE  20   4.809   0.235   3.141
  132   HG13  ILE  20          HG11      ILE  20   4.002  -0.233   1.673
  133   HG21  ILE  20          HG21      ILE  20   7.071   1.826   1.644
  134   HG22  ILE  20          HG22      ILE  20   6.236   2.449   3.066
  135   HG23  ILE  20          HG23      ILE  20   6.240   3.381   1.568
  136   HD11  ILE  20          HD11      ILE  20   6.993  -0.158   1.982
  137   HD12  ILE  20          HD12      ILE  20   6.095  -0.701   0.565
  138   HD13  ILE  20          HD13      ILE  20   5.993  -1.604   2.076
  139    H    SER  21           H        SER  21   3.123   4.891   2.617
  140    HA   SER  21           HA       SER  21   2.177   5.578   0.014
  141    HB2  SER  21           HB2      SER  21   1.152   6.460   2.109
  142    HB3  SER  21           HB1      SER  21   2.617   7.402   2.383
  143    HG   SER  21           HG       SER  21   1.294   8.761   1.416
  144    H    TYR  22           H        TYR  22   5.230   5.501   1.327
  145    HA   TYR  22           HA       TYR  22   6.433   7.648  -0.118
  146    HB2  TYR  22           HB2      TYR  22   7.539   6.483   1.781
  147    HB3  TYR  22           HB1      TYR  22   7.625   5.039   0.813
  148    HD1  TYR  22           HD1      TYR  22   9.554   4.562  -0.354
  149    HD2  TYR  22           HD2      TYR  22   8.705   8.613   0.601
  150    HE1  TYR  22           HE1      TYR  22  11.683   5.234  -1.342
  151    HE2  TYR  22           HE2      TYR  22  10.845   9.297  -0.391
  152    HH   TYR  22           HH       TYR  22  12.649   7.326  -2.373
  153    H    THR  23           H        THR  23   6.331   4.214  -0.629
  154    HA   THR  23           HA       THR  23   7.305   4.342  -3.350
  155    HB   THR  23           HB       THR  23   6.206   1.931  -1.884
  156    HG1  THR  23           HG1      THR  23   8.813   3.030  -1.830
  157   HG21  THR  23          HG21      THR  23   6.812   1.649  -4.279
  158   HG22  THR  23          HG22      THR  23   7.883   0.734  -3.223
  159   HG23  THR  23          HG23      THR  23   8.427   2.256  -3.926
  160    H    LYS  24           H        LYS  24   4.305   4.442  -1.777
  161    HA   LYS  24           HA       LYS  24   2.135   4.485  -2.296
  162    HB2  LYS  24           HB2      LYS  24   2.558   4.266  -5.247
  163    HB3  LYS  24           HB1      LYS  24   1.355   5.126  -4.362
  164    HG2  LYS  24           HG2      LYS  24   4.207   6.061  -4.684
  165    HG3  LYS  24           HG1      LYS  24   2.800   6.708  -5.517
  166    HD2  LYS  24           HD2      LYS  24   3.335   6.800  -2.547
  167    HD3  LYS  24           HD1      LYS  24   3.501   8.138  -3.678
  168    HE2  LYS  24           HE2      LYS  24   1.091   8.032  -4.132
  169    HE3  LYS  24           HE1      LYS  24   0.947   6.695  -2.992
  170    HZ1  LYS  24           HZ1      LYS  24   1.772   8.231  -1.227
  171    HZ2  LYS  24           HZ2      LYS  24   0.316   8.669  -1.922
  172    HZ3  LYS  24           HZ3      LYS  24   1.703   9.500  -2.353
  173    H    ARG  25           H        ARG  25   3.479   2.058  -1.862
  174    HA   ARG  25           HA       ARG  25   1.838   0.242  -3.472
  175    HB2  ARG  25           HB2      ARG  25   4.660  -0.348  -2.632
  176    HB3  ARG  25           HB1      ARG  25   3.607  -1.445  -3.499
  177    HG2  ARG  25           HG2      ARG  25   4.868   1.092  -4.497
  178    HG3  ARG  25           HG1      ARG  25   5.188  -0.556  -5.046
  179    HD2  ARG  25           HD2      ARG  25   2.755  -0.606  -5.829
  180    HD3  ARG  25           HD1      ARG  25   2.706   1.067  -5.364
  181    HE   ARG  25           HE       ARG  25   4.579   0.107  -7.387
  182   HH11  ARG  25          HH11      ARG  25   2.322   2.555  -6.147
  183   HH12  ARG  25          HH12      ARG  25   2.453   3.570  -7.509
  184   HH21  ARG  25          HH21      ARG  25   4.751   1.565  -9.286
  185   HH22  ARG  25          HH22      ARG  25   3.839   2.995  -9.303
  186    H    CYS  26           H        CYS  26   1.552  -1.853  -2.436
  187    HA   CYS  26           HA       CYS  26   0.879  -1.452   0.326
  188    HB2  CYS  26           HB2      CYS  26   0.503  -3.815  -1.513
  189    HB3  CYS  26           HB1      CYS  26  -0.212  -3.629   0.088
  190    H    ARG  27           H        ARG  27   1.747  -2.511   1.986
  191    HA   ARG  27           HA       ARG  27   4.512  -3.165   1.882
  192    HB2  ARG  27           HB2      ARG  27   3.097  -2.248   3.827
  193    HB3  ARG  27           HB1      ARG  27   2.592  -3.886   4.051
  194    HG2  ARG  27           HG2      ARG  27   4.921  -4.627   4.300
  195    HG3  ARG  27           HG1      ARG  27   5.433  -2.944   4.247
  196    HD2  ARG  27           HD2      ARG  27   4.280  -2.481   6.299
  197    HD3  ARG  27           HD1      ARG  27   3.513  -4.075   6.278
  198    HE   ARG  27           HE       ARG  27   6.300  -4.316   6.143
  199   HH11  ARG  27          HH11      ARG  27   3.802  -3.555   8.561
  200   HH12  ARG  27          HH12      ARG  27   4.680  -4.220   9.851
  201   HH21  ARG  27          HH21      ARG  27   7.423  -5.240   7.854
  202   HH22  ARG  27          HH22      ARG  27   6.818  -5.198   9.462
  203    H    LYS  28           H        LYS  28   5.491  -5.196   2.477
  204    HA   LYS  28           HA       LYS  28   4.045  -7.699   1.850
  205    HB2  LYS  28           HB2      LYS  28   6.898  -7.117   2.712
  206    HB3  LYS  28           HB1      LYS  28   6.257  -8.694   2.372
  207    HG2  LYS  28           HG2      LYS  28   6.544  -6.469   0.363
  208    HG3  LYS  28           HG1      LYS  28   7.606  -7.864   0.527
  209    HD2  LYS  28           HD2      LYS  28   5.673  -9.352   0.077
  210    HD3  LYS  28           HD1      LYS  28   4.677  -7.924  -0.195
  211    HE2  LYS  28           HE2      LYS  28   7.138  -8.667  -1.767
  212    HE3  LYS  28           HE1      LYS  28   5.477  -8.943  -2.292
  213    HZ1  LYS  28           HZ1      LYS  28   5.170  -6.509  -2.262
  214    HZ2  LYS  28           HZ2      LYS  28   6.426  -6.960  -3.292
  215    HZ3  LYS  28           HZ3      LYS  28   6.763  -6.319  -1.791
  216    H    TYR  29           H        TYR  29   4.991  -9.344   3.543
  217    HA   TYR  29           HA       TYR  29   3.471  -8.829   5.871
  218    HB2  TYR  29           HB2      TYR  29   5.363 -11.021   5.123
  219    HB3  TYR  29           HB1      TYR  29   4.700 -10.938   6.751
  220    HD1  TYR  29           HD1      TYR  29   3.857 -11.378   3.169
  221    HD2  TYR  29           HD2      TYR  29   2.386 -11.485   7.154
  222    HE1  TYR  29           HE1      TYR  29   1.816 -12.436   2.372
  223    HE2  TYR  29           HE2      TYR  29   0.335 -12.551   6.370
  224    HH   TYR  29           HH       TYR  29  -0.936 -12.752   4.375
  225    H    TYR  30           H        TYR  30   6.978  -9.178   5.535
  226    HA   TYR  30           HA       TYR  30   7.186  -7.368   7.764
  227    HB2  TYR  30           HB2      TYR  30   9.092  -9.554   6.927
  228    HB3  TYR  30           HB1      TYR  30   9.519  -8.301   8.087
  229    HD1  TYR  30           HD1      TYR  30   7.907 -11.464   7.610
  230    HD2  TYR  30           HD2      TYR  30   8.124  -8.098  10.192
  231    HE1  TYR  30           HE1      TYR  30   6.900 -12.788   9.413
  232    HE2  TYR  30           HE2      TYR  30   7.123  -9.402  12.000
  233    HH   TYR  30           HH       TYR  30   5.761 -11.373  12.295