*HEADER    TRANSCRIPTION                           15-MAR-10   2KVH              
*TITLE     STRUCTURE OF THE THREE-CYS2HIS2 DOMAIN OF MOUSE TESTIS ZINC           
*TITLE    2 FINGER PROTEIN                                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ZINC FINGER AND BTB DOMAIN-CONTAINING PROTEIN 32;          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: MTZD_FINGER2, C2H2-TYPE 2 DOMAIN, UNP RESIDUES             
*COMPND   5 375-401;                                                             
*COMPND   6 SYNONYM: REPRESSOR OF GATA, TESTIS ZINC FINGER PROTEIN;              
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 ORGANISM_TAXID: 10090;                                               
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: TUNER(DE3)PLACI;                           
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PETBLUE-1                                  
*KEYWDS    PROTEIN/DNA, METAL-BINDING, TRANSCRIPTION, ZINC-FINGER                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    15                                                                    
*AUTHOR    C.-C.CHOU, Y.-C.LOU, C.CHEN                                           
*REVDAT   1   14-APR-10 2KVH    0                                                


remarks Glu 29
assign  (resid   29 and name  HN  )   (resid    30 and name  HN   ) 2.00 0.20 4.00

remarks Lys 30
assign  (resid  30 and name  HN  )   (resid     29 and name   HA    ) 2.00 0.20 1.50
assign  (resid  30 and name  HN  )   (resid     29 and name   HG*  ) 2.00 0.20 4.00
assign  (resid  30 and name  HN  )   (resid     29 and name   HB*  ) 2.00 0.20 3.00
assign  (resid  30 and name  HA  )   (resid     31 and name   HD*  ) 2.00 0.20 1.00

remarks Pro 31

remarks Phe 32 
assign   (resid  32 and name  HN )  (resid     41 and name  HN    ) 2.00 0.20 3.00
assign   (resid  32 and name  HN )  (resid     31 and name  HD*   ) 2.00 0.20 4.00
assign   (resid  32 and name  HN )  (resid     31 and name  HB*   ) 2.00 0.20 4.00

remarks Ser 33
assign   (resid  33 and name  HN  )  (resid   32 and name  HA   ) 2.00 0.20 1.00
assign   (resid  33 and name  HN  )  (resid   32 and name  HB*  ) 2.00 0.20 4.00
assign   (resid  33 and name  HA  )  (resid   40 and name  HA   ) 2.00 0.20 1.00
assign   (resid  33 and name  HA  )  (resid   41 and name  HN   ) 2.00 0.20 1.50
assign   (resid  33 and name  HA  )  (resid   39 and name  HG*  ) 2.00 0.20 3.00
assign   (resid  33 and name  HB* )  (resid   39 and name  HG*  ) 2.00 0.20 4.00

remarks Cys 34
assign  (resid   34 and name  HN  )  (resid     39 and name  HN   ) 2.00 0.20 1.50
assign  (resid   34 and name  HN  )  (resid     40 and name  HA   ) 2.00 0.20 2.00
assign  (resid   34 and name  HN  )  (resid     33 and name  HA   ) 2.00 0.20 1.00
assign  (resid   34 and name  HN  )  (resid     33 and name  HB*  ) 2.00 0.20 2.00
assign  (resid   34 and name  HN  )  (resid     40 and name  HD*  ) 2.00 0.20 5.00
assign  (resid   34 and name  HN  )  (resid     40 and name  HB*  ) 2.00 0.20 4.00
assign  (resid   34 and name  HA  )  (resid     35 and name  HN   ) 2.00 0.20 4.00
assign  (resid   34 and name  HB* )  (resid     39 and name  HG*  ) 2.00 0.20 5.00

remarks Ser 35
assign  (resid  35 and name  HN  )   (resid     36 and name   HN   ) 2.00 0.20 2.00

remarks Leu 36
assign  (resid  36 and name  HN  )   (resid     37 and name   HN   ) 2.00 0.20 2.00
assign  (resid  36 and name  HA  )   (resid     37 and name   HN   ) 2.00 0.20 3.00


remarks Cys 37
assign  (resid  37 and name  HN  )   (resid    38 and name  HD*  ) 2.00 0.20 3.00
assign  (resid  37 and name  HN  )   (resid    36 and name  HG    ) 2.00 0.20 3.00
assign  (resid  37 and name  HN  )   (resid    36 and name  HD*  ) 2.00 0.20 3.00
assign  (resid  37 and name  HA  )   (resid    38 and name  HD*  ) 2.00 0.20 1.00

remarks Pro 38

remarks Gln 39
assign  (resid  39 and name  HN  )   (resid    37 and name  HA   ) 2.00 0.20 3.00
assign  (resid  39 and name  HN  )   (resid    38 and name  HA   ) 2.00 0.20 3.00
assign  (resid  39 and name  HN  )   (resid    34 and name  HB*  ) 2.00 0.20 4.00
assign  (resid  39 and name  HN  )   (resid    37 and name  HB*  ) 2.00 0.20 5.00
assign  (resid  39 and name  HN  )   (resid    38 and name  HB*  ) 2.00 0.20 4.00
assign  (resid  39 and name  HA  )   (resid    40 and name  HA   ) 2.00 0.20 4.00


remarks Arg 40
assign  (resid  40 and name HN  )   (resid     39 and name   HA ) 2.00 0.20 1.00

remarks Ser 41
assign  (resid  41 and name HN  )   (resid     40 and name  HA   ) 2.00 0.20 1.00
assign  (resid  41 and name HN  )   (resid     32 and name  HB*  ) 2.00 0.20 5.00
assign  (resid  41 and name HN  )   (resid     40 and name  HB*  ) 2.00 0.20 4.00
assign  (resid  41 and name HB* )   (resid     47 and name  HG*  ) 2.00 0.20 4.00
assign  (resid  41 and name HB* )   (resid     47 and name  HB*  ) 2.00 0.20 2.00
assign  (resid  41 and name HB* )   (resid     46 and name  HB*  ) 2.00 0.20 2.00

remarks Arg 42

remarks Asp 43
assign  (resid  43 and name HN  )  (resid     42 and name  HA   ) 2.00 0.20 3.00
assign  (resid  43 and name HN  )  (resid     41 and name  HB*  ) 2.00 0.20 3.00
assign  (resid  43 and name HN  )  (resid     42 and name  HB*  ) 2.00 0.20 3.00
assign  (resid  43 and name HN  )  (resid     46 and name  HB*  ) 2.00 0.20 2.00
assign  (resid  43 and name HB* )  (resid     46 and name  HB*  ) 2.00 0.20 3.00

remarks Phe 44
assign  (resid   44 and name HN  )   (resid   45  and name  HN    ) 2.00 0.20 4.00
assign  (resid  44 and name HD* )   (resid    51 and name  HD*  ) 2.00 0.20 5.00

remarks Ser 45
assign  (resid   45 and name HN  )   (resid   46 and name HN  ) 2.00 0.20 3.00
assign  (resid   45 and name HN  )   (resid   47 and name HN  ) 2.00 0.20 4.00
assign  (resid   45 and name HN  )   (resid   44 and name HA  ) 2.00 0.20 3.00
assign  (resid   45 and name HN  )   (resid   44 and name HB* ) 2.00 0.20 4.00
assign  (resid   45 and name HN  )   (resid   43 and name HB* ) 2.00 0.20 2.00

remarks Ala 46
assign  (resid   46 and name HN  )   (resid   47 and name  HN   ) 2.00 0.20 2.00
assign  (resid   46 and name HN  )   (resid   45 and name  HB*  ) 2.00 0.20 2.00
assign  (resid   46 and name HN  )   (resid   43 and name  HB*  ) 2.00 0.20 3.00
assign  (resid   46 and name HN  )   (resid   47 and name  HB*  ) 2.00 0.20 4.00
assign  (resid   46 and name HA  )   (resid   49 and name  HB*  ) 2.00 0.20 2.00
assign  (resid   46 and name HB* )   (resid   47 and name  HA   ) 2.00 0.20 4.00
assign  (resid   46 and name HB* )   (resid   47 and name  HB*  ) 2.00 0.20 4.00

remarks Met 47
assign  (resid  47 and name HN  )    (resid   48 and name HN   ) 2.00 0.20 2.00
assign  (resid  47 and name HN  )    (resid   44 and name HA   ) 2.00 0.20 3.00
assign  (resid  47 and name HN  )    (resid   44 and name HB*  ) 2.00 0.20 4.00
assign  (resid  47 and name HN  )    (resid   46 and name HB*  ) 2.00 0.20 2.00
assign  (resid  47 and name HN  )    (resid   48 and name HG*  ) 2.00 0.20 4.00
assign  (resid  47 and name HA  )    (resid   50 and name HB*  ) 2.00 0.20 2.00

remarks Thr 48
assign  (resid  48 and name HN  )   (resid    49 and name HN    ) 2.00 0.20 2.00
assign  (resid  48 and name HN  )   (resid    47 and name HA    ) 2.00 0.20 3.00
assign  (resid  48 and name HN  )   (resid    44 and name HB*  ) 2.00 0.20 4.00
assign  (resid  48 and name HN  )   (resid    47 and name HB*  ) 2.00 0.20 2.00
assign  (resid  48 and name HN  )   (resid    46 and name HB*  ) 2.00 0.20 4.00

remarks Lys 49
assign  (resid  49 and name  HN  )   (resid    51 and name  HN   ) 2.00 0.20 4.00
assign  (resid  49 and name  HN  )   (resid    50 and name  HN   ) 2.00 0.20 2.00
assign  (resid  49 and name  HN  )   (resid    47 and name  HN   ) 2.00 0.20 4.00
assign  (resid  49 and name  HN  )   (resid    46 and name  HN   ) 2.00 0.20 4.00
assign  (resid  49 and name  HN  )   (resid    48 and name  HA   ) 2.00 0.20 3.00
assign  (resid  49 and name  HN  )   (resid    48 and name  HB   ) 2.00 0.20 3.00
assign  (resid  49 and name  HN  )   (resid    50 and name  HB*  ) 2.00 0.20 3.00
assign  (resid  49 and name  HN  )   (resid    48 and name  HG*  ) 2.00 0.20 4.00
assign  (resid  49 and name  HB* )   (resid    53 and name  HB*  ) 2.00 0.20 2.00

 
remarks His 50
assign  (resid  50 and name HN  )   (resid    51 and name HN   ) 2.00 0.20 2.00
assign  (resid  50 and name HN  )   (resid    47 and name HA   ) 2.00 0.20 2.00
assign  (resid  50 and name HN  )   (resid    48 and name HA   ) 2.00 0.20 3.00
assign  (resid  50 and name HN  )   (resid    49 and name HA   ) 2.00 0.20 2.00
assign  (resid  50 and name HN  )   (resid    49 and name HB*  ) 2.00 0.20 1.00
assign  (resid  50 and name HN  )   (resid    49 and name HG*  ) 2.00 0.20 3.00
assign  (resid  50 and name HA  )   (resid    53 and name HB*  ) 2.00 0.20 2.00
assign  (resid  50 and name HA  )   (resid    53 and name HG*  ) 2.00 0.20 2.00
assign  (resid  50 and name HD* )   (resid    54 and name HD*  ) 2.00 0.20 3.00
assign  (resid  50 and name HD* )   (resid    50 and name HA   ) 2.00 0.20 3.00
assign  (resid  50 and name HD* )   (resid    51 and name HA   ) 2.00 0.20 3.00
assign  (resid  50 and name HD* )   (resid    50 and name HB*  ) 2.00 0.20 3.00
assign  (resid  50 and name HD* )   (resid    39 and name HG*  ) 2.00 0.20 4.00
assign  (resid  50 and name HD* )   (resid    51 and name HB*  ) 2.00 0.20 4.00
assign  (resid  50 and name HD* )   (resid    53 and name HG*  ) 2.00 0.20 4.00
assign  (resid  50 and name HD* )   (resid    51 and name HD*  ) 2.00 0.20 3.00
assign  (resid  50 and name HE* )   (resid    50 and name HD*  ) 2.00 0.20 4.00
assign  (resid  50 and name HE* )   (resid    54 and name HD*  ) 2.00 0.20 4.00
assign  (resid  50 and name HE* )   (resid    51 and name HB*  ) 2.00 0.20 4.00
assign  (resid  50 and name HE* )   (resid    53 and name HG*  ) 2.00 0.20 4.00


remarks Leu 51
assign  (resid  51 and name HN  )   (resid    52 and name HN    ) 2.00 0.20 2.00
assign  (resid  51 and name HN  )   (resid    50 and name HD*   ) 2.00 0.20 3.00
assign  (resid  51 and name HN  )   (resid    50 and name HA    ) 2.00 0.20 3.00
assign  (resid  51 and name HN  )   (resid    48 and name HB    ) 2.00 0.20 3.00
assign  (resid  51 and name HN  )   (resid    50 and name HB*   ) 2.00 0.20 2.00
assign  (resid  51 and name HA  )   (resid    54 and name HD*   ) 2.00 0.20 1.50

remarks Arg 52
assign  (resid  52 and name HN  )   (resid    50 and name HN   ) 2.00 0.20 3.00
assign  (resid  52 and name HN  )   (resid    53 and name HN   ) 2.00 0.20 2.00
assign  (resid  52 and name HN  )   (resid    51 and name HA   ) 2.00 0.20 2.00
assign  (resid  52 and name HN  )   (resid    53 and name HG*  ) 2.00 0.20 4.00
assign  (resid  52 and name HN  )   (resid    51 and name HD*  ) 2.00 0.20 3.00
assign  (resid  52 and name HA  )   (resid    53 and name HN   ) 2.00 0.20 2.00

remarks Thr 53
assign  (resid  53 and name HN  )   (resid    51 and name HN   ) 2.00 0.20 3.00
assign  (resid  53 and name HN  )   (resid    54 and name HN   ) 2.00 0.20 2.00
assign  (resid  53 and name HN  )   (resid    50 and name HA   ) 2.00 0.20 3.00
assign  (resid  53 and name HN  )   (resid    51 and name HA   ) 2.00 0.20 3.00
assign  (resid  53 and name HN  )   (resid    54 and name HB*  ) 2.00 0.20 3.00
assign  (resid  53 and name HN  )   (resid    52 and name HB*  ) 2.00 0.20 2.00
assign  (resid  53 and name HN  )   (resid    52 and name HG*  ) 2.00 0.20 3.00

remarks His 54
assign  (resid  54 and name HN    )   (resid    55 and name HN    ) 2.00 0.20 3.00
assign  (resid  54 and name HN    )   (resid    53 and name HA    ) 2.00 0.20 3.00
assign  (resid  54 and name HN    )   (resid    51 and name HA    ) 2.00 0.20 3.00
assign  (resid  54 and name HN    )   (resid    53 and name HG*   ) 2.00 0.20 4.00
assign  (resid  54 and name HD*   )   (resid    54 and name HB*   ) 2.00 0.20 3.00
assign  (resid  54 and name HE*   )   (resid    54 and name HD*   ) 2.00 0.20 4.00
assign  (resid  54 and name HE*   )   (resid    37 and name HA    ) 2.00 0.20 3.00
assign  (resid  54 and name HE*   )   (resid    34 and name HB*   ) 2.00 0.20 4.00 
assign  (resid  54 and name HE*   )   (resid    37 and name HB*   ) 2.00 0.20 2.50
assign  (resid  54 and name HE*   )   (resid    36 and name HG*   ) 2.00 0.20 4.00
assign  (resid  54 and name HE*   )   (resid    36 and name HD*   ) 2.00 0.20 4.00


remarks Gly 55
assign  (resid  55 and name HN  )   (resid    54 and name HA   ) 2.00 0.20 3.00
assign  (resid  55 and name HN  )   (resid    54 and name HB*  ) 2.00 0.20 3.00

remarks hydrogen bond
assign (resid   34 and name  HN  )   (resid   39 and  name  O    ) 1.80 0.00 0.50
assign (resid   34 and name   N  )   (resid   39 and  name  O    ) 2.80 0.00 0.50
assign (resid   41 and name  HN  )   (resid   32 and  name  O    ) 1.80 0.00 0.50
assign (resid   41 and name   N  )   (resid   32 and  name  O    ) 2.80 0.00 0.50

remarks Zn  restraints
assign  (resid   34  and  name   SG  ) (resid  84 and  name  ZN  )  2.30  0.05 0.05
assign  (resid   37  and  name   SG  ) (resid  84 and  name  ZN  )  2.30  0.05 0.05
assign  (resid   50  and  name  NE2  ) (resid  84 and  name  ZN  )  2.00  0.05 0.05
assign  (resid   54  and  name  NE2  ) (resid  84 and  name  ZN  )  2.00  0.05 0.05

! phi residue     30
assign (resid   29 and name C)  (resid   30 and name N)
       (resid   30 and name CA) (resid   30 and name C) 1.0  -87.7   43.6 2
! psi residue     30
assign (resid   30 and name N)  (resid   30 and name CA)
       (resid   30 and name C)  (resid   31 and name N) 1.0  135.5   49.0 2
! phi residue     33
assign (resid   32 and name C)  (resid   33 and name N)
       (resid   33 and name CA) (resid   33 and name C) 1.0 -116.5   42.5 2
! psi residue     33
assign (resid   33 and name N)  (resid   33 and name CA)
       (resid   33 and name C)  (resid   34 and name N) 1.0  135.3   35.0 2
! phi residue     36
assign (resid   35 and name C)  (resid   36 and name N)
       (resid   36 and name CA) (resid   36 and name C) 1.0  -99.5   37.3 2
! psi residue     36
assign (resid   36 and name N)  (resid   36 and name CA)
       (resid   36 and name C)  (resid   37 and name N) 1.0  136.8   44.7 2
! phi residue     41
assign (resid   40 and name C)  (resid   41 and name N)
       (resid   41 and name CA) (resid   41 and name C) 1.0 -119.0   65.1 2
! psi residue     41
assign (resid   41 and name N)  (resid   41 and name CA)
       (resid   41 and name C)  (resid   42 and name N) 1.0  150.4   42.8 2
! phi residue     45
assign (resid   44 and name C)  (resid   45 and name N)
       (resid   45 and name CA) (resid   45 and name C) 1.0  -65.4   15.7 2
! psi residue     45
assign (resid   45 and name N)  (resid   45 and name CA)
       (resid   45 and name C)  (resid   46 and name N) 1.0  -39.6   21.2 2
! phi residue     46
assign (resid   45 and name C)  (resid   46 and name N)
       (resid   46 and name CA) (resid   46 and name C) 1.0  -67.1   20.1 2
! psi residue     46
assign (resid   46 and name N)  (resid   46 and name CA)
       (resid   46 and name C)  (resid   47 and name N) 1.0  -34.4   14.0 2
! phi residue     47
assign (resid   46 and name C)  (resid   47 and name N)
       (resid   47 and name CA) (resid   47 and name C) 1.0  -68.7   13.8 2
! psi residue     47
assign (resid   47 and name N)  (resid   47 and name CA)
       (resid   47 and name C)  (resid   48 and name N) 1.0  -38.5   17.1 2
! phi residue     48
assign (resid   47 and name C)  (resid   48 and name N)
       (resid   48 and name CA) (resid   48 and name C) 1.0  -66.8   13.3 2
! psi residue     48
assign (resid   48 and name N)  (resid   48 and name CA)
       (resid   48 and name C)  (resid   49 and name N) 1.0  -40.4   17.1 2
! phi residue     49
assign (resid   48 and name C)  (resid   49 and name N)
       (resid   49 and name CA) (resid   49 and name C) 1.0  -62.0   10.0 2
! psi residue     49
assign (resid   49 and name N)  (resid   49 and name CA)
       (resid   49 and name C)  (resid   50 and name N) 1.0  -41.6   12.4 2
! phi residue     50
assign (resid   49 and name C)  (resid   50 and name N)
       (resid   50 and name CA) (resid   50 and name C) 1.0  -65.9   13.5 2
! psi residue     50
assign (resid   50 and name N)  (resid   50 and name CA)
       (resid   50 and name C)  (resid   51 and name N) 1.0  -34.4   18.7 2
! phi residue     51
assign (resid   50 and name C)  (resid   51 and name N)
       (resid   51 and name CA) (resid   51 and name C) 1.0  -62.9   10.2 2
! psi residue     51
assign (resid   51 and name N)  (resid   51 and name CA)
       (resid   51 and name C)  (resid   52 and name N) 1.0  -39.7   21.1 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU  29           H1       GLU  29   3.039 -14.735   8.685
    2    H2   GLU  29           H2       GLU  29   3.428 -13.721   9.992
    3    H3   GLU  29           H3       GLU  29   4.464 -13.815   8.649
    4    HA   GLU  29           HA       GLU  29   1.840 -13.094   7.837
    5    HB2  GLU  29           HB2      GLU  29   3.114 -11.623  10.123
    6    HB3  GLU  29           HB3      GLU  29   2.220 -10.711   8.906
    7    HG2  GLU  29           HG2      GLU  29   0.204 -11.893   9.345
    8    HG3  GLU  29           HG3      GLU  29   1.048 -13.148  10.253
    9    H    LYS  30           H        LYS  30   2.082 -11.714   6.052
   10    HA   LYS  30           HA       LYS  30   4.879 -11.330   5.151
   11    HB2  LYS  30           HB2      LYS  30   3.049 -10.368   3.209
   12    HB3  LYS  30           HB3      LYS  30   3.969 -11.873   3.164
   13    HG2  LYS  30           HG2      LYS  30   2.201 -13.033   4.386
   14    HG3  LYS  30           HG3      LYS  30   1.294 -11.529   4.550
   15    HD2  LYS  30           HD2      LYS  30   1.098 -11.376   2.094
   16    HD3  LYS  30           HD3      LYS  30   1.998 -12.884   1.930
   17    HE2  LYS  30           HE2      LYS  30   0.031 -13.973   2.082
   18    HE3  LYS  30           HE3      LYS  30  -0.041 -13.461   3.768
   19    HZ1  LYS  30           HZ1      LYS  30  -1.174 -11.459   3.104
   20    HZ2  LYS  30           HZ2      LYS  30  -2.015 -12.804   2.505
   21    HZ3  LYS  30           HZ3      LYS  30  -1.043 -11.879   1.463
   22    HA   PRO  31           HA       PRO  31   5.350  -6.986   5.584
   23    HB2  PRO  31           HB2      PRO  31   4.947  -6.613   2.647
   24    HB3  PRO  31           HB3      PRO  31   6.270  -6.048   3.685
   25    HG2  PRO  31           HG2      PRO  31   6.545  -8.138   2.033
   26    HG3  PRO  31           HG3      PRO  31   7.377  -8.043   3.593
   27    HD2  PRO  31           HD2      PRO  31   5.099  -9.765   2.792
   28    HD3  PRO  31           HD3      PRO  31   6.300 -10.008   4.078
   29    H    PHE  32           H        PHE  32   4.228  -4.826   4.203
   30    HA   PHE  32           HA       PHE  32   1.359  -5.155   4.918
   31    HB2  PHE  32           HB2      PHE  32   3.283  -2.885   4.886
   32    HB3  PHE  32           HB3      PHE  32   1.607  -2.506   4.488
   33    HD1  PHE  32           HD1      PHE  32  -0.165  -3.790   6.081
   34    HD2  PHE  32           HD2      PHE  32   3.874  -2.773   7.133
   35    HE1  PHE  32           HE1      PHE  32  -0.764  -3.900   8.485
   36    HE2  PHE  32           HE2      PHE  32   3.275  -2.883   9.537
   37    HZ   PHE  32           HZ       PHE  32   0.956  -3.447  10.213
   38    H    SER  33           H        SER  33   0.326  -5.932   3.097
   39    HA   SER  33           HA       SER  33   0.954  -4.689   0.475
   40    HB2  SER  33           HB2      SER  33  -0.927  -6.526  -0.122
   41    HB3  SER  33           HB3      SER  33   0.781  -6.930   0.021
   42    HG   SER  33           HG       SER  33  -0.883  -8.179   1.289
   43    H    CYS  34           H        CYS  34  -1.027  -4.181  -0.921
   44    HA   CYS  34           HA       CYS  34  -2.800  -2.430   0.629
   45    HB2  CYS  34           HB2      CYS  34  -1.845  -1.748  -1.578
   46    HB3  CYS  34           HB3      CYS  34  -2.795  -3.020  -2.346
   47    H    SER  35           H        SER  35  -5.228  -2.511  -0.422
   48    HA   SER  35           HA       SER  35  -6.217  -5.188   0.346
   49    HB2  SER  35           HB2      SER  35  -7.695  -2.616  -0.286
   50    HB3  SER  35           HB3      SER  35  -8.450  -4.101   0.286
   51    HG   SER  35           HG       SER  35  -7.625  -3.785   2.228
   52    H    LEU  36           H        LEU  36  -7.072  -2.898  -2.284
   53    HA   LEU  36           HA       LEU  36  -7.501  -5.291  -4.026
   54    HB2  LEU  36           HB2      LEU  36  -9.373  -3.498  -3.472
   55    HB3  LEU  36           HB3      LEU  36  -8.551  -2.573  -4.729
   56    HG   LEU  36           HG       LEU  36  -9.662  -5.380  -5.014
   57   HD11  LEU  36          HD11      LEU  36 -10.664  -2.664  -5.609
   58   HD12  LEU  36          HD12      LEU  36 -11.557  -4.165  -5.367
   59   HD13  LEU  36          HD13      LEU  36 -10.825  -3.817  -6.933
   60   HD21  LEU  36          HD21      LEU  36  -8.129  -3.590  -6.923
   61   HD22  LEU  36          HD22      LEU  36  -9.026  -5.020  -7.436
   62   HD23  LEU  36          HD23      LEU  36  -7.651  -5.186  -6.343
   63    H    CYS  37           H        CYS  37  -5.333  -5.456  -4.750
   64    HA   CYS  37           HA       CYS  37  -4.486  -4.433  -7.090
   65    HB2  CYS  37           HB2      CYS  37  -2.977  -2.442  -6.324
   66    HB3  CYS  37           HB3      CYS  37  -4.690  -2.142  -6.606
   67    HA   PRO  38           HA       PRO  38  -1.172  -6.968  -5.506
   68    HB2  PRO  38           HB2      PRO  38   0.240  -7.180  -7.836
   69    HB3  PRO  38           HB3      PRO  38  -1.248  -8.091  -7.516
   70    HG2  PRO  38           HG2      PRO  38  -0.838  -5.651  -9.160
   71    HG3  PRO  38           HG3      PRO  38  -1.914  -7.032  -9.431
   72    HD2  PRO  38           HD2      PRO  38  -2.760  -4.599  -8.437
   73    HD3  PRO  38           HD3      PRO  38  -3.598  -6.138  -8.141
   74    H    GLN  39           H        GLN  39  -0.583  -4.775  -4.337
   75    HA   GLN  39           HA       GLN  39   2.172  -4.088  -5.198
   76    HB2  GLN  39           HB2      GLN  39   1.823  -1.801  -5.360
   77    HB3  GLN  39           HB3      GLN  39   0.279  -2.392  -5.974
   78    HG2  GLN  39           HG2      GLN  39  -0.518  -2.303  -3.518
   79    HG3  GLN  39           HG3      GLN  39   0.908  -1.306  -3.230
   80   HE21  GLN  39          HE21      GLN  39  -2.262  -1.374  -4.761
   81   HE22  GLN  39          HE22      GLN  39  -2.281   0.260  -5.219
   82    H    ARG  40           H        ARG  40   3.333  -2.893  -3.408
   83    HA   ARG  40           HA       ARG  40   2.118  -3.295  -0.727
   84    HB2  ARG  40           HB2      ARG  40   4.957  -4.174  -1.167
   85    HB3  ARG  40           HB3      ARG  40   3.819  -4.670   0.086
   86    HG2  ARG  40           HG2      ARG  40   2.472  -5.848  -1.649
   87    HG3  ARG  40           HG3      ARG  40   3.694  -5.423  -2.848
   88    HD2  ARG  40           HD2      ARG  40   5.395  -6.574  -1.343
   89    HD3  ARG  40           HD3      ARG  40   4.028  -7.196  -0.419
   90    HE   ARG  40           HE       ARG  40   3.520  -7.842  -3.112
   91   HH11  ARG  40          HH11      ARG  40   5.877  -8.433  -0.667
   92   HH12  ARG  40          HH12      ARG  40   6.304 -10.000  -1.270
   93   HH21  ARG  40          HH21      ARG  40   4.063  -9.885  -3.914
   94   HH22  ARG  40          HH22      ARG  40   5.276 -10.822  -3.108
   95    H    SER  41           H        SER  41   3.142  -1.984   0.917
   96    HA   SER  41           HA       SER  41   4.961   0.122  -0.184
   97    HB2  SER  41           HB2      SER  41   3.814   1.714   1.377
   98    HB3  SER  41           HB3      SER  41   2.752   1.094   0.115
   99    HG   SER  41           HG       SER  41   2.248  -0.591   1.780
  100    H    ARG  42           H        ARG  42   6.388   1.093   1.455
  101    HA   ARG  42           HA       ARG  42   7.130  -0.904   3.524
  102    HB2  ARG  42           HB2      ARG  42   8.652   1.590   2.728
  103    HB3  ARG  42           HB3      ARG  42   9.269   0.182   3.593
  104    HG2  ARG  42           HG2      ARG  42   8.683  -1.196   1.540
  105    HG3  ARG  42           HG3      ARG  42   8.393   0.328   0.700
  106    HD2  ARG  42           HD2      ARG  42  10.648   0.995   0.878
  107    HD3  ARG  42           HD3      ARG  42  10.982  -0.166   2.163
  108    HE   ARG  42           HE       ARG  42  10.237  -1.318  -0.449
  109   HH11  ARG  42          HH11      ARG  42  12.654  -0.359   1.815
  110   HH12  ARG  42          HH12      ARG  42  13.881  -1.379   1.140
  111   HH21  ARG  42          HH21      ARG  42  11.826  -2.656  -1.344
  112   HH22  ARG  42          HH22      ARG  42  13.412  -2.678  -0.648
  113    H    ASP  43           H        ASP  43   5.747   2.264   3.181
  114    HA   ASP  43           HA       ASP  43   5.439   2.392   6.128
  115    HB2  ASP  43           HB2      ASP  43   7.305   3.997   4.687
  116    HB3  ASP  43           HB3      ASP  43   5.981   5.048   5.192
  117    H    PHE  44           H        PHE  44   3.479   3.318   6.723
  118    HA   PHE  44           HA       PHE  44   1.319   3.399   4.967
  119    HB2  PHE  44           HB2      PHE  44   1.517   3.746   7.611
  120    HB3  PHE  44           HB3      PHE  44   1.354   5.440   7.148
  121    HD1  PHE  44           HD1      PHE  44  -0.148   2.175   6.040
  122    HD2  PHE  44           HD2      PHE  44  -0.825   6.242   7.247
  123    HE1  PHE  44           HE1      PHE  44  -2.588   1.859   5.737
  124    HE2  PHE  44           HE2      PHE  44  -3.265   5.925   6.945
  125    HZ   PHE  44           HZ       PHE  44  -4.147   3.734   6.189
  126    H    SER  45           H        SER  45   3.695   5.922   5.616
  127    HA   SER  45           HA       SER  45   2.453   8.165   4.495
  128    HB2  SER  45           HB2      SER  45   4.504   9.003   4.897
  129    HB3  SER  45           HB3      SER  45   5.125   7.372   5.135
  130    HG   SER  45           HG       SER  45   5.201   9.028   2.901
  131    H    ALA  46           H        ALA  46   4.425   5.742   2.733
  132    HA   ALA  46           HA       ALA  46   3.681   6.835   0.145
  133    HB1  ALA  46           HB1      ALA  46   5.601   5.023   1.097
  134    HB2  ALA  46           HB2      ALA  46   5.344   5.496  -0.582
  135    HB3  ALA  46           HB3      ALA  46   4.545   4.062   0.062
  136    H    MET  47           H        MET  47   2.570   4.134   2.159
  137    HA   MET  47           HA       MET  47   0.841   2.905   0.270
  138    HB2  MET  47           HB2      MET  47   1.497   2.182   2.700
  139    HB3  MET  47           HB3      MET  47   0.093   3.138   3.176
  140    HG2  MET  47           HG2      MET  47  -1.235   1.818   1.447
  141    HG3  MET  47           HG3      MET  47   0.158   0.742   1.330
  142    HE1  MET  47           HE1      MET  47  -3.013  -0.592   3.162
  143    HE2  MET  47           HE2      MET  47  -1.643  -1.588   2.652
  144    HE3  MET  47           HE3      MET  47  -2.219  -0.282   1.620
  145    H    THR  48           H        THR  48   0.458   5.797   2.233
  146    HA   THR  48           HA       THR  48  -2.381   6.087   1.872
  147    HB   THR  48           HB       THR  48  -1.880   8.531   2.380
  148    HG1  THR  48           HG1      THR  48   0.115   9.129   2.301
  149   HG21  THR  48          HG21      THR  48  -0.683   7.686   4.677
  150   HG22  THR  48          HG22      THR  48  -1.326   6.164   4.062
  151   HG23  THR  48          HG23      THR  48  -2.409   7.524   4.354
  152    H    LYS  49           H        LYS  49   0.373   7.656   0.184
  153    HA   LYS  49           HA       LYS  49  -1.115   9.075  -1.737
  154    HB2  LYS  49           HB2      LYS  49   1.528   7.634  -2.137
  155    HB3  LYS  49           HB3      LYS  49   0.884   8.894  -3.190
  156    HG2  LYS  49           HG2      LYS  49   0.819  10.418  -1.170
  157    HG3  LYS  49           HG3      LYS  49   1.708   9.174  -0.289
  158    HD2  LYS  49           HD2      LYS  49   3.606  10.060  -1.117
  159    HD3  LYS  49           HD3      LYS  49   3.101   9.486  -2.706
  160    HE2  LYS  49           HE2      LYS  49   3.454  11.811  -3.006
  161    HE3  LYS  49           HE3      LYS  49   1.705  11.648  -2.846
  162    HZ1  LYS  49           HZ1      LYS  49   1.698  12.666  -0.855
  163    HZ2  LYS  49           HZ2      LYS  49   3.148  13.348  -1.411
  164    HZ3  LYS  49           HZ3      LYS  49   3.187  12.004  -0.373
  165    H    HIS  50           H        HIS  50  -0.072   5.697  -1.710
  166    HA   HIS  50           HA       HIS  50  -0.869   4.905  -4.280
  167    HB2  HIS  50           HB2      HIS  50   0.156   3.176  -3.135
  168    HB3  HIS  50           HB3      HIS  50  -0.674   3.547  -1.624
  169    HD1  HIS  50           HD1      HIS  50  -2.849   3.343  -4.593
  170    HD2  HIS  50           HD2      HIS  50  -1.519   0.735  -1.627
  171    HE1  HIS  50           HE1      HIS  50  -4.376   1.334  -4.674
  172    H    LEU  51           H        LEU  51  -2.855   5.245  -1.330
  173    HA   LEU  51           HA       LEU  51  -5.277   4.336  -2.635
  174    HB2  LEU  51           HB2      LEU  51  -5.548   6.216  -0.364
  175    HB3  LEU  51           HB3      LEU  51  -6.263   4.621  -0.598
  176    HG   LEU  51           HG       LEU  51  -3.375   5.152   0.162
  177   HD11  LEU  51          HD11      LEU  51  -5.046   5.632   1.959
  178   HD12  LEU  51          HD12      LEU  51  -3.997   4.267   2.346
  179   HD13  LEU  51          HD13      LEU  51  -5.648   3.982   1.793
  180   HD21  LEU  51          HD21      LEU  51  -3.147   2.769   0.316
  181   HD22  LEU  51          HD22      LEU  51  -3.903   3.087  -1.246
  182   HD23  LEU  51          HD23      LEU  51  -4.881   2.525   0.109
  183    H    ARG  52           H        ARG  52  -3.909   7.551  -1.909
  184    HA   ARG  52           HA       ARG  52  -6.097   9.006  -3.109
  185    HB2  ARG  52           HB2      ARG  52  -3.274  10.054  -2.986
  186    HB3  ARG  52           HB3      ARG  52  -4.790  10.932  -2.775
  187    HG2  ARG  52           HG2      ARG  52  -4.952   9.094  -0.752
  188    HG3  ARG  52           HG3      ARG  52  -3.215   9.400  -0.805
  189    HD2  ARG  52           HD2      ARG  52  -5.456  11.329  -0.259
  190    HD3  ARG  52           HD3      ARG  52  -3.962  11.080   0.644
  191    HE   ARG  52           HE       ARG  52  -4.286  12.802  -1.695
  192   HH11  ARG  52          HH11      ARG  52  -2.175  10.889   0.247
  193   HH12  ARG  52          HH12      ARG  52  -0.748  11.757  -0.213
  194   HH21  ARG  52          HH21      ARG  52  -2.435  13.948  -2.305
  195   HH22  ARG  52          HH22      ARG  52  -0.896  13.490  -1.657
  196    H    THR  53           H        THR  53  -3.496   7.184  -4.371
  197    HA   THR  53           HA       THR  53  -3.700   8.540  -7.018
  198    HB   THR  53           HB       THR  53  -1.466   7.755  -5.650
  199    HG1  THR  53           HG1      THR  53  -1.814   7.733  -8.465
  200   HG21  THR  53          HG21      THR  53  -1.861   5.598  -7.725
  201   HG22  THR  53          HG22      THR  53  -2.297   5.344  -6.036
  202   HG23  THR  53          HG23      THR  53  -0.626   5.699  -6.470
  203    H    HIS  54           H        HIS  54  -4.969   5.945  -5.320
  204    HA   HIS  54           HA       HIS  54  -5.033   3.686  -6.829
  205    HB2  HIS  54           HB2      HIS  54  -6.881   4.968  -5.070
  206    HB3  HIS  54           HB3      HIS  54  -7.792   4.363  -6.453
  207    HD1  HIS  54           HD1      HIS  54  -6.598   1.769  -7.147
  208    HD2  HIS  54           HD2      HIS  54  -6.879   2.976  -3.167
  209    HE1  HIS  54           HE1      HIS  54  -6.490  -0.341  -5.750
  210    H    GLY  55           H        GLY  55  -7.619   6.043  -7.522
  211    HA2  GLY  55           HA2      GLY  55  -7.129   6.783 -10.114
  212    HA3  GLY  55           HA3      GLY  55  -7.717   5.130 -10.301
  Start of MODEL    2
    1    H1   GLU  29           H1       GLU  29   2.649 -15.564   7.482
    2    H2   GLU  29           H2       GLU  29   4.143 -16.329   7.753
    3    H3   GLU  29           H3       GLU  29   3.645 -15.965   6.170
    4    HA   GLU  29           HA       GLU  29   4.859 -14.257   8.176
    5    HB2  GLU  29           HB2      GLU  29   4.988 -14.835   5.290
    6    HB3  GLU  29           HB3      GLU  29   5.151 -13.124   5.684
    7    HG2  GLU  29           HG2      GLU  29   7.071 -13.470   6.984
    8    HG3  GLU  29           HG3      GLU  29   6.713 -15.180   7.227
    9    H    LYS  30           H        LYS  30   4.494 -11.885   8.015
   10    HA   LYS  30           HA       LYS  30   1.638 -11.283   7.354
   11    HB2  LYS  30           HB2      LYS  30   2.497 -11.177   9.818
   12    HB3  LYS  30           HB3      LYS  30   3.274  -9.679   9.306
   13    HG2  LYS  30           HG2      LYS  30   0.953  -9.038   8.353
   14    HG3  LYS  30           HG3      LYS  30   0.333 -10.338   9.370
   15    HD2  LYS  30           HD2      LYS  30   1.024  -9.277  11.360
   16    HD3  LYS  30           HD3      LYS  30   2.146  -8.215  10.507
   17    HE2  LYS  30           HE2      LYS  30  -0.014  -7.115  11.280
   18    HE3  LYS  30           HE3      LYS  30   0.356  -6.931   9.565
   19    HZ1  LYS  30           HZ1      LYS  30  -1.870  -7.575   9.635
   20    HZ2  LYS  30           HZ2      LYS  30  -1.605  -8.742  10.837
   21    HZ3  LYS  30           HZ3      LYS  30  -1.041  -9.009   9.255
   22    HA   PRO  31           HA       PRO  31   4.138  -8.652   4.556
   23    HB2  PRO  31           HB2      PRO  31   2.446  -8.821   2.432
   24    HB3  PRO  31           HB3      PRO  31   3.646 -10.073   2.805
   25    HG2  PRO  31           HG2      PRO  31   0.718 -10.054   3.282
   26    HG3  PRO  31           HG3      PRO  31   1.788 -11.398   2.849
   27    HD2  PRO  31           HD2      PRO  31   0.839 -10.889   5.418
   28    HD3  PRO  31           HD3      PRO  31   2.269 -11.873   5.040
   29    H    PHE  32           H        PHE  32   2.747  -7.001   2.769
   30    HA   PHE  32           HA       PHE  32   0.630  -5.608   4.274
   31    HB2  PHE  32           HB2      PHE  32   2.296  -3.487   3.620
   32    HB3  PHE  32           HB3      PHE  32   2.087  -4.166   5.235
   33    HD1  PHE  32           HD1      PHE  32   4.079  -4.553   2.094
   34    HD2  PHE  32           HD2      PHE  32   3.882  -5.230   6.332
   35    HE1  PHE  32           HE1      PHE  32   6.440  -5.313   2.083
   36    HE2  PHE  32           HE2      PHE  32   6.242  -5.990   6.321
   37    HZ   PHE  32           HZ       PHE  32   7.521  -6.031   4.196
   38    H    SER  33           H        SER  33  -0.286  -6.557   2.167
   39    HA   SER  33           HA       SER  33   0.277  -4.726  -0.129
   40    HB2  SER  33           HB2      SER  33  -1.373  -7.024  -0.782
   41    HB3  SER  33           HB3      SER  33   0.166  -6.528  -1.478
   42    HG   SER  33           HG       SER  33   1.229  -7.628   0.113
   43    H    CYS  34           H        CYS  34  -1.579  -3.906  -1.309
   44    HA   CYS  34           HA       CYS  34  -3.812  -3.251   0.457
   45    HB2  CYS  34           HB2      CYS  34  -2.892  -1.608  -1.160
   46    HB3  CYS  34           HB3      CYS  34  -3.414  -2.643  -2.488
   47    H    SER  35           H        SER  35  -6.091  -3.342  -0.868
   48    HA   SER  35           HA       SER  35  -6.587  -6.219  -1.203
   49    HB2  SER  35           HB2      SER  35  -8.349  -5.266  -0.029
   50    HB3  SER  35           HB3      SER  35  -8.278  -3.759  -0.940
   51    HG   SER  35           HG       SER  35  -9.804  -5.908  -1.363
   52    H    LEU  36           H        LEU  36  -8.091  -3.661  -3.145
   53    HA   LEU  36           HA       LEU  36  -7.553  -5.285  -5.560
   54    HB2  LEU  36           HB2      LEU  36  -9.833  -4.177  -4.903
   55    HB3  LEU  36           HB3      LEU  36  -9.101  -2.705  -5.542
   56    HG   LEU  36           HG       LEU  36  -9.291  -5.319  -7.066
   57   HD11  LEU  36          HD11      LEU  36 -11.520  -4.561  -6.922
   58   HD12  LEU  36          HD12      LEU  36 -10.949  -3.864  -8.439
   59   HD13  LEU  36          HD13      LEU  36 -11.042  -2.865  -6.988
   60   HD21  LEU  36          HD21      LEU  36  -8.881  -3.522  -8.959
   61   HD22  LEU  36          HD22      LEU  36  -7.516  -4.151  -8.034
   62   HD23  LEU  36          HD23      LEU  36  -8.202  -2.577  -7.634
   63    H    CYS  37           H        CYS  37  -5.335  -4.839  -5.871
   64    HA   CYS  37           HA       CYS  37  -4.469  -2.964  -7.623
   65    HB2  CYS  37           HB2      CYS  37  -3.463  -1.179  -5.970
   66    HB3  CYS  37           HB3      CYS  37  -5.138  -1.027  -6.500
   67    HA   PRO  38           HA       PRO  38  -1.413  -6.076  -6.059
   68    HB2  PRO  38           HB2      PRO  38  -0.373  -5.267  -8.747
   69    HB3  PRO  38           HB3      PRO  38  -0.502  -6.884  -8.027
   70    HG2  PRO  38           HG2      PRO  38  -2.227  -6.023  -9.876
   71    HG3  PRO  38           HG3      PRO  38  -2.721  -7.090  -8.550
   72    HD2  PRO  38           HD2      PRO  38  -3.319  -4.211  -8.958
   73    HD3  PRO  38           HD3      PRO  38  -4.217  -5.430  -8.027
   74    H    GLN  39           H        GLN  39  -0.820  -4.268  -4.509
   75    HA   GLN  39           HA       GLN  39   1.811  -3.152  -5.296
   76    HB2  GLN  39           HB2      GLN  39   1.284  -0.917  -4.633
   77    HB3  GLN  39           HB3      GLN  39  -0.026  -1.421  -5.701
   78    HG2  GLN  39           HG2      GLN  39  -1.371  -0.715  -4.006
   79    HG3  GLN  39           HG3      GLN  39  -0.968  -2.270  -3.278
   80   HE21  GLN  39          HE21      GLN  39   1.832  -1.598  -2.682
   81   HE22  GLN  39          HE22      GLN  39   1.806  -0.459  -1.424
   82    H    ARG  40           H        ARG  40   3.246  -3.137  -3.581
   83    HA   ARG  40           HA       ARG  40   2.124  -3.842  -0.898
   84    HB2  ARG  40           HB2      ARG  40   4.883  -4.703  -1.362
   85    HB3  ARG  40           HB3      ARG  40   3.512  -5.623  -0.740
   86    HG2  ARG  40           HG2      ARG  40   4.149  -6.641  -2.825
   87    HG3  ARG  40           HG3      ARG  40   2.653  -5.755  -3.122
   88    HD2  ARG  40           HD2      ARG  40   3.663  -4.419  -4.628
   89    HD3  ARG  40           HD3      ARG  40   4.959  -4.034  -3.494
   90    HE   ARG  40           HE       ARG  40   5.523  -6.616  -4.411
   91   HH11  ARG  40          HH11      ARG  40   5.012  -3.469  -5.723
   92   HH12  ARG  40          HH12      ARG  40   6.065  -3.716  -7.075
   93   HH21  ARG  40          HH21      ARG  40   6.902  -6.957  -6.169
   94   HH22  ARG  40          HH22      ARG  40   7.134  -5.691  -7.329
   95    H    SER  41           H        SER  41   2.847  -2.582   0.783
   96    HA   SER  41           HA       SER  41   5.255  -0.890   0.350
   97    HB2  SER  41           HB2      SER  41   2.458   0.052   0.918
   98    HB3  SER  41           HB3      SER  41   3.827   0.964   1.547
   99    HG   SER  41           HG       SER  41   2.839   1.167  -0.817
  100    H    ARG  42           H        ARG  42   6.335  -0.357   2.298
  101    HA   ARG  42           HA       ARG  42   5.388  -1.902   4.671
  102    HB2  ARG  42           HB2      ARG  42   7.763  -1.762   5.423
  103    HB3  ARG  42           HB3      ARG  42   7.599  -2.572   3.865
  104    HG2  ARG  42           HG2      ARG  42   8.367  -0.674   2.669
  105    HG3  ARG  42           HG3      ARG  42   8.136   0.393   4.055
  106    HD2  ARG  42           HD2      ARG  42   9.886  -1.669   4.907
  107    HD3  ARG  42           HD3      ARG  42  10.470  -1.130   3.334
  108    HE   ARG  42           HE       ARG  42   9.884   1.182   4.876
  109   HH11  ARG  42          HH11      ARG  42  11.998  -1.541   4.798
  110   HH12  ARG  42          HH12      ARG  42  13.303  -0.718   5.586
  111   HH21  ARG  42          HH21      ARG  42  11.575   2.271   5.906
  112   HH22  ARG  42          HH22      ARG  42  13.064   1.439   6.214
  113    H    ASP  43           H        ASP  43   5.537   1.220   3.468
  114    HA   ASP  43           HA       ASP  43   5.483   2.335   6.244
  115    HB2  ASP  43           HB2      ASP  43   7.114   3.095   3.940
  116    HB3  ASP  43           HB3      ASP  43   6.187   4.452   4.581
  117    H    PHE  44           H        PHE  44   3.701   3.582   6.704
  118    HA   PHE  44           HA       PHE  44   1.370   3.504   5.158
  119    HB2  PHE  44           HB2      PHE  44   1.859   4.416   7.608
  120    HB3  PHE  44           HB3      PHE  44   1.901   5.969   6.772
  121    HD1  PHE  44           HD1      PHE  44  -0.168   2.830   6.757
  122    HD2  PHE  44           HD2      PHE  44  -0.112   7.123   6.609
  123    HE1  PHE  44           HE1      PHE  44  -2.647   2.860   6.686
  124    HE2  PHE  44           HE2      PHE  44  -2.591   7.152   6.538
  125    HZ   PHE  44           HZ       PHE  44  -3.858   5.021   6.577
  126    H    SER  45           H        SER  45   3.980   5.914   5.092
  127    HA   SER  45           HA       SER  45   2.836   7.865   3.448
  128    HB2  SER  45           HB2      SER  45   5.211   7.784   4.445
  129    HB3  SER  45           HB3      SER  45   5.653   6.857   3.015
  130    HG   SER  45           HG       SER  45   4.180   9.175   2.603
  131    H    ALA  46           H        ALA  46   4.771   5.089   2.259
  132    HA   ALA  46           HA       ALA  46   4.049   5.454  -0.482
  133    HB1  ALA  46           HB1      ALA  46   4.651   2.913  -0.572
  134    HB2  ALA  46           HB2      ALA  46   5.112   3.133   1.116
  135    HB3  ALA  46           HB3      ALA  46   5.916   4.066  -0.147
  136    H    MET  47           H        MET  47   2.419   3.927   2.202
  137    HA   MET  47           HA       MET  47   0.511   2.487   0.516
  138    HB2  MET  47           HB2      MET  47   1.301   2.140   3.081
  139    HB3  MET  47           HB3      MET  47  -0.165   3.085   3.348
  140    HG2  MET  47           HG2      MET  47  -1.515   1.493   2.176
  141    HG3  MET  47           HG3      MET  47  -0.097   0.651   1.552
  142    HE1  MET  47           HE1      MET  47  -1.683   2.004   4.757
  143    HE2  MET  47           HE2      MET  47  -1.901   0.555   5.748
  144    HE3  MET  47           HE3      MET  47  -2.778   0.729   4.230
  145    H    THR  48           H        THR  48   0.733   5.634   2.036
  146    HA   THR  48           HA       THR  48  -2.080   6.275   1.869
  147    HB   THR  48           HB       THR  48  -0.991   8.703   1.833
  148    HG1  THR  48           HG1      THR  48   1.100   7.931   1.427
  149   HG21  THR  48          HG21      THR  48  -0.983   8.649   4.237
  150   HG22  THR  48          HG22      THR  48  -0.685   6.910   4.251
  151   HG23  THR  48          HG23      THR  48  -2.238   7.534   3.698
  152    H    LYS  49           H        LYS  49   0.709   7.277  -0.158
  153    HA   LYS  49           HA       LYS  49  -0.748   8.631  -2.151
  154    HB2  LYS  49           HB2      LYS  49   1.831   7.096  -2.146
  155    HB3  LYS  49           HB3      LYS  49   1.158   7.622  -3.689
  156    HG2  LYS  49           HG2      LYS  49   1.128   9.936  -2.949
  157    HG3  LYS  49           HG3      LYS  49   1.635   9.462  -1.328
  158    HD2  LYS  49           HD2      LYS  49   3.687   8.399  -2.528
  159    HD3  LYS  49           HD3      LYS  49   3.230   9.433  -3.882
  160    HE2  LYS  49           HE2      LYS  49   3.088  11.159  -1.726
  161    HE3  LYS  49           HE3      LYS  49   4.480  10.152  -1.327
  162    HZ1  LYS  49           HZ1      LYS  49   4.269  11.116  -4.073
  163    HZ2  LYS  49           HZ2      LYS  49   5.644  10.884  -3.107
  164    HZ3  LYS  49           HZ3      LYS  49   4.672  12.260  -2.883
  165    H    HIS  50           H        HIS  50  -0.184   5.188  -1.673
  166    HA   HIS  50           HA       HIS  50  -1.180   4.188  -4.116
  167    HB2  HIS  50           HB2      HIS  50  -0.341   2.479  -2.810
  168    HB3  HIS  50           HB3      HIS  50  -1.002   3.155  -1.321
  169    HD1  HIS  50           HD1      HIS  50  -3.266   2.784  -4.253
  170    HD2  HIS  50           HD2      HIS  50  -2.366   0.665  -0.777
  171    HE1  HIS  50           HE1      HIS  50  -5.097   1.067  -3.968
  172    H    LEU  51           H        LEU  51  -2.942   5.106  -1.147
  173    HA   LEU  51           HA       LEU  51  -5.526   4.397  -2.256
  174    HB2  LEU  51           HB2      LEU  51  -5.489   6.484  -0.172
  175    HB3  LEU  51           HB3      LEU  51  -6.329   4.934  -0.197
  176    HG   LEU  51           HG       LEU  51  -3.378   5.336   0.377
  177   HD11  LEU  51          HD11      LEU  51  -3.955   4.646   2.649
  178   HD12  LEU  51          HD12      LEU  51  -5.646   4.452   2.186
  179   HD13  LEU  51          HD13      LEU  51  -4.914   6.056   2.201
  180   HD21  LEU  51          HD21      LEU  51  -3.943   2.808   1.153
  181   HD22  LEU  51          HD22      LEU  51  -3.350   3.199  -0.463
  182   HD23  LEU  51          HD23      LEU  51  -5.076   2.962  -0.191
  183    H    ARG  52           H        ARG  52  -3.542   7.306  -2.176
  184    HA   ARG  52           HA       ARG  52  -5.648   8.990  -3.320
  185    HB2  ARG  52           HB2      ARG  52  -3.230   9.468  -2.004
  186    HB3  ARG  52           HB3      ARG  52  -2.918   9.967  -3.667
  187    HG2  ARG  52           HG2      ARG  52  -4.750  11.500  -3.653
  188    HG3  ARG  52           HG3      ARG  52  -5.387  10.831  -2.150
  189    HD2  ARG  52           HD2      ARG  52  -3.675  11.789  -0.851
  190    HD3  ARG  52           HD3      ARG  52  -2.623  12.025  -2.247
  191    HE   ARG  52           HE       ARG  52  -3.803  14.028  -2.749
  192   HH11  ARG  52          HH11      ARG  52  -5.331  12.118  -0.320
  193   HH12  ARG  52          HH12      ARG  52  -6.463  13.351   0.127
  194   HH21  ARG  52          HH21      ARG  52  -5.272  15.650  -2.179
  195   HH22  ARG  52          HH22      ARG  52  -6.430  15.351  -0.927
  196    H    THR  53           H        THR  53  -3.151   6.871  -4.457
  197    HA   THR  53           HA       THR  53  -3.300   7.950  -7.212
  198    HB   THR  53           HB       THR  53  -1.191   6.932  -5.887
  199    HG1  THR  53           HG1      THR  53  -1.417   6.164  -8.561
  200   HG21  THR  53          HG21      THR  53  -2.539   4.708  -5.799
  201   HG22  THR  53          HG22      THR  53  -0.836   4.639  -6.249
  202   HG23  THR  53          HG23      THR  53  -2.081   4.547  -7.494
  203    H    HIS  54           H        HIS  54  -4.902   5.710  -5.262
  204    HA   HIS  54           HA       HIS  54  -5.485   3.435  -6.603
  205    HB2  HIS  54           HB2      HIS  54  -6.961   5.163  -4.864
  206    HB3  HIS  54           HB3      HIS  54  -8.047   4.612  -6.139
  207    HD1  HIS  54           HD1      HIS  54  -7.162   1.794  -6.647
  208    HD2  HIS  54           HD2      HIS  54  -7.348   3.370  -2.793
  209    HE1  HIS  54           HE1      HIS  54  -7.372  -0.181  -5.076
  210    H    GLY  55           H        GLY  55  -7.805   6.020  -7.316
  211    HA2  GLY  55           HA2      GLY  55  -7.602   5.244 -10.196
  212    HA3  GLY  55           HA3      GLY  55  -9.074   5.850  -9.438
  Start of MODEL    3
    1    H1   GLU  29           H1       GLU  29   4.091  -2.569   8.985
    2    H2   GLU  29           H2       GLU  29   3.816  -4.164   8.470
    3    H3   GLU  29           H3       GLU  29   3.984  -2.916   7.328
    4    HA   GLU  29           HA       GLU  29   6.250  -2.737   7.621
    5    HB2  GLU  29           HB2      GLU  29   7.417  -3.413   9.585
    6    HB3  GLU  29           HB3      GLU  29   5.935  -2.653  10.165
    7    HG2  GLU  29           HG2      GLU  29   4.888  -4.944  10.259
    8    HG3  GLU  29           HG3      GLU  29   6.476  -5.622   9.894
    9    H    LYS  30           H        LYS  30   4.326  -5.612   8.208
   10    HA   LYS  30           HA       LYS  30   6.415  -7.345   7.026
   11    HB2  LYS  30           HB2      LYS  30   4.390  -9.046   7.379
   12    HB3  LYS  30           HB3      LYS  30   5.412  -8.550   8.728
   13    HG2  LYS  30           HG2      LYS  30   3.781  -7.226   9.658
   14    HG3  LYS  30           HG3      LYS  30   3.080  -6.809   8.094
   15    HD2  LYS  30           HD2      LYS  30   2.121  -9.074   7.913
   16    HD3  LYS  30           HD3      LYS  30   2.821  -9.496   9.477
   17    HE2  LYS  30           HE2      LYS  30   1.197  -8.409  10.623
   18    HE3  LYS  30           HE3      LYS  30   1.250  -7.017   9.540
   19    HZ1  LYS  30           HZ1      LYS  30  -0.656  -7.753   8.711
   20    HZ2  LYS  30           HZ2      LYS  30  -0.548  -9.223   9.550
   21    HZ3  LYS  30           HZ3      LYS  30   0.201  -9.055   8.035
   22    HA   PRO  31           HA       PRO  31   5.068  -7.499   2.849
   23    HB2  PRO  31           HB2      PRO  31   4.378 -10.376   3.296
   24    HB3  PRO  31           HB3      PRO  31   5.370  -9.639   2.022
   25    HG2  PRO  31           HG2      PRO  31   6.449 -10.936   4.104
   26    HG3  PRO  31           HG3      PRO  31   7.234  -9.544   3.339
   27    HD2  PRO  31           HD2      PRO  31   5.925  -9.724   5.991
   28    HD3  PRO  31           HD3      PRO  31   7.148  -8.573   5.410
   29    H    PHE  32           H        PHE  32   3.136  -6.544   2.327
   30    HA   PHE  32           HA       PHE  32   0.641  -8.067   2.808
   31    HB2  PHE  32           HB2      PHE  32   1.331  -6.124   4.603
   32    HB3  PHE  32           HB3      PHE  32   0.404  -5.188   3.430
   33    HD1  PHE  32           HD1      PHE  32  -1.710  -6.771   2.490
   34    HD2  PHE  32           HD2      PHE  32   0.041  -6.815   6.412
   35    HE1  PHE  32           HE1      PHE  32  -3.819  -7.686   3.421
   36    HE2  PHE  32           HE2      PHE  32  -2.067  -7.729   7.344
   37    HZ   PHE  32           HZ       PHE  32  -3.997  -8.164   5.848
   38    H    SER  33           H        SER  33  -0.723  -7.866   1.076
   39    HA   SER  33           HA       SER  33   0.041  -5.886  -1.019
   40    HB2  SER  33           HB2      SER  33  -1.752  -7.483  -2.260
   41    HB3  SER  33           HB3      SER  33  -0.033  -7.863  -2.178
   42    HG   SER  33           HG       SER  33  -1.037  -8.719   0.064
   43    H    CYS  34           H        CYS  34  -1.659  -4.634  -2.041
   44    HA   CYS  34           HA       CYS  34  -3.681  -3.728  -0.169
   45    HB2  CYS  34           HB2      CYS  34  -2.641  -2.195  -1.799
   46    HB3  CYS  34           HB3      CYS  34  -3.349  -3.122  -3.123
   47    H    SER  35           H        SER  35  -6.036  -3.447  -1.249
   48    HA   SER  35           HA       SER  35  -7.021  -6.181  -1.584
   49    HB2  SER  35           HB2      SER  35  -8.286  -3.469  -1.323
   50    HB3  SER  35           HB3      SER  35  -9.249  -4.826  -1.901
   51    HG   SER  35           HG       SER  35  -9.100  -4.389   0.480
   52    H    LEU  36           H        LEU  36  -7.919  -3.303  -3.505
   53    HA   LEU  36           HA       LEU  36  -7.864  -5.057  -5.916
   54    HB2  LEU  36           HB2      LEU  36 -10.004  -3.919  -5.440
   55    HB3  LEU  36           HB3      LEU  36  -9.184  -2.358  -5.489
   56    HG   LEU  36           HG       LEU  36  -8.518  -2.792  -7.835
   57   HD11  LEU  36          HD11      LEU  36  -9.893  -5.394  -7.244
   58   HD12  LEU  36          HD12      LEU  36  -8.380  -5.104  -8.103
   59   HD13  LEU  36          HD13      LEU  36  -9.922  -4.758  -8.888
   60   HD21  LEU  36          HD21      LEU  36 -10.825  -1.803  -7.049
   61   HD22  LEU  36          HD22      LEU  36 -11.477  -3.309  -7.697
   62   HD23  LEU  36          HD23      LEU  36 -10.590  -2.206  -8.749
   63    H    CYS  37           H        CYS  37  -5.629  -4.915  -6.381
   64    HA   CYS  37           HA       CYS  37  -4.647  -3.156  -8.194
   65    HB2  CYS  37           HB2      CYS  37  -3.281  -1.555  -6.600
   66    HB3  CYS  37           HB3      CYS  37  -4.941  -1.155  -7.039
   67    HA   PRO  38           HA       PRO  38  -1.850  -6.605  -7.011
   68    HB2  PRO  38           HB2      PRO  38  -0.801  -5.754  -9.677
   69    HB3  PRO  38           HB3      PRO  38  -1.147  -7.384  -9.067
   70    HG2  PRO  38           HG2      PRO  38  -2.767  -6.152 -10.796
   71    HG3  PRO  38           HG3      PRO  38  -3.382  -7.233  -9.534
   72    HD2  PRO  38           HD2      PRO  38  -3.540  -4.267  -9.704
   73    HD3  PRO  38           HD3      PRO  38  -4.620  -5.412  -8.876
   74    H    GLN  39           H        GLN  39  -0.970  -5.006  -5.376
   75    HA   GLN  39           HA       GLN  39   1.763  -4.232  -6.153
   76    HB2  GLN  39           HB2      GLN  39   1.577  -1.927  -5.628
   77    HB3  GLN  39           HB3      GLN  39   0.163  -2.264  -6.628
   78    HG2  GLN  39           HG2      GLN  39  -1.154  -2.637  -4.514
   79    HG3  GLN  39           HG3      GLN  39   0.251  -2.077  -3.606
   80   HE21  GLN  39          HE21      GLN  39   0.353  -0.379  -6.459
   81   HE22  GLN  39          HE22      GLN  39  -0.512   1.007  -5.994
   82    H    ARG  40           H        ARG  40   3.153  -4.256  -4.378
   83    HA   ARG  40           HA       ARG  40   1.880  -4.953  -1.761
   84    HB2  ARG  40           HB2      ARG  40   4.235  -5.988  -1.345
   85    HB3  ARG  40           HB3      ARG  40   3.113  -6.854  -2.395
   86    HG2  ARG  40           HG2      ARG  40   4.789  -4.838  -3.760
   87    HG3  ARG  40           HG3      ARG  40   5.670  -6.219  -3.104
   88    HD2  ARG  40           HD2      ARG  40   4.047  -7.739  -4.255
   89    HD3  ARG  40           HD3      ARG  40   3.310  -6.322  -5.003
   90    HE   ARG  40           HE       ARG  40   5.983  -6.082  -5.667
   91   HH11  ARG  40          HH11      ARG  40   3.578  -8.543  -5.889
   92   HH12  ARG  40          HH12      ARG  40   4.243  -9.250  -7.323
   93   HH21  ARG  40          HH21      ARG  40   6.866  -6.991  -7.539
   94   HH22  ARG  40          HH22      ARG  40   6.105  -8.372  -8.257
   95    H    SER  41           H        SER  41   2.546  -3.805   0.056
   96    HA   SER  41           HA       SER  41   4.591  -1.670  -0.416
   97    HB2  SER  41           HB2      SER  41   3.112  -0.592   1.562
   98    HB3  SER  41           HB3      SER  41   2.746  -0.330  -0.141
   99    HG   SER  41           HG       SER  41   1.716  -2.663   0.832
  100    H    ARG  42           H        ARG  42   5.449  -0.853   1.814
  101    HA   ARG  42           HA       ARG  42   5.889  -3.249   3.552
  102    HB2  ARG  42           HB2      ARG  42   8.013  -1.710   4.150
  103    HB3  ARG  42           HB3      ARG  42   8.034  -2.860   2.813
  104    HG2  ARG  42           HG2      ARG  42   7.812  -1.207   1.202
  105    HG3  ARG  42           HG3      ARG  42   6.994  -0.098   2.305
  106    HD2  ARG  42           HD2      ARG  42   8.952   0.757   3.102
  107    HD3  ARG  42           HD3      ARG  42   9.763  -0.809   3.068
  108    HE   ARG  42           HE       ARG  42  10.545  -0.293   0.899
  109   HH11  ARG  42          HH11      ARG  42   7.946   1.748   1.878
  110   HH12  ARG  42          HH12      ARG  42   8.078   2.798   0.507
  111   HH21  ARG  42          HH21      ARG  42  10.733   1.067  -0.898
  112   HH22  ARG  42          HH22      ARG  42   9.657   2.413  -1.063
  113    H    ASP  43           H        ASP  43   6.289   0.304   3.837
  114    HA   ASP  43           HA       ASP  43   5.218   0.113   6.598
  115    HB2  ASP  43           HB2      ASP  43   7.348   1.482   5.702
  116    HB3  ASP  43           HB3      ASP  43   6.112   2.715   5.451
  117    H    PHE  44           H        PHE  44   3.902   2.316   7.119
  118    HA   PHE  44           HA       PHE  44   1.492   2.125   5.477
  119    HB2  PHE  44           HB2      PHE  44   1.804   2.610   8.085
  120    HB3  PHE  44           HB3      PHE  44   1.824   4.281   7.520
  121    HD1  PHE  44           HD1      PHE  44  -0.081   1.142   6.709
  122    HD2  PHE  44           HD2      PHE  44  -0.239   5.349   7.559
  123    HE1  PHE  44           HE1      PHE  44  -2.550   1.096   6.480
  124    HE2  PHE  44           HE2      PHE  44  -2.707   5.304   7.330
  125    HZ   PHE  44           HZ       PHE  44  -3.863   3.177   6.790
  126    H    SER  45           H        SER  45   4.078   4.497   5.994
  127    HA   SER  45           HA       SER  45   3.022   6.725   4.673
  128    HB2  SER  45           HB2      SER  45   5.263   6.683   5.739
  129    HB3  SER  45           HB3      SER  45   5.856   5.662   4.432
  130    HG   SER  45           HG       SER  45   5.986   8.172   4.407
  131    H    ALA  46           H        ALA  46   4.769   3.979   3.183
  132    HA   ALA  46           HA       ALA  46   4.307   4.905   0.482
  133    HB1  ALA  46           HB1      ALA  46   5.002   2.578  -0.142
  134    HB2  ALA  46           HB2      ALA  46   5.015   2.162   1.571
  135    HB3  ALA  46           HB3      ALA  46   6.142   3.368   0.948
  136    H    MET  47           H        MET  47   2.645   2.641   2.651
  137    HA   MET  47           HA       MET  47   0.742   1.710   0.704
  138    HB2  MET  47           HB2      MET  47   1.336   0.798   3.103
  139    HB3  MET  47           HB3      MET  47   0.073   1.913   3.626
  140    HG2  MET  47           HG2      MET  47  -1.495   0.864   2.009
  141    HG3  MET  47           HG3      MET  47  -0.235  -0.284   1.558
  142    HE1  MET  47           HE1      MET  47  -3.244  -0.682   2.730
  143    HE2  MET  47           HE2      MET  47  -3.048   0.640   3.889
  144    HE3  MET  47           HE3      MET  47  -3.355  -0.998   4.460
  145    H    THR  48           H        THR  48   0.877   4.511   2.830
  146    HA   THR  48           HA       THR  48  -1.874   5.296   2.554
  147    HB   THR  48           HB       THR  48  -0.706   7.657   2.980
  148    HG1  THR  48           HG1      THR  48   1.377   6.701   2.559
  149   HG21  THR  48          HG21      THR  48  -0.356   6.614   5.459
  150   HG22  THR  48          HG22      THR  48  -1.342   5.349   4.725
  151   HG23  THR  48          HG23      THR  48  -1.939   7.007   4.788
  152    H    LYS  49           H        LYS  49   1.079   6.410   0.851
  153    HA   LYS  49           HA       LYS  49  -0.153   8.180  -0.960
  154    HB2  LYS  49           HB2      LYS  49   2.151   6.286  -1.533
  155    HB3  LYS  49           HB3      LYS  49   1.753   7.735  -2.455
  156    HG2  LYS  49           HG2      LYS  49   2.553   7.656   0.471
  157    HG3  LYS  49           HG3      LYS  49   3.564   8.213  -0.862
  158    HD2  LYS  49           HD2      LYS  49   1.452   9.779  -1.325
  159    HD3  LYS  49           HD3      LYS  49   1.201   9.530   0.404
  160    HE2  LYS  49           HE2      LYS  49   3.702  10.138   0.659
  161    HE3  LYS  49           HE3      LYS  49   3.578  10.768  -0.984
  162    HZ1  LYS  49           HZ1      LYS  49   3.147  12.400   0.855
  163    HZ2  LYS  49           HZ2      LYS  49   1.712  11.556   1.177
  164    HZ3  LYS  49           HZ3      LYS  49   1.937  12.301  -0.333
  165    H    HIS  50           H        HIS  50   0.249   4.671  -1.120
  166    HA   HIS  50           HA       HIS  50  -0.745   4.172  -3.696
  167    HB2  HIS  50           HB2      HIS  50  -0.032   2.223  -2.686
  168    HB3  HIS  50           HB3      HIS  50  -0.714   2.663  -1.120
  169    HD1  HIS  50           HD1      HIS  50  -2.940   2.961  -4.070
  170    HD2  HIS  50           HD2      HIS  50  -2.144   0.133  -1.114
  171    HE1  HIS  50           HE1      HIS  50  -4.834   1.292  -4.151
  172    H    LEU  51           H        LEU  51  -2.556   4.702  -0.664
  173    HA   LEU  51           HA       LEU  51  -5.137   4.334  -1.949
  174    HB2  LEU  51           HB2      LEU  51  -5.035   6.020   0.478
  175    HB3  LEU  51           HB3      LEU  51  -6.001   4.582   0.145
  176    HG   LEU  51           HG       LEU  51  -3.051   4.595   0.850
  177   HD11  LEU  51          HD11      LEU  51  -4.098   4.993   2.888
  178   HD12  LEU  51          HD12      LEU  51  -4.137   3.231   2.838
  179   HD13  LEU  51          HD13      LEU  51  -5.575   4.157   2.410
  180   HD21  LEU  51          HD21      LEU  51  -4.891   2.207   0.689
  181   HD22  LEU  51          HD22      LEU  51  -3.129   2.232   0.708
  182   HD23  LEU  51          HD23      LEU  51  -4.003   2.771  -0.726
  183    H    ARG  52           H        ARG  52  -3.119   7.135  -1.103
  184    HA   ARG  52           HA       ARG  52  -5.047   9.087  -2.037
  185    HB2  ARG  52           HB2      ARG  52  -2.938   9.387  -0.484
  186    HB3  ARG  52           HB3      ARG  52  -2.087   9.605  -2.014
  187    HG2  ARG  52           HG2      ARG  52  -4.089  11.253  -2.533
  188    HG3  ARG  52           HG3      ARG  52  -4.222  11.306  -0.775
  189    HD2  ARG  52           HD2      ARG  52  -2.033  12.168  -0.521
  190    HD3  ARG  52           HD3      ARG  52  -1.572  11.713  -2.161
  191    HE   ARG  52           HE       ARG  52  -3.677  13.527  -2.471
  192   HH11  ARG  52          HH11      ARG  52  -0.577  13.418  -0.968
  193   HH12  ARG  52          HH12      ARG  52  -0.265  15.108  -1.185
  194   HH21  ARG  52          HH21      ARG  52  -3.288  15.733  -2.764
  195   HH22  ARG  52          HH22      ARG  52  -1.800  16.419  -2.204
  196    H    THR  53           H        THR  53  -2.871   6.932  -3.563
  197    HA   THR  53           HA       THR  53  -2.898   8.517  -6.084
  198    HB   THR  53           HB       THR  53  -0.825   7.196  -4.921
  199    HG1  THR  53           HG1      THR  53  -1.038   7.113  -7.714
  200   HG21  THR  53          HG21      THR  53  -2.208   5.043  -5.387
  201   HG22  THR  53          HG22      THR  53  -0.498   5.045  -5.813
  202   HG23  THR  53          HG23      THR  53  -1.719   5.275  -7.064
  203    H    HIS  54           H        HIS  54  -4.647   6.130  -4.527
  204    HA   HIS  54           HA       HIS  54  -5.223   4.098  -6.292
  205    HB2  HIS  54           HB2      HIS  54  -6.608   5.396  -4.155
  206    HB3  HIS  54           HB3      HIS  54  -7.755   5.154  -5.472
  207    HD1  HIS  54           HD1      HIS  54  -6.998   2.522  -6.639
  208    HD2  HIS  54           HD2      HIS  54  -6.881   3.182  -2.525
  209    HE1  HIS  54           HE1      HIS  54  -7.145   0.243  -5.545
  210    H    GLY  55           H        GLY  55  -5.680   4.091  -8.434
  211    HA2  GLY  55           HA2      GLY  55  -6.152   5.047 -10.559
  212    HA3  GLY  55           HA3      GLY  55  -7.735   5.241  -9.804
  Start of MODEL    4
    1    H1   GLU  29           H1       GLU  29   9.421 -11.162   2.136
    2    H2   GLU  29           H2       GLU  29  10.469 -10.473   3.282
    3    H3   GLU  29           H3       GLU  29   9.291  -9.515   2.519
    4    HA   GLU  29           HA       GLU  29   8.610 -11.836   4.228
    5    HB2  GLU  29           HB2      GLU  29   8.789  -8.899   4.971
    6    HB3  GLU  29           HB3      GLU  29   8.140 -10.175   6.001
    7    HG2  GLU  29           HG2      GLU  29  10.446 -11.334   5.602
    8    HG3  GLU  29           HG3      GLU  29  10.983  -9.722   5.127
    9    H    LYS  30           H        LYS  30   6.332 -11.016   5.253
   10    HA   LYS  30           HA       LYS  30   4.704 -10.133   2.904
   11    HB2  LYS  30           HB2      LYS  30   3.866 -11.877   5.241
   12    HB3  LYS  30           HB3      LYS  30   2.866 -11.451   3.851
   13    HG2  LYS  30           HG2      LYS  30   5.535 -12.750   3.400
   14    HG3  LYS  30           HG3      LYS  30   4.155 -13.744   3.868
   15    HD2  LYS  30           HD2      LYS  30   2.960 -13.236   1.922
   16    HD3  LYS  30           HD3      LYS  30   3.874 -11.756   1.631
   17    HE2  LYS  30           HE2      LYS  30   5.562 -14.150   1.660
   18    HE3  LYS  30           HE3      LYS  30   4.335 -14.191   0.395
   19    HZ1  LYS  30           HZ1      LYS  30   5.935 -13.014  -0.670
   20    HZ2  LYS  30           HZ2      LYS  30   6.576 -12.352   0.754
   21    HZ3  LYS  30           HZ3      LYS  30   5.144 -11.719   0.093
   22    HA   PRO  31           HA       PRO  31   4.143  -6.885   6.106
   23    HB2  PRO  31           HB2      PRO  31   4.225  -4.774   4.395
   24    HB3  PRO  31           HB3      PRO  31   5.689  -5.547   5.031
   25    HG2  PRO  31           HG2      PRO  31   4.423  -5.802   2.361
   26    HG3  PRO  31           HG3      PRO  31   6.136  -5.813   2.809
   27    HD2  PRO  31           HD2      PRO  31   4.627  -8.086   2.242
   28    HD3  PRO  31           HD3      PRO  31   6.151  -8.080   3.157
   29    H    PHE  32           H        PHE  32   2.535  -4.803   5.775
   30    HA   PHE  32           HA       PHE  32  -0.080  -5.977   5.318
   31    HB2  PHE  32           HB2      PHE  32   0.986  -3.610   6.552
   32    HB3  PHE  32           HB3      PHE  32  -0.283  -3.142   5.420
   33    HD1  PHE  32           HD1      PHE  32  -2.387  -4.865   5.463
   34    HD2  PHE  32           HD2      PHE  32   0.303  -4.090   8.721
   35    HE1  PHE  32           HE1      PHE  32  -4.109  -5.643   7.070
   36    HE2  PHE  32           HE2      PHE  32  -1.419  -4.866  10.328
   37    HZ   PHE  32           HZ       PHE  32  -3.624  -5.643   9.503
   38    H    SER  33           H        SER  33  -1.120  -6.088   3.391
   39    HA   SER  33           HA       SER  33  -0.108  -4.389   1.157
   40    HB2  SER  33           HB2      SER  33  -2.028  -6.406   0.360
   41    HB3  SER  33           HB3      SER  33  -0.353  -6.209  -0.149
   42    HG   SER  33           HG       SER  33   0.301  -7.391   1.614
   43    H    CYS  34           H        CYS  34  -1.941  -3.758  -0.441
   44    HA   CYS  34           HA       CYS  34  -3.939  -2.287   1.084
   45    HB2  CYS  34           HB2      CYS  34  -2.936  -1.372  -0.992
   46    HB3  CYS  34           HB3      CYS  34  -3.699  -2.666  -1.916
   47    H    SER  35           H        SER  35  -6.304  -2.406  -0.024
   48    HA   SER  35           HA       SER  35  -7.201  -5.162   0.505
   49    HB2  SER  35           HB2      SER  35  -8.741  -3.781   1.497
   50    HB3  SER  35           HB3      SER  35  -8.456  -2.471   0.355
   51    HG   SER  35           HG       SER  35 -10.492  -3.406   0.014
   52    H    LEU  36           H        LEU  36  -8.216  -2.836  -2.027
   53    HA   LEU  36           HA       LEU  36  -8.264  -5.150  -3.919
   54    HB2  LEU  36           HB2      LEU  36 -10.451  -4.071  -3.546
   55    HB3  LEU  36           HB3      LEU  36  -9.771  -2.521  -4.042
   56    HG   LEU  36           HG       LEU  36  -9.312  -3.378  -6.270
   57   HD11  LEU  36          HD11      LEU  36  -8.734  -5.616  -6.100
   58   HD12  LEU  36          HD12      LEU  36 -10.396  -5.773  -6.670
   59   HD13  LEU  36          HD13      LEU  36 -10.028  -5.971  -4.956
   60   HD21  LEU  36          HD21      LEU  36 -11.525  -2.501  -6.069
   61   HD22  LEU  36          HD22      LEU  36 -12.090  -3.930  -5.205
   62   HD23  LEU  36          HD23      LEU  36 -11.705  -4.034  -6.922
   63    H    CYS  37           H        CYS  37  -6.086  -4.987  -4.610
   64    HA   CYS  37           HA       CYS  37  -5.375  -3.689  -6.869
   65    HB2  CYS  37           HB2      CYS  37  -4.086  -1.620  -5.890
   66    HB3  CYS  37           HB3      CYS  37  -5.812  -1.485  -6.225
   67    HA   PRO  38           HA       PRO  38  -2.125  -6.473  -5.318
   68    HB2  PRO  38           HB2      PRO  38  -1.112  -5.718  -8.031
   69    HB3  PRO  38           HB3      PRO  38  -1.225  -7.320  -7.274
   70    HG2  PRO  38           HG2      PRO  38  -2.963  -6.520  -9.135
   71    HG3  PRO  38           HG3      PRO  38  -3.446  -7.553  -7.779
   72    HD2  PRO  38           HD2      PRO  38  -4.050  -4.683  -8.254
   73    HD3  PRO  38           HD3      PRO  38  -4.954  -5.885  -7.308
   74    H    GLN  39           H        GLN  39  -1.528  -4.635  -3.813
   75    HA   GLN  39           HA       GLN  39   1.063  -3.475  -4.675
   76    HB2  GLN  39           HB2      GLN  39  -0.170  -1.555  -5.108
   77    HB3  GLN  39           HB3      GLN  39  -1.382  -1.934  -3.885
   78    HG2  GLN  39           HG2      GLN  39  -0.097  -1.097  -2.149
   79    HG3  GLN  39           HG3      GLN  39   1.424  -1.418  -2.983
   80   HE21  GLN  39          HE21      GLN  39  -1.162   0.165  -4.755
   81   HE22  GLN  39          HE22      GLN  39  -0.457   1.709  -4.782
   82    H    ARG  40           H        ARG  40   2.531  -3.345  -2.979
   83    HA   ARG  40           HA       ARG  40   1.496  -4.146  -0.287
   84    HB2  ARG  40           HB2      ARG  40   4.300  -4.697  -1.257
   85    HB3  ARG  40           HB3      ARG  40   3.426  -5.466   0.068
   86    HG2  ARG  40           HG2      ARG  40   2.869  -7.095  -1.391
   87    HG3  ARG  40           HG3      ARG  40   1.812  -5.914  -2.167
   88    HD2  ARG  40           HD2      ARG  40   3.612  -5.225  -3.661
   89    HD3  ARG  40           HD3      ARG  40   4.742  -6.298  -2.838
   90    HE   ARG  40           HE       ARG  40   3.608  -8.192  -3.835
   91   HH11  ARG  40          HH11      ARG  40   2.347  -5.092  -4.674
   92   HH12  ARG  40          HH12      ARG  40   1.465  -5.677  -6.043
   93   HH21  ARG  40          HH21      ARG  40   2.462  -8.969  -5.618
   94   HH22  ARG  40          HH22      ARG  40   1.529  -7.871  -6.578
   95    H    SER  41           H        SER  41   2.210  -2.919   1.458
   96    HA   SER  41           HA       SER  41   4.306  -0.872   0.953
   97    HB2  SER  41           HB2      SER  41   2.845   0.832   2.099
   98    HB3  SER  41           HB3      SER  41   2.248   0.322   0.522
   99    HG   SER  41           HG       SER  41   0.594  -0.606   1.454
  100    H    ARG  42           H        ARG  42   4.948   0.190   3.085
  101    HA   ARG  42           HA       ARG  42   4.543  -1.683   5.378
  102    HB2  ARG  42           HB2      ARG  42   6.871  -1.606   4.002
  103    HB3  ARG  42           HB3      ARG  42   7.164  -0.300   5.152
  104    HG2  ARG  42           HG2      ARG  42   6.666  -1.790   7.024
  105    HG3  ARG  42           HG3      ARG  42   6.265  -3.095   5.908
  106    HD2  ARG  42           HD2      ARG  42   8.813  -2.195   5.121
  107    HD3  ARG  42           HD3      ARG  42   8.864  -2.271   6.881
  108    HE   ARG  42           HE       ARG  42   8.308  -4.576   5.079
  109   HH11  ARG  42          HH11      ARG  42   8.884  -3.195   8.190
  110   HH12  ARG  42          HH12      ARG  42   9.187  -4.719   8.954
  111   HH21  ARG  42          HH21      ARG  42   8.700  -6.569   6.062
  112   HH22  ARG  42          HH22      ARG  42   9.084  -6.628   7.750
  113    H    ASP  43           H        ASP  43   5.734   1.556   4.439
  114    HA   ASP  43           HA       ASP  43   4.921   2.566   7.114
  115    HB2  ASP  43           HB2      ASP  43   7.189   3.078   5.833
  116    HB3  ASP  43           HB3      ASP  43   6.201   4.301   5.034
  117    H    PHE  44           H        PHE  44   3.257   4.072   7.336
  118    HA   PHE  44           HA       PHE  44   1.141   4.110   5.486
  119    HB2  PHE  44           HB2      PHE  44   1.374   5.023   7.983
  120    HB3  PHE  44           HB3      PHE  44   1.595   6.556   7.141
  121    HD1  PHE  44           HD1      PHE  44  -0.638   3.539   7.117
  122    HD2  PHE  44           HD2      PHE  44  -0.290   7.776   6.494
  123    HE1  PHE  44           HE1      PHE  44  -3.083   3.684   6.731
  124    HE2  PHE  44           HE2      PHE  44  -2.735   7.919   6.109
  125    HZ   PHE  44           HZ       PHE  44  -4.131   5.873   6.226
  126    H    SER  45           H        SER  45   4.058   6.047   5.570
  127    HA   SER  45           HA       SER  45   3.267   8.193   3.894
  128    HB2  SER  45           HB2      SER  45   5.393   8.597   4.644
  129    HB3  SER  45           HB3      SER  45   5.830   6.891   4.632
  130    HG   SER  45           HG       SER  45   6.935   7.970   2.995
  131    H    ALA  46           H        ALA  46   4.503   4.957   3.055
  132    HA   ALA  46           HA       ALA  46   4.274   5.494   0.184
  133    HB1  ALA  46           HB1      ALA  46   4.583   2.782   1.485
  134    HB2  ALA  46           HB2      ALA  46   5.943   3.890   1.302
  135    HB3  ALA  46           HB3      ALA  46   5.102   3.282  -0.124
  136    H    MET  47           H        MET  47   2.402   3.815   2.677
  137    HA   MET  47           HA       MET  47   0.503   2.629   0.862
  138    HB2  MET  47           HB2      MET  47   0.858   1.943   3.268
  139    HB3  MET  47           HB3      MET  47   0.025   3.422   3.747
  140    HG2  MET  47           HG2      MET  47  -1.656   2.304   1.826
  141    HG3  MET  47           HG3      MET  47  -1.090   0.916   2.754
  142    HE1  MET  47           HE1      MET  47  -2.939   0.875   5.841
  143    HE2  MET  47           HE2      MET  47  -1.204   0.846   5.500
  144    HE3  MET  47           HE3      MET  47  -2.334   0.054   4.404
  145    H    THR  48           H        THR  48   0.895   5.822   2.184
  146    HA   THR  48           HA       THR  48  -1.837   6.691   1.775
  147    HB   THR  48           HB       THR  48  -0.689   9.009   1.791
  148    HG1  THR  48           HG1      THR  48   1.411   9.042   2.168
  149   HG21  THR  48          HG21      THR  48   0.100   8.273   4.333
  150   HG22  THR  48          HG22      THR  48  -1.064   7.017   3.910
  151   HG23  THR  48          HG23      THR  48  -1.542   8.714   3.866
  152    H    LYS  49           H        LYS  49   1.178   7.269  -0.087
  153    HA   LYS  49           HA       LYS  49   0.028   8.630  -2.264
  154    HB2  LYS  49           HB2      LYS  49   2.369   6.747  -2.034
  155    HB3  LYS  49           HB3      LYS  49   1.880   7.361  -3.614
  156    HG2  LYS  49           HG2      LYS  49   1.983   9.474  -1.600
  157    HG3  LYS  49           HG3      LYS  49   3.541   8.671  -1.803
  158    HD2  LYS  49           HD2      LYS  49   1.940   9.509  -4.211
  159    HD3  LYS  49           HD3      LYS  49   2.961  10.676  -3.368
  160    HE2  LYS  49           HE2      LYS  49   4.931   9.524  -3.879
  161    HE3  LYS  49           HE3      LYS  49   4.085   7.998  -4.143
  162    HZ1  LYS  49           HZ1      LYS  49   4.912   9.397  -6.151
  163    HZ2  LYS  49           HZ2      LYS  49   3.495  10.289  -5.884
  164    HZ3  LYS  49           HZ3      LYS  49   3.399   8.626  -6.220
  165    H    HIS  50           H        HIS  50   0.148   5.193  -1.517
  166    HA   HIS  50           HA       HIS  50  -0.798   4.110  -3.933
  167    HB2  HIS  50           HB2      HIS  50  -0.315   2.420  -2.449
  168    HB3  HIS  50           HB3      HIS  50  -0.928   3.325  -1.063
  169    HD1  HIS  50           HD1      HIS  50  -3.003   2.865  -4.145
  170    HD2  HIS  50           HD2      HIS  50  -2.759   1.272  -0.302
  171    HE1  HIS  50           HE1      HIS  50  -5.108   1.514  -3.799
  172    H    LEU  51           H        LEU  51  -2.679   5.425  -1.181
  173    HA   LEU  51           HA       LEU  51  -5.236   4.968  -2.437
  174    HB2  LEU  51           HB2      LEU  51  -5.015   7.285  -0.605
  175    HB3  LEU  51           HB3      LEU  51  -6.114   5.906  -0.549
  176    HG   LEU  51           HG       LEU  51  -3.188   5.854   0.251
  177   HD11  LEU  51          HD11      LEU  51  -4.291   5.341   2.524
  178   HD12  LEU  51          HD12      LEU  51  -5.771   5.981   1.809
  179   HD13  LEU  51          HD13      LEU  51  -4.349   7.012   1.963
  180   HD21  LEU  51          HD21      LEU  51  -3.523   3.573   0.830
  181   HD22  LEU  51          HD22      LEU  51  -4.278   3.742  -0.756
  182   HD23  LEU  51          HD23      LEU  51  -5.276   3.714   0.697
  183    H    ARG  52           H        ARG  52  -2.900   7.611  -2.503
  184    HA   ARG  52           HA       ARG  52  -4.664   9.375  -4.031
  185    HB2  ARG  52           HB2      ARG  52  -1.652   9.569  -3.765
  186    HB3  ARG  52           HB3      ARG  52  -2.787  10.871  -4.125
  187    HG2  ARG  52           HG2      ARG  52  -3.845  10.123  -1.804
  188    HG3  ARG  52           HG3      ARG  52  -2.212   9.523  -1.516
  189    HD2  ARG  52           HD2      ARG  52  -2.507  11.864  -0.720
  190    HD3  ARG  52           HD3      ARG  52  -1.281  11.736  -1.982
  191    HE   ARG  52           HE       ARG  52  -3.869  12.318  -3.121
  192   HH11  ARG  52          HH11      ARG  52  -1.188  13.621  -1.391
  193   HH12  ARG  52          HH12      ARG  52  -1.415  15.232  -1.986
  194   HH21  ARG  52          HH21      ARG  52  -4.181  14.414  -3.910
  195   HH22  ARG  52          HH22      ARG  52  -3.110  15.680  -3.414
  196    H    THR  53           H        THR  53  -2.452   6.800  -4.663
  197    HA   THR  53           HA       THR  53  -2.180   7.498  -7.522
  198    HB   THR  53           HB       THR  53  -0.500   6.202  -5.779
  199    HG1  THR  53           HG1      THR  53  -0.158   7.068  -7.950
  200   HG21  THR  53          HG21      THR  53  -2.176   4.256  -5.883
  201   HG22  THR  53          HG22      THR  53  -0.488   3.864  -6.208
  202   HG23  THR  53          HG23      THR  53  -1.629   4.023  -7.542
  203    H    HIS  54           H        HIS  54  -4.286   5.783  -5.474
  204    HA   HIS  54           HA       HIS  54  -5.174   3.539  -6.760
  205    HB2  HIS  54           HB2      HIS  54  -6.379   5.533  -5.074
  206    HB3  HIS  54           HB3      HIS  54  -7.535   5.064  -6.319
  207    HD1  HIS  54           HD1      HIS  54  -6.948   2.123  -6.678
  208    HD2  HIS  54           HD2      HIS  54  -7.058   3.924  -2.921
  209    HE1  HIS  54           HE1      HIS  54  -7.417   0.273  -5.013
  210    H    GLY  55           H        GLY  55  -5.563   3.117  -8.877
  211    HA2  GLY  55           HA2      GLY  55  -7.414   4.504 -10.494
  212    HA3  GLY  55           HA3      GLY  55  -5.822   5.165 -10.867
  Start of MODEL    5
    1    H1   GLU  29           H1       GLU  29   5.740 -14.291   3.874
    2    H2   GLU  29           H2       GLU  29   6.062 -14.773   5.472
    3    H3   GLU  29           H3       GLU  29   7.335 -14.610   4.359
    4    HA   GLU  29           HA       GLU  29   6.596 -12.726   6.137
    5    HB2  GLU  29           HB2      GLU  29   8.722 -12.654   5.062
    6    HB3  GLU  29           HB3      GLU  29   7.992 -12.554   3.460
    7    HG2  GLU  29           HG2      GLU  29   7.454 -10.316   3.688
    8    HG3  GLU  29           HG3      GLU  29   7.324 -10.419   5.445
    9    H    LYS  30           H        LYS  30   4.448 -12.052   6.244
   10    HA   LYS  30           HA       LYS  30   3.372 -10.712   3.795
   11    HB2  LYS  30           HB2      LYS  30   1.526 -11.444   6.005
   12    HB3  LYS  30           HB3      LYS  30   1.281 -11.527   4.261
   13    HG2  LYS  30           HG2      LYS  30   2.830 -13.487   4.181
   14    HG3  LYS  30           HG3      LYS  30   2.922 -13.444   5.942
   15    HD2  LYS  30           HD2      LYS  30   0.294 -13.501   5.792
   16    HD3  LYS  30           HD3      LYS  30   0.597 -14.167   4.186
   17    HE2  LYS  30           HE2      LYS  30   1.795 -15.265   6.746
   18    HE3  LYS  30           HE3      LYS  30   0.372 -15.932   5.945
   19    HZ1  LYS  30           HZ1      LYS  30   2.948 -16.616   5.430
   20    HZ2  LYS  30           HZ2      LYS  30   2.586 -15.545   4.166
   21    HZ3  LYS  30           HZ3      LYS  30   1.622 -16.922   4.413
   22    HA   PRO  31           HA       PRO  31   4.006  -7.307   6.765
   23    HB2  PRO  31           HB2      PRO  31   4.426  -5.384   4.880
   24    HB3  PRO  31           HB3      PRO  31   5.695  -6.498   5.423
   25    HG2  PRO  31           HG2      PRO  31   4.093  -6.526   2.931
   26    HG3  PRO  31           HG3      PRO  31   5.774  -7.008   3.203
   27    HD2  PRO  31           HD2      PRO  31   3.632  -8.773   2.980
   28    HD3  PRO  31           HD3      PRO  31   5.194  -9.160   3.734
   29    H    PHE  32           H        PHE  32   2.872  -5.411   4.126
   30    HA   PHE  32           HA       PHE  32   0.058  -5.551   5.067
   31    HB2  PHE  32           HB2      PHE  32   1.864  -3.146   5.183
   32    HB3  PHE  32           HB3      PHE  32   0.127  -2.939   4.959
   33    HD1  PHE  32           HD1      PHE  32   2.716  -4.381   7.206
   34    HD2  PHE  32           HD2      PHE  32  -1.409  -3.272   6.756
   35    HE1  PHE  32           HE1      PHE  32   2.358  -4.727   9.635
   36    HE2  PHE  32           HE2      PHE  32  -1.767  -3.618   9.186
   37    HZ   PHE  32           HZ       PHE  32   0.117  -4.346  10.626
   38    H    SER  33           H        SER  33  -0.944  -6.071   3.173
   39    HA   SER  33           HA       SER  33  -0.062  -4.664   0.691
   40    HB2  SER  33           HB2      SER  33  -1.044  -6.487  -0.547
   41    HB3  SER  33           HB3      SER  33  -0.052  -7.192   0.727
   42    HG   SER  33           HG       SER  33  -1.910  -7.539   1.930
   43    H    CYS  34           H        CYS  34  -1.880  -4.075  -0.826
   44    HA   CYS  34           HA       CYS  34  -4.001  -2.728   0.699
   45    HB2  CYS  34           HB2      CYS  34  -2.795  -1.685  -1.270
   46    HB3  CYS  34           HB3      CYS  34  -3.645  -2.831  -2.308
   47    H    SER  35           H        SER  35  -6.262  -2.836  -0.648
   48    HA   SER  35           HA       SER  35  -7.068  -5.667  -0.431
   49    HB2  SER  35           HB2      SER  35  -9.348  -4.376  -1.113
   50    HB3  SER  35           HB3      SER  35  -8.759  -4.473   0.544
   51    HG   SER  35           HG       SER  35  -7.970  -2.425  -1.244
   52    H    LEU  36           H        LEU  36  -8.198  -3.235  -2.782
   53    HA   LEU  36           HA       LEU  36  -7.926  -5.318  -4.889
   54    HB2  LEU  36           HB2      LEU  36 -10.143  -4.344  -4.738
   55    HB3  LEU  36           HB3      LEU  36  -9.476  -2.712  -4.801
   56    HG   LEU  36           HG       LEU  36  -8.689  -3.062  -7.070
   57   HD11  LEU  36          HD11      LEU  36  -9.525  -5.339  -8.124
   58   HD12  LEU  36          HD12      LEU  36  -9.437  -5.901  -6.455
   59   HD13  LEU  36          HD13      LEU  36  -7.994  -5.275  -7.251
   60   HD21  LEU  36          HD21      LEU  36 -10.750  -2.854  -8.072
   61   HD22  LEU  36          HD22      LEU  36 -11.282  -2.761  -6.393
   62   HD23  LEU  36          HD23      LEU  36 -11.398  -4.286  -7.271
   63    H    CYS  37           H        CYS  37  -5.689  -5.101  -5.309
   64    HA   CYS  37           HA       CYS  37  -4.750  -3.572  -7.347
   65    HB2  CYS  37           HB2      CYS  37  -3.538  -1.673  -5.975
   66    HB3  CYS  37           HB3      CYS  37  -5.205  -1.447  -6.501
   67    HA   PRO  38           HA       PRO  38  -1.818  -6.646  -5.592
   68    HB2  PRO  38           HB2      PRO  38  -0.719  -6.101  -8.319
   69    HB3  PRO  38           HB3      PRO  38  -0.974  -7.651  -7.495
   70    HG2  PRO  38           HG2      PRO  38  -2.613  -6.798  -9.420
   71    HG3  PRO  38           HG3      PRO  38  -3.201  -7.724  -8.029
   72    HD2  PRO  38           HD2      PRO  38  -3.543  -4.833  -8.638
   73    HD3  PRO  38           HD3      PRO  38  -4.574  -5.915  -7.675
   74    H    GLN  39           H        GLN  39  -1.092  -4.802  -4.160
   75    HA   GLN  39           HA       GLN  39   1.631  -3.999  -4.911
   76    HB2  GLN  39           HB2      GLN  39   1.332  -1.719  -5.056
   77    HB3  GLN  39           HB3      GLN  39  -0.232  -2.236  -5.684
   78    HG2  GLN  39           HG2      GLN  39  -1.136  -2.106  -3.336
   79    HG3  GLN  39           HG3      GLN  39   0.399  -1.389  -2.845
   80   HE21  GLN  39          HE21      GLN  39  -2.619  -0.776  -4.529
   81   HE22  GLN  39          HE22      GLN  39  -2.333   0.869  -4.838
   82    H    ARG  40           H        ARG  40   2.841  -3.241  -3.053
   83    HA   ARG  40           HA       ARG  40   1.440  -3.593  -0.439
   84    HB2  ARG  40           HB2      ARG  40   4.223  -4.636  -1.020
   85    HB3  ARG  40           HB3      ARG  40   3.246  -4.925   0.421
   86    HG2  ARG  40           HG2      ARG  40   1.520  -5.978  -1.179
   87    HG3  ARG  40           HG3      ARG  40   2.823  -5.997  -2.369
   88    HD2  ARG  40           HD2      ARG  40   2.486  -7.621   0.091
   89    HD3  ARG  40           HD3      ARG  40   3.265  -8.038  -1.435
   90    HE   ARG  40           HE       ARG  40   4.559  -6.746   0.870
   91   HH11  ARG  40          HH11      ARG  40   4.578  -7.535  -2.486
   92   HH12  ARG  40          HH12      ARG  40   6.296  -7.378  -2.650
   93   HH21  ARG  40          HH21      ARG  40   6.802  -6.536   0.675
   94   HH22  ARG  40          HH22      ARG  40   7.554  -6.812  -0.859
   95    H    SER  41           H        SER  41   2.442  -2.411   1.319
   96    HA   SER  41           HA       SER  41   4.426  -0.358   0.433
   97    HB2  SER  41           HB2      SER  41   2.323   0.346   2.447
   98    HB3  SER  41           HB3      SER  41   3.191   1.393   1.328
   99    HG   SER  41           HG       SER  41   1.350  -0.603   0.511
  100    H    ARG  42           H        ARG  42   5.237   0.821   2.580
  101    HA   ARG  42           HA       ARG  42   5.677  -1.285   4.658
  102    HB2  ARG  42           HB2      ARG  42   7.700   0.724   3.616
  103    HB3  ARG  42           HB3      ARG  42   7.983  -0.443   4.908
  104    HG2  ARG  42           HG2      ARG  42   8.074  -2.236   3.462
  105    HG3  ARG  42           HG3      ARG  42   6.961  -1.496   2.309
  106    HD2  ARG  42           HD2      ARG  42   8.799   0.176   1.777
  107    HD3  ARG  42           HD3      ARG  42   9.886  -0.836   2.728
  108    HE   ARG  42           HE       ARG  42   8.718  -2.595   0.920
  109   HH11  ARG  42          HH11      ARG  42  10.444   0.388   0.794
  110   HH12  ARG  42          HH12      ARG  42  11.164   0.060  -0.746
  111   HH21  ARG  42          HH21      ARG  42   9.650  -3.040  -1.093
  112   HH22  ARG  42          HH22      ARG  42  10.715  -1.880  -1.814
  113    H    ASP  43           H        ASP  43   5.785   2.221   3.981
  114    HA   ASP  43           HA       ASP  43   5.061   2.666   6.851
  115    HB2  ASP  43           HB2      ASP  43   7.225   3.695   5.445
  116    HB3  ASP  43           HB3      ASP  43   6.045   5.007   5.392
  117    H    PHE  44           H        PHE  44   3.178   3.795   7.248
  118    HA   PHE  44           HA       PHE  44   1.062   3.967   5.525
  119    HB2  PHE  44           HB2      PHE  44   1.343   4.795   8.025
  120    HB3  PHE  44           HB3      PHE  44   1.529   6.370   7.254
  121    HD1  PHE  44           HD1      PHE  44  -0.685   3.341   7.147
  122    HD2  PHE  44           HD2      PHE  44  -0.382   7.606   6.732
  123    HE1  PHE  44           HE1      PHE  44  -3.142   3.487   6.848
  124    HE2  PHE  44           HE2      PHE  44  -2.839   7.751   6.433
  125    HZ   PHE  44           HZ       PHE  44  -4.220   5.692   6.490
  126    H    SER  45           H        SER  45   3.778   6.229   5.671
  127    HA   SER  45           HA       SER  45   2.831   8.302   4.042
  128    HB2  SER  45           HB2      SER  45   5.082   8.873   3.661
  129    HB3  SER  45           HB3      SER  45   5.156   7.976   5.175
  130    HG   SER  45           HG       SER  45   6.118   6.360   4.181
  131    H    ALA  46           H        ALA  46   4.612   5.405   2.899
  132    HA   ALA  46           HA       ALA  46   4.053   5.933   0.123
  133    HB1  ALA  46           HB1      ALA  46   5.223   3.986  -0.308
  134    HB2  ALA  46           HB2      ALA  46   4.527   3.138   1.072
  135    HB3  ALA  46           HB3      ALA  46   5.811   4.322   1.319
  136    H    MET  47           H        MET  47   2.401   4.092   2.641
  137    HA   MET  47           HA       MET  47   0.558   2.730   0.909
  138    HB2  MET  47           HB2      MET  47   1.055   2.294   3.410
  139    HB3  MET  47           HB3      MET  47  -0.090   3.598   3.725
  140    HG2  MET  47           HG2      MET  47  -1.466   2.093   1.891
  141    HG3  MET  47           HG3      MET  47  -0.589   0.850   2.785
  142    HE1  MET  47           HE1      MET  47  -4.076   0.640   4.388
  143    HE2  MET  47           HE2      MET  47  -2.667  -0.282   3.845
  144    HE3  MET  47           HE3      MET  47  -3.532   0.760   2.717
  145    H    THR  48           H        THR  48   0.481   5.895   2.512
  146    HA   THR  48           HA       THR  48  -2.235   6.532   1.874
  147    HB   THR  48           HB       THR  48  -0.982   8.961   1.854
  148    HG1  THR  48           HG1      THR  48   0.964   7.460   2.233
  149   HG21  THR  48          HG21      THR  48  -2.718   8.644   3.383
  150   HG22  THR  48          HG22      THR  48  -1.313   8.753   4.445
  151   HG23  THR  48          HG23      THR  48  -1.996   7.176   4.046
  152    H    LYS  49           H        LYS  49   0.811   7.367   0.180
  153    HA   LYS  49           HA       LYS  49  -0.317   8.759  -1.993
  154    HB2  LYS  49           HB2      LYS  49   2.015   6.820  -2.134
  155    HB3  LYS  49           HB3      LYS  49   1.686   8.148  -3.247
  156    HG2  LYS  49           HG2      LYS  49   1.677   9.459  -0.846
  157    HG3  LYS  49           HG3      LYS  49   2.888   8.210  -0.553
  158    HD2  LYS  49           HD2      LYS  49   4.048   8.871  -2.649
  159    HD3  LYS  49           HD3      LYS  49   2.868  10.162  -2.872
  160    HE2  LYS  49           HE2      LYS  49   3.651  10.646  -0.311
  161    HE3  LYS  49           HE3      LYS  49   5.144   9.993  -0.987
  162    HZ1  LYS  49           HZ1      LYS  49   4.536  11.609  -2.932
  163    HZ2  LYS  49           HZ2      LYS  49   5.348  12.176  -1.556
  164    HZ3  LYS  49           HZ3      LYS  49   3.674  12.422  -1.714
  165    H    HIS  50           H        HIS  50   0.154   5.282  -1.519
  166    HA   HIS  50           HA       HIS  50  -0.711   4.335  -4.017
  167    HB2  HIS  50           HB2      HIS  50   0.029   2.619  -2.650
  168    HB3  HIS  50           HB3      HIS  50  -0.782   3.267  -1.225
  169    HD1  HIS  50           HD1      HIS  50  -2.851   3.043  -4.273
  170    HD2  HIS  50           HD2      HIS  50  -2.057   0.644  -0.959
  171    HE1  HIS  50           HE1      HIS  50  -4.659   1.278  -4.222
  172    H    LEU  51           H        LEU  51  -2.668   5.272  -1.178
  173    HA   LEU  51           HA       LEU  51  -5.176   4.618  -2.497
  174    HB2  LEU  51           HB2      LEU  51  -5.332   6.651  -0.387
  175    HB3  LEU  51           HB3      LEU  51  -6.100   5.067  -0.478
  176    HG   LEU  51           HG       LEU  51  -3.188   5.513   0.234
  177   HD11  LEU  51          HD11      LEU  51  -5.501   4.785   2.051
  178   HD12  LEU  51          HD12      LEU  51  -4.813   6.405   1.932
  179   HD13  LEU  51          HD13      LEU  51  -3.827   5.070   2.530
  180   HD21  LEU  51          HD21      LEU  51  -4.986   3.072   0.385
  181   HD22  LEU  51          HD22      LEU  51  -3.311   3.141   0.932
  182   HD23  LEU  51          HD23      LEU  51  -3.686   3.319  -0.781
  183    H    ARG  52           H        ARG  52  -3.241   7.558  -2.070
  184    HA   ARG  52           HA       ARG  52  -5.201   9.283  -3.352
  185    HB2  ARG  52           HB2      ARG  52  -3.732  10.498  -2.001
  186    HB3  ARG  52           HB3      ARG  52  -2.329   9.557  -2.508
  187    HG2  ARG  52           HG2      ARG  52  -2.229  10.648  -4.621
  188    HG3  ARG  52           HG3      ARG  52  -3.841  11.339  -4.426
  189    HD2  ARG  52           HD2      ARG  52  -1.374  12.045  -2.808
  190    HD3  ARG  52           HD3      ARG  52  -2.170  13.068  -4.003
  191    HE   ARG  52           HE       ARG  52  -4.116  12.382  -2.065
  192   HH11  ARG  52          HH11      ARG  52  -1.122  14.067  -2.361
  193   HH12  ARG  52          HH12      ARG  52  -1.476  15.190  -1.090
  194   HH21  ARG  52          HH21      ARG  52  -4.597  13.839  -0.407
  195   HH22  ARG  52          HH22      ARG  52  -3.444  15.061   0.015
  196    H    THR  53           H        THR  53  -2.853   7.026  -4.426
  197    HA   THR  53           HA       THR  53  -2.820   8.201  -7.163
  198    HB   THR  53           HB       THR  53  -0.750   7.196  -5.740
  199    HG1  THR  53           HG1      THR  53  -1.070   6.758  -8.519
  200   HG21  THR  53          HG21      THR  53  -2.021   4.935  -5.821
  201   HG22  THR  53          HG22      THR  53  -0.303   4.931  -6.215
  202   HG23  THR  53          HG23      THR  53  -1.505   4.871  -7.505
  203    H    HIS  54           H        HIS  54  -4.471   5.930  -5.307
  204    HA   HIS  54           HA       HIS  54  -4.920   3.644  -6.696
  205    HB2  HIS  54           HB2      HIS  54  -6.500   5.277  -4.976
  206    HB3  HIS  54           HB3      HIS  54  -7.528   4.782  -6.320
  207    HD1  HIS  54           HD1      HIS  54  -6.719   1.998  -6.925
  208    HD2  HIS  54           HD2      HIS  54  -6.865   3.386  -2.997
  209    HE1  HIS  54           HE1      HIS  54  -6.943  -0.049  -5.451
  210    H    GLY  55           H        GLY  55  -4.665   3.565  -8.913
  211    HA2  GLY  55           HA2      GLY  55  -5.097   3.983 -11.185
  212    HA3  GLY  55           HA3      GLY  55  -6.773   4.149 -10.659
  Start of MODEL    6
    1    H1   GLU  29           H1       GLU  29   4.761 -12.535  10.354
    2    H2   GLU  29           H2       GLU  29   5.719 -13.003   9.031
    3    H3   GLU  29           H3       GLU  29   4.032 -12.890   8.864
    4    HA   GLU  29           HA       GLU  29   4.409 -10.431   9.567
    5    HB2  GLU  29           HB2      GLU  29   6.752 -10.078   8.128
    6    HB3  GLU  29           HB3      GLU  29   6.612 -10.007   9.885
    7    HG2  GLU  29           HG2      GLU  29   7.046 -12.448  10.000
    8    HG3  GLU  29           HG3      GLU  29   7.252 -12.478   8.248
    9    H    LYS  30           H        LYS  30   2.637 -11.224   7.982
   10    HA   LYS  30           HA       LYS  30   3.145 -11.634   5.225
   11    HB2  LYS  30           HB2      LYS  30   0.822 -10.776   6.864
   12    HB3  LYS  30           HB3      LYS  30   0.759 -10.344   5.155
   13    HG2  LYS  30           HG2      LYS  30  -0.248 -12.508   5.328
   14    HG3  LYS  30           HG3      LYS  30   1.359 -12.768   4.648
   15    HD2  LYS  30           HD2      LYS  30   1.886 -12.892   7.333
   16    HD3  LYS  30           HD3      LYS  30   0.269 -13.594   7.262
   17    HE2  LYS  30           HE2      LYS  30   1.026 -15.170   5.519
   18    HE3  LYS  30           HE3      LYS  30   2.643 -14.469   5.589
   19    HZ1  LYS  30           HZ1      LYS  30   2.321 -15.010   8.133
   20    HZ2  LYS  30           HZ2      LYS  30   2.912 -16.168   7.043
   21    HZ3  LYS  30           HZ3      LYS  30   1.277 -16.196   7.507
   22    HA   PRO  31           HA       PRO  31   4.474  -7.652   3.851
   23    HB2  PRO  31           HB2      PRO  31   3.701  -7.773   1.232
   24    HB3  PRO  31           HB3      PRO  31   5.083  -8.678   1.880
   25    HG2  PRO  31           HG2      PRO  31   2.331  -9.613   1.261
   26    HG3  PRO  31           HG3      PRO  31   3.882 -10.441   1.050
   27    HD2  PRO  31           HD2      PRO  31   2.159 -10.949   3.138
   28    HD3  PRO  31           HD3      PRO  31   3.914 -11.216   3.220
   29    H    PHE  32           H        PHE  32   3.573  -5.632   4.009
   30    HA   PHE  32           HA       PHE  32   0.758  -5.250   4.307
   31    HB2  PHE  32           HB2      PHE  32   3.166  -3.580   4.287
   32    HB3  PHE  32           HB3      PHE  32   1.755  -2.755   3.620
   33    HD1  PHE  32           HD1      PHE  32   3.185  -4.376   6.608
   34    HD2  PHE  32           HD2      PHE  32  -0.210  -2.302   4.988
   35    HE1  PHE  32           HE1      PHE  32   2.296  -4.039   8.899
   36    HE2  PHE  32           HE2      PHE  32  -1.098  -1.966   7.278
   37    HZ   PHE  32           HZ       PHE  32   0.155  -2.834   9.235
   38    H    SER  33           H        SER  33   0.279  -6.503   2.192
   39    HA   SER  33           HA       SER  33   0.607  -4.896  -0.259
   40    HB2  SER  33           HB2      SER  33  -0.580  -6.816  -1.338
   41    HB3  SER  33           HB3      SER  33   0.862  -7.313  -0.456
   42    HG   SER  33           HG       SER  33  -0.411  -8.053   1.187
   43    H    CYS  34           H        CYS  34  -1.232  -4.137  -1.497
   44    HA   CYS  34           HA       CYS  34  -3.382  -3.129   0.203
   45    HB2  CYS  34           HB2      CYS  34  -2.416  -1.817  -1.695
   46    HB3  CYS  34           HB3      CYS  34  -3.110  -2.990  -2.814
   47    H    SER  35           H        SER  35  -5.702  -3.298  -1.041
   48    HA   SER  35           HA       SER  35  -6.288  -6.197  -1.024
   49    HB2  SER  35           HB2      SER  35  -7.711  -4.644   0.293
   50    HB3  SER  35           HB3      SER  35  -8.165  -3.819  -1.194
   51    HG   SER  35           HG       SER  35  -8.466  -6.517  -1.366
   52    H    LEU  36           H        LEU  36  -7.360  -3.457  -3.082
   53    HA   LEU  36           HA       LEU  36  -7.361  -5.370  -5.379
   54    HB2  LEU  36           HB2      LEU  36  -9.401  -3.760  -4.480
   55    HB3  LEU  36           HB3      LEU  36  -8.686  -2.766  -5.749
   56    HG   LEU  36           HG       LEU  36  -9.483  -5.667  -6.102
   57   HD11  LEU  36          HD11      LEU  36 -11.121  -4.172  -7.720
   58   HD12  LEU  36          HD12      LEU  36 -11.000  -3.147  -6.289
   59   HD13  LEU  36          HD13      LEU  36 -11.585  -4.805  -6.140
   60   HD21  LEU  36          HD21      LEU  36  -7.627  -4.675  -7.546
   61   HD22  LEU  36          HD22      LEU  36  -8.843  -3.571  -8.191
   62   HD23  LEU  36          HD23      LEU  36  -9.017  -5.309  -8.428
   63    H    CYS  37           H        CYS  37  -5.157  -5.101  -5.945
   64    HA   CYS  37           HA       CYS  37  -4.335  -3.442  -7.896
   65    HB2  CYS  37           HB2      CYS  37  -3.142  -1.541  -6.553
   66    HB3  CYS  37           HB3      CYS  37  -4.860  -1.378  -6.907
   67    HA   PRO  38           HA       PRO  38  -1.209  -6.462  -6.413
   68    HB2  PRO  38           HB2      PRO  38  -0.231  -5.703  -9.138
   69    HB3  PRO  38           HB3      PRO  38  -0.374  -7.309  -8.398
   70    HG2  PRO  38           HG2      PRO  38  -2.125  -6.447 -10.214
   71    HG3  PRO  38           HG3      PRO  38  -2.616  -7.470  -8.853
   72    HD2  PRO  38           HD2      PRO  38  -3.120  -4.571  -9.296
   73    HD3  PRO  38           HD3      PRO  38  -4.063  -5.753  -8.359
   74    H    GLN  39           H        GLN  39  -0.605  -4.560  -4.930
   75    HA   GLN  39           HA       GLN  39   2.064  -3.579  -5.741
   76    HB2  GLN  39           HB2      GLN  39   1.598  -1.273  -5.303
   77    HB3  GLN  39           HB3      GLN  39   0.315  -1.831  -6.376
   78    HG2  GLN  39           HG2      GLN  39  -1.144  -2.212  -4.401
   79    HG3  GLN  39           HG3      GLN  39   0.131  -1.580  -3.359
   80   HE21  GLN  39          HE21      GLN  39  -1.768  -0.600  -6.270
   81   HE22  GLN  39          HE22      GLN  39  -1.838   1.042  -5.849
   82    H    ARG  40           H        ARG  40   3.415  -3.199  -3.947
   83    HA   ARG  40           HA       ARG  40   2.205  -3.831  -1.284
   84    HB2  ARG  40           HB2      ARG  40   4.778  -4.766  -2.549
   85    HB3  ARG  40           HB3      ARG  40   4.585  -4.746  -0.796
   86    HG2  ARG  40           HG2      ARG  40   2.759  -6.274  -0.874
   87    HG3  ARG  40           HG3      ARG  40   2.569  -6.073  -2.617
   88    HD2  ARG  40           HD2      ARG  40   5.225  -6.887  -2.303
   89    HD3  ARG  40           HD3      ARG  40   4.327  -7.876  -1.153
   90    HE   ARG  40           HE       ARG  40   3.148  -8.875  -2.983
   91   HH11  ARG  40          HH11      ARG  40   5.237  -6.288  -3.892
   92   HH12  ARG  40          HH12      ARG  40   5.168  -6.651  -5.585
   93   HH21  ARG  40          HH21      ARG  40   3.047  -9.365  -5.188
   94   HH22  ARG  40          HH22      ARG  40   3.928  -8.393  -6.318
   95    H    SER  41           H        SER  41   2.926  -2.567   0.456
   96    HA   SER  41           HA       SER  41   4.901  -0.423  -0.202
   97    HB2  SER  41           HB2      SER  41   3.492   1.111   1.223
   98    HB3  SER  41           HB3      SER  41   2.725   0.624  -0.285
   99    HG   SER  41           HG       SER  41   2.217  -0.213   2.353
  100    H    ARG  42           H        ARG  42   5.110   0.786   2.238
  101    HA   ARG  42           HA       ARG  42   5.464  -1.326   4.280
  102    HB2  ARG  42           HB2      ARG  42   7.616  -0.378   2.650
  103    HB3  ARG  42           HB3      ARG  42   7.861   0.232   4.288
  104    HG2  ARG  42           HG2      ARG  42   7.602  -2.041   5.191
  105    HG3  ARG  42           HG3      ARG  42   7.316  -2.663   3.566
  106    HD2  ARG  42           HD2      ARG  42   9.773  -2.582   4.752
  107    HD3  ARG  42           HD3      ARG  42   9.523  -2.579   3.007
  108    HE   ARG  42           HE       ARG  42   9.416   0.074   3.526
  109   HH11  ARG  42          HH11      ARG  42  11.496  -2.433   4.660
  110   HH12  ARG  42          HH12      ARG  42  12.860  -1.388   4.870
  111   HH21  ARG  42          HH21      ARG  42  11.188   1.453   3.795
  112   HH22  ARG  42          HH22      ARG  42  12.687   0.812   4.380
  113    H    ASP  43           H        ASP  43   6.107   2.113   3.512
  114    HA   ASP  43           HA       ASP  43   5.401   2.780   6.328
  115    HB2  ASP  43           HB2      ASP  43   7.185   3.937   4.302
  116    HB3  ASP  43           HB3      ASP  43   6.186   5.138   5.120
  117    H    PHE  44           H        PHE  44   3.573   3.981   6.782
  118    HA   PHE  44           HA       PHE  44   1.348   4.020   5.130
  119    HB2  PHE  44           HB2      PHE  44   1.787   4.905   7.632
  120    HB3  PHE  44           HB3      PHE  44   1.737   6.458   6.797
  121    HD1  PHE  44           HD1      PHE  44  -0.116   3.190   6.622
  122    HD2  PHE  44           HD2      PHE  44  -0.350   7.478   6.747
  123    HE1  PHE  44           HE1      PHE  44  -2.590   3.058   6.522
  124    HE2  PHE  44           HE2      PHE  44  -2.824   7.345   6.647
  125    HZ   PHE  44           HZ       PHE  44  -3.944   5.135   6.534
  126    H    SER  45           H        SER  45   3.936   6.450   5.278
  127    HA   SER  45           HA       SER  45   2.865   8.437   3.624
  128    HB2  SER  45           HB2      SER  45   4.942   9.153   4.203
  129    HB3  SER  45           HB3      SER  45   5.562   7.510   4.339
  130    HG   SER  45           HG       SER  45   5.524   7.517   1.972
  131    H    ALA  46           H        ALA  46   4.445   5.394   2.657
  132    HA   ALA  46           HA       ALA  46   3.988   5.979  -0.190
  133    HB1  ALA  46           HB1      ALA  46   5.522   4.038   1.378
  134    HB2  ALA  46           HB2      ALA  46   5.813   4.641  -0.255
  135    HB3  ALA  46           HB3      ALA  46   4.696   3.301   0.006
  136    H    MET  47           H        MET  47   2.558   4.026   2.375
  137    HA   MET  47           HA       MET  47   0.787   2.559   0.597
  138    HB2  MET  47           HB2      MET  47   1.547   1.941   3.008
  139    HB3  MET  47           HB3      MET  47   0.256   3.025   3.527
  140    HG2  MET  47           HG2      MET  47  -1.415   1.716   2.438
  141    HG3  MET  47           HG3      MET  47  -0.210   0.796   1.538
  142    HE1  MET  47           HE1      MET  47  -1.891   1.739   4.586
  143    HE2  MET  47           HE2      MET  47  -1.622   0.488   5.807
  144    HE3  MET  47           HE3      MET  47  -2.667   0.165   4.426
  145    H    THR  48           H        THR  48   0.726   5.672   2.146
  146    HA   THR  48           HA       THR  48  -2.161   6.019   1.968
  147    HB   THR  48           HB       THR  48  -1.586   8.442   2.377
  148    HG1  THR  48           HG1      THR  48   0.507   8.985   2.623
  149   HG21  THR  48          HG21      THR  48  -1.823   7.766   4.505
  150   HG22  THR  48          HG22      THR  48  -0.096   7.414   4.553
  151   HG23  THR  48          HG23      THR  48  -1.239   6.155   4.087
  152    H    LYS  49           H        LYS  49   0.620   7.297   0.101
  153    HA   LYS  49           HA       LYS  49  -0.821   8.753  -1.825
  154    HB2  LYS  49           HB2      LYS  49   1.712   7.112  -2.089
  155    HB3  LYS  49           HB3      LYS  49   1.087   8.118  -3.395
  156    HG2  LYS  49           HG2      LYS  49   1.056   9.704  -1.034
  157    HG3  LYS  49           HG3      LYS  49   2.634   8.921  -1.112
  158    HD2  LYS  49           HD2      LYS  49   2.863   9.692  -3.473
  159    HD3  LYS  49           HD3      LYS  49   1.334  10.556  -3.310
  160    HE2  LYS  49           HE2      LYS  49   2.261  11.921  -1.503
  161    HE3  LYS  49           HE3      LYS  49   3.776  11.021  -1.572
  162    HZ1  LYS  49           HZ1      LYS  49   3.146  13.268  -3.008
  163    HZ2  LYS  49           HZ2      LYS  49   3.022  12.005  -4.134
  164    HZ3  LYS  49           HZ3      LYS  49   4.468  12.235  -3.274
  165    H    HIS  50           H        HIS  50  -0.168   5.289  -1.613
  166    HA   HIS  50           HA       HIS  50  -1.147   4.455  -4.118
  167    HB2  HIS  50           HB2      HIS  50  -0.217   2.725  -2.856
  168    HB3  HIS  50           HB3      HIS  50  -1.074   3.200  -1.389
  169    HD1  HIS  50           HD1      HIS  50  -3.277   3.194  -4.288
  170    HD2  HIS  50           HD2      HIS  50  -2.003   0.358  -1.512
  171    HE1  HIS  50           HE1      HIS  50  -4.915   1.278  -4.427
  172    H    LEU  51           H        LEU  51  -2.955   5.010  -1.075
  173    HA   LEU  51           HA       LEU  51  -5.512   4.437  -2.332
  174    HB2  LEU  51           HB2      LEU  51  -5.668   6.182   0.003
  175    HB3  LEU  51           HB3      LEU  51  -6.303   4.551  -0.218
  176    HG   LEU  51           HG       LEU  51  -3.396   5.169   0.379
  177   HD11  LEU  51          HD11      LEU  51  -4.340   5.711   2.412
  178   HD12  LEU  51          HD12      LEU  51  -4.245   3.960   2.605
  179   HD13  LEU  51          HD13      LEU  51  -5.768   4.715   2.133
  180   HD21  LEU  51          HD21      LEU  51  -3.497   2.683   1.016
  181   HD22  LEU  51          HD22      LEU  51  -3.574   3.050  -0.707
  182   HD23  LEU  51          HD23      LEU  51  -5.047   2.642   0.173
  183    H    ARG  52           H        ARG  52  -3.575   7.325  -1.735
  184    HA   ARG  52           HA       ARG  52  -5.647   9.168  -2.633
  185    HB2  ARG  52           HB2      ARG  52  -3.391   9.535  -1.198
  186    HB3  ARG  52           HB3      ARG  52  -2.770   9.934  -2.800
  187    HG2  ARG  52           HG2      ARG  52  -4.891  11.416  -3.019
  188    HG3  ARG  52           HG3      ARG  52  -4.997  11.264  -1.265
  189    HD2  ARG  52           HD2      ARG  52  -2.289  11.861  -1.872
  190    HD3  ARG  52           HD3      ARG  52  -3.282  12.978  -2.808
  191    HE   ARG  52           HE       ARG  52  -4.431  13.090  -0.312
  192   HH11  ARG  52          HH11      ARG  52  -1.218  13.327  -1.540
  193   HH12  ARG  52          HH12      ARG  52  -0.679  14.400  -0.292
  194   HH21  ARG  52          HH21      ARG  52  -3.745  14.489   1.325
  195   HH22  ARG  52          HH22      ARG  52  -2.109  15.057   1.331
  196    H    THR  53           H        THR  53  -3.457   7.033  -4.142
  197    HA   THR  53           HA       THR  53  -3.700   8.499  -6.733
  198    HB   THR  53           HB       THR  53  -1.410   7.644  -5.628
  199    HG1  THR  53           HG1      THR  53  -1.966   7.240  -8.375
  200   HG21  THR  53          HG21      THR  53  -2.024   5.317  -7.424
  201   HG22  THR  53          HG22      THR  53  -2.515   5.258  -5.732
  202   HG23  THR  53          HG23      THR  53  -0.813   5.452  -6.149
  203    H    HIS  54           H        HIS  54  -5.169   6.102  -5.011
  204    HA   HIS  54           HA       HIS  54  -5.456   3.832  -6.541
  205    HB2  HIS  54           HB2      HIS  54  -7.016   5.157  -4.574
  206    HB3  HIS  54           HB3      HIS  54  -8.111   4.739  -5.890
  207    HD1  HIS  54           HD1      HIS  54  -7.207   2.086  -6.845
  208    HD2  HIS  54           HD2      HIS  54  -7.113   3.055  -2.792
  209    HE1  HIS  54           HE1      HIS  54  -7.209  -0.112  -5.584
  210    H    GLY  55           H        GLY  55  -6.138   7.030  -7.557
  211    HA2  GLY  55           HA2      GLY  55  -7.012   6.014 -10.182
  212    HA3  GLY  55           HA3      GLY  55  -8.172   7.044  -9.340
  Start of MODEL    7
    1    H1   GLU  29           H1       GLU  29   6.649 -10.083   9.717
    2    H2   GLU  29           H2       GLU  29   6.588  -8.851  10.885
    3    H3   GLU  29           H3       GLU  29   8.086  -9.443  10.348
    4    HA   GLU  29           HA       GLU  29   6.690  -7.278   9.351
    5    HB2  GLU  29           HB2      GLU  29   9.122  -8.863   8.552
    6    HB3  GLU  29           HB3      GLU  29   8.580  -7.509   7.558
    7    HG2  GLU  29           HG2      GLU  29   8.789  -7.073  10.507
    8    HG3  GLU  29           HG3      GLU  29  10.287  -7.149   9.578
    9    H    LYS  30           H        LYS  30   4.675  -8.890   8.881
   10    HA   LYS  30           HA       LYS  30   4.726 -10.327   6.386
   11    HB2  LYS  30           HB2      LYS  30   2.628  -9.392   8.292
   12    HB3  LYS  30           HB3      LYS  30   2.113  -9.798   6.655
   13    HG2  LYS  30           HG2      LYS  30   1.971 -11.781   8.090
   14    HG3  LYS  30           HG3      LYS  30   3.229 -12.007   6.874
   15    HD2  LYS  30           HD2      LYS  30   4.862 -12.119   8.435
   16    HD3  LYS  30           HD3      LYS  30   4.230 -10.721   9.306
   17    HE2  LYS  30           HE2      LYS  30   2.408 -12.245  10.207
   18    HE3  LYS  30           HE3      LYS  30   3.315 -13.598   9.529
   19    HZ1  LYS  30           HZ1      LYS  30   5.127 -12.028  10.924
   20    HZ2  LYS  30           HZ2      LYS  30   4.564 -13.574  11.338
   21    HZ3  LYS  30           HZ3      LYS  30   3.769 -12.194  11.932
   22    HA   PRO  31           HA       PRO  31   4.402  -6.963   3.545
   23    HB2  PRO  31           HB2      PRO  31   3.169  -8.232   1.457
   24    HB3  PRO  31           HB3      PRO  31   4.873  -8.483   1.881
   25    HG2  PRO  31           HG2      PRO  31   2.509 -10.189   2.450
   26    HG3  PRO  31           HG3      PRO  31   4.167 -10.653   2.038
   27    HD2  PRO  31           HD2      PRO  31   3.157 -10.712   4.603
   28    HD3  PRO  31           HD3      PRO  31   4.884 -10.532   4.223
   29    H    PHE  32           H        PHE  32   2.934  -5.341   3.016
   30    HA   PHE  32           HA       PHE  32   0.088  -5.854   3.762
   31    HB2  PHE  32           HB2      PHE  32   1.928  -3.602   4.120
   32    HB3  PHE  32           HB3      PHE  32   0.378  -3.113   3.437
   33    HD1  PHE  32           HD1      PHE  32  -1.704  -4.461   4.579
   34    HD2  PHE  32           HD2      PHE  32   2.065  -3.580   6.440
   35    HE1  PHE  32           HE1      PHE  32  -2.759  -4.674   6.814
   36    HE2  PHE  32           HE2      PHE  32   1.011  -3.792   8.676
   37    HZ   PHE  32           HZ       PHE  32  -1.401  -4.340   8.862
   38    H    SER  33           H        SER  33  -0.880  -6.534   1.856
   39    HA   SER  33           HA       SER  33  -0.298  -5.047  -0.646
   40    HB2  SER  33           HB2      SER  33  -2.344  -7.105  -0.852
   41    HB3  SER  33           HB3      SER  33  -0.802  -6.981  -1.693
   42    HG   SER  33           HG       SER  33  -1.469  -8.278   0.687
   43    H    CYS  34           H        CYS  34  -2.017  -4.035  -1.852
   44    HA   CYS  34           HA       CYS  34  -4.034  -2.791  -0.148
   45    HB2  CYS  34           HB2      CYS  34  -2.877  -1.619  -2.057
   46    HB3  CYS  34           HB3      CYS  34  -3.784  -2.646  -3.165
   47    H    SER  35           H        SER  35  -6.342  -2.649  -1.451
   48    HA   SER  35           HA       SER  35  -7.294  -5.451  -1.447
   49    HB2  SER  35           HB2      SER  35  -8.550  -3.783  -0.136
   50    HB3  SER  35           HB3      SER  35  -8.816  -2.829  -1.593
   51    HG   SER  35           HG       SER  35 -10.584  -4.049  -1.536
   52    H    LEU  36           H        LEU  36  -8.259  -2.658  -3.462
   53    HA   LEU  36           HA       LEU  36  -8.317  -4.516  -5.791
   54    HB2  LEU  36           HB2      LEU  36 -10.395  -3.217  -5.193
   55    HB3  LEU  36           HB3      LEU  36  -9.512  -1.739  -5.577
   56    HG   LEU  36           HG       LEU  36  -9.652  -4.003  -7.561
   57   HD11  LEU  36          HD11      LEU  36 -11.896  -3.708  -7.651
   58   HD12  LEU  36          HD12      LEU  36 -11.527  -2.159  -8.409
   59   HD13  LEU  36          HD13      LEU  36 -11.828  -2.243  -6.673
   60   HD21  LEU  36          HD21      LEU  36  -8.955  -1.086  -7.547
   61   HD22  LEU  36          HD22      LEU  36  -9.616  -1.785  -9.025
   62   HD23  LEU  36          HD23      LEU  36  -8.127  -2.430  -8.334
   63    H    CYS  37           H        CYS  37  -6.104  -4.451  -6.332
   64    HA   CYS  37           HA       CYS  37  -5.097  -2.833  -8.241
   65    HB2  CYS  37           HB2      CYS  37  -3.712  -1.124  -6.818
   66    HB3  CYS  37           HB3      CYS  37  -5.395  -0.757  -7.190
   67    HA   PRO  38           HA       PRO  38  -2.354  -6.237  -6.794
   68    HB2  PRO  38           HB2      PRO  38  -1.310  -5.581  -9.520
   69    HB3  PRO  38           HB3      PRO  38  -1.639  -7.163  -8.788
   70    HG2  PRO  38           HG2      PRO  38  -3.285  -6.078 -10.588
   71    HG3  PRO  38           HG3      PRO  38  -3.881  -7.060  -9.240
   72    HD2  PRO  38           HD2      PRO  38  -4.070  -4.122  -9.643
   73    HD3  PRO  38           HD3      PRO  38  -5.119  -5.202  -8.700
   74    H    GLN  39           H        GLN  39  -1.461  -4.535  -5.275
   75    HA   GLN  39           HA       GLN  39   1.272  -3.817  -6.120
   76    HB2  GLN  39           HB2      GLN  39   1.092  -1.515  -5.873
   77    HB3  GLN  39           HB3      GLN  39  -0.488  -1.887  -6.561
   78    HG2  GLN  39           HG2      GLN  39  -1.383  -2.072  -4.211
   79    HG3  GLN  39           HG3      GLN  39   0.173  -1.473  -3.634
   80   HE21  GLN  39          HE21      GLN  39   0.759   0.768  -4.174
   81   HE22  GLN  39          HE22      GLN  39  -0.422   1.879  -4.680
   82    H    ARG  40           H        ARG  40   2.690  -3.794  -4.367
   83    HA   ARG  40           HA       ARG  40   1.448  -4.185  -1.673
   84    HB2  ARG  40           HB2      ARG  40   3.886  -5.565  -2.837
   85    HB3  ARG  40           HB3      ARG  40   3.338  -5.727  -1.168
   86    HG2  ARG  40           HG2      ARG  40   1.506  -7.000  -1.744
   87    HG3  ARG  40           HG3      ARG  40   1.336  -6.230  -3.322
   88    HD2  ARG  40           HD2      ARG  40   2.257  -8.714  -3.111
   89    HD3  ARG  40           HD3      ARG  40   2.906  -7.607  -4.319
   90    HE   ARG  40           HE       ARG  40   4.244  -8.264  -1.731
   91   HH11  ARG  40          HH11      ARG  40   4.201  -6.981  -4.937
   92   HH12  ARG  40          HH12      ARG  40   5.920  -6.792  -5.022
   93   HH21  ARG  40          HH21      ARG  40   6.485  -8.019  -1.830
   94   HH22  ARG  40          HH22      ARG  40   7.211  -7.378  -3.266
   95    H    SER  41           H        SER  41   2.233  -2.841  -0.110
   96    HA   SER  41           HA       SER  41   4.636  -1.203  -0.805
   97    HB2  SER  41           HB2      SER  41   2.913  -0.307   1.419
   98    HB3  SER  41           HB3      SER  41   3.606   0.620   0.090
   99    HG   SER  41           HG       SER  41   1.979  -0.162  -1.246
  100    H    ARG  42           H        ARG  42   6.229  -0.888   0.844
  101    HA   ARG  42           HA       ARG  42   6.337  -3.105   2.791
  102    HB2  ARG  42           HB2      ARG  42   8.340  -2.565   1.440
  103    HB3  ARG  42           HB3      ARG  42   8.370  -0.948   2.144
  104    HG2  ARG  42           HG2      ARG  42   8.201  -2.946   4.232
  105    HG3  ARG  42           HG3      ARG  42   9.584  -3.267   3.185
  106    HD2  ARG  42           HD2      ARG  42   8.956  -0.649   4.578
  107    HD3  ARG  42           HD3      ARG  42  10.269  -1.758   4.975
  108    HE   ARG  42           HE       ARG  42  10.326  -0.807   2.208
  109   HH11  ARG  42          HH11      ARG  42  11.220  -0.291   5.497
  110   HH12  ARG  42          HH12      ARG  42  12.582   0.705   5.111
  111   HH21  ARG  42          HH21      ARG  42  12.100   0.492   1.683
  112   HH22  ARG  42          HH22      ARG  42  13.080   1.150   2.952
  113    H    ASP  43           H        ASP  43   5.572   0.259   2.712
  114    HA   ASP  43           HA       ASP  43   5.269   0.209   5.671
  115    HB2  ASP  43           HB2      ASP  43   7.375   1.542   4.466
  116    HB3  ASP  43           HB3      ASP  43   6.163   2.810   4.650
  117    H    PHE  44           H        PHE  44   3.497   1.434   6.393
  118    HA   PHE  44           HA       PHE  44   1.351   1.863   4.589
  119    HB2  PHE  44           HB2      PHE  44   1.382   1.710   7.206
  120    HB3  PHE  44           HB3      PHE  44   1.595   3.459   7.127
  121    HD1  PHE  44           HD1      PHE  44  -0.474   0.835   5.404
  122    HD2  PHE  44           HD2      PHE  44  -0.352   4.723   7.226
  123    HE1  PHE  44           HE1      PHE  44  -2.901   1.112   4.975
  124    HE2  PHE  44           HE2      PHE  44  -2.779   5.001   6.795
  125    HZ   PHE  44           HZ       PHE  44  -4.053   3.195   5.670
  126    H    SER  45           H        SER  45   3.884   4.060   5.731
  127    HA   SER  45           HA       SER  45   2.870   6.531   4.901
  128    HB2  SER  45           HB2      SER  45   5.041   7.308   5.033
  129    HB3  SER  45           HB3      SER  45   5.244   5.777   5.880
  130    HG   SER  45           HG       SER  45   5.653   4.953   3.625
  131    H    ALA  46           H        ALA  46   4.350   3.980   2.926
  132    HA   ALA  46           HA       ALA  46   4.013   5.570   0.469
  133    HB1  ALA  46           HB1      ALA  46   5.476   4.096  -0.442
  134    HB2  ALA  46           HB2      ALA  46   4.567   2.706   0.149
  135    HB3  ALA  46           HB3      ALA  46   5.722   3.517   1.206
  136    H    MET  47           H        MET  47   2.349   3.055   2.246
  137    HA   MET  47           HA       MET  47   0.625   2.211   0.086
  138    HB2  MET  47           HB2      MET  47   1.101   1.040   2.365
  139    HB3  MET  47           HB3      MET  47  -0.154   2.109   2.996
  140    HG2  MET  47           HG2      MET  47  -1.624   1.282   1.072
  141    HG3  MET  47           HG3      MET  47  -0.412   0.026   0.820
  142    HE1  MET  47           HE1      MET  47  -2.392  -1.691   1.128
  143    HE2  MET  47           HE2      MET  47  -3.507  -0.359   1.464
  144    HE3  MET  47           HE3      MET  47  -3.443  -1.751   2.542
  145    H    THR  48           H        THR  48   0.585   4.857   2.379
  146    HA   THR  48           HA       THR  48  -2.194   5.548   2.086
  147    HB   THR  48           HB       THR  48  -1.413   7.821   2.878
  148    HG1  THR  48           HG1      THR  48   0.705   8.117   3.250
  149   HG21  THR  48          HG21      THR  48  -1.710   5.458   4.247
  150   HG22  THR  48          HG22      THR  48  -1.490   7.036   5.004
  151   HG23  THR  48          HG23      THR  48  -0.103   5.974   4.757
  152    H    LYS  49           H        LYS  49   0.760   6.856   0.537
  153    HA   LYS  49           HA       LYS  49  -0.495   8.682  -1.208
  154    HB2  LYS  49           HB2      LYS  49   1.977   6.968  -1.569
  155    HB3  LYS  49           HB3      LYS  49   1.480   8.181  -2.749
  156    HG2  LYS  49           HG2      LYS  49   1.336   9.512  -0.297
  157    HG3  LYS  49           HG3      LYS  49   2.807   8.547  -0.181
  158    HD2  LYS  49           HD2      LYS  49   3.668   9.491  -2.236
  159    HD3  LYS  49           HD3      LYS  49   2.144  10.325  -2.542
  160    HE2  LYS  49           HE2      LYS  49   2.715  11.260  -0.054
  161    HE3  LYS  49           HE3      LYS  49   4.344  11.033  -0.690
  162    HZ1  LYS  49           HZ1      LYS  49   3.262  13.249  -1.137
  163    HZ2  LYS  49           HZ2      LYS  49   2.232  12.439  -2.213
  164    HZ3  LYS  49           HZ3      LYS  49   3.908  12.447  -2.489
  165    H    HIS  50           H        HIS  50   0.005   5.197  -1.500
  166    HA   HIS  50           HA       HIS  50  -0.856   4.808  -4.152
  167    HB2  HIS  50           HB2      HIS  50  -0.125   2.823  -3.227
  168    HB3  HIS  50           HB3      HIS  50  -0.867   3.159  -1.663
  169    HD1  HIS  50           HD1      HIS  50  -2.980   3.550  -4.691
  170    HD2  HIS  50           HD2      HIS  50  -2.262   0.620  -1.815
  171    HE1  HIS  50           HE1      HIS  50  -4.844   1.863  -4.914
  172    H    LEU  51           H        LEU  51  -2.789   5.130  -1.168
  173    HA   LEU  51           HA       LEU  51  -5.310   4.744  -2.559
  174    HB2  LEU  51           HB2      LEU  51  -5.303   6.324  -0.049
  175    HB3  LEU  51           HB3      LEU  51  -6.267   4.914  -0.490
  176    HG   LEU  51           HG       LEU  51  -3.354   4.893   0.350
  177   HD11  LEU  51          HD11      LEU  51  -4.863   3.223   1.993
  178   HD12  LEU  51          HD12      LEU  51  -5.893   4.637   1.769
  179   HD13  LEU  51          HD13      LEU  51  -4.264   4.826   2.417
  180   HD21  LEU  51          HD21      LEU  51  -5.160   2.863  -0.894
  181   HD22  LEU  51          HD22      LEU  51  -4.071   2.311   0.378
  182   HD23  LEU  51          HD23      LEU  51  -3.418   3.073  -1.072
  183    H    ARG  52           H        ARG  52  -3.399   7.556  -1.540
  184    HA   ARG  52           HA       ARG  52  -5.350   9.492  -2.477
  185    HB2  ARG  52           HB2      ARG  52  -3.430   9.849  -0.770
  186    HB3  ARG  52           HB3      ARG  52  -2.390  10.015  -2.185
  187    HG2  ARG  52           HG2      ARG  52  -3.002  12.213  -2.024
  188    HG3  ARG  52           HG3      ARG  52  -4.417  11.652  -2.915
  189    HD2  ARG  52           HD2      ARG  52  -5.220  12.911  -1.023
  190    HD3  ARG  52           HD3      ARG  52  -5.530  11.209  -0.687
  191    HE   ARG  52           HE       ARG  52  -4.072  11.402   1.145
  192   HH11  ARG  52          HH11      ARG  52  -3.438  13.801  -1.249
  193   HH12  ARG  52          HH12      ARG  52  -2.206  14.591  -0.322
  194   HH21  ARG  52          HH21      ARG  52  -2.467  12.420   2.369
  195   HH22  ARG  52          HH22      ARG  52  -1.656  13.809   1.726
  196    H    THR  53           H        THR  53  -3.021   7.475  -3.962
  197    HA   THR  53           HA       THR  53  -2.982   9.157  -6.424
  198    HB   THR  53           HB       THR  53  -0.893   7.943  -5.197
  199    HG1  THR  53           HG1      THR  53  -1.133   7.993  -8.013
  200   HG21  THR  53          HG21      THR  53  -1.567   5.993  -7.392
  201   HG22  THR  53          HG22      THR  53  -2.124   5.716  -5.743
  202   HG23  THR  53          HG23      THR  53  -0.398   5.822  -6.084
  203    H    HIS  54           H        HIS  54  -4.664   6.623  -5.045
  204    HA   HIS  54           HA       HIS  54  -5.042   4.571  -6.774
  205    HB2  HIS  54           HB2      HIS  54  -6.706   5.931  -4.909
  206    HB3  HIS  54           HB3      HIS  54  -7.668   5.659  -6.361
  207    HD1  HIS  54           HD1      HIS  54  -6.879   3.000  -7.360
  208    HD2  HIS  54           HD2      HIS  54  -7.118   3.752  -3.266
  209    HE1  HIS  54           HE1      HIS  54  -7.159   0.749  -6.233
  210    H    GLY  55           H        GLY  55  -6.111   4.194  -8.776
  211    HA2  GLY  55           HA2      GLY  55  -7.553   5.172 -10.593
  212    HA3  GLY  55           HA3      GLY  55  -6.640   6.666 -10.380
  Start of MODEL    8
    1    H1   GLU  29           H1       GLU  29   4.144 -13.600   3.796
    2    H2   GLU  29           H2       GLU  29   5.607 -12.914   3.271
    3    H3   GLU  29           H3       GLU  29   4.714 -13.918   2.230
    4    HA   GLU  29           HA       GLU  29   4.347 -11.690   1.535
    5    HB2  GLU  29           HB2      GLU  29   2.379 -13.183   1.522
    6    HB3  GLU  29           HB3      GLU  29   2.006 -12.706   3.179
    7    HG2  GLU  29           HG2      GLU  29   1.465 -10.497   2.550
    8    HG3  GLU  29           HG3      GLU  29   2.285 -10.646   0.995
    9    H    LYS  30           H        LYS  30   4.356  -9.529   2.081
   10    HA   LYS  30           HA       LYS  30   4.978  -8.803   4.817
   11    HB2  LYS  30           HB2      LYS  30   4.422  -7.189   2.320
   12    HB3  LYS  30           HB3      LYS  30   4.792  -6.437   3.872
   13    HG2  LYS  30           HG2      LYS  30   6.925  -6.592   2.981
   14    HG3  LYS  30           HG3      LYS  30   6.830  -8.135   3.831
   15    HD2  LYS  30           HD2      LYS  30   6.197  -9.284   1.782
   16    HD3  LYS  30           HD3      LYS  30   6.119  -7.752   0.909
   17    HE2  LYS  30           HE2      LYS  30   8.258  -8.334   0.320
   18    HE3  LYS  30           HE3      LYS  30   8.633  -7.575   1.868
   19    HZ1  LYS  30           HZ1      LYS  30   8.795 -10.335   1.100
   20    HZ2  LYS  30           HZ2      LYS  30   7.952 -10.108   2.554
   21    HZ3  LYS  30           HZ3      LYS  30   9.539  -9.523   2.394
   22    HA   PRO  31           HA       PRO  31   0.660  -8.820   6.137
   23    HB2  PRO  31           HB2      PRO  31   1.892  -7.196   8.320
   24    HB3  PRO  31           HB3      PRO  31   0.821  -8.606   8.429
   25    HG2  PRO  31           HG2      PRO  31   3.440  -8.790   8.906
   26    HG3  PRO  31           HG3      PRO  31   2.530 -10.100   8.136
   27    HD2  PRO  31           HD2      PRO  31   4.478  -8.205   6.923
   28    HD3  PRO  31           HD3      PRO  31   4.054  -9.859   6.434
   29    H    PHE  32           H        PHE  32   2.385  -6.364   4.804
   30    HA   PHE  32           HA       PHE  32   0.331  -4.299   5.472
   31    HB2  PHE  32           HB2      PHE  32   3.235  -4.191   4.870
   32    HB3  PHE  32           HB3      PHE  32   2.254  -2.904   4.165
   33    HD1  PHE  32           HD1      PHE  32   2.884  -4.691   7.393
   34    HD2  PHE  32           HD2      PHE  32   1.584  -1.074   5.476
   35    HE1  PHE  32           HE1      PHE  32   2.776  -3.562   9.599
   36    HE2  PHE  32           HE2      PHE  32   1.476   0.056   7.681
   37    HZ   PHE  32           HZ       PHE  32   2.073  -1.188   9.742
   38    H    SER  33           H        SER  33  -0.966  -5.694   3.842
   39    HA   SER  33           HA       SER  33  -0.253  -4.964   1.038
   40    HB2  SER  33           HB2      SER  33  -2.466  -6.702   1.022
   41    HB3  SER  33           HB3      SER  33  -0.799  -7.110   0.623
   42    HG   SER  33           HG       SER  33  -1.403  -6.932   3.320
   43    H    CYS  34           H        CYS  34  -2.049  -4.196  -0.348
   44    HA   CYS  34           HA       CYS  34  -3.659  -2.211   1.028
   45    HB2  CYS  34           HB2      CYS  34  -2.793  -1.857  -1.267
   46    HB3  CYS  34           HB3      CYS  34  -3.820  -3.171  -1.844
   47    H    SER  35           H        SER  35  -6.137  -2.168   0.177
   48    HA   SER  35           HA       SER  35  -7.316  -4.638   1.284
   49    HB2  SER  35           HB2      SER  35  -8.101  -1.843   1.064
   50    HB3  SER  35           HB3      SER  35  -9.390  -2.919   0.535
   51    HG   SER  35           HG       SER  35  -8.723  -2.346   2.990
   52    H    LEU  36           H        LEU  36  -7.611  -2.664  -1.689
   53    HA   LEU  36           HA       LEU  36  -8.561  -5.145  -3.065
   54    HB2  LEU  36           HB2      LEU  36 -10.457  -3.633  -2.802
   55    HB3  LEU  36           HB3      LEU  36  -9.519  -2.296  -3.468
   56    HG   LEU  36           HG       LEU  36  -9.298  -3.532  -5.605
   57   HD11  LEU  36          HD11      LEU  36  -9.433  -5.806  -5.116
   58   HD12  LEU  36          HD12      LEU  36 -11.049  -5.501  -5.752
   59   HD13  LEU  36          HD13      LEU  36 -10.790  -5.591  -4.010
   60   HD21  LEU  36          HD21      LEU  36 -11.411  -2.085  -4.770
   61   HD22  LEU  36          HD22      LEU  36 -12.229  -3.620  -5.064
   62   HD23  LEU  36          HD23      LEU  36 -11.351  -2.823  -6.370
   63    H    CYS  37           H        CYS  37  -6.463  -5.568  -3.886
   64    HA   CYS  37           HA       CYS  37  -5.688  -4.894  -6.367
   65    HB2  CYS  37           HB2      CYS  37  -4.003  -2.946  -5.949
   66    HB3  CYS  37           HB3      CYS  37  -5.709  -2.551  -6.156
   67    HA   PRO  38           HA       PRO  38  -2.424  -7.444  -4.738
   68    HB2  PRO  38           HB2      PRO  38  -1.095  -7.893  -7.076
   69    HB3  PRO  38           HB3      PRO  38  -2.638  -8.674  -6.677
   70    HG2  PRO  38           HG2      PRO  38  -2.094  -6.359  -8.459
   71    HG3  PRO  38           HG3      PRO  38  -3.256  -7.682  -8.647
   72    HD2  PRO  38           HD2      PRO  38  -3.941  -5.157  -7.771
   73    HD3  PRO  38           HD3      PRO  38  -4.862  -6.626  -7.380
   74    H    GLN  39           H        GLN  39  -1.558  -5.398  -3.621
   75    HA   GLN  39           HA       GLN  39   1.161  -4.878  -4.644
   76    HB2  GLN  39           HB2      GLN  39   0.947  -2.466  -4.597
   77    HB3  GLN  39           HB3      GLN  39  -0.317  -3.105  -5.648
   78    HG2  GLN  39           HG2      GLN  39  -1.926  -2.985  -3.768
   79    HG3  GLN  39           HG3      GLN  39  -0.662  -2.300  -2.745
   80   HE21  GLN  39          HE21      GLN  39   0.492  -0.294  -3.964
   81   HE22  GLN  39          HE22      GLN  39  -0.590   0.817  -4.654
   82    H    ARG  40           H        ARG  40   2.599  -4.418  -2.963
   83    HA   ARG  40           HA       ARG  40   1.391  -4.267  -0.229
   84    HB2  ARG  40           HB2      ARG  40   4.114  -5.364  -0.384
   85    HB3  ARG  40           HB3      ARG  40   2.708  -5.968   0.493
   86    HG2  ARG  40           HG2      ARG  40   2.957  -7.650  -1.081
   87    HG3  ARG  40           HG3      ARG  40   1.861  -6.575  -1.949
   88    HD2  ARG  40           HD2      ARG  40   3.648  -7.152  -3.462
   89    HD3  ARG  40           HD3      ARG  40   3.894  -5.477  -2.973
   90    HE   ARG  40           HE       ARG  40   5.379  -7.713  -1.654
   91   HH11  ARG  40          HH11      ARG  40   5.167  -4.636  -3.212
   92   HH12  ARG  40          HH12      ARG  40   6.832  -4.246  -2.951
   93   HH21  ARG  40          HH21      ARG  40   7.554  -7.213  -1.312
   94   HH22  ARG  40          HH22      ARG  40   8.182  -5.701  -1.878
   95    H    SER  41           H        SER  41   2.522  -2.932   1.288
   96    HA   SER  41           HA       SER  41   4.587  -1.148   0.063
   97    HB2  SER  41           HB2      SER  41   3.606   0.672   1.521
   98    HB3  SER  41           HB3      SER  41   2.552   0.134   0.216
   99    HG   SER  41           HG       SER  41   1.333   0.146   2.059
  100    H    ARG  42           H        ARG  42   5.403   0.265   2.216
  101    HA   ARG  42           HA       ARG  42   6.256  -1.844   4.162
  102    HB2  ARG  42           HB2      ARG  42   7.754   0.556   3.076
  103    HB3  ARG  42           HB3      ARG  42   8.306  -0.380   4.465
  104    HG2  ARG  42           HG2      ARG  42   7.624  -2.211   2.375
  105    HG3  ARG  42           HG3      ARG  42   8.674  -0.967   1.695
  106    HD2  ARG  42           HD2      ARG  42  10.159  -1.336   3.769
  107    HD3  ARG  42           HD3      ARG  42   9.229  -2.814   4.018
  108    HE   ARG  42           HE       ARG  42  10.351  -2.514   1.321
  109   HH11  ARG  42          HH11      ARG  42  10.683  -3.680   4.547
  110   HH12  ARG  42          HH12      ARG  42  11.841  -4.899   4.129
  111   HH21  ARG  42          HH21      ARG  42  11.859  -4.099   0.755
  112   HH22  ARG  42          HH22      ARG  42  12.506  -5.137   1.981
  113    H    ASP  43           H        ASP  43   6.030   1.727   3.931
  114    HA   ASP  43           HA       ASP  43   5.037   1.710   6.752
  115    HB2  ASP  43           HB2      ASP  43   7.235   2.988   5.902
  116    HB3  ASP  43           HB3      ASP  43   6.042   4.218   5.486
  117    H    PHE  44           H        PHE  44   3.427   3.469   7.227
  118    HA   PHE  44           HA       PHE  44   1.235   3.384   5.399
  119    HB2  PHE  44           HB2      PHE  44   1.266   3.933   7.948
  120    HB3  PHE  44           HB3      PHE  44   1.575   5.589   7.424
  121    HD1  PHE  44           HD1      PHE  44  -0.764   2.714   6.929
  122    HD2  PHE  44           HD2      PHE  44  -0.190   6.964   6.679
  123    HE1  PHE  44           HE1      PHE  44  -3.176   3.012   6.433
  124    HE2  PHE  44           HE2      PHE  44  -2.601   7.260   6.183
  125    HZ   PHE  44           HZ       PHE  44  -4.094   5.285   6.059
  126    H    SER  45           H        SER  45   3.869   5.688   5.834
  127    HA   SER  45           HA       SER  45   2.880   7.879   4.366
  128    HB2  SER  45           HB2      SER  45   5.402   8.084   3.660
  129    HB3  SER  45           HB3      SER  45   4.961   8.267   5.355
  130    HG   SER  45           HG       SER  45   6.687   6.613   4.435
  131    H    ALA  46           H        ALA  46   4.525   4.947   3.166
  132    HA   ALA  46           HA       ALA  46   4.229   5.774   0.379
  133    HB1  ALA  46           HB1      ALA  46   4.682   2.913   0.915
  134    HB2  ALA  46           HB2      ALA  46   5.857   3.980   1.685
  135    HB3  ALA  46           HB3      ALA  46   5.627   4.037  -0.063
  136    H    MET  47           H        MET  47   2.625   3.451   2.554
  137    HA   MET  47           HA       MET  47   0.862   2.308   0.643
  138    HB2  MET  47           HB2      MET  47   1.218   1.533   3.031
  139    HB3  MET  47           HB3      MET  47   0.186   2.869   3.543
  140    HG2  MET  47           HG2      MET  47  -1.709   1.982   2.438
  141    HG3  MET  47           HG3      MET  47  -0.731   0.892   1.456
  142    HE1  MET  47           HE1      MET  47  -3.155   0.330   2.631
  143    HE2  MET  47           HE2      MET  47  -3.297   0.274   4.393
  144    HE3  MET  47           HE3      MET  47  -3.045  -1.210   3.477
  145    H    THR  48           H        THR  48   0.809   5.404   2.274
  146    HA   THR  48           HA       THR  48  -1.961   6.022   1.778
  147    HB   THR  48           HB       THR  48  -1.095   8.433   2.002
  148    HG1  THR  48           HG1      THR  48   1.004   8.302   1.537
  149   HG21  THR  48          HG21      THR  48  -1.738   8.037   4.118
  150   HG22  THR  48          HG22      THR  48  -0.137   7.383   4.463
  151   HG23  THR  48          HG23      THR  48  -1.425   6.315   3.908
  152    H    LYS  49           H        LYS  49   1.037   6.934   0.041
  153    HA   LYS  49           HA       LYS  49  -0.146   8.372  -2.071
  154    HB2  LYS  49           HB2      LYS  49   2.269   6.540  -2.051
  155    HB3  LYS  49           HB3      LYS  49   1.827   7.533  -3.440
  156    HG2  LYS  49           HG2      LYS  49   1.712   9.324  -1.323
  157    HG3  LYS  49           HG3      LYS  49   3.109   8.321  -0.929
  158    HD2  LYS  49           HD2      LYS  49   3.972  10.071  -2.292
  159    HD3  LYS  49           HD3      LYS  49   3.848   8.675  -3.363
  160    HE2  LYS  49           HE2      LYS  49   1.991   9.529  -4.485
  161    HE3  LYS  49           HE3      LYS  49   1.524  10.560  -3.132
  162    HZ1  LYS  49           HZ1      LYS  49   2.442  12.083  -4.544
  163    HZ2  LYS  49           HZ2      LYS  49   3.578  10.996  -5.180
  164    HZ3  LYS  49           HZ3      LYS  49   3.816  11.664  -3.636
  165    H    HIS  50           H        HIS  50   0.241   4.894  -1.617
  166    HA   HIS  50           HA       HIS  50  -0.614   3.999  -4.154
  167    HB2  HIS  50           HB2      HIS  50   0.122   2.248  -2.830
  168    HB3  HIS  50           HB3      HIS  50  -0.673   2.873  -1.383
  169    HD1  HIS  50           HD1      HIS  50  -2.794   2.751  -4.396
  170    HD2  HIS  50           HD2      HIS  50  -1.945   0.234  -1.186
  171    HE1  HIS  50           HE1      HIS  50  -4.610   0.998  -4.366
  172    H    LEU  51           H        LEU  51  -2.548   4.870  -1.275
  173    HA   LEU  51           HA       LEU  51  -5.070   4.257  -2.564
  174    HB2  LEU  51           HB2      LEU  51  -5.108   6.312  -0.447
  175    HB3  LEU  51           HB3      LEU  51  -5.995   4.792  -0.556
  176    HG   LEU  51           HG       LEU  51  -3.073   5.074   0.202
  177   HD11  LEU  51          HD11      LEU  51  -5.614   4.706   1.765
  178   HD12  LEU  51          HD12      LEU  51  -4.248   5.769   2.102
  179   HD13  LEU  51          HD13      LEU  51  -4.102   4.033   2.375
  180   HD21  LEU  51          HD21      LEU  51  -3.846   2.561   0.921
  181   HD22  LEU  51          HD22      LEU  51  -3.052   2.937  -0.609
  182   HD23  LEU  51          HD23      LEU  51  -4.808   2.791  -0.539
  183    H    ARG  52           H        ARG  52  -3.082   7.165  -2.224
  184    HA   ARG  52           HA       ARG  52  -5.051   8.897  -3.498
  185    HB2  ARG  52           HB2      ARG  52  -2.081   9.250  -2.974
  186    HB3  ARG  52           HB3      ARG  52  -3.137  10.513  -3.609
  187    HG2  ARG  52           HG2      ARG  52  -4.115   9.169  -1.160
  188    HG3  ARG  52           HG3      ARG  52  -2.661  10.146  -0.954
  189    HD2  ARG  52           HD2      ARG  52  -5.050  11.222  -2.444
  190    HD3  ARG  52           HD3      ARG  52  -4.955  11.324  -0.686
  191    HE   ARG  52           HE       ARG  52  -2.517  12.336  -1.636
  192   HH11  ARG  52          HH11      ARG  52  -5.892  12.970  -1.946
  193   HH12  ARG  52          HH12      ARG  52  -5.686  14.672  -2.186
  194   HH21  ARG  52          HH21      ARG  52  -2.228  14.556  -1.948
  195   HH22  ARG  52          HH22      ARG  52  -3.611  15.571  -2.186
  196    H    THR  53           H        THR  53  -2.554   6.726  -4.531
  197    HA   THR  53           HA       THR  53  -2.551   7.843  -7.279
  198    HB   THR  53           HB       THR  53  -0.512   6.812  -5.843
  199    HG1  THR  53           HG1      THR  53  -0.486   6.084  -8.516
  200   HG21  THR  53          HG21      THR  53  -1.266   4.471  -7.576
  201   HG22  THR  53          HG22      THR  53  -1.852   4.575  -5.917
  202   HG23  THR  53          HG23      THR  53  -0.120   4.535  -6.238
  203    H    HIS  54           H        HIS  54  -4.283   5.620  -5.443
  204    HA   HIS  54           HA       HIS  54  -4.769   3.333  -6.804
  205    HB2  HIS  54           HB2      HIS  54  -6.355   5.053  -5.174
  206    HB3  HIS  54           HB3      HIS  54  -7.352   4.550  -6.538
  207    HD1  HIS  54           HD1      HIS  54  -6.545   1.724  -7.039
  208    HD2  HIS  54           HD2      HIS  54  -6.887   3.231  -3.168
  209    HE1  HIS  54           HE1      HIS  54  -6.892  -0.273  -5.522
  210    H    GLY  55           H        GLY  55  -6.207   6.452  -7.836
  211    HA2  GLY  55           HA2      GLY  55  -5.717   5.997 -10.612
  212    HA3  GLY  55           HA3      GLY  55  -7.364   5.491 -10.240
  Start of MODEL    9
    1    H1   GLU  29           H1       GLU  29   6.486  -5.655  10.868
    2    H2   GLU  29           H2       GLU  29   5.177  -6.512  10.205
    3    H3   GLU  29           H3       GLU  29   6.253  -5.677   9.188
    4    HA   GLU  29           HA       GLU  29   8.058  -7.177  10.061
    5    HB2  GLU  29           HB2      GLU  29   5.571  -8.424  11.213
    6    HB3  GLU  29           HB3      GLU  29   6.966  -9.425  10.807
    7    HG2  GLU  29           HG2      GLU  29   6.789  -8.427  13.217
    8    HG3  GLU  29           HG3      GLU  29   8.342  -8.373  12.384
    9    H    LYS  30           H        LYS  30   4.924  -7.465   8.508
   10    HA   LYS  30           HA       LYS  30   6.266  -8.953   6.290
   11    HB2  LYS  30           HB2      LYS  30   3.474  -9.434   7.380
   12    HB3  LYS  30           HB3      LYS  30   4.149 -10.206   5.944
   13    HG2  LYS  30           HG2      LYS  30   4.968 -11.808   7.303
   14    HG3  LYS  30           HG3      LYS  30   6.082 -10.596   7.935
   15    HD2  LYS  30           HD2      LYS  30   4.951 -11.435   9.849
   16    HD3  LYS  30           HD3      LYS  30   4.170  -9.893   9.502
   17    HE2  LYS  30           HE2      LYS  30   2.855 -11.914   7.965
   18    HE3  LYS  30           HE3      LYS  30   2.969 -12.481   9.630
   19    HZ1  LYS  30           HZ1      LYS  30   1.242 -10.554   8.582
   20    HZ2  LYS  30           HZ2      LYS  30   2.290  -9.762   9.653
   21    HZ3  LYS  30           HZ3      LYS  30   1.368 -11.085  10.190
   22    HA   PRO  31           HA       PRO  31   4.655  -5.731   3.745
   23    HB2  PRO  31           HB2      PRO  31   4.362  -7.114   1.379
   24    HB3  PRO  31           HB3      PRO  31   5.916  -6.528   2.001
   25    HG2  PRO  31           HG2      PRO  31   4.750  -9.258   2.085
   26    HG3  PRO  31           HG3      PRO  31   6.434  -8.750   1.868
   27    HD2  PRO  31           HD2      PRO  31   5.459  -9.711   4.242
   28    HD3  PRO  31           HD3      PRO  31   6.813  -8.564   4.139
   29    H    PHE  32           H        PHE  32   2.664  -4.957   2.901
   30    HA   PHE  32           HA       PHE  32   0.380  -6.885   3.066
   31    HB2  PHE  32           HB2      PHE  32   0.673  -4.091   4.133
   32    HB3  PHE  32           HB3      PHE  32  -0.921  -4.681   3.662
   33    HD1  PHE  32           HD1      PHE  32  -1.329  -7.256   4.481
   34    HD2  PHE  32           HD2      PHE  32   1.227  -4.367   6.371
   35    HE1  PHE  32           HE1      PHE  32  -1.503  -8.501   6.620
   36    HE2  PHE  32           HE2      PHE  32   1.054  -5.613   8.509
   37    HZ   PHE  32           HZ       PHE  32  -0.311  -7.679   8.633
   38    H    SER  33           H        SER  33  -0.959  -6.905   1.300
   39    HA   SER  33           HA       SER  33  -0.260  -5.104  -0.944
   40    HB2  SER  33           HB2      SER  33  -1.163  -6.703  -2.344
   41    HB3  SER  33           HB3      SER  33  -0.740  -7.735  -0.981
   42    HG   SER  33           HG       SER  33  -3.214  -6.882  -1.896
   43    H    CYS  34           H        CYS  34  -2.155  -4.161  -2.204
   44    HA   CYS  34           HA       CYS  34  -3.864  -2.696  -0.365
   45    HB2  CYS  34           HB2      CYS  34  -3.090  -1.597  -2.390
   46    HB3  CYS  34           HB3      CYS  34  -3.828  -2.848  -3.393
   47    H    SER  35           H        SER  35  -6.336  -2.560  -1.195
   48    HA   SER  35           HA       SER  35  -7.399  -5.261  -0.752
   49    HB2  SER  35           HB2      SER  35  -9.203  -4.173   0.076
   50    HB3  SER  35           HB3      SER  35  -8.243  -2.703  -0.073
   51    HG   SER  35           HG       SER  35  -9.866  -2.191  -1.347
   52    H    LEU  36           H        LEU  36  -7.564  -2.773  -3.316
   53    HA   LEU  36           HA       LEU  36  -8.259  -4.966  -5.213
   54    HB2  LEU  36           HB2      LEU  36 -10.279  -3.540  -4.460
   55    HB3  LEU  36           HB3      LEU  36  -9.546  -2.244  -5.408
   56    HG   LEU  36           HG       LEU  36  -9.999  -4.986  -6.584
   57   HD11  LEU  36          HD11      LEU  36 -12.078  -3.914  -7.606
   58   HD12  LEU  36          HD12      LEU  36 -11.920  -2.657  -6.378
   59   HD13  LEU  36          HD13      LEU  36 -12.194  -4.333  -5.897
   60   HD21  LEU  36          HD21      LEU  36  -9.425  -2.207  -7.602
   61   HD22  LEU  36          HD22      LEU  36 -10.167  -3.411  -8.655
   62   HD23  LEU  36          HD23      LEU  36  -8.575  -3.709  -7.959
   63    H    CYS  37           H        CYS  37  -6.135  -4.898  -6.054
   64    HA   CYS  37           HA       CYS  37  -5.497  -3.539  -8.291
   65    HB2  CYS  37           HB2      CYS  37  -4.027  -1.588  -7.337
   66    HB3  CYS  37           HB3      CYS  37  -5.763  -1.344  -7.523
   67    HA   PRO  38           HA       PRO  38  -1.905  -5.988  -7.412
   68    HB2  PRO  38           HB2      PRO  38  -0.481  -5.431  -9.677
   69    HB3  PRO  38           HB3      PRO  38  -1.887  -6.514  -9.654
   70    HG2  PRO  38           HG2      PRO  38  -1.689  -3.686 -10.547
   71    HG3  PRO  38           HG3      PRO  38  -2.637  -5.023 -11.219
   72    HD2  PRO  38           HD2      PRO  38  -3.703  -3.048  -9.616
   73    HD3  PRO  38           HD3      PRO  38  -4.393  -4.679  -9.770
   74    H    GLN  39           H        GLN  39  -1.374  -4.329  -5.626
   75    HA   GLN  39           HA       GLN  39   1.266  -3.157  -6.233
   76    HB2  GLN  39           HB2      GLN  39   0.748  -0.944  -5.659
   77    HB3  GLN  39           HB3      GLN  39  -0.666  -1.429  -6.597
   78    HG2  GLN  39           HG2      GLN  39  -1.682  -2.157  -4.338
   79    HG3  GLN  39           HG3      GLN  39  -0.398  -1.197  -3.600
   80   HE21  GLN  39          HE21      GLN  39  -0.213   1.122  -4.789
   81   HE22  GLN  39          HE22      GLN  39  -1.699   1.912  -5.014
   82    H    ARG  40           H        ARG  40   2.600  -3.177  -4.425
   83    HA   ARG  40           HA       ARG  40   1.325  -3.942  -1.832
   84    HB2  ARG  40           HB2      ARG  40   3.756  -5.135  -1.643
   85    HB3  ARG  40           HB3      ARG  40   2.314  -5.967  -2.226
   86    HG2  ARG  40           HG2      ARG  40   4.150  -6.315  -3.803
   87    HG3  ARG  40           HG3      ARG  40   2.911  -5.308  -4.552
   88    HD2  ARG  40           HD2      ARG  40   4.278  -3.495  -4.662
   89    HD3  ARG  40           HD3      ARG  40   4.958  -3.799  -3.063
   90    HE   ARG  40           HE       ARG  40   6.146  -4.603  -5.561
   91   HH11  ARG  40          HH11      ARG  40   5.539  -5.565  -2.307
   92   HH12  ARG  40          HH12      ARG  40   6.937  -6.583  -2.206
   93   HH21  ARG  40          HH21      ARG  40   7.975  -5.927  -5.449
   94   HH22  ARG  40          HH22      ARG  40   8.316  -6.788  -3.986
   95    H    SER  41           H        SER  41   2.494  -3.212   0.058
   96    HA   SER  41           HA       SER  41   4.671  -1.248  -0.468
   97    HB2  SER  41           HB2      SER  41   2.903  -0.327   1.641
   98    HB3  SER  41           HB3      SER  41   3.454   0.526   0.201
   99    HG   SER  41           HG       SER  41   1.384   0.305  -0.261
  100    H    ARG  42           H        ARG  42   5.850  -0.697   1.578
  101    HA   ARG  42           HA       ARG  42   5.892  -3.073   3.378
  102    HB2  ARG  42           HB2      ARG  42   7.932  -1.210   2.330
  103    HB3  ARG  42           HB3      ARG  42   8.118  -1.626   4.033
  104    HG2  ARG  42           HG2      ARG  42   8.513  -3.855   3.591
  105    HG3  ARG  42           HG3      ARG  42   7.528  -3.847   2.127
  106    HD2  ARG  42           HD2      ARG  42  10.119  -3.997   1.879
  107    HD3  ARG  42           HD3      ARG  42   9.235  -2.888   0.829
  108    HE   ARG  42           HE       ARG  42  10.141  -1.048   2.066
  109   HH11  ARG  42          HH11      ARG  42  10.912  -4.143   3.373
  110   HH12  ARG  42          HH12      ARG  42  12.142  -3.538   4.432
  111   HH21  ARG  42          HH21      ARG  42  11.739  -0.238   3.445
  112   HH22  ARG  42          HH22      ARG  42  12.610  -1.327   4.473
  113    H    ASP  43           H        ASP  43   5.646   0.452   3.353
  114    HA   ASP  43           HA       ASP  43   4.890   0.315   6.246
  115    HB2  ASP  43           HB2      ASP  43   7.117   1.507   5.572
  116    HB3  ASP  43           HB3      ASP  43   6.057   2.786   4.980
  117    H    PHE  44           H        PHE  44   3.000   1.413   6.804
  118    HA   PHE  44           HA       PHE  44   0.970   1.824   4.940
  119    HB2  PHE  44           HB2      PHE  44   0.897   1.910   7.545
  120    HB3  PHE  44           HB3      PHE  44   1.197   3.636   7.335
  121    HD1  PHE  44           HD1      PHE  44  -0.928   1.013   5.676
  122    HD2  PHE  44           HD2      PHE  44  -0.708   4.964   7.349
  123    HE1  PHE  44           HE1      PHE  44  -3.323   1.372   5.145
  124    HE2  PHE  44           HE2      PHE  44  -3.103   5.321   6.818
  125    HZ   PHE  44           HZ       PHE  44  -4.411   3.526   5.716
  126    H    SER  45           H        SER  45   3.533   4.051   5.902
  127    HA   SER  45           HA       SER  45   2.603   6.466   4.842
  128    HB2  SER  45           HB2      SER  45   5.008   6.983   4.368
  129    HB3  SER  45           HB3      SER  45   4.752   6.326   5.981
  130    HG   SER  45           HG       SER  45   5.984   5.208   3.748
  131    H    ALA  46           H        ALA  46   4.488   3.989   3.066
  132    HA   ALA  46           HA       ALA  46   4.023   5.255   0.502
  133    HB1  ALA  46           HB1      ALA  46   5.266   2.735   1.482
  134    HB2  ALA  46           HB2      ALA  46   5.879   3.914   0.323
  135    HB3  ALA  46           HB3      ALA  46   4.678   2.724  -0.180
  136    H    MET  47           H        MET  47   2.338   2.865   2.433
  137    HA   MET  47           HA       MET  47   0.651   1.884   0.290
  138    HB2  MET  47           HB2      MET  47   1.157   0.906   2.708
  139    HB3  MET  47           HB3      MET  47  -0.255   1.870   3.146
  140    HG2  MET  47           HG2      MET  47  -1.658   0.699   1.620
  141    HG3  MET  47           HG3      MET  47  -0.280  -0.036   0.800
  142    HE1  MET  47           HE1      MET  47  -2.771  -2.384   2.731
  143    HE2  MET  47           HE2      MET  47  -1.588  -2.889   1.516
  144    HE3  MET  47           HE3      MET  47  -2.507  -1.402   1.292
  145    H    THR  48           H        THR  48   0.590   4.658   2.407
  146    HA   THR  48           HA       THR  48  -2.224   5.257   2.071
  147    HB   THR  48           HB       THR  48  -1.220   7.662   2.652
  148    HG1  THR  48           HG1      THR  48   0.706   7.396   3.804
  149   HG21  THR  48          HG21      THR  48  -1.709   5.240   4.338
  150   HG22  THR  48          HG22      THR  48  -2.606   6.757   4.270
  151   HG23  THR  48          HG23      THR  48  -1.058   6.686   5.112
  152    H    LYS  49           H        LYS  49   0.752   6.531   0.539
  153    HA   LYS  49           HA       LYS  49  -0.446   8.366  -1.225
  154    HB2  LYS  49           HB2      LYS  49   1.957   6.556  -1.576
  155    HB3  LYS  49           HB3      LYS  49   1.489   7.752  -2.787
  156    HG2  LYS  49           HG2      LYS  49   1.704   8.663   0.050
  157    HG3  LYS  49           HG3      LYS  49   3.202   8.358  -0.829
  158    HD2  LYS  49           HD2      LYS  49   2.516   9.890  -2.605
  159    HD3  LYS  49           HD3      LYS  49   0.960  10.146  -1.814
  160    HE2  LYS  49           HE2      LYS  49   1.969  11.909  -0.805
  161    HE3  LYS  49           HE3      LYS  49   2.744  10.696   0.214
  162    HZ1  LYS  49           HZ1      LYS  49   4.546  10.579  -1.443
  163    HZ2  LYS  49           HZ2      LYS  49   4.410  12.111  -0.727
  164    HZ3  LYS  49           HZ3      LYS  49   3.819  11.855  -2.300
  165    H    HIS  50           H        HIS  50  -0.109   4.867  -1.446
  166    HA   HIS  50           HA       HIS  50  -0.976   4.427  -4.079
  167    HB2  HIS  50           HB2      HIS  50  -0.443   2.413  -3.124
  168    HB3  HIS  50           HB3      HIS  50  -1.041   2.896  -1.536
  169    HD1  HIS  50           HD1      HIS  50  -3.204   3.188  -4.580
  170    HD2  HIS  50           HD2      HIS  50  -2.774   0.637  -1.311
  171    HE1  HIS  50           HE1      HIS  50  -5.253   1.711  -4.555
  172    H    LEU  51           H        LEU  51  -2.976   4.787  -1.121
  173    HA   LEU  51           HA       LEU  51  -5.485   4.576  -2.503
  174    HB2  LEU  51           HB2      LEU  51  -4.715   5.898   0.113
  175    HB3  LEU  51           HB3      LEU  51  -6.380   5.802  -0.461
  176    HG   LEU  51           HG       LEU  51  -6.032   3.286  -0.666
  177   HD11  LEU  51          HD11      LEU  51  -3.500   4.104   0.755
  178   HD12  LEU  51          HD12      LEU  51  -3.675   3.051  -0.647
  179   HD13  LEU  51          HD13      LEU  51  -4.177   2.488   0.947
  180   HD21  LEU  51          HD21      LEU  51  -6.998   4.737   1.364
  181   HD22  LEU  51          HD22      LEU  51  -5.602   4.048   2.192
  182   HD23  LEU  51          HD23      LEU  51  -6.821   2.987   1.487
  183    H    ARG  52           H        ARG  52  -3.371   7.314  -1.722
  184    HA   ARG  52           HA       ARG  52  -5.192   9.304  -2.810
  185    HB2  ARG  52           HB2      ARG  52  -3.323   9.748  -1.130
  186    HB3  ARG  52           HB3      ARG  52  -2.191   9.566  -2.471
  187    HG2  ARG  52           HG2      ARG  52  -3.711  11.316  -3.674
  188    HG3  ARG  52           HG3      ARG  52  -4.283  11.687  -2.047
  189    HD2  ARG  52           HD2      ARG  52  -1.520  11.573  -1.752
  190    HD3  ARG  52           HD3      ARG  52  -1.738  12.363  -3.314
  191    HE   ARG  52           HE       ARG  52  -3.537  13.633  -1.587
  192   HH11  ARG  52          HH11      ARG  52  -0.151  13.007  -1.781
  193   HH12  ARG  52          HH12      ARG  52   0.300  14.456  -0.945
  194   HH21  ARG  52          HH21      ARG  52  -2.967  15.529  -0.496
  195   HH22  ARG  52          HH22      ARG  52  -1.295  15.884  -0.219
  196    H    THR  53           H        THR  53  -2.905   7.069  -4.088
  197    HA   THR  53           HA       THR  53  -2.755   8.517  -6.679
  198    HB   THR  53           HB       THR  53  -0.846   7.102  -5.299
  199    HG1  THR  53           HG1      THR  53  -0.781   7.078  -8.094
  200   HG21  THR  53          HG21      THR  53  -1.692   5.279  -7.552
  201   HG22  THR  53          HG22      THR  53  -2.228   5.014  -5.894
  202   HG23  THR  53          HG23      THR  53  -0.510   4.969  -6.281
  203    H    HIS  54           H        HIS  54  -4.618   6.176  -5.121
  204    HA   HIS  54           HA       HIS  54  -5.211   4.117  -6.792
  205    HB2  HIS  54           HB2      HIS  54  -6.692   5.630  -4.886
  206    HB3  HIS  54           HB3      HIS  54  -7.732   5.397  -6.289
  207    HD1  HIS  54           HD1      HIS  54  -7.088   2.653  -7.245
  208    HD2  HIS  54           HD2      HIS  54  -7.280   3.542  -3.176
  209    HE1  HIS  54           HE1      HIS  54  -7.515   0.458  -6.053
  210    H    GLY  55           H        GLY  55  -6.517   7.414  -7.309
  211    HA2  GLY  55           HA2      GLY  55  -6.178   8.157  -9.760
  212    HA3  GLY  55           HA3      GLY  55  -7.001   6.647 -10.155
  Start of MODEL   10
    1    H1   GLU  29           H1       GLU  29   5.603 -13.203   9.187
    2    H2   GLU  29           H2       GLU  29   4.302 -12.884   8.143
    3    H3   GLU  29           H3       GLU  29   4.299 -12.261   9.724
    4    HA   GLU  29           HA       GLU  29   5.020 -10.397   8.719
    5    HB2  GLU  29           HB2      GLU  29   7.488 -12.147   8.882
    6    HB3  GLU  29           HB3      GLU  29   7.553 -10.418   8.536
    7    HG2  GLU  29           HG2      GLU  29   7.606 -10.128  10.780
    8    HG3  GLU  29           HG3      GLU  29   5.893 -10.544  10.749
    9    H    LYS  30           H        LYS  30   3.920 -10.430   6.675
   10    HA   LYS  30           HA       LYS  30   5.722 -11.110   4.391
   11    HB2  LYS  30           HB2      LYS  30   3.560 -11.663   3.131
   12    HB3  LYS  30           HB3      LYS  30   4.070 -12.831   4.350
   13    HG2  LYS  30           HG2      LYS  30   2.418 -12.168   5.870
   14    HG3  LYS  30           HG3      LYS  30   2.217 -10.590   5.111
   15    HD2  LYS  30           HD2      LYS  30   1.027 -11.505   3.269
   16    HD3  LYS  30           HD3      LYS  30   1.525 -13.150   3.665
   17    HE2  LYS  30           HE2      LYS  30  -0.342 -11.399   5.290
   18    HE3  LYS  30           HE3      LYS  30  -0.791 -12.829   4.360
   19    HZ1  LYS  30           HZ1      LYS  30   1.148 -13.814   5.893
   20    HZ2  LYS  30           HZ2      LYS  30  -0.493 -13.847   6.324
   21    HZ3  LYS  30           HZ3      LYS  30   0.521 -12.630   6.939
   22    HA   PRO  31           HA       PRO  31   5.337  -7.010   2.858
   23    HB2  PRO  31           HB2      PRO  31   4.257  -8.273   0.368
   24    HB3  PRO  31           HB3      PRO  31   5.561  -7.085   0.555
   25    HG2  PRO  31           HG2      PRO  31   6.035  -9.688   0.102
   26    HG3  PRO  31           HG3      PRO  31   7.118  -8.669   1.062
   27    HD2  PRO  31           HD2      PRO  31   5.337 -10.848   1.960
   28    HD3  PRO  31           HD3      PRO  31   6.742 -10.131   2.777
   29    H    PHE  32           H        PHE  32   3.682  -5.731   3.582
   30    HA   PHE  32           HA       PHE  32   0.927  -6.589   3.610
   31    HB2  PHE  32           HB2      PHE  32   2.239  -3.898   4.059
   32    HB3  PHE  32           HB3      PHE  32   0.504  -4.161   4.230
   33    HD1  PHE  32           HD1      PHE  32  -0.348  -5.805   5.925
   34    HD2  PHE  32           HD2      PHE  32   3.783  -4.645   5.726
   35    HE1  PHE  32           HE1      PHE  32   0.012  -6.694   8.212
   36    HE2  PHE  32           HE2      PHE  32   4.143  -5.534   8.014
   37    HZ   PHE  32           HZ       PHE  32   2.257  -6.559   9.256
   38    H    SER  33           H        SER  33  -0.522  -6.481   1.964
   39    HA   SER  33           HA       SER  33   0.142  -4.703  -0.348
   40    HB2  SER  33           HB2      SER  33  -1.776  -6.984  -0.612
   41    HB3  SER  33           HB3      SER  33  -0.677  -6.302  -1.808
   42    HG   SER  33           HG       SER  33   0.726  -7.736  -1.210
   43    H    CYS  34           H        CYS  34  -1.697  -3.658  -1.401
   44    HA   CYS  34           HA       CYS  34  -3.633  -2.653   0.517
   45    HB2  CYS  34           HB2      CYS  34  -2.825  -1.182  -1.240
   46    HB3  CYS  34           HB3      CYS  34  -3.387  -2.298  -2.484
   47    H    SER  35           H        SER  35  -6.057  -2.575  -0.411
   48    HA   SER  35           HA       SER  35  -7.010  -5.299  -0.313
   49    HB2  SER  35           HB2      SER  35  -9.119  -3.721  -1.245
   50    HB3  SER  35           HB3      SER  35  -8.776  -4.113   0.436
   51    HG   SER  35           HG       SER  35  -7.896  -2.188   0.718
   52    H    LEU  36           H        LEU  36  -8.079  -3.014  -2.811
   53    HA   LEU  36           HA       LEU  36  -7.755  -5.208  -4.799
   54    HB2  LEU  36           HB2      LEU  36 -10.010  -4.122  -4.497
   55    HB3  LEU  36           HB3      LEU  36  -9.303  -2.618  -5.086
   56    HG   LEU  36           HG       LEU  36  -8.683  -3.726  -7.197
   57   HD11  LEU  36          HD11      LEU  36  -9.612  -6.104  -5.670
   58   HD12  LEU  36          HD12      LEU  36  -8.335  -5.972  -6.880
   59   HD13  LEU  36          HD13      LEU  36 -10.023  -6.061  -7.384
   60   HD21  LEU  36          HD21      LEU  36 -11.122  -4.328  -7.898
   61   HD22  LEU  36          HD22      LEU  36 -10.788  -2.683  -7.355
   62   HD23  LEU  36          HD23      LEU  36 -11.545  -3.838  -6.257
   63    H    CYS  37           H        CYS  37  -5.533  -4.931  -5.268
   64    HA   CYS  37           HA       CYS  37  -4.705  -3.447  -7.400
   65    HB2  CYS  37           HB2      CYS  37  -3.498  -1.484  -6.089
   66    HB3  CYS  37           HB3      CYS  37  -5.168  -1.309  -6.623
   67    HA   PRO  38           HA       PRO  38  -1.619  -6.377  -5.671
   68    HB2  PRO  38           HB2      PRO  38  -0.619  -5.866  -8.442
   69    HB3  PRO  38           HB3      PRO  38  -0.806  -7.403  -7.575
   70    HG2  PRO  38           HG2      PRO  38  -2.522  -6.644  -9.471
   71    HG3  PRO  38           HG3      PRO  38  -3.043  -7.551  -8.043
   72    HD2  PRO  38           HD2      PRO  38  -3.483  -4.684  -8.706
   73    HD3  PRO  38           HD3      PRO  38  -4.459  -5.773  -7.696
   74    H    GLN  39           H        GLN  39  -0.908  -4.482  -4.309
   75    HA   GLN  39           HA       GLN  39   1.710  -3.495  -5.282
   76    HB2  GLN  39           HB2      GLN  39   1.247  -1.197  -4.831
   77    HB3  GLN  39           HB3      GLN  39  -0.117  -1.772  -5.790
   78    HG2  GLN  39           HG2      GLN  39  -1.308  -0.782  -4.093
   79    HG3  GLN  39           HG3      GLN  39  -1.058  -2.357  -3.340
   80   HE21  GLN  39          HE21      GLN  39  -0.215   1.037  -3.168
   81   HE22  GLN  39          HE22      GLN  39   0.755   0.926  -1.780
   82    H    ARG  40           H        ARG  40   3.199  -3.499  -3.633
   83    HA   ARG  40           HA       ARG  40   2.142  -3.991  -0.880
   84    HB2  ARG  40           HB2      ARG  40   4.630  -4.841  -0.603
   85    HB3  ARG  40           HB3      ARG  40   3.416  -5.881  -1.349
   86    HG2  ARG  40           HG2      ARG  40   4.866  -4.008  -3.153
   87    HG3  ARG  40           HG3      ARG  40   5.786  -5.374  -2.519
   88    HD2  ARG  40           HD2      ARG  40   3.181  -5.500  -4.062
   89    HD3  ARG  40           HD3      ARG  40   4.763  -6.059  -4.607
   90    HE   ARG  40           HE       ARG  40   2.955  -7.529  -2.891
   91   HH11  ARG  40          HH11      ARG  40   6.254  -6.806  -3.583
   92   HH12  ARG  40          HH12      ARG  40   6.853  -8.308  -2.961
   93   HH21  ARG  40          HH21      ARG  40   3.717  -9.495  -2.076
   94   HH22  ARG  40          HH22      ARG  40   5.416  -9.830  -2.109
   95    H    SER  41           H        SER  41   2.695  -2.547   0.706
   96    HA   SER  41           HA       SER  41   4.734  -0.472   0.002
   97    HB2  SER  41           HB2      SER  41   3.243   0.825   1.820
   98    HB3  SER  41           HB3      SER  41   2.855   0.852   0.103
   99    HG   SER  41           HG       SER  41   1.713  -1.272   0.833
  100    H    ARG  42           H        ARG  42   5.822   0.474   1.950
  101    HA   ARG  42           HA       ARG  42   6.032  -1.564   4.132
  102    HB2  ARG  42           HB2      ARG  42   8.029  -1.073   2.462
  103    HB3  ARG  42           HB3      ARG  42   8.275   0.324   3.509
  104    HG2  ARG  42           HG2      ARG  42   8.669  -1.015   5.410
  105    HG3  ARG  42           HG3      ARG  42   7.938  -2.439   4.667
  106    HD2  ARG  42           HD2      ARG  42   9.835  -2.260   2.919
  107    HD3  ARG  42           HD3      ARG  42  10.618  -1.187   4.079
  108    HE   ARG  42           HE       ARG  42  10.394  -4.068   4.322
  109   HH11  ARG  42          HH11      ARG  42  10.482  -1.058   6.000
  110   HH12  ARG  42          HH12      ARG  42  11.111  -1.740   7.462
  111   HH21  ARG  42          HH21      ARG  42  11.214  -4.977   6.222
  112   HH22  ARG  42          HH22      ARG  42  11.526  -3.958   7.588
  113    H    ASP  43           H        ASP  43   5.080   1.569   3.392
  114    HA   ASP  43           HA       ASP  43   5.044   2.262   6.274
  115    HB2  ASP  43           HB2      ASP  43   6.383   3.885   4.108
  116    HB3  ASP  43           HB3      ASP  43   5.776   4.642   5.580
  117    H    PHE  44           H        PHE  44   3.551   4.140   6.669
  118    HA   PHE  44           HA       PHE  44   1.127   3.826   5.122
  119    HB2  PHE  44           HB2      PHE  44   1.360   4.478   7.613
  120    HB3  PHE  44           HB3      PHE  44   1.666   6.110   7.017
  121    HD1  PHE  44           HD1      PHE  44  -0.753   3.274   6.589
  122    HD2  PHE  44           HD2      PHE  44  -0.144   7.527   6.591
  123    HE1  PHE  44           HE1      PHE  44  -3.189   3.623   6.284
  124    HE2  PHE  44           HE2      PHE  44  -2.580   7.875   6.286
  125    HZ   PHE  44           HZ       PHE  44  -4.103   5.923   6.132
  126    H    SER  45           H        SER  45   3.634   6.339   5.317
  127    HA   SER  45           HA       SER  45   2.464   8.350   3.766
  128    HB2  SER  45           HB2      SER  45   5.308   7.640   3.182
  129    HB3  SER  45           HB3      SER  45   4.593   9.215   3.515
  130    HG   SER  45           HG       SER  45   4.277   7.593   5.629
  131    H    ALA  46           H        ALA  46   4.467   5.650   2.514
  132    HA   ALA  46           HA       ALA  46   3.899   6.213  -0.243
  133    HB1  ALA  46           HB1      ALA  46   4.395   3.489  -0.142
  134    HB2  ALA  46           HB2      ALA  46   5.216   4.091   1.299
  135    HB3  ALA  46           HB3      ALA  46   5.626   4.744  -0.287
  136    H    MET  47           H        MET  47   2.206   4.401   2.238
  137    HA   MET  47           HA       MET  47   0.407   3.039   0.410
  138    HB2  MET  47           HB2      MET  47   0.924   2.323   2.793
  139    HB3  MET  47           HB3      MET  47  -0.083   3.667   3.331
  140    HG2  MET  47           HG2      MET  47  -1.923   2.708   1.840
  141    HG3  MET  47           HG3      MET  47  -0.920   1.264   1.699
  142    HE1  MET  47           HE1      MET  47  -3.732   0.163   4.083
  143    HE2  MET  47           HE2      MET  47  -3.152   0.279   2.417
  144    HE3  MET  47           HE3      MET  47  -4.035   1.620   3.141
  145    H    THR  48           H        THR  48   0.398   6.121   2.125
  146    HA   THR  48           HA       THR  48  -2.367   6.754   1.724
  147    HB   THR  48           HB       THR  48  -1.313   9.194   1.754
  148    HG1  THR  48           HG1      THR  48   0.729   9.245   2.341
  149   HG21  THR  48          HG21      THR  48  -1.192   9.001   4.249
  150   HG22  THR  48          HG22      THR  48  -1.313   7.250   4.077
  151   HG23  THR  48          HG23      THR  48  -2.648   8.281   3.565
  152    H    LYS  49           H        LYS  49   0.527   7.731  -0.153
  153    HA   LYS  49           HA       LYS  49  -0.825   9.093  -2.225
  154    HB2  LYS  49           HB2      LYS  49   1.723   7.461  -2.215
  155    HB3  LYS  49           HB3      LYS  49   1.155   8.298  -3.662
  156    HG2  LYS  49           HG2      LYS  49   0.960  10.361  -2.027
  157    HG3  LYS  49           HG3      LYS  49   2.127   9.451  -1.066
  158    HD2  LYS  49           HD2      LYS  49   3.488   9.220  -3.233
  159    HD3  LYS  49           HD3      LYS  49   2.434  10.471  -3.894
  160    HE2  LYS  49           HE2      LYS  49   4.126  10.728  -1.390
  161    HE3  LYS  49           HE3      LYS  49   4.477  11.472  -2.950
  162    HZ1  LYS  49           HZ1      LYS  49   3.406  13.127  -1.737
  163    HZ2  LYS  49           HZ2      LYS  49   2.256  12.059  -1.091
  164    HZ3  LYS  49           HZ3      LYS  49   2.178  12.500  -2.730
  165    H    HIS  50           H        HIS  50  -0.215   5.652  -1.743
  166    HA   HIS  50           HA       HIS  50  -1.084   4.668  -4.241
  167    HB2  HIS  50           HB2      HIS  50  -0.245   2.954  -2.953
  168    HB3  HIS  50           HB3      HIS  50  -0.947   3.591  -1.465
  169    HD1  HIS  50           HD1      HIS  50  -3.165   3.205  -4.427
  170    HD2  HIS  50           HD2      HIS  50  -2.235   1.046  -0.986
  171    HE1  HIS  50           HE1      HIS  50  -4.944   1.429  -4.197
  172    H    LEU  51           H        LEU  51  -2.978   5.564  -1.353
  173    HA   LEU  51           HA       LEU  51  -5.501   4.743  -2.535
  174    HB2  LEU  51           HB2      LEU  51  -5.587   6.873  -0.490
  175    HB3  LEU  51           HB3      LEU  51  -6.405   5.312  -0.523
  176    HG   LEU  51           HG       LEU  51  -3.483   5.759   0.153
  177   HD11  LEU  51          HD11      LEU  51  -4.962   6.511   1.946
  178   HD12  LEU  51          HD12      LEU  51  -4.203   4.991   2.414
  179   HD13  LEU  51          HD13      LEU  51  -5.876   5.005   1.857
  180   HD21  LEU  51          HD21      LEU  51  -3.400   3.605  -0.632
  181   HD22  LEU  51          HD22      LEU  51  -5.134   3.358  -0.432
  182   HD23  LEU  51          HD23      LEU  51  -4.061   3.241   0.962
  183    H    ARG  52           H        ARG  52  -3.686   7.779  -2.339
  184    HA   ARG  52           HA       ARG  52  -5.786   9.334  -3.633
  185    HB2  ARG  52           HB2      ARG  52  -2.866   9.858  -3.028
  186    HB3  ARG  52           HB3      ARG  52  -3.867  11.014  -3.906
  187    HG2  ARG  52           HG2      ARG  52  -5.522  10.802  -1.942
  188    HG3  ARG  52           HG3      ARG  52  -4.193  10.038  -1.069
  189    HD2  ARG  52           HD2      ARG  52  -3.775  12.674  -2.461
  190    HD3  ARG  52           HD3      ARG  52  -4.500  12.620  -0.855
  191    HE   ARG  52           HE       ARG  52  -1.952  11.163  -1.184
  192   HH11  ARG  52          HH11      ARG  52  -3.699  13.959  -0.183
  193   HH12  ARG  52          HH12      ARG  52  -2.450  14.524   0.877
  194   HH21  ARG  52          HH21      ARG  52  -0.310  11.883   0.193
  195   HH22  ARG  52          HH22      ARG  52  -0.532  13.349   1.088
  196    H    THR  53           H        THR  53  -3.182   7.287  -4.636
  197    HA   THR  53           HA       THR  53  -3.261   8.316  -7.414
  198    HB   THR  53           HB       THR  53  -1.170   7.399  -5.973
  199    HG1  THR  53           HG1      THR  53  -1.242   6.639  -8.659
  200   HG21  THR  53          HG21      THR  53  -2.403   5.119  -5.937
  201   HG22  THR  53          HG22      THR  53  -0.689   5.123  -6.352
  202   HG23  THR  53          HG23      THR  53  -1.904   4.986  -7.623
  203    H    HIS  54           H        HIS  54  -4.826   6.024  -5.478
  204    HA   HIS  54           HA       HIS  54  -5.261   3.706  -6.784
  205    HB2  HIS  54           HB2      HIS  54  -6.890   5.404  -5.166
  206    HB3  HIS  54           HB3      HIS  54  -7.889   4.802  -6.488
  207    HD1  HIS  54           HD1      HIS  54  -6.945   2.006  -6.909
  208    HD2  HIS  54           HD2      HIS  54  -7.282   3.631  -3.084
  209    HE1  HIS  54           HE1      HIS  54  -7.161   0.049  -5.317
  210    H    GLY  55           H        GLY  55  -7.672   6.139  -7.687
  211    HA2  GLY  55           HA2      GLY  55  -8.551   6.703  -9.788
  212    HA3  GLY  55           HA3      GLY  55  -6.934   6.403 -10.430
  Start of MODEL   11
    1    H1   GLU  29           H1       GLU  29   7.372  -7.442   9.868
    2    H2   GLU  29           H2       GLU  29   6.800  -6.190  10.866
    3    H3   GLU  29           H3       GLU  29   8.140  -5.930   9.854
    4    HA   GLU  29           HA       GLU  29   5.318  -5.829   9.251
    5    HB2  GLU  29           HB2      GLU  29   7.872  -4.714   8.063
    6    HB3  GLU  29           HB3      GLU  29   6.273  -4.393   7.389
    7    HG2  GLU  29           HG2      GLU  29   6.458  -2.582   8.815
    8    HG3  GLU  29           HG3      GLU  29   5.727  -3.752   9.914
    9    H    LYS  30           H        LYS  30   4.401  -7.494   8.146
   10    HA   LYS  30           HA       LYS  30   6.053  -9.157   6.348
   11    HB2  LYS  30           HB2      LYS  30   3.699 -10.297   6.064
   12    HB3  LYS  30           HB3      LYS  30   4.594 -10.516   7.568
   13    HG2  LYS  30           HG2      LYS  30   3.281  -8.899   8.712
   14    HG3  LYS  30           HG3      LYS  30   2.614  -8.263   7.208
   15    HD2  LYS  30           HD2      LYS  30   1.001  -9.851   7.120
   16    HD3  LYS  30           HD3      LYS  30   2.122 -11.135   7.576
   17    HE2  LYS  30           HE2      LYS  30   1.256  -9.124   9.634
   18    HE3  LYS  30           HE3      LYS  30   0.190 -10.468   9.226
   19    HZ1  LYS  30           HZ1      LYS  30   2.953 -11.195   9.657
   20    HZ2  LYS  30           HZ2      LYS  30   1.535 -11.943  10.209
   21    HZ3  LYS  30           HZ3      LYS  30   2.160 -10.596  11.035
   22    HA   PRO  31           HA       PRO  31   5.189  -7.325   2.450
   23    HB2  PRO  31           HB2      PRO  31   3.840  -9.907   1.752
   24    HB3  PRO  31           HB3      PRO  31   5.077  -9.003   0.857
   25    HG2  PRO  31           HG2      PRO  31   5.649 -11.199   2.294
   26    HG3  PRO  31           HG3      PRO  31   6.792  -9.863   2.089
   27    HD2  PRO  31           HD2      PRO  31   5.313 -10.683   4.509
   28    HD3  PRO  31           HD3      PRO  31   6.765  -9.669   4.364
   29    H    PHE  32           H        PHE  32   3.549  -5.853   3.335
   30    HA   PHE  32           HA       PHE  32   0.753  -6.745   3.394
   31    HB2  PHE  32           HB2      PHE  32   2.274  -4.365   4.225
   32    HB3  PHE  32           HB3      PHE  32   0.682  -4.000   3.561
   33    HD1  PHE  32           HD1      PHE  32  -1.342  -5.261   4.489
   34    HD2  PHE  32           HD2      PHE  32   2.503  -5.259   6.404
   35    HE1  PHE  32           HE1      PHE  32  -2.397  -5.995   6.609
   36    HE2  PHE  32           HE2      PHE  32   1.448  -5.994   8.524
   37    HZ   PHE  32           HZ       PHE  32  -1.002  -6.362   8.627
   38    H    SER  33           H        SER  33  -0.480  -6.810   1.585
   39    HA   SER  33           HA       SER  33   0.327  -5.082  -0.716
   40    HB2  SER  33           HB2      SER  33  -1.396  -6.838  -1.829
   41    HB3  SER  33           HB3      SER  33   0.329  -7.162  -1.681
   42    HG   SER  33           HG       SER  33  -0.824  -7.791   0.619
   43    H    CYS  34           H        CYS  34  -1.472  -4.129  -1.971
   44    HA   CYS  34           HA       CYS  34  -3.517  -3.040  -0.198
   45    HB2  CYS  34           HB2      CYS  34  -2.457  -1.699  -2.018
   46    HB3  CYS  34           HB3      CYS  34  -3.233  -2.750  -3.205
   47    H    SER  35           H        SER  35  -5.851  -2.942  -1.397
   48    HA   SER  35           HA       SER  35  -6.716  -5.754  -1.485
   49    HB2  SER  35           HB2      SER  35  -8.985  -4.820  -1.485
   50    HB3  SER  35           HB3      SER  35  -8.020  -4.061  -0.222
   51    HG   SER  35           HG       SER  35  -8.321  -2.233  -1.194
   52    H    LEU  36           H        LEU  36  -7.533  -2.952  -3.571
   53    HA   LEU  36           HA       LEU  36  -7.497  -4.851  -5.881
   54    HB2  LEU  36           HB2      LEU  36  -9.690  -3.735  -5.330
   55    HB3  LEU  36           HB3      LEU  36  -8.929  -2.186  -5.702
   56    HG   LEU  36           HG       LEU  36  -8.344  -3.097  -7.972
   57   HD11  LEU  36          HD11      LEU  36  -8.459  -5.353  -8.138
   58   HD12  LEU  36          HD12      LEU  36 -10.198  -5.125  -8.316
   59   HD13  LEU  36          HD13      LEU  36  -9.513  -5.484  -6.731
   60   HD21  LEU  36          HD21      LEU  36 -10.292  -2.228  -8.752
   61   HD22  LEU  36          HD22      LEU  36 -10.712  -2.007  -7.053
   62   HD23  LEU  36          HD23      LEU  36 -11.264  -3.441  -7.919
   63    H    CYS  37           H        CYS  37  -5.295  -4.604  -6.413
   64    HA   CYS  37           HA       CYS  37  -4.418  -2.879  -8.297
   65    HB2  CYS  37           HB2      CYS  37  -3.168  -1.095  -6.833
   66    HB3  CYS  37           HB3      CYS  37  -4.871  -0.851  -7.220
   67    HA   PRO  38           HA       PRO  38  -1.360  -6.042  -7.012
   68    HB2  PRO  38           HB2      PRO  38  -0.294  -5.101  -9.641
   69    HB3  PRO  38           HB3      PRO  38  -0.511  -6.754  -9.039
   70    HG2  PRO  38           HG2      PRO  38  -2.177  -5.681 -10.825
   71    HG3  PRO  38           HG3      PRO  38  -2.736  -6.806  -9.576
   72    HD2  PRO  38           HD2      PRO  38  -3.148  -3.865  -9.772
   73    HD3  PRO  38           HD3      PRO  38  -4.151  -5.095  -8.972
   74    H    GLN  39           H        GLN  39  -0.727  -4.302  -5.368
   75    HA   GLN  39           HA       GLN  39   1.984  -3.344  -6.026
   76    HB2  GLN  39           HB2      GLN  39   1.582  -1.050  -5.484
   77    HB3  GLN  39           HB3      GLN  39   0.316  -1.502  -6.626
   78    HG2  GLN  39           HG2      GLN  39  -1.153  -2.027  -4.621
   79    HG3  GLN  39           HG3      GLN  39   0.082  -1.265  -3.618
   80   HE21  GLN  39          HE21      GLN  39  -1.551  -0.454  -6.746
   81   HE22  GLN  39          HE22      GLN  39  -1.869   1.159  -6.322
   82    H    ARG  40           H        ARG  40   3.291  -3.274  -4.188
   83    HA   ARG  40           HA       ARG  40   1.932  -3.978  -1.617
   84    HB2  ARG  40           HB2      ARG  40   4.447  -4.962  -2.907
   85    HB3  ARG  40           HB3      ARG  40   4.390  -4.876  -1.146
   86    HG2  ARG  40           HG2      ARG  40   2.658  -6.436  -0.991
   87    HG3  ARG  40           HG3      ARG  40   2.118  -6.150  -2.647
   88    HD2  ARG  40           HD2      ARG  40   3.950  -7.356  -3.565
   89    HD3  ARG  40           HD3      ARG  40   4.827  -7.341  -2.035
   90    HE   ARG  40           HE       ARG  40   2.621  -8.743  -1.333
   91   HH11  ARG  40          HH11      ARG  40   4.653  -8.838  -4.115
   92   HH12  ARG  40          HH12      ARG  40   4.406 -10.529  -4.402
   93   HH21  ARG  40          HH21      ARG  40   2.286 -10.952  -1.691
   94   HH22  ARG  40          HH22      ARG  40   3.066 -11.725  -3.030
   95    H    SER  41           H        SER  41   3.113  -3.209   0.343
   96    HA   SER  41           HA       SER  41   4.909  -0.893  -0.120
   97    HB2  SER  41           HB2      SER  41   3.482   0.402   1.585
   98    HB3  SER  41           HB3      SER  41   2.834   0.255  -0.046
   99    HG   SER  41           HG       SER  41   1.570  -1.484   0.690
  100    H    ARG  42           H        ARG  42   6.197  -0.393   1.743
  101    HA   ARG  42           HA       ARG  42   6.424  -2.655   3.631
  102    HB2  ARG  42           HB2      ARG  42   8.152  -0.291   2.926
  103    HB3  ARG  42           HB3      ARG  42   8.443  -1.194   4.414
  104    HG2  ARG  42           HG2      ARG  42   9.308  -2.967   3.299
  105    HG3  ARG  42           HG3      ARG  42   8.043  -2.917   2.070
  106    HD2  ARG  42           HD2      ARG  42  10.341  -0.947   2.169
  107    HD3  ARG  42           HD3      ARG  42  10.373  -2.425   1.206
  108    HE   ARG  42           HE       ARG  42   8.066  -0.647   0.744
  109   HH11  ARG  42          HH11      ARG  42  11.218  -1.733  -0.131
  110   HH12  ARG  42          HH12      ARG  42  11.108  -1.161  -1.762
  111   HH21  ARG  42          HH21      ARG  42   7.903   0.108  -1.381
  112   HH22  ARG  42          HH22      ARG  42   9.231  -0.117  -2.470
  113    H    ASP  43           H        ASP  43   5.981   0.887   3.745
  114    HA   ASP  43           HA       ASP  43   5.012   0.552   6.556
  115    HB2  ASP  43           HB2      ASP  43   7.034   2.158   5.762
  116    HB3  ASP  43           HB3      ASP  43   5.678   3.259   5.519
  117    H    PHE  44           H        PHE  44   3.184   2.015   7.151
  118    HA   PHE  44           HA       PHE  44   1.071   1.875   5.200
  119    HB2  PHE  44           HB2      PHE  44   0.999   2.003   7.842
  120    HB3  PHE  44           HB3      PHE  44   0.920   3.739   7.544
  121    HD1  PHE  44           HD1      PHE  44  -0.576   0.605   6.102
  122    HD2  PHE  44           HD2      PHE  44  -1.212   4.651   7.397
  123    HE1  PHE  44           HE1      PHE  44  -2.984   0.403   5.551
  124    HE2  PHE  44           HE2      PHE  44  -3.620   4.449   6.845
  125    HZ   PHE  44           HZ       PHE  44  -4.507   2.325   5.922
  126    H    SER  45           H        SER  45   3.281   4.432   6.222
  127    HA   SER  45           HA       SER  45   2.055   6.696   5.128
  128    HB2  SER  45           HB2      SER  45   4.325   6.516   6.334
  129    HB3  SER  45           HB3      SER  45   5.000   6.128   4.754
  130    HG   SER  45           HG       SER  45   5.103   8.256   4.690
  131    H    ALA  46           H        ALA  46   4.360   4.554   3.406
  132    HA   ALA  46           HA       ALA  46   3.889   5.727   0.835
  133    HB1  ALA  46           HB1      ALA  46   4.985   3.061   1.738
  134    HB2  ALA  46           HB2      ALA  46   5.857   4.419   1.030
  135    HB3  ALA  46           HB3      ALA  46   4.789   3.438   0.027
  136    H    MET  47           H        MET  47   2.306   3.119   2.612
  137    HA   MET  47           HA       MET  47   0.704   2.184   0.401
  138    HB2  MET  47           HB2      MET  47   1.161   0.954   2.595
  139    HB3  MET  47           HB3      MET  47  -0.036   2.019   3.331
  140    HG2  MET  47           HG2      MET  47  -1.781   0.969   2.316
  141    HG3  MET  47           HG3      MET  47  -0.898   0.753   0.805
  142    HE1  MET  47           HE1      MET  47  -2.704  -1.564   1.511
  143    HE2  MET  47           HE2      MET  47  -2.747  -0.933   3.164
  144    HE3  MET  47           HE3      MET  47  -2.260  -2.600   2.866
  145    H    THR  48           H        THR  48   0.376   4.785   2.739
  146    HA   THR  48           HA       THR  48  -2.434   5.265   2.283
  147    HB   THR  48           HB       THR  48  -1.939   7.514   3.275
  148    HG1  THR  48           HG1      THR  48   0.400   7.109   2.378
  149   HG21  THR  48          HG21      THR  48  -0.653   6.209   5.347
  150   HG22  THR  48          HG22      THR  48  -1.443   4.890   4.481
  151   HG23  THR  48          HG23      THR  48  -2.397   6.242   5.089
  152    H    LYS  49           H        LYS  49   0.526   6.817   0.981
  153    HA   LYS  49           HA       LYS  49  -0.718   8.684  -0.724
  154    HB2  LYS  49           HB2      LYS  49   1.767   7.019  -1.256
  155    HB3  LYS  49           HB3      LYS  49   1.299   8.451  -2.174
  156    HG2  LYS  49           HG2      LYS  49   1.207   9.127   0.599
  157    HG3  LYS  49           HG3      LYS  49   2.750   8.331   0.289
  158    HD2  LYS  49           HD2      LYS  49   3.195   9.868  -1.571
  159    HD3  LYS  49           HD3      LYS  49   1.633  10.646  -1.320
  160    HE2  LYS  49           HE2      LYS  49   4.019  10.640   0.537
  161    HE3  LYS  49           HE3      LYS  49   3.230  12.030  -0.207
  162    HZ1  LYS  49           HZ1      LYS  49   1.293  11.662   1.108
  163    HZ2  LYS  49           HZ2      LYS  49   2.629  11.676   2.153
  164    HZ3  LYS  49           HZ3      LYS  49   1.906  10.201   1.719
  165    H    HIS  50           H        HIS  50  -0.073   5.246  -1.163
  166    HA   HIS  50           HA       HIS  50  -0.853   4.912  -3.836
  167    HB2  HIS  50           HB2      HIS  50  -0.181   2.878  -3.054
  168    HB3  HIS  50           HB3      HIS  50  -0.745   3.219  -1.418
  169    HD1  HIS  50           HD1      HIS  50  -2.968   3.406  -4.452
  170    HD2  HIS  50           HD2      HIS  50  -2.375   0.920  -1.161
  171    HE1  HIS  50           HE1      HIS  50  -4.913   1.795  -4.417
  172    H    LEU  51           H        LEU  51  -2.922   4.851  -0.907
  173    HA   LEU  51           HA       LEU  51  -5.390   4.426  -2.236
  174    HB2  LEU  51           HB2      LEU  51  -4.642   5.830   0.326
  175    HB3  LEU  51           HB3      LEU  51  -6.315   5.819  -0.234
  176    HG   LEU  51           HG       LEU  51  -6.143   3.300  -0.407
  177   HD11  LEU  51          HD11      LEU  51  -3.699   3.132  -0.510
  178   HD12  LEU  51          HD12      LEU  51  -4.302   2.243   0.889
  179   HD13  LEU  51          HD13      LEU  51  -3.567   3.831   1.102
  180   HD21  LEU  51          HD21      LEU  51  -5.516   4.107   2.416
  181   HD22  LEU  51          HD22      LEU  51  -6.775   3.025   1.820
  182   HD23  LEU  51          HD23      LEU  51  -6.954   4.770   1.640
  183    H    ARG  52           H        ARG  52  -3.727   7.485  -1.439
  184    HA   ARG  52           HA       ARG  52  -5.716   9.130  -2.758
  185    HB2  ARG  52           HB2      ARG  52  -3.943   9.827  -0.983
  186    HB3  ARG  52           HB3      ARG  52  -2.839   9.939  -2.354
  187    HG2  ARG  52           HG2      ARG  52  -4.920  11.305  -3.377
  188    HG3  ARG  52           HG3      ARG  52  -5.183  11.638  -1.665
  189    HD2  ARG  52           HD2      ARG  52  -2.957  12.496  -3.441
  190    HD3  ARG  52           HD3      ARG  52  -3.705  13.341  -2.085
  191    HE   ARG  52           HE       ARG  52  -2.230  11.042  -1.158
  192   HH11  ARG  52          HH11      ARG  52  -1.961  14.256  -2.377
  193   HH12  ARG  52          HH12      ARG  52  -0.463  14.578  -1.573
  194   HH21  ARG  52          HH21      ARG  52  -0.274  11.445  -0.099
  195   HH22  ARG  52          HH22      ARG  52   0.493  12.987  -0.282
  196    H    THR  53           H        THR  53  -3.100   7.176  -3.807
  197    HA   THR  53           HA       THR  53  -2.954   8.561  -6.433
  198    HB   THR  53           HB       THR  53  -0.999   7.362  -4.859
  199    HG1  THR  53           HG1      THR  53  -1.097   7.906  -7.638
  200   HG21  THR  53          HG21      THR  53  -1.435   5.576  -7.261
  201   HG22  THR  53          HG22      THR  53  -2.009   5.148  -5.649
  202   HG23  THR  53          HG23      THR  53  -0.284   5.360  -5.943
  203    H    HIS  54           H        HIS  54  -4.712   6.147  -4.942
  204    HA   HIS  54           HA       HIS  54  -4.929   3.917  -6.459
  205    HB2  HIS  54           HB2      HIS  54  -6.793   5.494  -4.963
  206    HB3  HIS  54           HB3      HIS  54  -7.587   4.966  -6.444
  207    HD1  HIS  54           HD1      HIS  54  -6.796   2.225  -6.949
  208    HD2  HIS  54           HD2      HIS  54  -7.178   3.573  -3.023
  209    HE1  HIS  54           HE1      HIS  54  -7.111   0.162  -5.511
  210    H    GLY  55           H        GLY  55  -5.621   7.168  -7.595
  211    HA2  GLY  55           HA2      GLY  55  -6.412   6.064 -10.248
  212    HA3  GLY  55           HA3      GLY  55  -6.700   7.721  -9.717
  Start of MODEL   12
    1    H1   GLU  29           H1       GLU  29   9.010  -9.931   7.897
    2    H2   GLU  29           H2       GLU  29   8.683 -11.505   7.350
    3    H3   GLU  29           H3       GLU  29   8.627 -11.151   9.010
    4    HA   GLU  29           HA       GLU  29   6.395 -11.285   8.244
    5    HB2  GLU  29           HB2      GLU  29   7.472  -8.510   8.746
    6    HB3  GLU  29           HB3      GLU  29   5.745  -8.790   8.511
    7    HG2  GLU  29           HG2      GLU  29   6.172  -8.884  10.884
    8    HG3  GLU  29           HG3      GLU  29   5.869 -10.534  10.337
    9    H    LYS  30           H        LYS  30   4.785 -10.685   6.679
   10    HA   LYS  30           HA       LYS  30   5.928 -10.157   4.013
   11    HB2  LYS  30           HB2      LYS  30   3.486 -10.519   3.314
   12    HB3  LYS  30           HB3      LYS  30   4.303 -11.903   4.044
   13    HG2  LYS  30           HG2      LYS  30   3.293 -11.401   6.212
   14    HG3  LYS  30           HG3      LYS  30   2.538  -9.950   5.551
   15    HD2  LYS  30           HD2      LYS  30   2.027 -12.617   4.259
   16    HD3  LYS  30           HD3      LYS  30   1.136 -12.161   5.711
   17    HE2  LYS  30           HE2      LYS  30  -0.106 -10.613   4.607
   18    HE3  LYS  30           HE3      LYS  30   1.276 -10.036   3.676
   19    HZ1  LYS  30           HZ1      LYS  30   0.141 -12.684   3.097
   20    HZ2  LYS  30           HZ2      LYS  30   0.976 -11.625   2.068
   21    HZ3  LYS  30           HZ3      LYS  30  -0.635 -11.296   2.497
   22    HA   PRO  31           HA       PRO  31   4.903  -5.867   3.961
   23    HB2  PRO  31           HB2      PRO  31   4.427  -5.533   1.273
   24    HB3  PRO  31           HB3      PRO  31   6.047  -5.681   1.978
   25    HG2  PRO  31           HG2      PRO  31   4.401  -7.715   0.569
   26    HG3  PRO  31           HG3      PRO  31   6.152  -7.443   0.522
   27    HD2  PRO  31           HD2      PRO  31   4.991  -9.450   1.985
   28    HD3  PRO  31           HD3      PRO  31   6.532  -8.686   2.434
   29    H    PHE  32           H        PHE  32   3.030  -4.788   4.432
   30    HA   PHE  32           HA       PHE  32   0.470  -5.988   4.278
   31    HB2  PHE  32           HB2      PHE  32   1.077  -3.017   4.325
   32    HB3  PHE  32           HB3      PHE  32  -0.420  -3.791   4.845
   33    HD1  PHE  32           HD1      PHE  32  -0.302  -5.490   6.764
   34    HD2  PHE  32           HD2      PHE  32   2.897  -2.781   5.818
   35    HE1  PHE  32           HE1      PHE  32   0.655  -5.828   9.027
   36    HE2  PHE  32           HE2      PHE  32   3.853  -3.121   8.081
   37    HZ   PHE  32           HZ       PHE  32   2.733  -4.644   9.685
   38    H    SER  33           H        SER  33  -0.614  -6.499   2.441
   39    HA   SER  33           HA       SER  33  -0.036  -5.145  -0.085
   40    HB2  SER  33           HB2      SER  33  -2.056  -6.638  -0.815
   41    HB3  SER  33           HB3      SER  33  -0.531  -7.413  -0.395
   42    HG   SER  33           HG       SER  33  -2.969  -7.419   0.908
   43    H    CYS  34           H        CYS  34  -2.003  -4.349  -1.420
   44    HA   CYS  34           HA       CYS  34  -3.369  -2.319   0.188
   45    HB2  CYS  34           HB2      CYS  34  -2.595  -1.655  -2.000
   46    HB3  CYS  34           HB3      CYS  34  -3.451  -2.994  -2.764
   47    H    SER  35           H        SER  35  -5.840  -2.009  -0.537
   48    HA   SER  35           HA       SER  35  -7.218  -4.384   0.450
   49    HB2  SER  35           HB2      SER  35  -7.743  -1.633   0.420
   50    HB3  SER  35           HB3      SER  35  -8.957  -2.326  -0.651
   51    HG   SER  35           HG       SER  35  -9.499  -3.769   1.023
   52    H    LEU  36           H        LEU  36  -7.356  -2.505  -2.609
   53    HA   LEU  36           HA       LEU  36  -8.129  -5.043  -3.970
   54    HB2  LEU  36           HB2      LEU  36 -10.136  -3.528  -3.485
   55    HB3  LEU  36           HB3      LEU  36  -9.427  -2.395  -4.637
   56    HG   LEU  36           HG       LEU  36  -9.548  -5.177  -5.602
   57   HD11  LEU  36          HD11      LEU  36 -11.921  -5.253  -5.951
   58   HD12  LEU  36          HD12      LEU  36 -12.125  -3.612  -5.339
   59   HD13  LEU  36          HD13      LEU  36 -11.674  -4.914  -4.239
   60   HD21  LEU  36          HD21      LEU  36  -9.918  -4.122  -7.646
   61   HD22  LEU  36          HD22      LEU  36  -9.031  -2.867  -6.779
   62   HD23  LEU  36          HD23      LEU  36 -10.787  -2.776  -6.909
   63    H    CYS  37           H        CYS  37  -6.183  -5.273  -5.044
   64    HA   CYS  37           HA       CYS  37  -5.579  -4.350  -7.482
   65    HB2  CYS  37           HB2      CYS  37  -3.999  -2.338  -7.016
   66    HB3  CYS  37           HB3      CYS  37  -5.733  -2.033  -7.059
   67    HA   PRO  38           HA       PRO  38  -2.009  -6.734  -6.374
   68    HB2  PRO  38           HB2      PRO  38  -0.623  -6.561  -8.716
   69    HB3  PRO  38           HB3      PRO  38  -2.086  -7.548  -8.533
   70    HG2  PRO  38           HG2      PRO  38  -1.752  -4.871  -9.781
   71    HG3  PRO  38           HG3      PRO  38  -2.779  -6.228 -10.272
   72    HD2  PRO  38           HD2      PRO  38  -3.711  -4.013  -8.911
   73    HD3  PRO  38           HD3      PRO  38  -4.493  -5.609  -8.865
   74    H    GLN  39           H        GLN  39  -1.402  -4.828  -4.857
   75    HA   GLN  39           HA       GLN  39   1.293  -3.914  -5.618
   76    HB2  GLN  39           HB2      GLN  39   0.908  -1.614  -5.507
   77    HB3  GLN  39           HB3      GLN  39  -0.554  -2.175  -6.317
   78    HG2  GLN  39           HG2      GLN  39  -1.695  -2.273  -4.096
   79    HG3  GLN  39           HG3      GLN  39  -0.249  -1.585  -3.358
   80   HE21  GLN  39          HE21      GLN  39  -2.989  -0.865  -5.487
   81   HE22  GLN  39          HE22      GLN  39  -2.758   0.816  -5.505
   82    H    ARG  40           H        ARG  40   2.567  -3.399  -3.767
   83    HA   ARG  40           HA       ARG  40   1.216  -3.737  -1.131
   84    HB2  ARG  40           HB2      ARG  40   2.899  -5.285  -0.373
   85    HB3  ARG  40           HB3      ARG  40   2.289  -5.896  -1.911
   86    HG2  ARG  40           HG2      ARG  40   4.248  -4.481  -2.937
   87    HG3  ARG  40           HG3      ARG  40   4.925  -4.585  -1.311
   88    HD2  ARG  40           HD2      ARG  40   4.316  -7.153  -1.584
   89    HD3  ARG  40           HD3      ARG  40   4.429  -6.766  -3.301
   90    HE   ARG  40           HE       ARG  40   6.711  -5.834  -1.717
   91   HH11  ARG  40          HH11      ARG  40   5.248  -8.362  -3.549
   92   HH12  ARG  40          HH12      ARG  40   6.751  -9.127  -3.943
   93   HH21  ARG  40          HH21      ARG  40   8.681  -6.820  -2.217
   94   HH22  ARG  40          HH22      ARG  40   8.695  -8.255  -3.187
   95    H    SER  41           H        SER  41   2.235  -2.608   0.583
   96    HA   SER  41           HA       SER  41   4.514  -0.847  -0.225
   97    HB2  SER  41           HB2      SER  41   3.339   0.784   1.483
   98    HB3  SER  41           HB3      SER  41   2.782   0.710  -0.186
   99    HG   SER  41           HG       SER  41   1.727  -0.934   1.863
  100    H    ARG  42           H        ARG  42   5.710  -0.001   1.730
  101    HA   ARG  42           HA       ARG  42   5.838  -2.146   3.795
  102    HB2  ARG  42           HB2      ARG  42   7.815  -0.474   2.432
  103    HB3  ARG  42           HB3      ARG  42   8.019  -0.469   4.185
  104    HG2  ARG  42           HG2      ARG  42   7.684  -3.004   2.563
  105    HG3  ARG  42           HG3      ARG  42   9.257  -2.325   2.984
  106    HD2  ARG  42           HD2      ARG  42   7.915  -2.315   5.405
  107    HD3  ARG  42           HD3      ARG  42   7.362  -3.813   4.656
  108    HE   ARG  42           HE       ARG  42  10.013  -4.049   4.261
  109   HH11  ARG  42          HH11      ARG  42   8.200  -2.924   6.968
  110   HH12  ARG  42          HH12      ARG  42   9.372  -3.434   8.135
  111   HH21  ARG  42          HH21      ARG  42  11.556  -4.723   5.769
  112   HH22  ARG  42          HH22      ARG  42  11.274  -4.452   7.456
  113    H    ASP  43           H        ASP  43   5.877   1.412   3.473
  114    HA   ASP  43           HA       ASP  43   5.009   1.559   6.331
  115    HB2  ASP  43           HB2      ASP  43   7.193   2.741   5.346
  116    HB3  ASP  43           HB3      ASP  43   6.015   3.969   4.879
  117    H    PHE  44           H        PHE  44   3.388   3.258   6.806
  118    HA   PHE  44           HA       PHE  44   1.151   3.165   5.054
  119    HB2  PHE  44           HB2      PHE  44   1.185   3.755   7.552
  120    HB3  PHE  44           HB3      PHE  44   1.645   5.381   7.048
  121    HD1  PHE  44           HD1      PHE  44  -0.822   2.761   5.956
  122    HD2  PHE  44           HD2      PHE  44  -0.107   6.896   6.877
  123    HE1  PHE  44           HE1      PHE  44  -3.195   3.283   5.457
  124    HE2  PHE  44           HE2      PHE  44  -2.479   7.417   6.379
  125    HZ   PHE  44           HZ       PHE  44  -4.024   5.611   5.669
  126    H    SER  45           H        SER  45   3.751   5.547   5.392
  127    HA   SER  45           HA       SER  45   2.741   7.662   3.867
  128    HB2  SER  45           HB2      SER  45   5.368   6.699   4.638
  129    HB3  SER  45           HB3      SER  45   5.403   7.375   3.012
  130    HG   SER  45           HG       SER  45   5.713   8.950   4.678
  131    H    ALA  46           H        ALA  46   4.696   4.951   2.558
  132    HA   ALA  46           HA       ALA  46   4.159   5.611  -0.181
  133    HB1  ALA  46           HB1      ALA  46   5.802   4.077  -0.371
  134    HB2  ALA  46           HB2      ALA  46   4.598   2.831  -0.044
  135    HB3  ALA  46           HB3      ALA  46   5.535   3.521   1.282
  136    H    MET  47           H        MET  47   2.466   3.617   2.186
  137    HA   MET  47           HA       MET  47   0.656   2.418   0.267
  138    HB2  MET  47           HB2      MET  47   1.206   1.610   2.660
  139    HB3  MET  47           HB3      MET  47   0.051   2.830   3.196
  140    HG2  MET  47           HG2      MET  47  -1.055   1.307   0.999
  141    HG3  MET  47           HG3      MET  47  -0.535   0.226   2.292
  142    HE1  MET  47           HE1      MET  47  -2.817  -0.334   1.889
  143    HE2  MET  47           HE2      MET  47  -4.261   0.461   2.529
  144    HE3  MET  47           HE3      MET  47  -3.191  -0.430   3.608
  145    H    THR  48           H        THR  48   0.718   5.413   2.089
  146    HA   THR  48           HA       THR  48  -2.077   6.057   1.724
  147    HB   THR  48           HB       THR  48  -1.121   8.462   2.117
  148    HG1  THR  48           HG1      THR  48   0.979   8.366   1.939
  149   HG21  THR  48          HG21      THR  48  -2.190   7.696   3.987
  150   HG22  THR  48          HG22      THR  48  -0.540   7.545   4.594
  151   HG23  THR  48          HG23      THR  48  -1.373   6.134   3.940
  152    H    LYS  49           H        LYS  49   0.893   7.186   0.061
  153    HA   LYS  49           HA       LYS  49  -0.335   8.799  -1.890
  154    HB2  LYS  49           HB2      LYS  49   2.062   6.965  -2.220
  155    HB3  LYS  49           HB3      LYS  49   1.628   8.271  -3.321
  156    HG2  LYS  49           HG2      LYS  49   1.646   9.334  -0.669
  157    HG3  LYS  49           HG3      LYS  49   3.147   8.437  -0.905
  158    HD2  LYS  49           HD2      LYS  49   3.743   9.731  -2.813
  159    HD3  LYS  49           HD3      LYS  49   2.120  10.407  -2.955
  160    HE2  LYS  49           HE2      LYS  49   2.412  11.834  -1.122
  161    HE3  LYS  49           HE3      LYS  49   3.719  10.860  -0.449
  162    HZ1  LYS  49           HZ1      LYS  49   5.027  11.495  -2.472
  163    HZ2  LYS  49           HZ2      LYS  49   4.708  12.763  -1.392
  164    HZ3  LYS  49           HZ3      LYS  49   3.809  12.626  -2.826
  165    H    HIS  50           H        HIS  50   0.152   5.304  -1.801
  166    HA   HIS  50           HA       HIS  50  -0.718   4.603  -4.375
  167    HB2  HIS  50           HB2      HIS  50  -0.041   2.727  -3.233
  168    HB3  HIS  50           HB3      HIS  50  -0.725   3.286  -1.705
  169    HD1  HIS  50           HD1      HIS  50  -2.848   3.235  -4.781
  170    HD2  HIS  50           HD2      HIS  50  -2.252   0.877  -1.396
  171    HE1  HIS  50           HE1      HIS  50  -4.770   1.596  -4.706
  172    H    LEU  51           H        LEU  51  -2.681   5.252  -1.458
  173    HA   LEU  51           HA       LEU  51  -5.198   4.722  -2.770
  174    HB2  LEU  51           HB2      LEU  51  -5.156   6.717  -0.571
  175    HB3  LEU  51           HB3      LEU  51  -6.151   5.274  -0.762
  176    HG   LEU  51           HG       LEU  51  -3.227   5.313   0.041
  177   HD11  LEU  51          HD11      LEU  51  -4.463   4.158   2.104
  178   HD12  LEU  51          HD12      LEU  51  -5.811   5.139   1.530
  179   HD13  LEU  51          HD13      LEU  51  -4.298   5.911   2.000
  180   HD21  LEU  51          HD21      LEU  51  -4.887   3.261  -1.107
  181   HD22  LEU  51          HD22      LEU  51  -4.493   2.822   0.554
  182   HD23  LEU  51          HD23      LEU  51  -3.202   3.153  -0.600
  183    H    ARG  52           H        ARG  52  -3.260   7.656  -2.258
  184    HA   ARG  52           HA       ARG  52  -5.202   9.408  -3.523
  185    HB2  ARG  52           HB2      ARG  52  -2.219   9.820  -3.129
  186    HB3  ARG  52           HB3      ARG  52  -3.407  11.075  -3.484
  187    HG2  ARG  52           HG2      ARG  52  -4.268   9.538  -1.198
  188    HG3  ARG  52           HG3      ARG  52  -2.628  10.132  -0.935
  189    HD2  ARG  52           HD2      ARG  52  -3.323  12.411  -1.425
  190    HD3  ARG  52           HD3      ARG  52  -4.941  11.861  -1.857
  191    HE   ARG  52           HE       ARG  52  -5.447  11.670   0.451
  192   HH11  ARG  52          HH11      ARG  52  -2.075  12.077  -0.151
  193   HH12  ARG  52          HH12      ARG  52  -1.672  12.321   1.516
  194   HH21  ARG  52          HH21      ARG  52  -4.939  11.986   2.630
  195   HH22  ARG  52          HH22      ARG  52  -3.293  12.270   3.090
  196    H    THR  53           H        THR  53  -2.819   7.186  -4.604
  197    HA   THR  53           HA       THR  53  -2.788   8.377  -7.332
  198    HB   THR  53           HB       THR  53  -0.750   7.287  -5.843
  199    HG1  THR  53           HG1      THR  53  -0.799   7.037  -8.645
  200   HG21  THR  53          HG21      THR  53  -1.927   5.038  -6.165
  201   HG22  THR  53          HG22      THR  53  -0.228   5.102  -6.636
  202   HG23  THR  53          HG23      THR  53  -1.489   5.169  -7.868
  203    H    HIS  54           H        HIS  54  -4.544   6.193  -5.537
  204    HA   HIS  54           HA       HIS  54  -4.931   3.871  -6.950
  205    HB2  HIS  54           HB2      HIS  54  -6.490   5.430  -5.165
  206    HB3  HIS  54           HB3      HIS  54  -7.539   5.027  -6.522
  207    HD1  HIS  54           HD1      HIS  54  -6.786   2.262  -7.275
  208    HD2  HIS  54           HD2      HIS  54  -6.882   3.452  -3.281
  209    HE1  HIS  54           HE1      HIS  54  -7.055   0.149  -5.906
  210    H    GLY  55           H        GLY  55  -6.057   3.243  -8.846
  211    HA2  GLY  55           HA2      GLY  55  -6.031   5.182 -10.998
  212    HA3  GLY  55           HA3      GLY  55  -6.617   3.522 -11.117
  Start of MODEL   13
    1    H1   GLU  29           H1       GLU  29   7.945  -6.231  11.004
    2    H2   GLU  29           H2       GLU  29   8.565  -7.212   9.763
    3    H3   GLU  29           H3       GLU  29   7.404  -7.830  10.838
    4    HA   GLU  29           HA       GLU  29   5.699  -6.488   9.958
    5    HB2  GLU  29           HB2      GLU  29   6.939  -4.418   9.702
    6    HB3  GLU  29           HB3      GLU  29   7.954  -5.133   8.450
    7    HG2  GLU  29           HG2      GLU  29   6.024  -5.387   6.976
    8    HG3  GLU  29           HG3      GLU  29   4.950  -4.783   8.239
    9    H    LYS  30           H        LYS  30   4.525  -7.557   8.413
   10    HA   LYS  30           HA       LYS  30   6.044  -9.317   6.547
   11    HB2  LYS  30           HB2      LYS  30   3.082  -9.460   7.128
   12    HB3  LYS  30           HB3      LYS  30   4.130 -10.727   6.493
   13    HG2  LYS  30           HG2      LYS  30   4.525 -11.443   8.587
   14    HG3  LYS  30           HG3      LYS  30   5.227  -9.874   8.984
   15    HD2  LYS  30           HD2      LYS  30   3.033  -8.990   9.569
   16    HD3  LYS  30           HD3      LYS  30   2.260 -10.491   9.062
   17    HE2  LYS  30           HE2      LYS  30   3.675 -11.688  10.789
   18    HE3  LYS  30           HE3      LYS  30   4.163 -10.101  11.384
   19    HZ1  LYS  30           HZ1      LYS  30   2.341 -10.677  12.687
   20    HZ2  LYS  30           HZ2      LYS  30   1.471 -11.315  11.379
   21    HZ3  LYS  30           HZ3      LYS  30   1.680  -9.634  11.520
   22    HA   PRO  31           HA       PRO  31   5.169  -7.131   2.837
   23    HB2  PRO  31           HB2      PRO  31   3.657  -9.581   2.006
   24    HB3  PRO  31           HB3      PRO  31   4.898  -8.669   1.123
   25    HG2  PRO  31           HG2      PRO  31   5.426 -10.990   2.365
   26    HG3  PRO  31           HG3      PRO  31   6.621  -9.692   2.212
   27    HD2  PRO  31           HD2      PRO  31   5.208 -10.637   4.624
   28    HD3  PRO  31           HD3      PRO  31   6.693  -9.669   4.496
   29    H    PHE  32           H        PHE  32   3.577  -5.650   2.371
   30    HA   PHE  32           HA       PHE  32   0.771  -6.362   3.128
   31    HB2  PHE  32           HB2      PHE  32   2.371  -4.351   4.245
   32    HB3  PHE  32           HB3      PHE  32   1.303  -3.502   3.127
   33    HD1  PHE  32           HD1      PHE  32  -1.141  -3.598   3.393
   34    HD2  PHE  32           HD2      PHE  32   1.493  -5.530   6.182
   35    HE1  PHE  32           HE1      PHE  32  -3.016  -3.836   4.998
   36    HE2  PHE  32           HE2      PHE  32  -0.382  -5.767   7.788
   37    HZ   PHE  32           HZ       PHE  32  -2.637  -4.920   7.195
   38    H    SER  33           H        SER  33  -0.289  -6.640   1.221
   39    HA   SER  33           HA       SER  33   0.305  -4.725  -0.995
   40    HB2  SER  33           HB2      SER  33  -1.298  -7.141  -1.583
   41    HB3  SER  33           HB3      SER  33   0.027  -6.422  -2.494
   42    HG   SER  33           HG       SER  33   0.334  -7.817  -0.039
   43    H    CYS  34           H        CYS  34  -1.526  -3.812  -2.123
   44    HA   CYS  34           HA       CYS  34  -3.783  -3.261  -0.367
   45    HB2  CYS  34           HB2      CYS  34  -2.809  -1.603  -1.992
   46    HB3  CYS  34           HB3      CYS  34  -3.484  -2.571  -3.303
   47    H    SER  35           H        SER  35  -6.063  -3.337  -1.657
   48    HA   SER  35           HA       SER  35  -6.545  -6.199  -2.092
   49    HB2  SER  35           HB2      SER  35  -8.319  -3.759  -1.961
   50    HB3  SER  35           HB3      SER  35  -8.947  -5.333  -2.446
   51    HG   SER  35           HG       SER  35  -9.084  -5.670  -0.377
   52    H    LEU  36           H        LEU  36  -8.210  -3.742  -3.981
   53    HA   LEU  36           HA       LEU  36  -7.491  -5.227  -6.432
   54    HB2  LEU  36           HB2      LEU  36  -9.867  -4.494  -5.933
   55    HB3  LEU  36           HB3      LEU  36  -9.327  -2.832  -6.169
   56    HG   LEU  36           HG       LEU  36  -8.813  -4.948  -8.255
   57   HD11  LEU  36          HD11      LEU  36 -10.882  -3.950  -9.387
   58   HD12  LEU  36          HD12      LEU  36 -11.301  -3.292  -7.805
   59   HD13  LEU  36          HD13      LEU  36 -11.183  -5.037  -8.031
   60   HD21  LEU  36          HD21      LEU  36  -8.736  -1.956  -8.055
   61   HD22  LEU  36          HD22      LEU  36  -9.100  -2.689  -9.617
   62   HD23  LEU  36          HD23      LEU  36  -7.579  -3.055  -8.803
   63    H    CYS  37           H        CYS  37  -5.325  -4.593  -6.709
   64    HA   CYS  37           HA       CYS  37  -4.650  -2.529  -8.369
   65    HB2  CYS  37           HB2      CYS  37  -3.653  -0.884  -6.536
   66    HB3  CYS  37           HB3      CYS  37  -5.325  -0.725  -7.074
   67    HA   PRO  38           HA       PRO  38  -1.335  -5.553  -7.353
   68    HB2  PRO  38           HB2      PRO  38  -0.396  -4.272  -9.889
   69    HB3  PRO  38           HB3      PRO  38  -0.430  -5.987  -9.436
   70    HG2  PRO  38           HG2      PRO  38  -2.226  -4.943 -11.109
   71    HG3  PRO  38           HG3      PRO  38  -2.648  -6.223  -9.961
   72    HD2  PRO  38           HD2      PRO  38  -3.369  -3.340  -9.902
   73    HD3  PRO  38           HD3      PRO  38  -4.219  -4.731  -9.196
   74    H    GLN  39           H        GLN  39  -0.788  -4.003  -5.539
   75    HA   GLN  39           HA       GLN  39   1.759  -2.636  -6.162
   76    HB2  GLN  39           HB2      GLN  39   1.135  -0.519  -5.329
   77    HB3  GLN  39           HB3      GLN  39  -0.247  -0.994  -6.318
   78    HG2  GLN  39           HG2      GLN  39  -1.343  -0.362  -4.378
   79    HG3  GLN  39           HG3      GLN  39  -1.075  -2.071  -4.035
   80   HE21  GLN  39          HE21      GLN  39   1.356   0.570  -3.957
   81   HE22  GLN  39          HE22      GLN  39   1.720   0.393  -2.309
   82    H    ARG  40           H        ARG  40   3.199  -2.843  -4.475
   83    HA   ARG  40           HA       ARG  40   2.102  -3.792  -1.859
   84    HB2  ARG  40           HB2      ARG  40   4.800  -4.713  -2.758
   85    HB3  ARG  40           HB3      ARG  40   3.612  -5.539  -1.748
   86    HG2  ARG  40           HG2      ARG  40   2.157  -5.630  -3.889
   87    HG3  ARG  40           HG3      ARG  40   3.651  -5.259  -4.750
   88    HD2  ARG  40           HD2      ARG  40   3.193  -7.722  -4.557
   89    HD3  ARG  40           HD3      ARG  40   4.731  -7.234  -3.844
   90    HE   ARG  40           HE       ARG  40   2.470  -7.319  -1.968
   91   HH11  ARG  40          HH11      ARG  40   5.151  -8.901  -3.450
   92   HH12  ARG  40          HH12      ARG  40   5.337 -10.063  -2.179
   93   HH21  ARG  40          HH21      ARG  40   2.700  -8.825  -0.300
   94   HH22  ARG  40          HH22      ARG  40   3.950 -10.020  -0.395
   95    H    SER  41           H        SER  41   2.757  -2.525  -0.186
   96    HA   SER  41           HA       SER  41   5.153  -0.785  -0.632
   97    HB2  SER  41           HB2      SER  41   4.062   0.975   0.364
   98    HB3  SER  41           HB3      SER  41   2.646   0.114  -0.230
   99    HG   SER  41           HG       SER  41   3.820  -0.314   2.318
  100    H    ARG  42           H        ARG  42   5.558   0.074   1.956
  101    HA   ARG  42           HA       ARG  42   6.002  -2.456   3.487
  102    HB2  ARG  42           HB2      ARG  42   7.923  -0.134   3.132
  103    HB3  ARG  42           HB3      ARG  42   8.178  -1.487   4.234
  104    HG2  ARG  42           HG2      ARG  42   7.550  -2.131   1.388
  105    HG3  ARG  42           HG3      ARG  42   9.159  -1.503   1.745
  106    HD2  ARG  42           HD2      ARG  42   9.280  -3.266   3.597
  107    HD3  ARG  42           HD3      ARG  42   7.843  -3.984   2.866
  108    HE   ARG  42           HE       ARG  42  10.536  -4.171   1.825
  109   HH11  ARG  42          HH11      ARG  42   7.195  -3.899   1.021
  110   HH12  ARG  42          HH12      ARG  42   7.361  -4.691  -0.510
  111   HH21  ARG  42          HH21      ARG  42  10.773  -5.208  -0.171
  112   HH22  ARG  42          HH22      ARG  42   9.386  -5.432  -1.184
  113    H    ASP  43           H        ASP  43   5.883   1.109   3.696
  114    HA   ASP  43           HA       ASP  43   4.856   0.794   6.489
  115    HB2  ASP  43           HB2      ASP  43   6.957   2.392   5.473
  116    HB3  ASP  43           HB3      ASP  43   5.635   3.500   5.842
  117    H    PHE  44           H        PHE  44   3.384   2.795   7.056
  118    HA   PHE  44           HA       PHE  44   1.174   2.753   5.169
  119    HB2  PHE  44           HB2      PHE  44   1.397   3.197   7.883
  120    HB3  PHE  44           HB3      PHE  44   1.080   4.816   7.257
  121    HD1  PHE  44           HD1      PHE  44  -0.083   1.299   6.617
  122    HD2  PHE  44           HD2      PHE  44  -1.155   5.433   7.077
  123    HE1  PHE  44           HE1      PHE  44  -2.472   0.714   6.307
  124    HE2  PHE  44           HE2      PHE  44  -3.544   4.848   6.768
  125    HZ   PHE  44           HZ       PHE  44  -4.203   2.488   6.383
  126    H    SER  45           H        SER  45   3.720   5.043   6.026
  127    HA   SER  45           HA       SER  45   2.741   7.387   4.829
  128    HB2  SER  45           HB2      SER  45   5.608   6.464   4.559
  129    HB3  SER  45           HB3      SER  45   5.008   8.118   4.667
  130    HG   SER  45           HG       SER  45   4.090   6.930   6.783
  131    H    ALA  46           H        ALA  46   4.422   4.646   3.288
  132    HA   ALA  46           HA       ALA  46   4.106   5.873   0.630
  133    HB1  ALA  46           HB1      ALA  46   5.189   3.780  -0.171
  134    HB2  ALA  46           HB2      ALA  46   5.152   3.153   1.477
  135    HB3  ALA  46           HB3      ALA  46   6.130   4.569   1.094
  136    H    MET  47           H        MET  47   2.646   3.296   2.561
  137    HA   MET  47           HA       MET  47   1.025   2.227   0.424
  138    HB2  MET  47           HB2      MET  47   1.603   1.186   2.745
  139    HB3  MET  47           HB3      MET  47   0.228   2.125   3.326
  140    HG2  MET  47           HG2      MET  47  -1.009   0.336   2.676
  141    HG3  MET  47           HG3      MET  47  -0.802   0.988   1.050
  142    HE1  MET  47           HE1      MET  47  -1.301  -1.033   0.054
  143    HE2  MET  47           HE2      MET  47  -1.322  -2.246   1.342
  144    HE3  MET  47           HE3      MET  47  -0.301  -2.477  -0.076
  145    H    THR  48           H        THR  48   0.690   4.925   2.633
  146    HA   THR  48           HA       THR  48  -2.150   5.289   2.286
  147    HB   THR  48           HB       THR  48  -1.475   7.736   2.940
  148    HG1  THR  48           HG1      THR  48   0.573   7.783   3.920
  149   HG21  THR  48          HG21      THR  48  -0.986   6.837   5.333
  150   HG22  THR  48          HG22      THR  48  -1.234   5.246   4.613
  151   HG23  THR  48          HG23      THR  48  -2.533   6.438   4.586
  152    H    LYS  49           H        LYS  49   0.700   6.746   0.696
  153    HA   LYS  49           HA       LYS  49  -0.643   8.522  -1.031
  154    HB2  LYS  49           HB2      LYS  49   1.851   6.856  -1.459
  155    HB3  LYS  49           HB3      LYS  49   1.295   8.059  -2.623
  156    HG2  LYS  49           HG2      LYS  49   1.451   9.820  -0.943
  157    HG3  LYS  49           HG3      LYS  49   1.886   8.640   0.294
  158    HD2  LYS  49           HD2      LYS  49   4.047   8.598  -0.365
  159    HD3  LYS  49           HD3      LYS  49   3.602   8.459  -2.065
  160    HE2  LYS  49           HE2      LYS  49   3.202  10.869  -2.194
  161    HE3  LYS  49           HE3      LYS  49   3.551  11.039  -0.473
  162    HZ1  LYS  49           HZ1      LYS  49   5.366  11.267  -2.462
  163    HZ2  LYS  49           HZ2      LYS  49   5.611   9.672  -1.940
  164    HZ3  LYS  49           HZ3      LYS  49   5.734  10.955  -0.834
  165    H    HIS  50           H        HIS  50  -0.080   5.049  -1.306
  166    HA   HIS  50           HA       HIS  50  -0.983   4.606  -3.929
  167    HB2  HIS  50           HB2      HIS  50  -0.224   2.638  -3.024
  168    HB3  HIS  50           HB3      HIS  50  -0.868   3.006  -1.425
  169    HD1  HIS  50           HD1      HIS  50  -3.185   3.303  -4.308
  170    HD2  HIS  50           HD2      HIS  50  -2.224   0.440  -1.438
  171    HE1  HIS  50           HE1      HIS  50  -5.031   1.581  -4.374
  172    H    LEU  51           H        LEU  51  -2.910   4.809  -0.914
  173    HA   LEU  51           HA       LEU  51  -5.433   4.371  -2.236
  174    HB2  LEU  51           HB2      LEU  51  -4.719   5.727   0.380
  175    HB3  LEU  51           HB3      LEU  51  -6.380   5.472  -0.153
  176    HG   LEU  51           HG       LEU  51  -5.815   3.009  -0.385
  177   HD11  LEU  51          HD11      LEU  51  -3.456   2.953  -0.474
  178   HD12  LEU  51          HD12      LEU  51  -3.819   2.386   1.156
  179   HD13  LEU  51          HD13      LEU  51  -3.292   4.049   0.898
  180   HD21  LEU  51          HD21      LEU  51  -7.080   3.395   1.518
  181   HD22  LEU  51          HD22      LEU  51  -5.920   4.549   2.180
  182   HD23  LEU  51          HD23      LEU  51  -5.593   2.817   2.269
  183    H    ARG  52           H        ARG  52  -3.564   7.284  -1.443
  184    HA   ARG  52           HA       ARG  52  -5.591   9.105  -2.463
  185    HB2  ARG  52           HB2      ARG  52  -2.731   9.348  -1.578
  186    HB3  ARG  52           HB3      ARG  52  -3.460  10.666  -2.496
  187    HG2  ARG  52           HG2      ARG  52  -5.004   9.530  -0.199
  188    HG3  ARG  52           HG3      ARG  52  -3.636  10.586   0.158
  189    HD2  ARG  52           HD2      ARG  52  -5.726  11.380  -1.866
  190    HD3  ARG  52           HD3      ARG  52  -5.958  11.693  -0.145
  191    HE   ARG  52           HE       ARG  52  -3.937  12.976  -1.882
  192   HH11  ARG  52          HH11      ARG  52  -5.266  12.364   1.241
  193   HH12  ARG  52          HH12      ARG  52  -4.505  13.734   1.979
  194   HH21  ARG  52          HH21      ARG  52  -2.937  14.766  -0.937
  195   HH22  ARG  52          HH22      ARG  52  -3.187  15.094   0.745
  196    H    THR  53           H        THR  53  -3.122   7.139  -3.837
  197    HA   THR  53           HA       THR  53  -3.108   8.699  -6.363
  198    HB   THR  53           HB       THR  53  -1.082   7.393  -5.083
  199    HG1  THR  53           HG1      THR  53  -1.160   7.425  -7.892
  200   HG21  THR  53          HG21      THR  53  -2.374   5.225  -5.685
  201   HG22  THR  53          HG22      THR  53  -0.647   5.280  -6.031
  202   HG23  THR  53          HG23      THR  53  -1.816   5.521  -7.329
  203    H    HIS  54           H        HIS  54  -4.736   6.112  -4.898
  204    HA   HIS  54           HA       HIS  54  -5.246   4.111  -6.628
  205    HB2  HIS  54           HB2      HIS  54  -6.832   5.529  -4.712
  206    HB3  HIS  54           HB3      HIS  54  -7.841   5.186  -6.116
  207    HD1  HIS  54           HD1      HIS  54  -6.969   2.492  -7.024
  208    HD2  HIS  54           HD2      HIS  54  -7.244   3.426  -2.971
  209    HE1  HIS  54           HE1      HIS  54  -7.223   0.291  -5.799
  210    H    GLY  55           H        GLY  55  -6.351   7.452  -7.154
  211    HA2  GLY  55           HA2      GLY  55  -6.042   7.856  -9.769
  212    HA3  GLY  55           HA3      GLY  55  -7.368   6.694  -9.833
  Start of MODEL   14
    1    H1   GLU  29           H1       GLU  29   5.094  -3.895  11.000
    2    H2   GLU  29           H2       GLU  29   5.558  -5.517  11.196
    3    H3   GLU  29           H3       GLU  29   4.380  -5.100  10.044
    4    HA   GLU  29           HA       GLU  29   6.290  -3.604   9.102
    5    HB2  GLU  29           HB2      GLU  29   7.830  -4.207  10.960
    6    HB3  GLU  29           HB3      GLU  29   7.745  -5.896  10.458
    7    HG2  GLU  29           HG2      GLU  29   8.785  -5.415   8.352
    8    HG3  GLU  29           HG3      GLU  29   8.619  -3.677   8.595
    9    H    LYS  30           H        LYS  30   5.113  -6.861   9.508
   10    HA   LYS  30           HA       LYS  30   6.124  -8.181   7.265
   11    HB2  LYS  30           HB2      LYS  30   3.189  -8.396   7.826
   12    HB3  LYS  30           HB3      LYS  30   4.361  -9.674   7.502
   13    HG2  LYS  30           HG2      LYS  30   5.436  -8.996   9.752
   14    HG3  LYS  30           HG3      LYS  30   3.927  -8.139  10.063
   15    HD2  LYS  30           HD2      LYS  30   3.822 -10.405  11.006
   16    HD3  LYS  30           HD3      LYS  30   2.670 -10.242   9.681
   17    HE2  LYS  30           HE2      LYS  30   3.797 -11.708   8.347
   18    HE3  LYS  30           HE3      LYS  30   5.376 -11.138   8.888
   19    HZ1  LYS  30           HZ1      LYS  30   5.409 -13.076   9.982
   20    HZ2  LYS  30           HZ2      LYS  30   3.725 -13.273   9.929
   21    HZ3  LYS  30           HZ3      LYS  30   4.425 -12.275  11.113
   22    HA   PRO  31           HA       PRO  31   4.655  -5.770   3.854
   23    HB2  PRO  31           HB2      PRO  31   4.880  -7.643   1.876
   24    HB3  PRO  31           HB3      PRO  31   6.275  -6.816   2.593
   25    HG2  PRO  31           HG2      PRO  31   5.225  -9.548   3.106
   26    HG3  PRO  31           HG3      PRO  31   6.899  -8.974   3.032
   27    HD2  PRO  31           HD2      PRO  31   5.557  -9.453   5.391
   28    HD3  PRO  31           HD3      PRO  31   6.907  -8.308   5.237
   29    H    PHE  32           H        PHE  32   2.787  -5.520   2.508
   30    HA   PHE  32           HA       PHE  32   0.777  -7.689   2.493
   31    HB2  PHE  32           HB2      PHE  32   0.610  -5.911   4.525
   32    HB3  PHE  32           HB3      PHE  32  -0.288  -5.032   3.288
   33    HD1  PHE  32           HD1      PHE  32   0.003  -8.483   4.734
   34    HD2  PHE  32           HD2      PHE  32  -2.558  -5.500   3.002
   35    HE1  PHE  32           HE1      PHE  32  -1.962  -9.946   5.120
   36    HE2  PHE  32           HE2      PHE  32  -4.522  -6.964   3.386
   37    HZ   PHE  32           HZ       PHE  32  -4.224  -9.186   4.446
   38    H    SER  33           H        SER  33  -1.106  -7.051   1.055
   39    HA   SER  33           HA       SER  33  -0.155  -5.180  -1.080
   40    HB2  SER  33           HB2      SER  33  -2.163  -7.308  -1.677
   41    HB3  SER  33           HB3      SER  33  -0.906  -6.633  -2.709
   42    HG   SER  33           HG       SER  33  -0.009  -7.943  -0.453
   43    H    CYS  34           H        CYS  34  -1.884  -4.008  -2.219
   44    HA   CYS  34           HA       CYS  34  -3.850  -2.940  -0.391
   45    HB2  CYS  34           HB2      CYS  34  -2.839  -1.633  -2.265
   46    HB3  CYS  34           HB3      CYS  34  -3.718  -2.649  -3.408
   47    H    SER  35           H        SER  35  -6.237  -2.751  -1.526
   48    HA   SER  35           HA       SER  35  -7.203  -5.533  -1.537
   49    HB2  SER  35           HB2      SER  35  -8.820  -4.425  -0.391
   50    HB3  SER  35           HB3      SER  35  -8.344  -2.865  -1.058
   51    HG   SER  35           HG       SER  35 -10.084  -3.094  -2.218
   52    H    LEU  36           H        LEU  36  -7.937  -2.708  -3.624
   53    HA   LEU  36           HA       LEU  36  -8.067  -4.628  -5.916
   54    HB2  LEU  36           HB2      LEU  36 -10.236  -3.584  -5.426
   55    HB3  LEU  36           HB3      LEU  36  -9.504  -1.984  -5.536
   56    HG   LEU  36           HG       LEU  36  -8.912  -2.404  -7.889
   57   HD11  LEU  36          HD11      LEU  36  -9.962  -5.116  -7.182
   58   HD12  LEU  36          HD12      LEU  36  -8.578  -4.677  -8.183
   59   HD13  LEU  36          HD13      LEU  36 -10.213  -4.528  -8.825
   60   HD21  LEU  36          HD21      LEU  36 -11.725  -2.596  -6.908
   61   HD22  LEU  36          HD22      LEU  36 -11.448  -2.883  -8.626
   62   HD23  LEU  36          HD23      LEU  36 -10.965  -1.351  -7.899
   63    H    CYS  37           H        CYS  37  -5.859  -4.410  -6.498
   64    HA   CYS  37           HA       CYS  37  -5.047  -2.684  -8.428
   65    HB2  CYS  37           HB2      CYS  37  -3.686  -0.960  -6.965
   66    HB3  CYS  37           HB3      CYS  37  -5.383  -0.655  -7.331
   67    HA   PRO  38           HA       PRO  38  -1.968  -5.897  -7.422
   68    HB2  PRO  38           HB2      PRO  38  -0.923  -4.765  -9.984
   69    HB3  PRO  38           HB3      PRO  38  -1.145  -6.459  -9.508
   70    HG2  PRO  38           HG2      PRO  38  -2.824  -5.244 -11.186
   71    HG3  PRO  38           HG3      PRO  38  -3.379  -6.452 -10.015
   72    HD2  PRO  38           HD2      PRO  38  -3.760  -3.500  -9.990
   73    HD3  PRO  38           HD3      PRO  38  -4.770  -4.775  -9.275
   74    H    GLN  39           H        GLN  39  -1.389  -4.165  -5.683
   75    HA   GLN  39           HA       GLN  39   1.318  -3.124  -6.346
   76    HB2  GLN  39           HB2      GLN  39   0.885  -0.954  -5.613
   77    HB3  GLN  39           HB3      GLN  39  -0.638  -1.353  -6.408
   78    HG2  GLN  39           HG2      GLN  39  -1.442  -0.583  -4.378
   79    HG3  GLN  39           HG3      GLN  39  -1.251  -2.296  -4.000
   80   HE21  GLN  39          HE21      GLN  39   0.997   0.539  -4.128
   81   HE22  GLN  39          HE22      GLN  39   1.696   0.231  -2.612
   82    H    ARG  40           H        ARG  40   2.733  -3.095  -4.539
   83    HA   ARG  40           HA       ARG  40   1.622  -4.369  -2.069
   84    HB2  ARG  40           HB2      ARG  40   4.498  -4.692  -2.874
   85    HB3  ARG  40           HB3      ARG  40   3.490  -5.755  -1.892
   86    HG2  ARG  40           HG2      ARG  40   2.986  -5.287  -4.840
   87    HG3  ARG  40           HG3      ARG  40   3.999  -6.599  -4.239
   88    HD2  ARG  40           HD2      ARG  40   1.117  -6.145  -3.419
   89    HD3  ARG  40           HD3      ARG  40   1.640  -7.314  -4.631
   90    HE   ARG  40           HE       ARG  40   2.000  -7.563  -1.722
   91   HH11  ARG  40          HH11      ARG  40   2.860  -8.544  -4.914
   92   HH12  ARG  40          HH12      ARG  40   3.476 -10.084  -4.417
   93   HH21  ARG  40          HH21      ARG  40   2.799  -9.570  -1.055
   94   HH22  ARG  40          HH22      ARG  40   3.442 -10.665  -2.232
   95    H    SER  41           H        SER  41   2.375  -3.538  -0.087
   96    HA   SER  41           HA       SER  41   4.276  -1.247  -0.231
   97    HB2  SER  41           HB2      SER  41   2.604  -0.334   1.672
   98    HB3  SER  41           HB3      SER  41   2.399   0.061  -0.032
   99    HG   SER  41           HG       SER  41   1.156  -2.070   0.021
  100    H    ARG  42           H        ARG  42   5.665  -1.140   1.533
  101    HA   ARG  42           HA       ARG  42   5.500  -3.416   3.431
  102    HB2  ARG  42           HB2      ARG  42   7.814  -3.026   3.882
  103    HB3  ARG  42           HB3      ARG  42   7.630  -2.834   2.138
  104    HG2  ARG  42           HG2      ARG  42   7.324  -0.344   2.563
  105    HG3  ARG  42           HG3      ARG  42   7.839  -0.650   4.222
  106    HD2  ARG  42           HD2      ARG  42   9.943  -0.346   3.433
  107    HD3  ARG  42           HD3      ARG  42   9.770  -1.967   2.759
  108    HE   ARG  42           HE       ARG  42   8.645  -0.134   0.903
  109   HH11  ARG  42          HH11      ARG  42  11.651  -0.988   2.360
  110   HH12  ARG  42          HH12      ARG  42  12.602  -0.502   0.997
  111   HH21  ARG  42          HH21      ARG  42   9.869   0.506  -0.886
  112   HH22  ARG  42          HH22      ARG  42  11.593   0.343  -0.843
  113    H    ASP  43           H        ASP  43   5.754   0.136   3.423
  114    HA   ASP  43           HA       ASP  43   4.977   0.083   6.312
  115    HB2  ASP  43           HB2      ASP  43   7.160   1.332   5.115
  116    HB3  ASP  43           HB3      ASP  43   5.991   2.637   5.318
  117    H    PHE  44           H        PHE  44   3.538   1.907   6.971
  118    HA   PHE  44           HA       PHE  44   1.275   2.136   5.221
  119    HB2  PHE  44           HB2      PHE  44   1.260   2.333   7.758
  120    HB3  PHE  44           HB3      PHE  44   1.918   3.957   7.554
  121    HD1  PHE  44           HD1      PHE  44  -0.788   1.866   5.992
  122    HD2  PHE  44           HD2      PHE  44   0.357   5.674   7.614
  123    HE1  PHE  44           HE1      PHE  44  -3.070   2.736   5.559
  124    HE2  PHE  44           HE2      PHE  44  -1.924   6.545   7.182
  125    HZ   PHE  44           HZ       PHE  44  -3.638   5.076   6.154
  126    H    SER  45           H        SER  45   4.068   4.197   5.841
  127    HA   SER  45           HA       SER  45   3.245   6.616   4.700
  128    HB2  SER  45           HB2      SER  45   5.891   5.176   4.697
  129    HB3  SER  45           HB3      SER  45   5.709   6.714   3.859
  130    HG   SER  45           HG       SER  45   4.909   7.565   5.860
  131    H    ALA  46           H        ALA  46   4.666   3.812   2.984
  132    HA   ALA  46           HA       ALA  46   4.178   5.002   0.371
  133    HB1  ALA  46           HB1      ALA  46   4.527   2.056   0.636
  134    HB2  ALA  46           HB2      ALA  46   5.856   3.065   1.206
  135    HB3  ALA  46           HB3      ALA  46   5.312   3.187  -0.467
  136    H    MET  47           H        MET  47   2.418   2.904   2.555
  137    HA   MET  47           HA       MET  47   0.511   1.955   0.590
  138    HB2  MET  47           HB2      MET  47   1.084   1.083   3.030
  139    HB3  MET  47           HB3      MET  47  -0.200   2.201   3.491
  140    HG2  MET  47           HG2      MET  47  -1.788   1.095   2.063
  141    HG3  MET  47           HG3      MET  47  -0.523   0.117   1.320
  142    HE1  MET  47           HE1      MET  47  -3.419  -0.273   3.287
  143    HE2  MET  47           HE2      MET  47  -3.078  -1.953   3.727
  144    HE3  MET  47           HE3      MET  47  -2.829  -1.403   2.071
  145    H    THR  48           H        THR  48   0.877   4.877   2.428
  146    HA   THR  48           HA       THR  48  -1.912   5.698   2.219
  147    HB   THR  48           HB       THR  48  -0.734   8.014   2.706
  148    HG1  THR  48           HG1      THR  48   1.344   7.757   2.692
  149   HG21  THR  48          HG21      THR  48  -0.379   7.013   5.162
  150   HG22  THR  48          HG22      THR  48  -1.242   5.651   4.449
  151   HG23  THR  48          HG23      THR  48  -1.987   7.249   4.477
  152    H    LYS  49           H        LYS  49   1.108   6.774   0.603
  153    HA   LYS  49           HA       LYS  49  -0.051   8.566  -1.228
  154    HB2  LYS  49           HB2      LYS  49   2.295   6.677  -1.575
  155    HB3  LYS  49           HB3      LYS  49   1.872   7.925  -2.748
  156    HG2  LYS  49           HG2      LYS  49   2.588   9.629  -1.397
  157    HG3  LYS  49           HG3      LYS  49   2.073   8.813   0.078
  158    HD2  LYS  49           HD2      LYS  49   4.003   7.377   0.054
  159    HD3  LYS  49           HD3      LYS  49   4.458   7.923  -1.561
  160    HE2  LYS  49           HE2      LYS  49   4.653  10.266  -0.575
  161    HE3  LYS  49           HE3      LYS  49   4.517   9.512   1.012
  162    HZ1  LYS  49           HZ1      LYS  49   6.529   8.495   0.812
  163    HZ2  LYS  49           HZ2      LYS  49   6.836   9.889  -0.106
  164    HZ3  LYS  49           HZ3      LYS  49   6.466   8.424  -0.885
  165    H    HIS  50           H        HIS  50   0.228   5.052  -1.352
  166    HA   HIS  50           HA       HIS  50  -0.686   4.599  -3.982
  167    HB2  HIS  50           HB2      HIS  50   0.007   2.642  -2.951
  168    HB3  HIS  50           HB3      HIS  50  -0.773   3.051  -1.423
  169    HD1  HIS  50           HD1      HIS  50  -2.883   3.468  -4.418
  170    HD2  HIS  50           HD2      HIS  50  -2.121   0.455  -1.641
  171    HE1  HIS  50           HE1      HIS  50  -4.744   1.777  -4.670
  172    H    LEU  51           H        LEU  51  -2.566   5.065  -0.974
  173    HA   LEU  51           HA       LEU  51  -5.113   4.784  -2.349
  174    HB2  LEU  51           HB2      LEU  51  -5.169   6.373   0.114
  175    HB3  LEU  51           HB3      LEU  51  -5.996   4.862  -0.266
  176    HG   LEU  51           HG       LEU  51  -3.068   5.078   0.491
  177   HD11  LEU  51          HD11      LEU  51  -4.405   5.617   2.426
  178   HD12  LEU  51          HD12      LEU  51  -3.872   3.945   2.603
  179   HD13  LEU  51          HD13      LEU  51  -5.522   4.296   2.086
  180   HD21  LEU  51          HD21      LEU  51  -3.254   3.108  -0.755
  181   HD22  LEU  51          HD22      LEU  51  -4.923   2.833  -0.253
  182   HD23  LEU  51          HD23      LEU  51  -3.602   2.528   0.874
  183    H    ARG  52           H        ARG  52  -2.952   7.449  -1.569
  184    HA   ARG  52           HA       ARG  52  -4.870   9.509  -2.349
  185    HB2  ARG  52           HB2      ARG  52  -2.095   9.393  -1.364
  186    HB3  ARG  52           HB3      ARG  52  -2.380  10.677  -2.541
  187    HG2  ARG  52           HG2      ARG  52  -4.159  10.202  -0.138
  188    HG3  ARG  52           HG3      ARG  52  -2.811  11.339  -0.137
  189    HD2  ARG  52           HD2      ARG  52  -4.308  12.850  -0.917
  190    HD3  ARG  52           HD3      ARG  52  -4.151  12.005  -2.458
  191    HE   ARG  52           HE       ARG  52  -6.301  11.077  -2.110
  192   HH11  ARG  52          HH11      ARG  52  -4.981  12.470   0.753
  193   HH12  ARG  52          HH12      ARG  52  -6.446  12.315   1.664
  194   HH21  ARG  52          HH21      ARG  52  -8.222  10.868  -0.939
  195   HH22  ARG  52          HH22      ARG  52  -8.282  11.409   0.706
  196    H    THR  53           H        THR  53  -2.354   7.611  -3.875
  197    HA   THR  53           HA       THR  53  -2.432   9.182  -6.357
  198    HB   THR  53           HB       THR  53  -0.459   7.726  -5.276
  199    HG1  THR  53           HG1      THR  53  -0.656   7.467  -8.035
  200   HG21  THR  53          HG21      THR  53  -0.341   5.514  -5.995
  201   HG22  THR  53          HG22      THR  53  -1.467   5.779  -7.326
  202   HG23  THR  53          HG23      THR  53  -2.066   5.677  -5.671
  203    H    HIS  54           H        HIS  54  -4.196   6.624  -4.941
  204    HA   HIS  54           HA       HIS  54  -4.963   4.851  -6.855
  205    HB2  HIS  54           HB2      HIS  54  -6.239   6.032  -4.588
  206    HB3  HIS  54           HB3      HIS  54  -7.420   5.967  -5.894
  207    HD1  HIS  54           HD1      HIS  54  -6.601   3.377  -7.293
  208    HD2  HIS  54           HD2      HIS  54  -6.843   3.735  -3.148
  209    HE1  HIS  54           HE1      HIS  54  -6.928   1.033  -6.391
  210    H    GLY  55           H        GLY  55  -4.607   5.724  -8.973
  211    HA2  GLY  55           HA2      GLY  55  -6.743   7.624  -9.864
  212    HA3  GLY  55           HA3      GLY  55  -5.111   7.649 -10.536
  Start of MODEL   15
    1    H1   GLU  29           H1       GLU  29   6.022  -8.650  11.211
    2    H2   GLU  29           H2       GLU  29   5.027  -9.653  10.267
    3    H3   GLU  29           H3       GLU  29   4.571  -8.045  10.575
    4    HA   GLU  29           HA       GLU  29   6.008  -7.171   9.066
    5    HB2  GLU  29           HB2      GLU  29   7.707  -9.301  10.115
    6    HB3  GLU  29           HB3      GLU  29   7.887  -9.112   8.370
    7    HG2  GLU  29           HG2      GLU  29   8.348  -6.735   8.627
    8    HG3  GLU  29           HG3      GLU  29   8.037  -6.830  10.360
    9    H    LYS  30           H        LYS  30   4.124  -9.861   9.058
   10    HA   LYS  30           HA       LYS  30   4.443 -11.231   6.675
   11    HB2  LYS  30           HB2      LYS  30   1.954 -11.394   6.580
   12    HB3  LYS  30           HB3      LYS  30   2.587 -11.700   8.197
   13    HG2  LYS  30           HG2      LYS  30   1.971  -9.520   8.957
   14    HG3  LYS  30           HG3      LYS  30   1.659  -8.960   7.313
   15    HD2  LYS  30           HD2      LYS  30  -0.051 -11.037   7.376
   16    HD3  LYS  30           HD3      LYS  30  -0.032 -10.644   9.095
   17    HE2  LYS  30           HE2      LYS  30  -1.805  -9.366   8.043
   18    HE3  LYS  30           HE3      LYS  30  -0.511  -8.254   8.493
   19    HZ1  LYS  30           HZ1      LYS  30  -1.155  -9.323   5.810
   20    HZ2  LYS  30           HZ2      LYS  30   0.344  -8.611   6.156
   21    HZ3  LYS  30           HZ3      LYS  30  -1.083  -7.700   6.307
   22    HA   PRO  31           HA       PRO  31   4.372  -8.598   3.156
   23    HB2  PRO  31           HB2      PRO  31   1.952 -10.129   2.286
   24    HB3  PRO  31           HB3      PRO  31   3.436  -9.760   1.387
   25    HG2  PRO  31           HG2      PRO  31   2.969 -12.175   2.455
   26    HG3  PRO  31           HG3      PRO  31   4.595 -11.490   2.317
   27    HD2  PRO  31           HD2      PRO  31   2.957 -11.917   4.741
   28    HD3  PRO  31           HD3      PRO  31   4.713 -11.704   4.591
   29    H    PHE  32           H        PHE  32   3.160  -6.812   2.249
   30    HA   PHE  32           HA       PHE  32   0.576  -6.222   3.628
   31    HB2  PHE  32           HB2      PHE  32   3.040  -4.517   3.393
   32    HB3  PHE  32           HB3      PHE  32   1.453  -3.751   3.467
   33    HD1  PHE  32           HD1      PHE  32   3.715  -6.124   5.239
   34    HD2  PHE  32           HD2      PHE  32   0.257  -3.590   5.512
   35    HE1  PHE  32           HE1      PHE  32   3.665  -6.457   7.697
   36    HE2  PHE  32           HE2      PHE  32   0.207  -3.923   7.969
   37    HZ   PHE  32           HZ       PHE  32   1.910  -5.357   9.062
   38    H    SER  33           H        SER  33  -0.397  -6.965   1.601
   39    HA   SER  33           HA       SER  33   0.197  -5.419  -0.833
   40    HB2  SER  33           HB2      SER  33  -1.984  -6.876  -1.493
   41    HB3  SER  33           HB3      SER  33  -0.347  -7.525  -1.547
   42    HG   SER  33           HG       SER  33  -0.749  -8.689   0.180
   43    H    CYS  34           H        CYS  34  -1.594  -4.294  -1.989
   44    HA   CYS  34           HA       CYS  34  -3.028  -2.535  -0.187
   45    HB2  CYS  34           HB2      CYS  34  -2.259  -1.684  -2.331
   46    HB3  CYS  34           HB3      CYS  34  -3.192  -2.909  -3.191
   47    H    SER  35           H        SER  35  -5.519  -2.181  -0.871
   48    HA   SER  35           HA       SER  35  -6.836  -4.698  -0.152
   49    HB2  SER  35           HB2      SER  35  -7.380  -2.009   0.304
   50    HB3  SER  35           HB3      SER  35  -8.600  -2.483  -0.874
   51    HG   SER  35           HG       SER  35  -8.073  -4.234   1.231
   52    H    LEU  36           H        LEU  36  -6.842  -2.470  -2.945
   53    HA   LEU  36           HA       LEU  36  -7.902  -4.732  -4.573
   54    HB2  LEU  36           HB2      LEU  36  -9.516  -2.660  -3.831
   55    HB3  LEU  36           HB3      LEU  36  -8.858  -2.045  -5.347
   56    HG   LEU  36           HG       LEU  36 -10.056  -4.809  -5.059
   57   HD11  LEU  36          HD11      LEU  36 -11.581  -2.871  -6.617
   58   HD12  LEU  36          HD12      LEU  36 -11.439  -2.390  -4.926
   59   HD13  LEU  36          HD13      LEU  36 -12.129  -3.958  -5.342
   60   HD21  LEU  36          HD21      LEU  36  -8.861  -3.181  -7.247
   61   HD22  LEU  36          HD22      LEU  36 -10.284  -4.136  -7.661
   62   HD23  LEU  36          HD23      LEU  36  -8.848  -4.928  -7.012
   63    H    CYS  37           H        CYS  37  -5.820  -5.014  -5.498
   64    HA   CYS  37           HA       CYS  37  -5.155  -3.960  -7.892
   65    HB2  CYS  37           HB2      CYS  37  -3.399  -2.135  -7.183
   66    HB3  CYS  37           HB3      CYS  37  -5.096  -1.692  -7.345
   67    HA   PRO  38           HA       PRO  38  -1.862  -6.783  -6.950
   68    HB2  PRO  38           HB2      PRO  38  -0.523  -6.617  -9.332
   69    HB3  PRO  38           HB3      PRO  38  -2.038  -7.516  -9.126
   70    HG2  PRO  38           HG2      PRO  38  -1.577  -4.825 -10.303
   71    HG3  PRO  38           HG3      PRO  38  -2.709  -6.097 -10.794
   72    HD2  PRO  38           HD2      PRO  38  -3.460  -3.879  -9.352
   73    HD3  PRO  38           HD3      PRO  38  -4.319  -5.433  -9.283
   74    H    GLN  39           H        GLN  39  -1.090  -4.938  -5.402
   75    HA   GLN  39           HA       GLN  39   1.684  -4.290  -6.149
   76    HB2  GLN  39           HB2      GLN  39   1.474  -1.909  -5.714
   77    HB3  GLN  39           HB3      GLN  39   0.305  -2.351  -6.959
   78    HG2  GLN  39           HG2      GLN  39  -1.326  -2.706  -4.945
   79    HG3  GLN  39           HG3      GLN  39  -0.181  -1.692  -4.066
   80   HE21  GLN  39          HE21      GLN  39  -1.974  -0.045  -3.989
   81   HE22  GLN  39          HE22      GLN  39  -2.250   0.937  -5.346
   82    H    ARG  40           H        ARG  40   2.886  -3.440  -4.214
   83    HA   ARG  40           HA       ARG  40   1.514  -3.987  -1.636
   84    HB2  ARG  40           HB2      ARG  40   3.589  -5.260  -0.901
   85    HB3  ARG  40           HB3      ARG  40   2.578  -6.091  -2.084
   86    HG2  ARG  40           HG2      ARG  40   4.081  -5.091  -3.883
   87    HG3  ARG  40           HG3      ARG  40   5.171  -4.614  -2.581
   88    HD2  ARG  40           HD2      ARG  40   5.013  -7.099  -1.837
   89    HD3  ARG  40           HD3      ARG  40   4.399  -7.389  -3.465
   90    HE   ARG  40           HE       ARG  40   6.673  -5.983  -3.987
   91   HH11  ARG  40          HH11      ARG  40   5.935  -8.618  -1.891
   92   HH12  ARG  40          HH12      ARG  40   7.518  -9.314  -1.989
   93   HH21  ARG  40          HH21      ARG  40   8.745  -6.877  -4.129
   94   HH22  ARG  40          HH22      ARG  40   9.109  -8.328  -3.256
   95    H    SER  41           H        SER  41   2.383  -2.818   0.115
   96    HA   SER  41           HA       SER  41   4.567  -0.899  -0.596
   97    HB2  SER  41           HB2      SER  41   2.581  -0.037   1.425
   98    HB3  SER  41           HB3      SER  41   3.352   0.888   0.140
   99    HG   SER  41           HG       SER  41   1.934  -0.047  -1.328
  100    H    ARG  42           H        ARG  42   5.815  -0.150   1.298
  101    HA   ARG  42           HA       ARG  42   6.138  -2.337   3.257
  102    HB2  ARG  42           HB2      ARG  42   7.780  -0.014   2.341
  103    HB3  ARG  42           HB3      ARG  42   8.061  -0.625   3.972
  104    HG2  ARG  42           HG2      ARG  42   8.515  -2.847   3.134
  105    HG3  ARG  42           HG3      ARG  42   8.031  -2.382   1.503
  106    HD2  ARG  42           HD2      ARG  42  10.399  -1.278   3.043
  107    HD3  ARG  42           HD3      ARG  42  10.477  -2.389   1.678
  108    HE   ARG  42           HE       ARG  42   9.577  -0.555   0.258
  109   HH11  ARG  42          HH11      ARG  42  10.706   0.180   3.439
  110   HH12  ARG  42          HH12      ARG  42  10.970   1.856   3.096
  111   HH21  ARG  42          HH21      ARG  42   9.918   1.627  -0.197
  112   HH22  ARG  42          HH22      ARG  42  10.525   2.675   1.041
  113    H    ASP  43           H        ASP  43   6.346   1.203   3.694
  114    HA   ASP  43           HA       ASP  43   5.033   0.887   6.328
  115    HB2  ASP  43           HB2      ASP  43   7.118   2.292   6.003
  116    HB3  ASP  43           HB3      ASP  43   6.127   3.417   5.073
  117    H    PHE  44           H        PHE  44   3.152   2.161   6.896
  118    HA   PHE  44           HA       PHE  44   1.108   2.220   4.925
  119    HB2  PHE  44           HB2      PHE  44   0.992   2.342   7.557
  120    HB3  PHE  44           HB3      PHE  44   1.016   4.083   7.278
  121    HD1  PHE  44           HD1      PHE  44  -0.622   1.066   5.743
  122    HD2  PHE  44           HD2      PHE  44  -1.067   5.102   7.144
  123    HE1  PHE  44           HE1      PHE  44  -3.029   1.007   5.148
  124    HE2  PHE  44           HE2      PHE  44  -3.474   5.043   6.549
  125    HZ   PHE  44           HZ       PHE  44  -4.454   2.996   5.551
  126    H    SER  45           H        SER  45   3.372   4.718   6.006
  127    HA   SER  45           HA       SER  45   2.243   7.007   4.862
  128    HB2  SER  45           HB2      SER  45   4.270   7.940   5.280
  129    HB3  SER  45           HB3      SER  45   4.694   6.376   5.966
  130    HG   SER  45           HG       SER  45   6.120   7.226   4.273
  131    H    ALA  46           H        ALA  46   4.212   4.504   3.257
  132    HA   ALA  46           HA       ALA  46   3.927   5.774   0.641
  133    HB1  ALA  46           HB1      ALA  46   5.892   4.505   0.787
  134    HB2  ALA  46           HB2      ALA  46   4.812   3.405  -0.070
  135    HB3  ALA  46           HB3      ALA  46   5.095   3.194   1.658
  136    H    MET  47           H        MET  47   2.326   3.217   2.462
  137    HA   MET  47           HA       MET  47   0.754   2.231   0.239
  138    HB2  MET  47           HB2      MET  47   1.266   1.228   2.671
  139    HB3  MET  47           HB3      MET  47  -0.270   2.016   3.035
  140    HG2  MET  47           HG2      MET  47  -0.887   0.810   0.678
  141    HG3  MET  47           HG3      MET  47   0.285  -0.338   1.326
  142    HE1  MET  47           HE1      MET  47  -1.278  -2.130   1.351
  143    HE2  MET  47           HE2      MET  47  -2.179  -2.533   2.819
  144    HE3  MET  47           HE3      MET  47  -0.442  -2.245   2.898
  145    H    THR  48           H        THR  48   0.425   4.850   2.541
  146    HA   THR  48           HA       THR  48  -2.396   5.307   2.110
  147    HB   THR  48           HB       THR  48  -1.740   7.663   2.972
  148    HG1  THR  48           HG1      THR  48   0.298   7.794   3.827
  149   HG21  THR  48          HG21      THR  48  -1.930   5.078   4.281
  150   HG22  THR  48          HG22      THR  48  -2.570   6.638   4.798
  151   HG23  THR  48          HG23      THR  48  -0.914   6.186   5.204
  152    H    LYS  49           H        LYS  49   0.530   6.949   0.844
  153    HA   LYS  49           HA       LYS  49  -0.745   8.749  -0.903
  154    HB2  LYS  49           HB2      LYS  49   1.828   7.201  -1.355
  155    HB3  LYS  49           HB3      LYS  49   1.328   8.619  -2.276
  156    HG2  LYS  49           HG2      LYS  49   1.470   8.760   0.724
  157    HG3  LYS  49           HG3      LYS  49   2.941   8.934  -0.234
  158    HD2  LYS  49           HD2      LYS  49   0.504  10.537  -0.954
  159    HD3  LYS  49           HD3      LYS  49   1.540  11.071   0.369
  160    HE2  LYS  49           HE2      LYS  49   3.503  10.932  -1.185
  161    HE3  LYS  49           HE3      LYS  49   2.383  10.569  -2.498
  162    HZ1  LYS  49           HZ1      LYS  49   2.974  13.078  -1.248
  163    HZ2  LYS  49           HZ2      LYS  49   1.307  12.767  -1.316
  164    HZ3  LYS  49           HZ3      LYS  49   2.231  12.760  -2.743
  165    H    HIS  50           H        HIS  50   0.040   5.336  -1.314
  166    HA   HIS  50           HA       HIS  50  -0.602   4.979  -4.019
  167    HB2  HIS  50           HB2      HIS  50   0.140   2.996  -3.128
  168    HB3  HIS  50           HB3      HIS  50  -0.664   3.272  -1.584
  169    HD1  HIS  50           HD1      HIS  50  -2.720   3.603  -4.661
  170    HD2  HIS  50           HD2      HIS  50  -1.902   0.662  -1.824
  171    HE1  HIS  50           HE1      HIS  50  -4.477   1.810  -4.964
  172    H    LEU  51           H        LEU  51  -2.797   5.018  -1.195
  173    HA   LEU  51           HA       LEU  51  -5.188   4.475  -2.662
  174    HB2  LEU  51           HB2      LEU  51  -5.250   6.343  -0.320
  175    HB3  LEU  51           HB3      LEU  51  -6.325   5.001  -0.709
  176    HG   LEU  51           HG       LEU  51  -3.468   4.778   0.283
  177   HD11  LEU  51          HD11      LEU  51  -4.612   5.105   2.242
  178   HD12  LEU  51          HD12      LEU  51  -4.995   3.397   2.036
  179   HD13  LEU  51          HD13      LEU  51  -6.157   4.627   1.540
  180   HD21  LEU  51          HD21      LEU  51  -4.079   3.022  -1.373
  181   HD22  LEU  51          HD22      LEU  51  -5.485   2.612  -0.391
  182   HD23  LEU  51          HD23      LEU  51  -3.860   2.356   0.246
  183    H    ARG  52           H        ARG  52  -3.616   7.562  -1.793
  184    HA   ARG  52           HA       ARG  52  -5.590   9.176  -3.174
  185    HB2  ARG  52           HB2      ARG  52  -2.739   9.783  -2.320
  186    HB3  ARG  52           HB3      ARG  52  -3.863  10.983  -2.960
  187    HG2  ARG  52           HG2      ARG  52  -5.437  10.474  -1.111
  188    HG3  ARG  52           HG3      ARG  52  -4.273   9.322  -0.455
  189    HD2  ARG  52           HD2      ARG  52  -4.137  11.544   0.666
  190    HD3  ARG  52           HD3      ARG  52  -2.630  11.105  -0.140
  191    HE   ARG  52           HE       ARG  52  -4.491  12.747  -1.731
  192   HH11  ARG  52          HH11      ARG  52  -1.765  12.515   0.367
  193   HH12  ARG  52          HH12      ARG  52  -1.106  14.046  -0.101
  194   HH21  ARG  52          HH21      ARG  52  -3.645  14.749  -2.355
  195   HH22  ARG  52          HH22      ARG  52  -2.169  15.311  -1.643
  196    H    THR  53           H        THR  53  -2.880   7.288  -4.124
  197    HA   THR  53           HA       THR  53  -2.718   8.644  -6.766
  198    HB   THR  53           HB       THR  53  -0.755   7.570  -5.105
  199    HG1  THR  53           HG1      THR  53  -0.452   7.786  -7.896
  200   HG21  THR  53          HG21      THR  53  -1.598   5.300  -5.895
  201   HG22  THR  53          HG22      THR  53   0.115   5.613  -6.175
  202   HG23  THR  53          HG23      THR  53  -1.035   5.748  -7.505
  203    H    HIS  54           H        HIS  54  -4.390   6.169  -5.280
  204    HA   HIS  54           HA       HIS  54  -4.459   3.891  -6.718
  205    HB2  HIS  54           HB2      HIS  54  -6.429   5.410  -5.348
  206    HB3  HIS  54           HB3      HIS  54  -7.149   4.904  -6.875
  207    HD1  HIS  54           HD1      HIS  54  -6.304   2.173  -7.383
  208    HD2  HIS  54           HD2      HIS  54  -6.913   3.459  -3.465
  209    HE1  HIS  54           HE1      HIS  54  -6.690   0.087  -5.997
  210    H    GLY  55           H        GLY  55  -5.929   6.909  -7.970
  211    HA2  GLY  55           HA2      GLY  55  -5.378   5.884 -10.718
  212    HA3  GLY  55           HA3      GLY  55  -6.970   6.534 -10.327