*HEADER    TRANSCRIPTION                           15-MAR-10   2KVF              
*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_FINGER1, C2H2-TYPE 1 DOMAIN, UNP RESIDUES             
*COMPND   5 348-374;                                                             
*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, ZINC-FINGER, TRANSCRIPTION                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    15                                                                    
*AUTHOR    C.-C.CHOU, Y.-C.LOU, C.CHEN                                           
*REVDAT   1   14-APR-10 2KVF    0                                                


remarks Met 1
remarks Arg 2
remarks Pro 3

remarks Tyr 4
assign (resid     4 and name HN  )  (resid     13 and name   HN   ) 2.00 0.20 2.00
assign (resid     4 and name HN  )  (resid      3 and name   HA   ) 2.00 0.20 1.00
assign (resid     4 and name HN  )  (resid     14 and name   HB*  ) 2.00 0.20 3.00
assign (resid     4 and name HN  )  (resid     13 and name   HB*  ) 2.00 0.20 3.00
assign (resid     4 and name HN  )  (resid      3 and name   HB*  ) 2.00 0.20 3.00
assign (resid     4 and name HN  )  (resid      3 and name   HG*  ) 2.00 0.20 3.00

remarks Ser 5
assign (resid     5 and name HN  )   (resid      4 and name   HD*  ) 2.00 0.20 1.00
assign (resid     5 and name HN  )   (resid      4 and name   HA   ) 2.00 0.20 1.00
assign (resid     5 and name HN  )   (resid      4 and name   HB*  ) 2.00 0.20 2.00
assign (resid     5 and name HA  )   (resid     12 and name   HA   ) 2.00 0.20 1.00
assign (resid     5 and name HA  )   (resid      6 and name   HA   ) 2.00 0.20 3.00
assign (resid     5 and name HA  )   (resid      6 and name   HB*  ) 2.00 0.20 3.00
assign (resid     5 and name HA  )   (resid     12 and name   HB*  ) 2.00 0.20 3.00
assign (resid     5 and name HB* )   (resid     12 and name   HA   ) 2.00 0.20 3.00

remarks Cys 6
assign (resid     6 and name HN  )   (resid    13 and name   HN    ) 2.00 0.20 3.00
assign (resid     6 and name HN  )   (resid    10 and name   HN    ) 2.00 0.20 3.00
assign (resid     6 and name HN  )   (resid    11 and name   HN    ) 2.00 0.20 3.00
assign (resid     6 and name HN  )   (resid     5 and name   HA    ) 2.00 0.20 1.00
assign (resid     6 and name HN  )   (resid    12 and name   HA    ) 2.00 0.20 2.00
assign (resid     6 and name HN  )   (resid    10 and name   HA*   ) 2.00 0.20 3.00  
assign (resid     6 and name HN  )   (resid     5 and name   HB*   ) 2.00 0.20 2.00
assign (resid     6 and name HN  )   (resid    11 and name   HB*   ) 2.00 0.20 3.00
assign (resid     6 and name HN  )   (resid    11 and name   HD*   ) 2.00 0.20 3.00
assign (resid     6 and name HB* )   (resid    11 and name   HB*   ) 2.00 0.20 3.00

remarks Ser 7
assign (resid     7 and name HN  )   (resid      8 and name  HN  ) 2.00 0.20 3.00
assign (resid     7 and name HN  )   (resid      6 and name  HA  ) 2.00 0.20 2.00

remarks Val 8
assign (resid     8 and name HN  )   (resid      9 and name  HN    ) 2.00 0.20 1.00
assign (resid     8 and name HN  )   (resid      9 and name  HA    ) 2.00 0.20 3.00
assign (resid     8 and name HN  )   (resid      7 and name  HA    ) 2.00 0.20 2.00
assign (resid     8 and name HN  )   (resid      7 and name  HB*   ) 2.00 0.20 3.00
assign (resid     8 and name HN  )   (resid      6 and name  HB*  ) 2.00 0.20 3.00
assign (resid     8 and name HN  )   (resid      9 and name  HB*  ) 2.00 0.20 3.00

remarks Cys 9
assign (resid     9 and name HN  )   (resid    10 and name   HA*   ) 2.00 0.20 3.00
assign (resid     9 and name HN  )   (resid     8 and name   HA    ) 2.00 0.20 2.00
assign (resid     9 and name HN  )   (resid     6 and name   HB*   ) 2.00 0.20 3.00
assign (resid     9 and name HN  )   (resid     8 and name   HG*   ) 2.00 0.20 3.00
assign (resid     9 and name HA  )   (resid     8 and name   HA    ) 2.00 0.20 3.00
assign (resid     9 and name HB* )   (resid     8 and name   HG*   ) 2.00 0.20 4.00

remarks Gly 10
assign (resid   10 and name HN  )   (resid     8 and name   HN    ) 2.00 0.20 2.00
assign (resid   10 and name HN  )   (resid     9 and name   HA    ) 2.00 0.20 2.00
assign (resid   10 and name HN  )   (resid     9 and name   HB*   ) 2.00 0.20 3.00
assign (resid   10 and name HN  )   (resid     6 and name   HB*   ) 2.00 0.20 2.00
assign (resid   10 and name HN  )   (resid    11 and name   HB*   ) 2.00 0.20 3.00 
assign (resid   10 and name HN  )   (resid     8 and name   HB    ) 2.00 0.20 3.00
assign (resid   10 and name HN  )   (resid     8 and name   HG*   ) 2.00 0.20 4.00

remarks Lys 11
assign  (resid    11 and name  HN  )   (resid     6 and name  HB*  ) 2.00 0.20 3.00


remarks Arg 12
assign (resid     12 and name  HN   ) (resid     13 and name   HN   ) 2.00 0.20 3.00
assign (resid     12 and name  HN   ) (resid      5 and name   HA   ) 2.00 0.20 3.00
assign (resid     12 and name  HN   ) (resid     11 and name   HA   ) 2.00 0.20 1.00
assign (resid     12 and name  HN   ) (resid     11 and name   HG*  ) 2.00 0.20 2.00
assign (resid     12 and name  HA   ) (resid     12 and name   HD*  ) 2.00 0.20 3.00


remarks Phe 13
assign (resid     13 and name HN  )  (resid     15 and name   HN   ) 2.00 0.20 3.00
assign (resid     13 and name HN  )  (resid      5 and name   HA   ) 2.00 0.20 2.00
assign (resid     13 and name HN  )  (resid     12 and name   HA   ) 2.00 0.20 1.00
assign (resid     13 and name HN  )  (resid      4 and name   HB*  ) 2.00 0.20 3.00
assign (resid     13 and name HD* )  (resid      5 and name   HA   ) 2.00 0.20 3.00
assign (resid     13 and name HD* )  (resid     12 and name   HA   ) 2.00 0.20 3.00
assign (resid     13 and name HD* )  (resid     13 and name   HB*  ) 2.00 0.20 1.50
assign (resid     13 and name HD* )  (resid     12 and name   HD*  ) 2.00 0.20 2.50
assign (resid     13 and name HE* )  (resid     13 and name   HD*  ) 2.00 0.20 2.50
assign (resid     13 and name HE* )  (resid      5 and name   HA   ) 2.00 0.20 3.00
assign (resid     13 and name HE* )  (resid     13 and name   HB*  ) 2.00 0.20 4.00
assign (resid     13 and name HE* )  (resid     11 and name   HB*  ) 2.00 0.20 2.50
assign (resid     13 and name HE* )  (resid     11 and name   HG*  ) 2.00 0.20 4.00
assign (resid     13 and name HZ  )  (resid     22 and name   HE*  ) 2.00 0.20 4.00
assign (resid     13 and name HZ  )  (resid     13 and name   HD*  ) 2.00 0.20 4.00
assign (resid     13 and name HZ  )  (resid     13 and name   HB*  ) 2.00 0.20 4.00
assign (resid     13 and name HZ  )  (resid     22 and name   HB*  ) 2.00 0.20 3.00
assign (resid     13 and name HZ  )  (resid     11 and name   HB*  ) 2.00 0.20 2.50
assign (resid     13 and name HZ  )  (resid     11 and name   HG*  ) 2.00 0.20 4.00

remarks Ser 14
assign (resid     14 and name HN  )  (resid     13 and name   HN   ) 2.00 0.20 3.00
assign (resid     14 and name HN  )  (resid     15 and name   HN   ) 2.00 0.20 3.00
assign (resid     14 and name HN  )  (resid     13 and name   HB*  ) 2.00 0.20 3.00

remarks Leu 15
assign (resid     15 and name HN  )  (resid     16 and name   HN   ) 2.00 0.20 3.00
assign (resid     15 and name HN  )  (resid     13 and name   HD*  ) 2.00 0.20 3.00
assign (resid     15 and name HN  )  (resid     18 and name   HN   ) 2.00 0.20 3.00
assign (resid     15 and name HN  )  (resid     14 and name   HA   ) 2.00 0.20 2.00
assign (resid     15 and name HN  )  (resid     14 and name   HB*  ) 2.00 0.20 2.00
assign (resid     15 and name HN  )  (resid     16 and name   HA   ) 2.00 0.20 3.00

remarks Lys 16
assign (resid    16 and name HN  )  (resid     15 and name   HA   ) 2.00 0.20 1.00
assign (resid    16 and name HN  )  (resid     14 and name   HA   ) 2.00 0.20 3.00
assign (resid    16 and name HA  )  (resid     20 and name   HN   ) 2.00 0.20 3.00

remarks His 17
assign (resid    17 and name HN  )  (resid     18 and name   HN   ) 2.00 0.20 3.00
assign (resid    17 and name HN  )  (resid     16 and name   HB*  ) 2.00 0.20 3.00
assign (resid    17 and name HA  )  (resid     20 and name   HG*  ) 2.00 0.20 2.00
assign (resid    17 and name HA  )  (resid     20 and name   HB*  ) 2.00 0.20 1.00
assign (resid    17 and name HA  )  (resid     20 and name   HN   ) 2.00 0.20 3.00

remarks Gln 18
assign (resid    18 and name HN  )  (resid     20 and name   HN   ) 2.00 0.20 3.00
assign (resid    18 and name HN  )  (resid     19 and name   HN   ) 2.00 0.20 1.00
assign (resid    18 and name HN  )  (resid     17 and name   HA   ) 2.00 0.20 3.00
assign (resid    18 and name HN  )  (resid     17 and name   HB*  ) 2.00 0.20 1.50
assign (resid    18 and name HN  )  (resid     15 and name   HB*  ) 2.00 0.20 2.00
assign (resid    18 and name HN  )  (resid     15 and name   HD*  ) 2.00 0.20 3.00
assign (resid    18 and name HA  )  (resid     21 and name   HB*  ) 2.00 0.20 2.00
assign (resid    18 and name HA  )  (resid     21 and name   HN   ) 2.00 0.20 3.00

remarks Met 19
assign (resid  19  and name HN  )   (resid     20 and name   HN    ) 2.00 0.20 1.00
assign (resid  19  and name HN  )   (resid     21 and name   HN    ) 2.00 0.20 3.00
assign (resid  19  and name HN  )   (resid     18 and name   HE*   ) 2.00 0.20 3.00
assign (resid  19  and name HN  )   (resid     17 and name   HA    ) 2.00 0.20 3.00
assign (resid  19  and name HN  )   (resid     18 and name   HA    ) 2.00 0.20 2.00
  
remarks Glu 20
assign (resid  20  and name HN  )   (resid     21 and name   HN  ) 2.00 0.20 3.00
assign (resid  20  and name HN  )   (resid     18 and name   HE* ) 2.00 0.20 3.00
assign (resid  20  and name HN  )   (resid     19 and name   HB* ) 2.00 0.20 3.00
assign (resid  20  and name HN  )   (resid     16 and name   HB* ) 2.00 0.20 3.00
assign (resid  20  and name HA  )   (resid     23 and name   HB* ) 2.00 0.20 2.00
assign (resid  20  and name HA  )   (resid     22 and name   HN  ) 2.00 0.20 3.00


remarks Thr 21
assign (resid  21  and name HN  )   (resid     22 and name   HN   ) 2.00 0.20 2.00
assign (resid  21  and name HN  )   (resid     18 and name   HN   ) 2.00 0.20 3.00
assign (resid  21  and name HN  )   (resid     17 and name   HA   ) 2.00 0.20 3.00
assign (resid  21  and name HN  )   (resid     19 and name   HB*  ) 2.00 0.20 3.00
assign (resid  21  and name HN  )   (resid     20 and name   HG*  ) 2.00 0.20 3.00
assign (resid  21  and name HN  )   (resid     20 and name   HB*  ) 2.00 0.20 2.00
assign (resid  21  and name HA  )   (resid     24 and name   HB*  ) 2.00 0.20 3.00


remarks His 22
assign (resid  22  and name HN    )   (resid     23 and name   HN   ) 2.00 0.20 2.00
assign (resid  22  and name HN    )   (resid     20 and name   HN   ) 2.00 0.20 3.00
assign (resid  22  and name HN    )   (resid     21 and name   HA   ) 2.00 0.20 2.00
assign (resid  22  and name HN    )   (resid     21 and name   HB*  ) 2.00 0.20 3.00
assign (resid  22  and name HN    )   (resid     20 and name   HG*  ) 2.00 0.20 3.00
assign (resid  22  and name HN    )   (resid     20 and name   HB*  ) 2.00 0.20 3.00
assign (resid  22  and name HN    )   (resid     21 and name   HG*  ) 2.00 0.20 2.00
assign (resid  22  and name HA    )   (resid     25 and name   HB*  ) 2.00 0.20 3.00
assign (resid  22  and name HA    )   (resid     24 and name   HN   ) 2.00 0.20 3.00
assign (resid  22  and name HA    )   (resid     25 and name   HN   ) 2.00 0.20 3.00
assign (resid  22  and name HD*   )   (resid     23 and name   HD*  ) 2.00 0.20 4.00
assign (resid  22  and name HD*   )   (resid     26 and name   HD*  ) 2.00 0.20 4.00
assign (resid  22  and name HD*   )   (resid     22 and name   HB*  ) 2.00 0.20 3.00
assign (resid  22  and name HE*   )   (resid     13 and name   HE*  ) 2.00 0.20 4.00
assign (resid  22  and name HE*   )   (resid     25 and name   HB   ) 2.00 0.20 3.00
assign (resid  22  and name HE*   )   (resid     11 and name   HB*  ) 2.00 0.20 4.00
assign (resid  22  and name HE*   )   (resid     25 and name   HG*  ) 2.00 0.20 2.50


remarks Tyr 23
assign (resid  23  and name  HN  )   (resid     25 and name   HN   ) 2.00 0.20 3.00
assign (resid  23  and name  HN  )   (resid     24 and name   HN   ) 2.00 0.20 2.00
assign (resid  23  and name  HN  )   (resid     22 and name   HA   ) 2.00 0.20 3.00
assign (resid  23  and name  HN  )   (resid     22 and name   HB*  ) 2.00 0.20 3.00
assign (resid  23  and name  HN  )   (resid     20 and name   HG*  ) 2.00 0.20 3.00
assign (resid  23  and name  HN  )   (resid     25 and name   HB   ) 2.00 0.20 3.00
assign (resid  23  and name  HA  )   (resid     25 and name   HN   ) 2.00 0.20 3.00
assign (resid  23  and name  HD* )   (resid     26 and name   HD*  ) 2.00 0.20 2.50
assign (resid  23  and name  HD* )   (resid      8 and name   HG*  ) 2.00 0.20 4.00
assign (resid  23  and name  HE* )   (resid      8 and name   HG*  ) 2.00 0.20 4.00

remarks Arg 24
assign (resid  24  and name  HN  )   (resid     25 and name   HN   ) 2.00 0.20 2.00
assign (resid  24  and name  HN  )   (resid     23 and name   HB*  ) 2.00 0.20 2.00 
assign (resid  24  and name  HN  )   (resid     21 and name   HG*  ) 2.00 0.20 4.00


remarks Val 25
assign  (resid  25 and name  HN  )   (resid     26 and name   HN   ) 2.00 0.20 1.00
assign  (resid  25 and name  HN  )   (resid     26 and name   HB* ) 2.00 0.20 3.00


remarks His 26
assign  (resid  26 and name  HN   )   (resid     27 and name   HN    ) 2.00 0.20 2.00
assign  (resid  26 and name  HN   )   (resid     27 and name   HA    ) 2.00 0.20 3.00
assign  (resid  26 and name  HN   )   (resid     27 and name   HG*   ) 2.00 0.20 4.00
assign  (resid  26 and name  HN   )   (resid     25 and name   HG*   ) 2.00 0.20 4.00
assign  (resid  26 and name  HD*  )   (resid     26 and name   HE*   ) 2.00 0.20 3.00
assign  (resid  26 and name  HD*  )   (resid     23 and name   HB*   ) 2.00 0.20 3.00
assign  (resid  26 and name  HD*  )   (resid      8 and name   HG*   ) 2.00 0.20 2.00
assign  (resid  26 and name  HD*  )   (resid     25 and name   HG*   ) 2.00 0.20 4.00
assign  (resid  26 and name  HE*  )   (resid      9 and name   HA    ) 2.00 0.20 3.00 
assign  (resid  26 and name  HE*  )   (resid      9 and name   HB*   ) 2.00 0.20 2.50
assign  (resid  26 and name  HE*  )   (resid      8 and name   HB*   ) 2.00 0.20 3.00
assign  (resid  26 and name  HE*  )   (resid      8 and name   HG*   ) 2.00 0.20 3.00
assign  (resid  26 and name  HE*  )   (resid     25 and name   HG*   ) 2.00 0.20 3.00

remarks Thr 27
assign  (resid  27 and name  HN  )   (resid     28 and name   HN    ) 2.00 0.20 3.00
assign  (resid  27 and name  HN  )   (resid     24 and name   HA    ) 2.00 0.20 3.00
assign  (resid  27 and name  HN  )   (resid     26 and name   HB*   ) 2.00 0.20 3.00

remarks Gly 28
assign  (resid  28 and name  HN  )   (resid     27 and name   HA    ) 2.00 0.20 2.00
assign  (resid  28 and name  HN  )   (resid     27 and name   HG*   ) 2.00 0.20 4.00

remarks hydrogen bond 
assign (resid    6 and name  HN  )   (resid   11 and  name  O    ) 1.80 0.00 0.50
assign (resid    6 and name   N  )   (resid   11 and  name  O    ) 2.80 0.00 0.50
assign (resid   13 and name  HN  )   (resid    4 and  name  O    ) 1.80 0.00 0.50
assign (resid   13 and name   N  )   (resid    4 and  name  O    ) 2.80 0.00 0.50

remarks Zn restraints
assign  (resid   6  and  name   SG    ) (resid  83 and  name  ZN  )  2.30  0.05 0.05
assign  (resid   9  and  name   SG    ) (resid  83 and  name  ZN  )  2.30  0.05 0.05
assign  (resid  22  and  name  NE2  ) (resid  83 and  name  ZN  )  2.00  0.05 0.05
assign  (resid  26  and  name  NE2  ) (resid  83 and  name  ZN  )  2.00  0.05 0.05

! phi residue      5
assign (resid    4 and name C)  (resid    5 and name N)
       (resid    5 and name CA) (resid    5 and name C) 1.0 -111.5   52.0 2
! psi residue      5
assign (resid    5 and name N)  (resid    5 and name CA)
       (resid    5 and name C)  (resid    6 and name N) 1.0  139.4   35.9 2
! phi residue     12
assign (resid   11 and name C)  (resid   12 and name N)
       (resid   12 and name CA) (resid   12 and name C) 1.0 -119.7   55.5 2
! psi residue     12
assign (resid   12 and name N)  (resid   12 and name CA)
       (resid   12 and name C)  (resid   13 and name N) 1.0  145.5   35.2 2
! phi residue     13
assign (resid   12 and name C)  (resid   13 and name N)
       (resid   13 and name CA) (resid   13 and name C) 1.0 -133.5   39.9 2
! psi residue     13
assign (resid   13 and name N)  (resid   13 and name CA)
       (resid   13 and name C)  (resid   14 and name N) 1.0  153.8   21.5 2
! phi residue     16
assign (resid   15 and name C)  (resid   16 and name N)
       (resid   16 and name CA) (resid   16 and name C) 1.0  -58.1   10.9 2
! psi residue     16
assign (resid   16 and name N)  (resid   16 and name CA)
       (resid   16 and name C)  (resid   17 and name N) 1.0  -40.8   12.8 2
! phi residue     17
assign (resid   16 and name C)  (resid   17 and name N)
       (resid   17 and name CA) (resid   17 and name C) 1.0  -61.8   11.5 2
! psi residue     17
assign (resid   17 and name N)  (resid   17 and name CA)
       (resid   17 and name C)  (resid   18 and name N) 1.0  -35.1   10.0 2
! phi residue     18
assign (resid   17 and name C)  (resid   18 and name N)
       (resid   18 and name CA) (resid   18 and name C) 1.0  -63.2   14.0 2
! psi residue     18
assign (resid   18 and name N)  (resid   18 and name CA)
       (resid   18 and name C)  (resid   19 and name N) 1.0  -40.3   13.8 2
! phi residue     19
assign (resid   18 and name C)  (resid   19 and name N)
       (resid   19 and name CA) (resid   19 and name C) 1.0  -63.4   10.0 2
! psi residue     19
assign (resid   19 and name N)  (resid   19 and name CA)
       (resid   19 and name C)  (resid   20 and name N) 1.0  -38.1   10.4 2
! phi residue     20
assign (resid   19 and name C)  (resid   20 and name N)
       (resid   20 and name CA) (resid   20 and name C) 1.0  -63.7   10.0 2
! psi residue     20
assign (resid   20 and name N)  (resid   20 and name CA)
       (resid   20 and name C)  (resid   21 and name N) 1.0  -39.4   11.9 2
! phi residue     21
assign (resid   20 and name C)  (resid   21 and name N)
       (resid   21 and name CA) (resid   21 and name C) 1.0  -67.1   18.8 2
! psi residue     21
assign (resid   21 and name N)  (resid   21 and name CA)
       (resid   21 and name C)  (resid   22 and name N) 1.0  -38.0   15.2 2
! phi residue     22
assign (resid   21 and name C)  (resid   22 and name N)
       (resid   22 and name CA) (resid   22 and name C) 1.0  -62.6   13.6 2
! psi residue     22
assign (resid   22 and name N)  (resid   22 and name CA)
       (resid   22 and name C)  (resid   23 and name N) 1.0  -41.4   10.0 2
! phi residue     23
assign (resid   22 and name C)  (resid   23 and name N)
       (resid   23 and name CA) (resid   23 and name C) 1.0  -64.2   12.2 2
! psi residue     23
assign (resid   23 and name N)  (resid   23 and name CA)
       (resid   23 and name C)  (resid   24 and name N) 1.0  -38.8   10.0 2
! phi residue     26
assign (resid   25 and name C)  (resid   26 and name N)
       (resid   26 and name CA) (resid   26 and name C) 1.0  -84.8   35.4 2
! psi residue     26
assign (resid   26 and name N)  (resid   26 and name CA)
       (resid   26 and name C)  (resid   27 and name N) 1.0   -9.6   55.1 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1  13.758  -4.142  -0.206
    2    H2   MET   1           H2       MET   1  13.021  -5.309  -1.198
    3    H3   MET   1           H3       MET   1  14.298  -5.750  -0.166
    4    HA   MET   1           HA       MET   1  13.010  -5.577   1.744
    5    HB2  MET   1           HB2      MET   1  11.402  -3.777  -0.009
    6    HB3  MET   1           HB3      MET   1  10.537  -4.654   1.254
    7    HG2  MET   1           HG2      MET   1  11.834  -3.680   2.979
    8    HG3  MET   1           HG3      MET   1  13.077  -3.138   1.852
    9    HE1  MET   1           HE1      MET   1  12.539  -1.337   3.724
   10    HE2  MET   1           HE2      MET   1  11.684   0.129   3.250
   11    HE3  MET   1           HE3      MET   1  13.099  -0.408   2.335
   12    H    ARG   2           H        ARG   2  12.622  -7.742   1.906
   13    HA   ARG   2           HA       ARG   2  11.691  -9.519   0.012
   14    HB2  ARG   2           HB2      ARG   2  11.897  -9.494   2.889
   15    HB3  ARG   2           HB3      ARG   2  10.410 -10.314   2.411
   16    HG2  ARG   2           HG2      ARG   2  13.000 -10.940   1.010
   17    HG3  ARG   2           HG3      ARG   2  12.614 -11.705   2.553
   18    HD2  ARG   2           HD2      ARG   2  10.789 -11.736   0.133
   19    HD3  ARG   2           HD3      ARG   2  11.873 -13.055   0.577
   20    HE   ARG   2           HE       ARG   2  10.143 -12.313   2.781
   21   HH11  ARG   2          HH11      ARG   2  10.375 -14.009  -0.212
   22   HH12  ARG   2          HH12      ARG   2   9.129 -15.145   0.182
   23   HH21  ARG   2          HH21      ARG   2   8.515 -13.788   3.313
   24   HH22  ARG   2          HH22      ARG   2   8.076 -15.021   2.179
   25    HA   PRO   3           HA       PRO   3   7.124  -8.586   1.054
   26    HB2  PRO   3           HB2      PRO   3   6.520  -6.633   2.839
   27    HB3  PRO   3           HB3      PRO   3   6.913  -8.290   3.339
   28    HG2  PRO   3           HG2      PRO   3   8.589  -5.842   3.415
   29    HG3  PRO   3           HG3      PRO   3   8.521  -7.204   4.544
   30    HD2  PRO   3           HD2      PRO   3  10.479  -6.854   2.588
   31    HD3  PRO   3           HD3      PRO   3  10.092  -8.397   3.379
   32    H    TYR   4           H        TYR   4   5.561  -7.009   0.194
   33    HA   TYR   4           HA       TYR   4   6.702  -5.211  -1.729
   34    HB2  TYR   4           HB2      TYR   4   4.159  -6.288  -1.203
   35    HB3  TYR   4           HB3      TYR   4   3.959  -4.543  -1.051
   36    HD1  TYR   4           HD1      TYR   4   4.925  -7.293  -3.315
   37    HD2  TYR   4           HD2      TYR   4   4.297  -3.060  -2.947
   38    HE1  TYR   4           HE1      TYR   4   4.985  -7.070  -5.784
   39    HE2  TYR   4           HE2      TYR   4   4.356  -2.837  -5.416
   40    HH   TYR   4           HH       TYR   4   4.862  -5.686  -7.507
   41    H    SER   5           H        SER   5   5.212  -2.861  -1.532
   42    HA   SER   5           HA       SER   5   5.605  -1.695   1.130
   43    HB2  SER   5           HB2      SER   5   7.039  -0.055  -0.802
   44    HB3  SER   5           HB3      SER   5   7.558  -0.620   0.783
   45    HG   SER   5           HG       SER   5   7.795  -2.733  -0.389
   46    H    CYS   6           H        CYS   6   4.626   0.410   1.290
   47    HA   CYS   6           HA       CYS   6   2.278   0.795  -0.220
   48    HB2  CYS   6           HB2      CYS   6   3.408   2.023   1.966
   49    HB3  CYS   6           HB3      CYS   6   3.511   3.290   0.744
   50    H    SER   7           H        SER   7   5.517   1.365  -1.143
   51    HA   SER   7           HA       SER   7   6.463   2.531  -2.961
   52    HB2  SER   7           HB2      SER   7   3.945   1.251  -3.914
   53    HB3  SER   7           HB3      SER   7   4.698   2.427  -4.986
   54    HG   SER   7           HG       SER   7   6.705   1.157  -4.433
   55    H    VAL   8           H        VAL   8   4.164   3.855  -1.159
   56    HA   VAL   8           HA       VAL   8   4.253   6.410  -2.669
   57    HB   VAL   8           HB       VAL   8   1.864   4.778  -2.180
   58   HG11  VAL   8          HG11      VAL   8   1.456   6.246  -0.319
   59   HG12  VAL   8          HG12      VAL   8   0.455   6.822  -1.651
   60   HG13  VAL   8          HG13      VAL   8   1.954   7.660  -1.250
   61   HG21  VAL   8          HG21      VAL   8   0.979   6.218  -3.956
   62   HG22  VAL   8          HG22      VAL   8   2.604   5.676  -4.380
   63   HG23  VAL   8          HG23      VAL   8   2.350   7.313  -3.774
   64    H    CYS   9           H        CYS   9   3.039   4.880   0.329
   65    HA   CYS   9           HA       CYS   9   3.568   7.343   1.843
   66    HB2  CYS   9           HB2      CYS   9   2.566   4.600   2.651
   67    HB3  CYS   9           HB3      CYS   9   2.784   5.931   3.786
   68    H    GLY  10           H        GLY  10   4.918   4.064   1.571
   69    HA2  GLY  10           HA2      GLY  10   7.385   3.852   1.750
   70    HA3  GLY  10           HA3      GLY  10   7.330   5.072   3.023
   71    H    LYS  11           H        LYS  11   4.951   2.502   2.821
   72    HA   LYS  11           HA       LYS  11   5.992   1.465   5.411
   73    HB2  LYS  11           HB2      LYS  11   3.294   1.456   4.085
   74    HB3  LYS  11           HB3      LYS  11   3.667   0.255   5.322
   75    HG2  LYS  11           HG2      LYS  11   2.625   2.207   6.365
   76    HG3  LYS  11           HG3      LYS  11   4.310   2.093   6.872
   77    HD2  LYS  11           HD2      LYS  11   4.974   3.796   5.292
   78    HD3  LYS  11           HD3      LYS  11   3.368   3.810   4.561
   79    HE2  LYS  11           HE2      LYS  11   2.889   5.491   5.995
   80    HE3  LYS  11           HE3      LYS  11   2.845   4.253   7.250
   81    HZ1  LYS  11           HZ1      LYS  11   4.648   6.367   6.977
   82    HZ2  LYS  11           HZ2      LYS  11   5.517   4.928   6.746
   83    HZ3  LYS  11           HZ3      LYS  11   4.621   5.159   8.171
   84    H    ARG  12           H        ARG  12   5.165  -1.073   5.516
   85    HA   ARG  12           HA       ARG  12   6.268  -2.366   3.054
   86    HB2  ARG  12           HB2      ARG  12   7.565  -3.851   4.350
   87    HB3  ARG  12           HB3      ARG  12   7.783  -2.299   5.158
   88    HG2  ARG  12           HG2      ARG  12   7.292  -3.782   6.928
   89    HG3  ARG  12           HG3      ARG  12   5.749  -2.992   6.604
   90    HD2  ARG  12           HD2      ARG  12   4.795  -4.963   6.090
   91    HD3  ARG  12           HD3      ARG  12   6.040  -5.292   4.885
   92    HE   ARG  12           HE       ARG  12   7.044  -6.740   6.441
   93   HH11  ARG  12          HH11      ARG  12   5.011  -4.424   7.986
   94   HH12  ARG  12          HH12      ARG  12   5.211  -5.106   9.565
   95   HH21  ARG  12          HH21      ARG  12   7.315  -7.645   8.493
   96   HH22  ARG  12          HH22      ARG  12   6.514  -6.930   9.852
   97    H    PHE  13           H        PHE  13   5.341  -4.408   2.519
   98    HA   PHE  13           HA       PHE  13   3.258  -5.571   4.210
   99    HB2  PHE  13           HB2      PHE  13   2.430  -4.520   1.497
  100    HB3  PHE  13           HB3      PHE  13   1.397  -5.210   2.747
  101    HD1  PHE  13           HD1      PHE  13   1.065  -3.962   4.917
  102    HD2  PHE  13           HD2      PHE  13   3.056  -2.212   1.534
  103    HE1  PHE  13           HE1      PHE  13   0.737  -1.713   5.883
  104    HE2  PHE  13           HE2      PHE  13   2.723   0.035   2.506
  105    HZ   PHE  13           HZ       PHE  13   1.566   0.274   4.675
  106    H    SER  14           H        SER  14   3.061  -7.740   3.736
  107    HA   SER  14           HA       SER  14   4.662  -8.743   1.440
  108    HB2  SER  14           HB2      SER  14   4.005  -9.733   4.109
  109    HB3  SER  14           HB3      SER  14   3.705 -10.942   2.865
  110    HG   SER  14           HG       SER  14   5.803 -11.204   3.137
  111    H    LEU  15           H        LEU  15   1.639  -7.712   1.821
  112    HA   LEU  15           HA       LEU  15   0.505  -9.863   0.077
  113    HB2  LEU  15           HB2      LEU  15  -0.592  -8.477   2.450
  114    HB3  LEU  15           HB3      LEU  15  -1.703  -8.609   1.086
  115    HG   LEU  15           HG       LEU  15  -1.089 -11.077   0.978
  116   HD11  LEU  15          HD11      LEU  15  -0.374 -11.513   3.646
  117   HD12  LEU  15          HD12      LEU  15   0.651 -10.173   3.133
  118   HD13  LEU  15          HD13      LEU  15   0.677 -11.694   2.241
  119   HD21  LEU  15          HD21      LEU  15  -2.619  -9.716   3.151
  120   HD22  LEU  15          HD22      LEU  15  -2.360 -11.453   3.309
  121   HD23  LEU  15          HD23      LEU  15  -3.191 -10.811   1.892
  122    H    LYS  16           H        LYS  16   0.901  -8.896  -1.915
  123    HA   LYS  16           HA       LYS  16   0.896  -6.208  -2.611
  124    HB2  LYS  16           HB2      LYS  16  -0.448  -8.253  -4.380
  125    HB3  LYS  16           HB3      LYS  16   0.549  -6.877  -4.854
  126    HG2  LYS  16           HG2      LYS  16   2.409  -8.099  -3.456
  127    HG3  LYS  16           HG3      LYS  16   1.398  -9.522  -3.713
  128    HD2  LYS  16           HD2      LYS  16   2.233  -7.722  -5.992
  129    HD3  LYS  16           HD3      LYS  16   3.219  -9.088  -5.469
  130    HE2  LYS  16           HE2      LYS  16   1.743 -10.639  -6.278
  131    HE3  LYS  16           HE3      LYS  16   0.334  -9.651  -5.891
  132    HZ1  LYS  16           HZ1      LYS  16   0.316  -8.797  -7.926
  133    HZ2  LYS  16           HZ2      LYS  16   1.440  -9.988  -8.365
  134    HZ3  LYS  16           HZ3      LYS  16   1.979  -8.449  -7.892
  135    H    HIS  17           H        HIS  17  -1.959  -8.350  -2.421
  136    HA   HIS  17           HA       HIS  17  -3.876  -6.397  -3.229
  137    HB2  HIS  17           HB2      HIS  17  -4.278  -8.667  -1.253
  138    HB3  HIS  17           HB3      HIS  17  -5.535  -7.850  -2.181
  139    HD1  HIS  17           HD1      HIS  17  -3.270  -7.829  -4.686
  140    HD2  HIS  17           HD2      HIS  17  -5.106 -11.057  -2.785
  141    HE1  HIS  17           HE1      HIS  17  -3.134  -9.783  -6.296
  142    HE2  HIS  17           HE2      HIS  17  -4.248 -11.751  -5.148
  143    H    GLN  18           H        GLN  18  -2.629  -7.262   0.003
  144    HA   GLN  18           HA       GLN  18  -4.253  -5.502   1.520
  145    HB2  GLN  18           HB2      GLN  18  -2.698  -7.219   2.481
  146    HB3  GLN  18           HB3      GLN  18  -1.342  -6.179   2.047
  147    HG2  GLN  18           HG2      GLN  18  -3.575  -4.967   3.621
  148    HG3  GLN  18           HG3      GLN  18  -2.470  -6.054   4.464
  149   HE21  GLN  18          HE21      GLN  18  -0.810  -4.638   1.881
  150   HE22  GLN  18          HE22      GLN  18  -0.069  -3.365   2.724
  151    H    MET  19           H        MET  19  -0.973  -4.918   0.197
  152    HA   MET  19           HA       MET  19  -0.860  -2.153   0.888
  153    HB2  MET  19           HB2      MET  19   1.084  -3.530   0.103
  154    HB3  MET  19           HB3      MET  19   0.398  -3.502  -1.521
  155    HG2  MET  19           HG2      MET  19   0.885  -0.936  -0.019
  156    HG3  MET  19           HG3      MET  19   2.190  -1.715  -0.914
  157    HE1  MET  19           HE1      MET  19   1.767  -2.659  -3.378
  158    HE2  MET  19           HE2      MET  19   2.702  -1.165  -3.223
  159    HE3  MET  19           HE3      MET  19   1.503  -1.330  -4.504
  160    H    GLU  20           H        GLU  20  -1.849  -3.760  -2.139
  161    HA   GLU  20           HA       GLU  20  -2.577  -1.416  -3.570
  162    HB2  GLU  20           HB2      GLU  20  -2.580  -3.306  -4.914
  163    HB3  GLU  20           HB3      GLU  20  -3.343  -4.306  -3.679
  164    HG2  GLU  20           HG2      GLU  20  -5.474  -3.580  -4.205
  165    HG3  GLU  20           HG3      GLU  20  -4.908  -2.020  -4.804
  166    H    THR  21           H        THR  21  -4.300  -3.369  -1.196
  167    HA   THR  21           HA       THR  21  -6.841  -2.018  -1.504
  168    HB   THR  21           HB       THR  21  -5.613  -3.853   0.528
  169    HG1  THR  21           HG1      THR  21  -6.778  -4.589  -1.319
  170   HG21  THR  21          HG21      THR  21  -7.734  -3.597   1.883
  171   HG22  THR  21          HG22      THR  21  -8.070  -2.138   0.953
  172   HG23  THR  21          HG23      THR  21  -6.633  -2.222   1.972
  173    H    HIS  22           H        HIS  22  -3.855  -1.294   0.069
  174    HA   HIS  22           HA       HIS  22  -4.968   0.642   1.953
  175    HB2  HIS  22           HB2      HIS  22  -2.898  -0.184   2.669
  176    HB3  HIS  22           HB3      HIS  22  -2.196  -0.105   1.054
  177    HD1  HIS  22           HD1      HIS  22  -2.523   1.798   4.169
  178    HD2  HIS  22           HD2      HIS  22  -1.684   2.678   0.182
  179    HE1  HIS  22           HE1      HIS  22  -1.524   4.125   4.144
  180    H    TYR  23           H        TYR  23  -3.614   0.734  -1.303
  181    HA   TYR  23           HA       TYR  23  -3.201   3.488  -1.628
  182    HB2  TYR  23           HB2      TYR  23  -3.962   1.259  -3.455
  183    HB3  TYR  23           HB3      TYR  23  -4.189   2.901  -4.055
  184    HD1  TYR  23           HD1      TYR  23  -1.595   1.389  -1.805
  185    HD2  TYR  23           HD2      TYR  23  -2.425   3.422  -5.498
  186    HE1  TYR  23           HE1      TYR  23   0.837   1.567  -2.255
  187    HE2  TYR  23           HE2      TYR  23   0.006   3.599  -5.947
  188    HH   TYR  23           HH       TYR  23   2.387   2.083  -3.794
  189    H    ARG  24           H        ARG  24  -6.214   1.687  -1.451
  190    HA   ARG  24           HA       ARG  24  -8.031   3.538  -2.530
  191    HB2  ARG  24           HB2      ARG  24  -8.577   1.262  -1.538
  192    HB3  ARG  24           HB3      ARG  24  -8.481   2.017   0.054
  193    HG2  ARG  24           HG2      ARG  24 -10.433   3.184  -0.228
  194    HG3  ARG  24           HG3      ARG  24 -10.171   3.404  -1.959
  195    HD2  ARG  24           HD2      ARG  24 -11.143   1.388  -2.505
  196    HD3  ARG  24           HD3      ARG  24 -10.654   0.624  -0.993
  197    HE   ARG  24           HE       ARG  24 -12.701   2.725  -0.738
  198   HH11  ARG  24          HH11      ARG  24 -11.884  -0.608  -1.074
  199   HH12  ARG  24          HH12      ARG  24 -13.387  -1.179  -0.428
  200   HH21  ARG  24          HH21      ARG  24 -14.668   1.998   0.107
  201   HH22  ARG  24          HH22      ARG  24 -14.963   0.297   0.241
  202    H    VAL  25           H        VAL  25  -5.740   4.172  -0.273
  203    HA   VAL  25           HA       VAL  25  -7.352   6.155   1.244
  204    HB   VAL  25           HB       VAL  25  -4.774   4.718   1.658
  205   HG11  VAL  25          HG11      VAL  25  -4.154   6.515   3.375
  206   HG12  VAL  25          HG12      VAL  25  -5.291   7.571   2.535
  207   HG13  VAL  25          HG13      VAL  25  -3.882   6.937   1.685
  208   HG21  VAL  25          HG21      VAL  25  -7.062   5.692   3.394
  209   HG22  VAL  25          HG22      VAL  25  -5.635   4.883   4.042
  210   HG23  VAL  25          HG23      VAL  25  -6.703   4.030   2.927
  211    H    HIS  26           H        HIS  26  -5.100   5.862  -1.343
  212    HA   HIS  26           HA       HIS  26  -4.168   8.641  -1.199
  213    HB2  HIS  26           HB2      HIS  26  -3.871   6.679  -3.488
  214    HB3  HIS  26           HB3      HIS  26  -2.888   8.109  -3.168
  215    HD1  HIS  26           HD1      HIS  26  -2.757   7.474   0.000
  216    HD2  HIS  26           HD2      HIS  26  -1.665   4.908  -3.096
  217    HE1  HIS  26           HE1      HIS  26  -1.124   5.813   0.991
  218    H    THR  27           H        THR  27  -7.110   7.657  -1.725
  219    HA   THR  27           HA       THR  27  -7.672   8.776  -4.370
  220    HB   THR  27           HB       THR  27 -10.059   8.451  -3.685
  221    HG1  THR  27           HG1      THR  27 -10.449   8.284  -1.648
  222   HG21  THR  27          HG21      THR  27  -8.912   6.615  -4.768
  223   HG22  THR  27          HG22      THR  27  -9.888   5.957  -3.457
  224   HG23  THR  27          HG23      THR  27  -8.147   6.143  -3.251
  225    H    GLY  28           H        GLY  28 -10.125  10.164  -3.514
  226    HA2  GLY  28           HA2      GLY  28 -10.332  12.137  -1.821
  227    HA3  GLY  28           HA3      GLY  28  -8.830  12.681  -2.570
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1  11.267 -11.939   3.762
    2    H2   MET   1           H2       MET   1  11.922 -13.504   3.665
    3    H3   MET   1           H3       MET   1  10.253 -13.265   3.459
    4    HA   MET   1           HA       MET   1  12.426 -12.916   1.573
    5    HB2  MET   1           HB2      MET   1   9.906 -14.224   1.762
    6    HB3  MET   1           HB3      MET   1   9.782 -13.043   0.458
    7    HG2  MET   1           HG2      MET   1  10.631 -15.035  -0.551
    8    HG3  MET   1           HG3      MET   1  12.012 -13.949  -0.394
    9    HE1  MET   1           HE1      MET   1  11.026 -17.751   1.920
   10    HE2  MET   1           HE2      MET   1  10.807 -17.514   0.188
   11    HE3  MET   1           HE3      MET   1   9.883 -16.541   1.340
   12    H    ARG   2           H        ARG   2  12.623 -11.175   0.164
   13    HA   ARG   2           HA       ARG   2  12.076  -8.592   0.855
   14    HB2  ARG   2           HB2      ARG   2  13.325  -9.179  -1.179
   15    HB3  ARG   2           HB3      ARG   2  11.833  -9.711  -1.953
   16    HG2  ARG   2           HG2      ARG   2  12.262  -7.472  -2.723
   17    HG3  ARG   2           HG3      ARG   2  10.922  -7.378  -1.579
   18    HD2  ARG   2           HD2      ARG   2  12.283  -6.485   0.128
   19    HD3  ARG   2           HD3      ARG   2  13.770  -7.008  -0.662
   20    HE   ARG   2           HE       ARG   2  12.401  -5.157  -2.364
   21   HH11  ARG   2          HH11      ARG   2  14.145  -5.406   0.600
   22   HH12  ARG   2          HH12      ARG   2  14.751  -3.784   0.533
   23   HH21  ARG   2          HH21      ARG   2  13.183  -3.039  -2.468
   24   HH22  ARG   2          HH22      ARG   2  14.207  -2.444  -1.204
   25    HA   PRO   3           HA       PRO   3   7.541  -8.905   0.815
   26    HB2  PRO   3           HB2      PRO   3   7.107  -6.957   2.657
   27    HB3  PRO   3           HB3      PRO   3   7.589  -8.604   3.104
   28    HG2  PRO   3           HG2      PRO   3   9.205  -6.121   3.003
   29    HG3  PRO   3           HG3      PRO   3   9.312  -7.498   4.110
   30    HD2  PRO   3           HD2      PRO   3  10.998  -7.063   1.925
   31    HD3  PRO   3           HD3      PRO   3  10.773  -8.621   2.750
   32    H    TYR   4           H        TYR   4   5.806  -7.104   0.545
   33    HA   TYR   4           HA       TYR   4   6.703  -5.329  -1.618
   34    HB2  TYR   4           HB2      TYR   4   4.288  -6.622  -0.950
   35    HB3  TYR   4           HB3      TYR   4   3.965  -4.897  -0.775
   36    HD1  TYR   4           HD1      TYR   4   4.386  -3.342  -2.690
   37    HD2  TYR   4           HD2      TYR   4   4.687  -7.608  -3.100
   38    HE1  TYR   4           HE1      TYR   4   4.275  -3.114  -5.157
   39    HE2  TYR   4           HE2      TYR   4   4.575  -7.378  -5.567
   40    HH   TYR   4           HH       TYR   4   5.181  -5.431  -7.259
   41    H    SER   5           H        SER   5   5.512  -3.016  -1.474
   42    HA   SER   5           HA       SER   5   5.421  -1.855   1.195
   43    HB2  SER   5           HB2      SER   5   7.373  -0.210   0.150
   44    HB3  SER   5           HB3      SER   5   7.647  -1.466   1.355
   45    HG   SER   5           HG       SER   5   7.711  -1.860  -1.459
   46    H    CYS   6           H        CYS   6   4.617   0.317   1.135
   47    HA   CYS   6           HA       CYS   6   3.101   0.926  -1.287
   48    HB2  CYS   6           HB2      CYS   6   2.144   1.364   0.941
   49    HB3  CYS   6           HB3      CYS   6   3.442   2.506   1.283
   50    H    SER   7           H        SER   7   4.211   1.780  -2.988
   51    HA   SER   7           HA       SER   7   6.655   3.272  -2.726
   52    HB2  SER   7           HB2      SER   7   5.368   2.053  -4.807
   53    HB3  SER   7           HB3      SER   7   5.032   3.748  -5.151
   54    HG   SER   7           HG       SER   7   7.060   4.025  -5.632
   55    H    VAL   8           H        VAL   8   3.712   4.166  -1.694
   56    HA   VAL   8           HA       VAL   8   4.115   7.031  -2.463
   57    HB   VAL   8           HB       VAL   8   1.682   5.345  -2.145
   58   HG11  VAL   8          HG11      VAL   8   1.115   6.774  -0.372
   59   HG12  VAL   8          HG12      VAL   8   0.426   7.610  -1.764
   60   HG13  VAL   8          HG13      VAL   8   1.961   8.148  -1.082
   61   HG21  VAL   8          HG21      VAL   8   2.325   6.080  -4.352
   62   HG22  VAL   8          HG22      VAL   8   2.492   7.748  -3.804
   63   HG23  VAL   8          HG23      VAL   8   0.896   7.003  -3.888
   64    H    CYS   9           H        CYS   9   2.421   5.274   0.149
   65    HA   CYS   9           HA       CYS   9   2.953   7.303   2.104
   66    HB2  CYS   9           HB2      CYS   9   2.065   4.425   2.263
   67    HB3  CYS   9           HB3      CYS   9   2.355   5.374   3.720
   68    H    GLY  10           H        GLY  10   4.513   4.168   1.420
   69    HA2  GLY  10           HA2      GLY  10   6.927   3.904   1.617
   70    HA3  GLY  10           HA3      GLY  10   6.934   5.201   2.812
   71    H    LYS  11           H        LYS  11   5.105   2.134   2.493
   72    HA   LYS  11           HA       LYS  11   6.073   1.438   5.236
   73    HB2  LYS  11           HB2      LYS  11   3.296   1.313   4.074
   74    HB3  LYS  11           HB3      LYS  11   3.765   0.229   5.383
   75    HG2  LYS  11           HG2      LYS  11   3.000   1.998   6.645
   76    HG3  LYS  11           HG3      LYS  11   4.670   2.522   6.434
   77    HD2  LYS  11           HD2      LYS  11   3.876   3.728   4.323
   78    HD3  LYS  11           HD3      LYS  11   2.233   3.424   4.890
   79    HE2  LYS  11           HE2      LYS  11   4.303   5.264   5.978
   80    HE3  LYS  11           HE3      LYS  11   2.552   5.453   5.917
   81    HZ1  LYS  11           HZ1      LYS  11   3.936   4.839   8.129
   82    HZ2  LYS  11           HZ2      LYS  11   3.475   3.295   7.599
   83    HZ3  LYS  11           HZ3      LYS  11   2.292   4.477   7.896
   84    H    ARG  12           H        ARG  12   5.279  -1.095   5.513
   85    HA   ARG  12           HA       ARG  12   6.277  -2.490   3.060
   86    HB2  ARG  12           HB2      ARG  12   8.065  -2.926   4.422
   87    HB3  ARG  12           HB3      ARG  12   7.135  -2.664   5.898
   88    HG2  ARG  12           HG2      ARG  12   6.654  -5.071   4.139
   89    HG3  ARG  12           HG3      ARG  12   7.893  -5.080   5.395
   90    HD2  ARG  12           HD2      ARG  12   5.532  -3.994   6.556
   91    HD3  ARG  12           HD3      ARG  12   5.061  -5.454   5.685
   92    HE   ARG  12           HE       ARG  12   6.866  -5.335   8.017
   93   HH11  ARG  12          HH11      ARG  12   5.542  -7.071   5.347
   94   HH12  ARG  12          HH12      ARG  12   5.930  -8.628   5.996
   95   HH21  ARG  12          HH21      ARG  12   7.380  -7.360   8.879
   96   HH22  ARG  12          HH22      ARG  12   6.971  -8.792   7.997
   97    H    PHE  13           H        PHE  13   5.254  -4.458   2.547
   98    HA   PHE  13           HA       PHE  13   3.261  -5.612   4.358
   99    HB2  PHE  13           HB2      PHE  13   2.319  -4.552   1.683
  100    HB3  PHE  13           HB3      PHE  13   1.336  -5.254   2.967
  101    HD1  PHE  13           HD1      PHE  13   1.320  -4.042   5.261
  102    HD2  PHE  13           HD2      PHE  13   2.717  -2.230   1.623
  103    HE1  PHE  13           HE1      PHE  13   1.034  -1.801   6.261
  104    HE2  PHE  13           HE2      PHE  13   2.427   0.005   2.627
  105    HZ   PHE  13           HZ       PHE  13   1.587   0.212   4.940
  106    H    SER  14           H        SER  14   2.881  -7.770   3.829
  107    HA   SER  14           HA       SER  14   4.424  -8.799   1.493
  108    HB2  SER  14           HB2      SER  14   3.364 -10.196   3.968
  109    HB3  SER  14           HB3      SER  14   4.198 -11.012   2.648
  110    HG   SER  14           HG       SER  14   5.666  -8.936   3.303
  111    H    LEU  15           H        LEU  15   1.486  -7.691   1.856
  112    HA   LEU  15           HA       LEU  15   0.228  -9.927   0.317
  113    HB2  LEU  15           HB2      LEU  15  -0.783  -8.283   2.574
  114    HB3  LEU  15           HB3      LEU  15  -1.920  -8.563   1.254
  115    HG   LEU  15           HG       LEU  15  -1.996 -10.319   3.061
  116   HD11  LEU  15          HD11      LEU  15  -1.028 -11.813   0.705
  117   HD12  LEU  15          HD12      LEU  15  -2.231 -10.575   0.344
  118   HD13  LEU  15          HD13      LEU  15  -2.604 -11.858   1.496
  119   HD21  LEU  15          HD21      LEU  15   0.676 -10.153   3.122
  120   HD22  LEU  15          HD22      LEU  15   0.530 -11.464   1.950
  121   HD23  LEU  15          HD23      LEU  15  -0.166 -11.640   3.560
  122    H    LYS  16           H        LYS  16   0.569  -9.153  -1.756
  123    HA   LYS  16           HA       LYS  16   0.675  -6.536  -2.675
  124    HB2  LYS  16           HB2      LYS  16  -0.697  -8.851  -4.080
  125    HB3  LYS  16           HB3      LYS  16  -0.103  -7.382  -4.855
  126    HG2  LYS  16           HG2      LYS  16   2.130  -7.966  -4.563
  127    HG3  LYS  16           HG3      LYS  16   1.783  -9.010  -3.183
  128    HD2  LYS  16           HD2      LYS  16   0.557 -10.543  -4.799
  129    HD3  LYS  16           HD3      LYS  16   1.241  -9.576  -6.106
  130    HE2  LYS  16           HE2      LYS  16   2.899 -10.918  -3.954
  131    HE3  LYS  16           HE3      LYS  16   2.599 -11.617  -5.545
  132    HZ1  LYS  16           HZ1      LYS  16   3.483  -9.416  -6.429
  133    HZ2  LYS  16           HZ2      LYS  16   4.609 -10.501  -5.775
  134    HZ3  LYS  16           HZ3      LYS  16   4.094  -9.162  -4.865
  135    H    HIS  17           H        HIS  17  -2.307  -8.505  -2.379
  136    HA   HIS  17           HA       HIS  17  -4.125  -6.486  -3.192
  137    HB2  HIS  17           HB2      HIS  17  -4.266  -9.058  -1.835
  138    HB3  HIS  17           HB3      HIS  17  -5.436  -7.919  -1.169
  139    HD1  HIS  17           HD1      HIS  17  -7.159  -6.850  -2.889
  140    HD2  HIS  17           HD2      HIS  17  -4.862  -9.977  -4.422
  141    HE1  HIS  17           HE1      HIS  17  -8.282  -7.577  -5.042
  142    HE2  HIS  17           HE2      HIS  17  -6.891  -9.479  -5.983
  143    H    GLN  18           H        GLN  18  -2.854  -7.247   0.061
  144    HA   GLN  18           HA       GLN  18  -4.328  -5.294   1.497
  145    HB2  GLN  18           HB2      GLN  18  -2.866  -7.071   2.519
  146    HB3  GLN  18           HB3      GLN  18  -1.460  -6.121   2.039
  147    HG2  GLN  18           HG2      GLN  18  -3.701  -5.030   3.758
  148    HG3  GLN  18           HG3      GLN  18  -2.221  -5.726   4.417
  149   HE21  GLN  18          HE21      GLN  18  -0.458  -4.676   2.302
  150   HE22  GLN  18          HE22      GLN  18  -0.353  -3.000   2.545
  151    H    MET  19           H        MET  19  -1.030  -5.015   0.109
  152    HA   MET  19           HA       MET  19  -0.697  -2.242   0.647
  153    HB2  MET  19           HB2      MET  19   1.074  -3.857  -0.197
  154    HB3  MET  19           HB3      MET  19   0.346  -3.699  -1.795
  155    HG2  MET  19           HG2      MET  19   0.651  -1.065  -0.849
  156    HG3  MET  19           HG3      MET  19   2.153  -1.890  -0.436
  157    HE1  MET  19           HE1      MET  19  -0.335  -2.560  -3.570
  158    HE2  MET  19           HE2      MET  19   0.263  -1.199  -4.529
  159    HE3  MET  19           HE3      MET  19  -0.410  -0.923  -2.924
  160    H    GLU  20           H        GLU  20  -1.939  -3.899  -2.255
  161    HA   GLU  20           HA       GLU  20  -2.591  -1.554  -3.737
  162    HB2  GLU  20           HB2      GLU  20  -2.772  -3.444  -5.053
  163    HB3  GLU  20           HB3      GLU  20  -3.453  -4.412  -3.746
  164    HG2  GLU  20           HG2      GLU  20  -5.609  -3.593  -4.076
  165    HG3  GLU  20           HG3      GLU  20  -5.037  -2.118  -4.857
  166    H    THR  21           H        THR  21  -4.328  -3.388  -1.276
  167    HA   THR  21           HA       THR  21  -6.782  -1.852  -1.486
  168    HB   THR  21           HB       THR  21  -5.649  -3.861   0.425
  169    HG1  THR  21           HG1      THR  21  -6.972  -4.387  -1.398
  170   HG21  THR  21          HG21      THR  21  -7.679  -3.467   1.890
  171   HG22  THR  21          HG22      THR  21  -7.901  -1.936   1.043
  172   HG23  THR  21          HG23      THR  21  -6.439  -2.216   1.989
  173    H    HIS  22           H        HIS  22  -3.704  -1.417   0.002
  174    HA   HIS  22           HA       HIS  22  -4.581   0.520   2.001
  175    HB2  HIS  22           HB2      HIS  22  -2.548  -0.421   2.615
  176    HB3  HIS  22           HB3      HIS  22  -1.946  -0.457   0.958
  177    HD1  HIS  22           HD1      HIS  22  -2.741   2.077   3.689
  178    HD2  HIS  22           HD2      HIS  22  -0.338   1.706   0.303
  179    HE1  HIS  22           HE1      HIS  22  -1.276   4.142   3.620
  180    H    TYR  23           H        TYR  23  -3.501   0.631  -1.338
  181    HA   TYR  23           HA       TYR  23  -2.915   3.406  -1.532
  182    HB2  TYR  23           HB2      TYR  23  -3.540   1.212  -3.391
  183    HB3  TYR  23           HB3      TYR  23  -4.026   2.803  -3.976
  184    HD1  TYR  23           HD1      TYR  23  -1.127   1.387  -2.041
  185    HD2  TYR  23           HD2      TYR  23  -2.440   3.861  -5.299
  186    HE1  TYR  23           HE1      TYR  23   1.233   1.908  -2.598
  187    HE2  TYR  23           HE2      TYR  23  -0.080   4.380  -5.855
  188    HH   TYR  23           HH       TYR  23   2.455   3.840  -3.791
  189    H    ARG  24           H        ARG  24  -5.967   1.648  -1.529
  190    HA   ARG  24           HA       ARG  24  -7.711   3.630  -2.514
  191    HB2  ARG  24           HB2      ARG  24  -8.003   1.464  -0.444
  192    HB3  ARG  24           HB3      ARG  24  -9.323   2.605  -0.709
  193    HG2  ARG  24           HG2      ARG  24  -8.009   1.057  -2.954
  194    HG3  ARG  24           HG3      ARG  24  -9.441   0.482  -2.100
  195    HD2  ARG  24           HD2      ARG  24 -10.600   1.663  -3.654
  196    HD3  ARG  24           HD3      ARG  24 -10.144   3.071  -2.697
  197    HE   ARG  24           HE       ARG  24  -8.173   2.275  -4.725
  198   HH11  ARG  24          HH11      ARG  24 -10.921   4.165  -3.853
  199   HH12  ARG  24          HH12      ARG  24 -10.658   5.358  -5.081
  200   HH21  ARG  24          HH21      ARG  24  -7.812   3.821  -6.334
  201   HH22  ARG  24          HH22      ARG  24  -8.897   5.163  -6.486
  202    H    VAL  25           H        VAL  25  -5.501   4.074  -0.163
  203    HA   VAL  25           HA       VAL  25  -7.188   5.849   1.520
  204    HB   VAL  25           HB       VAL  25  -4.542   4.493   1.828
  205   HG11  VAL  25          HG11      VAL  25  -3.813   6.749   2.162
  206   HG12  VAL  25          HG12      VAL  25  -4.085   6.087   3.774
  207   HG13  VAL  25          HG13      VAL  25  -5.278   7.165   3.050
  208   HG21  VAL  25          HG21      VAL  25  -5.487   4.337   4.200
  209   HG22  VAL  25          HG22      VAL  25  -6.412   3.503   2.951
  210   HG23  VAL  25          HG23      VAL  25  -6.961   5.064   3.560
  211    H    HIS  26           H        HIS  26  -5.089   5.917  -1.148
  212    HA   HIS  26           HA       HIS  26  -4.076   8.633  -0.679
  213    HB2  HIS  26           HB2      HIS  26  -3.991   7.008  -3.234
  214    HB3  HIS  26           HB3      HIS  26  -2.962   8.372  -2.801
  215    HD1  HIS  26           HD1      HIS  26  -3.188   6.729   0.256
  216    HD2  HIS  26           HD2      HIS  26  -1.209   5.764  -3.283
  217    HE1  HIS  26           HE1      HIS  26  -1.363   5.090   0.881
  218    H    THR  27           H        THR  27  -7.062   7.611  -1.285
  219    HA   THR  27           HA       THR  27  -7.773   9.214  -3.611
  220    HB   THR  27           HB       THR  27  -9.075   7.209  -2.908
  221    HG1  THR  27           HG1      THR  27 -10.150   8.719  -4.131
  222   HG21  THR  27          HG21      THR  27  -8.792   8.067  -0.393
  223   HG22  THR  27          HG22      THR  27 -10.147   7.048  -0.878
  224   HG23  THR  27          HG23      THR  27 -10.363   8.793  -0.736
  225    H    GLY  28           H        GLY  28  -6.361  10.605  -1.417
  226    HA2  GLY  28           HA2      GLY  28  -8.441  12.683  -0.876
  227    HA3  GLY  28           HA3      GLY  28  -7.305  12.195   0.382
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1   9.300 -14.600  -0.172
    2    H2   MET   1           H2       MET   1   9.690 -15.827   0.936
    3    H3   MET   1           H3       MET   1  10.775 -15.426  -0.309
    4    HA   MET   1           HA       MET   1  10.141 -13.944   2.156
    5    HB2  MET   1           HB2      MET   1  12.815 -14.176   0.815
    6    HB3  MET   1           HB3      MET   1  12.435 -14.070   2.535
    7    HG2  MET   1           HG2      MET   1  11.166 -16.400   1.825
    8    HG3  MET   1           HG3      MET   1  12.593 -16.439   0.790
    9    HE1  MET   1           HE1      MET   1  11.838 -18.399   2.501
   10    HE2  MET   1           HE2      MET   1  11.928 -18.205   4.251
   11    HE3  MET   1           HE3      MET   1  13.294 -18.893   3.362
   12    H    ARG   2           H        ARG   2   9.204 -13.140  -0.598
   13    HA   ARG   2           HA       ARG   2  10.716 -10.564  -0.792
   14    HB2  ARG   2           HB2      ARG   2   9.641 -12.421  -2.847
   15    HB3  ARG   2           HB3      ARG   2   9.428 -10.699  -3.169
   16    HG2  ARG   2           HG2      ARG   2  11.695 -10.306  -3.333
   17    HG3  ARG   2           HG3      ARG   2  12.108 -11.601  -2.210
   18    HD2  ARG   2           HD2      ARG   2  10.874 -12.296  -4.856
   19    HD3  ARG   2           HD3      ARG   2  12.592 -11.902  -4.781
   20    HE   ARG   2           HE       ARG   2  12.157 -13.779  -2.743
   21   HH11  ARG   2          HH11      ARG   2  11.777 -13.519  -6.161
   22   HH12  ARG   2          HH12      ARG   2  12.045 -15.204  -6.452
   23   HH21  ARG   2          HH21      ARG   2  12.508 -15.982  -3.105
   24   HH22  ARG   2          HH22      ARG   2  12.460 -16.599  -4.723
   25    HA   PRO   3           HA       PRO   3   6.455  -9.482   0.537
   26    HB2  PRO   3           HB2      PRO   3   7.189  -7.540   2.295
   27    HB3  PRO   3           HB3      PRO   3   7.185  -9.262   2.716
   28    HG2  PRO   3           HG2      PRO   3   9.461  -7.484   2.047
   29    HG3  PRO   3           HG3      PRO   3   9.376  -8.838   3.185
   30    HD2  PRO   3           HD2      PRO   3  10.495  -8.968   0.634
   31    HD3  PRO   3           HD3      PRO   3   9.960 -10.370   1.584
   32    H    TYR   4           H        TYR   4   5.316  -7.317   0.431
   33    HA   TYR   4           HA       TYR   4   6.521  -5.671  -1.743
   34    HB2  TYR   4           HB2      TYR   4   4.032  -6.775  -1.582
   35    HB3  TYR   4           HB3      TYR   4   3.722  -5.169  -0.922
   36    HD1  TYR   4           HD1      TYR   4   5.796  -6.644  -3.690
   37    HD2  TYR   4           HD2      TYR   4   3.040  -3.582  -2.473
   38    HE1  TYR   4           HE1      TYR   4   5.845  -5.691  -5.978
   39    HE2  TYR   4           HE2      TYR   4   3.089  -2.628  -4.762
   40    HH   TYR   4           HH       TYR   4   5.082  -2.806  -6.783
   41    H    SER   5           H        SER   5   5.252  -3.281  -1.438
   42    HA   SER   5           HA       SER   5   5.333  -2.328   1.312
   43    HB2  SER   5           HB2      SER   5   7.252  -0.630   0.343
   44    HB3  SER   5           HB3      SER   5   7.590  -2.035   1.348
   45    HG   SER   5           HG       SER   5   8.490  -1.623  -1.029
   46    H    CYS   6           H        CYS   6   4.716  -0.046   1.436
   47    HA   CYS   6           HA       CYS   6   2.914   0.710  -0.715
   48    HB2  CYS   6           HB2      CYS   6   3.324   1.446   2.007
   49    HB3  CYS   6           HB3      CYS   6   3.441   2.916   1.039
   50    H    SER   7           H        SER   7   3.347   2.035  -2.431
   51    HA   SER   7           HA       SER   7   6.060   3.270  -2.530
   52    HB2  SER   7           HB2      SER   7   6.146   2.502  -4.645
   53    HB3  SER   7           HB3      SER   7   4.584   1.726  -4.393
   54    HG   SER   7           HG       SER   7   3.684   3.865  -4.895
   55    H    VAL   8           H        VAL   8   3.253   4.269  -1.460
   56    HA   VAL   8           HA       VAL   8   3.489   6.944  -2.775
   57    HB   VAL   8           HB       VAL   8   1.037   5.316  -2.144
   58   HG11  VAL   8          HG11      VAL   8   1.323   8.321  -2.195
   59   HG12  VAL   8          HG12      VAL   8   0.496   7.319  -1.002
   60   HG13  VAL   8          HG13      VAL   8  -0.202   7.538  -2.606
   61   HG21  VAL   8          HG21      VAL   8   1.049   7.101  -4.457
   62   HG22  VAL   8          HG22      VAL   8   0.774   5.360  -4.391
   63   HG23  VAL   8          HG23      VAL   8   2.418   5.990  -4.472
   64    H    CYS   9           H        CYS   9   3.185   5.070   0.116
   65    HA   CYS   9           HA       CYS   9   3.271   7.599   1.704
   66    HB2  CYS   9           HB2      CYS   9   2.020   6.367   3.487
   67    HB3  CYS   9           HB3      CYS   9   1.077   6.580   2.011
   68    H    GLY  10           H        GLY  10   4.686   4.602   0.928
   69    HA2  GLY  10           HA2      GLY  10   6.798   3.793   1.631
   70    HA3  GLY  10           HA3      GLY  10   6.850   5.073   2.844
   71    H    LYS  11           H        LYS  11   6.597   1.784   2.479
   72    HA   LYS  11           HA       LYS  11   6.254   1.225   5.222
   73    HB2  LYS  11           HB2      LYS  11   3.818   1.994   4.066
   74    HB3  LYS  11           HB3      LYS  11   3.739   0.235   4.160
   75    HG2  LYS  11           HG2      LYS  11   4.530   2.024   6.474
   76    HG3  LYS  11           HG3      LYS  11   2.907   1.374   6.233
   77    HD2  LYS  11           HD2      LYS  11   3.939  -0.936   6.193
   78    HD3  LYS  11           HD3      LYS  11   5.457  -0.190   6.696
   79    HE2  LYS  11           HE2      LYS  11   4.370  -0.941   8.700
   80    HE3  LYS  11           HE3      LYS  11   4.190   0.813   8.655
   81    HZ1  LYS  11           HZ1      LYS  11   2.101  -0.725   7.345
   82    HZ2  LYS  11           HZ2      LYS  11   1.985   0.670   8.302
   83    HZ3  LYS  11           HZ3      LYS  11   2.162  -0.851   9.038
   84    H    ARG  12           H        ARG  12   5.415  -1.233   5.439
   85    HA   ARG  12           HA       ARG  12   6.479  -2.737   3.085
   86    HB2  ARG  12           HB2      ARG  12   7.751  -4.153   4.480
   87    HB3  ARG  12           HB3      ARG  12   8.020  -2.548   5.159
   88    HG2  ARG  12           HG2      ARG  12   7.517  -3.875   7.047
   89    HG3  ARG  12           HG3      ARG  12   5.991  -3.067   6.681
   90    HD2  ARG  12           HD2      ARG  12   4.969  -5.038   6.311
   91    HD3  ARG  12           HD3      ARG  12   6.214  -5.516   5.155
   92    HE   ARG  12           HE       ARG  12   7.355  -5.854   7.700
   93   HH11  ARG  12          HH11      ARG  12   4.655  -6.983   5.878
   94   HH12  ARG  12          HH12      ARG  12   4.608  -8.530   6.655
   95   HH21  ARG  12          HH21      ARG  12   7.309  -7.868   8.726
   96   HH22  ARG  12          HH22      ARG  12   6.111  -9.032   8.267
   97    H    PHE  13           H        PHE  13   5.530  -4.814   2.747
   98    HA   PHE  13           HA       PHE  13   3.412  -5.779   4.517
   99    HB2  PHE  13           HB2      PHE  13   2.688  -4.818   1.732
  100    HB3  PHE  13           HB3      PHE  13   1.602  -5.605   2.877
  101    HD1  PHE  13           HD1      PHE  13   1.513  -4.450   5.287
  102    HD2  PHE  13           HD2      PHE  13   2.710  -2.489   1.656
  103    HE1  PHE  13           HE1      PHE  13   0.993  -2.256   6.295
  104    HE2  PHE  13           HE2      PHE  13   2.186  -0.299   2.668
  105    HZ   PHE  13           HZ       PHE  13   1.329  -0.192   4.982
  106    H    SER  14           H        SER  14   2.670  -7.910   3.843
  107    HA   SER  14           HA       SER  14   4.541  -9.187   1.892
  108    HB2  SER  14           HB2      SER  14   4.613 -10.016   4.267
  109    HB3  SER  14           HB3      SER  14   2.932 -10.512   4.097
  110    HG   SER  14           HG       SER  14   4.727 -11.323   2.126
  111    H    LEU  15           H        LEU  15   1.673  -7.858   1.781
  112    HA   LEU  15           HA       LEU  15   0.582  -9.956  -0.035
  113    HB2  LEU  15           HB2      LEU  15  -0.623  -8.907   2.405
  114    HB3  LEU  15           HB3      LEU  15  -1.652  -8.628   0.999
  115    HG   LEU  15           HG       LEU  15  -0.393 -11.314   1.595
  116   HD11  LEU  15          HD11      LEU  15  -2.015 -11.786   3.093
  117   HD12  LEU  15          HD12      LEU  15  -3.265 -11.110   2.049
  118   HD13  LEU  15          HD13      LEU  15  -2.358 -10.057   3.134
  119   HD21  LEU  15          HD21      LEU  15  -2.767 -11.633   0.194
  120   HD22  LEU  15          HD22      LEU  15  -1.152 -11.657  -0.514
  121   HD23  LEU  15          HD23      LEU  15  -2.087 -10.162  -0.504
  122    H    LYS  16           H        LYS  16   1.210  -8.796  -1.883
  123    HA   LYS  16           HA       LYS  16   1.158  -6.060  -2.352
  124    HB2  LYS  16           HB2      LYS  16   0.157  -7.072  -4.734
  125    HB3  LYS  16           HB3      LYS  16   1.864  -6.968  -4.303
  126    HG2  LYS  16           HG2      LYS  16   1.946  -9.212  -3.583
  127    HG3  LYS  16           HG3      LYS  16   0.191  -9.322  -3.440
  128    HD2  LYS  16           HD2      LYS  16  -0.120  -9.482  -5.757
  129    HD3  LYS  16           HD3      LYS  16   1.452  -8.763  -6.113
  130    HE2  LYS  16           HE2      LYS  16   1.292 -11.279  -6.481
  131    HE3  LYS  16           HE3      LYS  16   2.614 -10.745  -5.443
  132    HZ1  LYS  16           HZ1      LYS  16   0.648 -12.563  -4.812
  133    HZ2  LYS  16           HZ2      LYS  16   0.241 -11.165  -3.942
  134    HZ3  LYS  16           HZ3      LYS  16   1.774 -11.869  -3.747
  135    H    HIS  17           H        HIS  17  -1.583  -8.265  -2.183
  136    HA   HIS  17           HA       HIS  17  -3.539  -6.445  -3.266
  137    HB2  HIS  17           HB2      HIS  17  -3.779  -8.801  -1.374
  138    HB3  HIS  17           HB3      HIS  17  -5.171  -7.917  -1.998
  139    HD1  HIS  17           HD1      HIS  17  -5.064 -10.787  -2.829
  140    HD2  HIS  17           HD2      HIS  17  -3.090  -7.812  -4.986
  141    HE1  HIS  17           HE1      HIS  17  -4.718 -11.705  -5.167
  142    HE2  HIS  17           HE2      HIS  17  -3.516  -9.902  -6.486
  143    H    GLN  18           H        GLN  18  -2.450  -7.153   0.057
  144    HA   GLN  18           HA       GLN  18  -4.233  -5.435   1.430
  145    HB2  GLN  18           HB2      GLN  18  -2.677  -7.026   2.549
  146    HB3  GLN  18           HB3      GLN  18  -1.325  -5.984   2.106
  147    HG2  GLN  18           HG2      GLN  18  -3.490  -4.514   3.414
  148    HG3  GLN  18           HG3      GLN  18  -2.817  -5.783   4.437
  149   HE21  GLN  18          HE21      GLN  18  -0.790  -4.294   1.974
  150   HE22  GLN  18          HE22      GLN  18   0.186  -3.411   3.046
  151    H    MET  19           H        MET  19  -0.921  -4.710   0.267
  152    HA   MET  19           HA       MET  19  -0.977  -1.933   0.889
  153    HB2  MET  19           HB2      MET  19   1.034  -3.318   0.162
  154    HB3  MET  19           HB3      MET  19   0.433  -3.162  -1.489
  155    HG2  MET  19           HG2      MET  19   0.319  -0.568  -0.671
  156    HG3  MET  19           HG3      MET  19   1.709  -1.136   0.251
  157    HE1  MET  19           HE1      MET  19   0.318  -2.098  -3.437
  158    HE2  MET  19           HE2      MET  19   1.150  -0.766  -4.252
  159    HE3  MET  19           HE3      MET  19   0.017  -0.434  -2.943
  160    H    GLU  20           H        GLU  20  -1.757  -3.637  -2.147
  161    HA   GLU  20           HA       GLU  20  -2.508  -1.394  -3.689
  162    HB2  GLU  20           HB2      GLU  20  -2.592  -3.248  -5.020
  163    HB3  GLU  20           HB3      GLU  20  -3.101  -4.294  -3.694
  164    HG2  GLU  20           HG2      GLU  20  -5.370  -3.629  -3.893
  165    HG3  GLU  20           HG3      GLU  20  -4.957  -2.243  -4.903
  166    H    THR  21           H        THR  21  -4.306  -3.267  -1.296
  167    HA   THR  21           HA       THR  21  -6.805  -1.845  -1.693
  168    HB   THR  21           HB       THR  21  -5.714  -3.748   0.355
  169    HG1  THR  21           HG1      THR  21  -6.862  -4.345  -1.600
  170   HG21  THR  21          HG21      THR  21  -7.998  -1.825   0.735
  171   HG22  THR  21          HG22      THR  21  -6.729  -2.274   1.874
  172   HG23  THR  21          HG23      THR  21  -8.025  -3.411   1.506
  173    H    HIS  22           H        HIS  22  -3.853  -1.250  -0.014
  174    HA   HIS  22           HA       HIS  22  -4.955   0.692   1.869
  175    HB2  HIS  22           HB2      HIS  22  -2.932  -0.217   2.624
  176    HB3  HIS  22           HB3      HIS  22  -2.184  -0.127   1.030
  177    HD1  HIS  22           HD1      HIS  22  -2.324   1.626   4.191
  178    HD2  HIS  22           HD2      HIS  22  -1.767   2.748   0.215
  179    HE1  HIS  22           HE1      HIS  22  -1.303   3.943   4.236
  180    H    TYR  23           H        TYR  23  -3.612   0.769  -1.377
  181    HA   TYR  23           HA       TYR  23  -3.023   3.494  -1.668
  182    HB2  TYR  23           HB2      TYR  23  -3.938   1.342  -3.505
  183    HB3  TYR  23           HB3      TYR  23  -4.116   2.999  -4.081
  184    HD1  TYR  23           HD1      TYR  23  -1.504   1.661  -1.783
  185    HD2  TYR  23           HD2      TYR  23  -2.395   3.166  -5.707
  186    HE1  TYR  23           HE1      TYR  23   0.920   1.746  -2.302
  187    HE2  TYR  23           HE2      TYR  23   0.028   3.251  -6.225
  188    HH   TYR  23           HH       TYR  23   2.385   3.197  -4.003
  189    H    ARG  24           H        ARG  24  -6.160   1.893  -1.523
  190    HA   ARG  24           HA       ARG  24  -7.826   3.935  -2.516
  191    HB2  ARG  24           HB2      ARG  24  -8.154   1.569  -0.956
  192    HB3  ARG  24           HB3      ARG  24  -9.011   2.869  -0.128
  193    HG2  ARG  24           HG2      ARG  24 -10.578   1.944  -1.676
  194    HG3  ARG  24           HG3      ARG  24 -10.030   3.459  -2.394
  195    HD2  ARG  24           HD2      ARG  24  -9.529   2.240  -4.232
  196    HD3  ARG  24           HD3      ARG  24  -8.167   1.612  -3.304
  197    HE   ARG  24           HE       ARG  24 -10.614   0.138  -2.778
  198   HH11  ARG  24          HH11      ARG  24  -7.958   0.611  -4.926
  199   HH12  ARG  24          HH12      ARG  24  -8.005  -1.003  -5.552
  200   HH21  ARG  24          HH21      ARG  24 -10.689  -1.972  -3.584
  201   HH22  ARG  24          HH22      ARG  24  -9.551  -2.466  -4.792
  202    H    VAL  25           H        VAL  25  -5.523   4.262  -0.207
  203    HA   VAL  25           HA       VAL  25  -7.011   6.252   1.425
  204    HB   VAL  25           HB       VAL  25  -4.461   4.707   1.727
  205   HG11  VAL  25          HG11      VAL  25  -3.632   6.960   1.982
  206   HG12  VAL  25          HG12      VAL  25  -3.831   6.290   3.601
  207   HG13  VAL  25          HG13      VAL  25  -5.025   7.420   2.961
  208   HG21  VAL  25          HG21      VAL  25  -5.356   4.527   4.058
  209   HG22  VAL  25          HG22      VAL  25  -6.488   3.929   2.844
  210   HG23  VAL  25          HG23      VAL  25  -6.733   5.517   3.573
  211    H    HIS  26           H        HIS  26  -4.937   6.014  -1.264
  212    HA   HIS  26           HA       HIS  26  -3.748   8.687  -0.937
  213    HB2  HIS  26           HB2      HIS  26  -3.682   6.860  -3.355
  214    HB3  HIS  26           HB3      HIS  26  -2.601   8.212  -3.012
  215    HD1  HIS  26           HD1      HIS  26  -2.334   7.417   0.101
  216    HD2  HIS  26           HD2      HIS  26  -1.594   4.926  -3.157
  217    HE1  HIS  26           HE1      HIS  26  -0.763   5.610   0.925
  218    H    THR  27           H        THR  27  -6.729   7.543  -1.863
  219    HA   THR  27           HA       THR  27  -8.430   8.377  -3.275
  220    HB   THR  27           HB       THR  27  -8.777  10.800  -2.981
  221    HG1  THR  27           HG1      THR  27  -6.159  10.676  -1.903
  222   HG21  THR  27          HG21      THR  27  -7.764   9.349  -0.521
  223   HG22  THR  27          HG22      THR  27  -9.419   9.366  -1.129
  224   HG23  THR  27          HG23      THR  27  -8.705  10.841  -0.478
  225    H    GLY  28           H        GLY  28  -7.648   7.673  -5.332
  226    HA2  GLY  28           HA2      GLY  28  -7.470   8.575  -7.610
  227    HA3  GLY  28           HA3      GLY  28  -6.470   9.878  -6.964
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1  11.488 -10.565  -4.782
    2    H2   MET   1           H2       MET   1  11.491 -11.849  -5.895
    3    H3   MET   1           H3       MET   1  12.822 -11.609  -4.866
    4    HA   MET   1           HA       MET   1  10.123 -12.604  -4.187
    5    HB2  MET   1           HB2      MET   1  12.183 -14.057  -4.887
    6    HB3  MET   1           HB3      MET   1  12.786 -13.672  -3.274
    7    HG2  MET   1           HG2      MET   1  10.393 -14.408  -2.495
    8    HG3  MET   1           HG3      MET   1  10.338 -15.234  -4.053
    9    HE1  MET   1           HE1      MET   1   9.765 -16.712  -1.914
   10    HE2  MET   1           HE2      MET   1  10.923 -17.902  -1.325
   11    HE3  MET   1           HE3      MET   1  10.403 -17.929  -3.016
   12    H    ARG   2           H        ARG   2  10.871  -9.970  -3.319
   13    HA   ARG   2           HA       ARG   2  11.259 -10.488  -0.398
   14    HB2  ARG   2           HB2      ARG   2  12.344  -8.311  -2.171
   15    HB3  ARG   2           HB3      ARG   2  12.109  -8.016  -0.448
   16    HG2  ARG   2           HG2      ARG   2  13.465 -10.078   0.025
   17    HG3  ARG   2           HG3      ARG   2  13.811 -10.187  -1.702
   18    HD2  ARG   2           HD2      ARG   2  15.512  -8.744  -1.417
   19    HD3  ARG   2           HD3      ARG   2  14.346  -7.510  -0.939
   20    HE   ARG   2           HE       ARG   2  14.959  -9.281   1.265
   21   HH11  ARG   2          HH11      ARG   2  16.071  -6.634  -0.642
   22   HH12  ARG   2          HH12      ARG   2  17.049  -5.963   0.621
   23   HH21  ARG   2          HH21      ARG   2  16.226  -8.419   2.926
   24   HH22  ARG   2          HH22      ARG   2  17.137  -6.973   2.641
   25    HA   PRO   3           HA       PRO   3   7.350  -8.761   0.614
   26    HB2  PRO   3           HB2      PRO   3   8.881  -6.719   2.178
   27    HB3  PRO   3           HB3      PRO   3   7.520  -7.737   2.683
   28    HG2  PRO   3           HG2      PRO   3  10.057  -8.268   3.385
   29    HG3  PRO   3           HG3      PRO   3   8.849  -9.536   3.120
   30    HD2  PRO   3           HD2      PRO   3  11.196  -8.835   1.470
   31    HD3  PRO   3           HD3      PRO   3  10.248 -10.338   1.501
   32    H    TYR   4           H        TYR   4   6.046  -6.768   0.332
   33    HA   TYR   4           HA       TYR   4   7.254  -4.979  -1.726
   34    HB2  TYR   4           HB2      TYR   4   4.830  -6.349  -1.685
   35    HB3  TYR   4           HB3      TYR   4   4.379  -4.693  -1.275
   36    HD1  TYR   4           HD1      TYR   4   6.516  -6.610  -3.690
   37    HD2  TYR   4           HD2      TYR   4   4.108  -3.124  -2.986
   38    HE1  TYR   4           HE1      TYR   4   6.784  -5.946  -6.065
   39    HE2  TYR   4           HE2      TYR   4   4.375  -2.460  -5.360
   40    HH   TYR   4           HH       TYR   4   6.310  -3.013  -7.215
   41    H    SER   5           H        SER   5   5.417  -2.842  -1.446
   42    HA   SER   5           HA       SER   5   5.408  -1.934   1.328
   43    HB2  SER   5           HB2      SER   5   7.529  -1.066  -0.584
   44    HB3  SER   5           HB3      SER   5   6.835   0.159   0.474
   45    HG   SER   5           HG       SER   5   7.410  -2.222   1.716
   46    H    CYS   6           H        CYS   6   4.579   0.388   1.417
   47    HA   CYS   6           HA       CYS   6   2.207   0.666  -0.089
   48    HB2  CYS   6           HB2      CYS   6   3.301   1.996   2.032
   49    HB3  CYS   6           HB3      CYS   6   3.475   3.201   0.756
   50    H    SER   7           H        SER   7   5.434   1.182  -1.080
   51    HA   SER   7           HA       SER   7   6.356   2.284  -2.956
   52    HB2  SER   7           HB2      SER   7   3.936   1.867  -4.577
   53    HB3  SER   7           HB3      SER   7   5.574   1.271  -4.831
   54    HG   SER   7           HG       SER   7   3.611  -0.167  -4.109
   55    H    VAL   8           H        VAL   8   4.110   3.682  -1.198
   56    HA   VAL   8           HA       VAL   8   4.089   6.133  -2.867
   57    HB   VAL   8           HB       VAL   8   1.744   4.487  -2.197
   58   HG11  VAL   8          HG11      VAL   8   0.327   6.598  -1.870
   59   HG12  VAL   8          HG12      VAL   8   1.836   7.426  -1.486
   60   HG13  VAL   8          HG13      VAL   8   1.288   6.081  -0.485
   61   HG21  VAL   8          HG21      VAL   8   2.522   5.283  -4.478
   62   HG22  VAL   8          HG22      VAL   8   2.022   6.905  -4.000
   63   HG23  VAL   8          HG23      VAL   8   0.828   5.612  -4.115
   64    H    CYS   9           H        CYS   9   2.882   4.809   0.235
   65    HA   CYS   9           HA       CYS   9   3.433   7.354   1.583
   66    HB2  CYS   9           HB2      CYS   9   2.477   4.659   2.589
   67    HB3  CYS   9           HB3      CYS   9   2.681   6.075   3.622
   68    H    GLY  10           H        GLY  10   4.702   4.013   1.761
   69    HA2  GLY  10           HA2      GLY  10   7.237   3.901   1.818
   70    HA3  GLY  10           HA3      GLY  10   7.147   5.155   3.057
   71    H    LYS  11           H        LYS  11   5.033   2.318   2.734
   72    HA   LYS  11           HA       LYS  11   6.033   1.431   5.410
   73    HB2  LYS  11           HB2      LYS  11   3.302   1.363   4.140
   74    HB3  LYS  11           HB3      LYS  11   3.717   0.227   5.423
   75    HG2  LYS  11           HG2      LYS  11   2.938   1.937   6.744
   76    HG3  LYS  11           HG3      LYS  11   4.601   2.497   6.571
   77    HD2  LYS  11           HD2      LYS  11   3.666   3.647   4.387
   78    HD3  LYS  11           HD3      LYS  11   2.117   3.492   5.216
   79    HE2  LYS  11           HE2      LYS  11   2.679   5.442   6.231
   80    HE3  LYS  11           HE3      LYS  11   3.749   4.446   7.219
   81    HZ1  LYS  11           HZ1      LYS  11   4.512   5.727   4.651
   82    HZ2  LYS  11           HZ2      LYS  11   5.534   4.843   5.677
   83    HZ3  LYS  11           HZ3      LYS  11   4.899   6.331   6.191
   84    H    ARG  12           H        ARG  12   5.388  -1.084   5.633
   85    HA   ARG  12           HA       ARG  12   6.458  -2.407   3.172
   86    HB2  ARG  12           HB2      ARG  12   7.023  -4.232   5.026
   87    HB3  ARG  12           HB3      ARG  12   8.098  -2.862   4.742
   88    HG2  ARG  12           HG2      ARG  12   7.646  -3.143   7.152
   89    HG3  ARG  12           HG3      ARG  12   6.994  -1.614   6.561
   90    HD2  ARG  12           HD2      ARG  12   4.795  -2.332   6.718
   91    HD3  ARG  12           HD3      ARG  12   5.226  -4.030   6.514
   92    HE   ARG  12           HE       ARG  12   5.385  -4.164   8.854
   93   HH11  ARG  12          HH11      ARG  12   5.863  -0.939   7.733
   94   HH12  ARG  12          HH12      ARG  12   6.020  -0.268   9.321
   95   HH21  ARG  12          HH21      ARG  12   5.587  -3.305  10.936
   96   HH22  ARG  12          HH22      ARG  12   5.864  -1.609  11.135
   97    H    PHE  13           H        PHE  13   5.489  -4.409   2.555
   98    HA   PHE  13           HA       PHE  13   3.244  -5.480   4.102
   99    HB2  PHE  13           HB2      PHE  13   2.738  -4.274   1.365
  100    HB3  PHE  13           HB3      PHE  13   1.556  -5.119   2.364
  101    HD1  PHE  13           HD1      PHE  13   1.346  -4.165   4.861
  102    HD2  PHE  13           HD2      PHE  13   2.809  -1.944   1.484
  103    HE1  PHE  13           HE1      PHE  13   0.814  -2.046   6.017
  104    HE2  PHE  13           HE2      PHE  13   2.274   0.168   2.646
  105    HZ   PHE  13           HZ       PHE  13   1.281   0.109   4.905
  106    H    SER  14           H        SER  14   3.110  -7.651   3.706
  107    HA   SER  14           HA       SER  14   4.766  -8.734   1.491
  108    HB2  SER  14           HB2      SER  14   5.128  -9.662   3.749
  109    HB3  SER  14           HB3      SER  14   3.431 -10.123   3.837
  110    HG   SER  14           HG       SER  14   4.276 -11.104   1.589
  111    H    LEU  15           H        LEU  15   1.761  -7.640   1.677
  112    HA   LEU  15           HA       LEU  15   0.718  -9.770  -0.141
  113    HB2  LEU  15           HB2      LEU  15  -0.406  -8.809   2.377
  114    HB3  LEU  15           HB3      LEU  15  -1.531  -8.602   1.033
  115    HG   LEU  15           HG       LEU  15  -0.058 -11.202   1.299
  116   HD11  LEU  15          HD11      LEU  15  -2.481 -11.649   2.558
  117   HD12  LEU  15          HD12      LEU  15  -1.974 -10.099   3.229
  118   HD13  LEU  15          HD13      LEU  15  -0.923 -11.508   3.370
  119   HD21  LEU  15          HD21      LEU  15  -2.757 -10.291   0.260
  120   HD22  LEU  15          HD22      LEU  15  -2.297 -11.989   0.385
  121   HD23  LEU  15          HD23      LEU  15  -1.398 -10.910  -0.680
  122    H    LYS  16           H        LYS  16   1.154  -8.564  -2.012
  123    HA   LYS  16           HA       LYS  16   0.897  -5.832  -2.451
  124    HB2  LYS  16           HB2      LYS  16   0.508  -6.345  -4.804
  125    HB3  LYS  16           HB3      LYS  16   1.673  -7.497  -4.149
  126    HG2  LYS  16           HG2      LYS  16  -0.185  -9.116  -3.779
  127    HG3  LYS  16           HG3      LYS  16  -1.296  -7.976  -4.539
  128    HD2  LYS  16           HD2      LYS  16   0.029  -8.056  -6.616
  129    HD3  LYS  16           HD3      LYS  16   1.148  -9.191  -5.860
  130    HE2  LYS  16           HE2      LYS  16  -0.621 -10.840  -5.600
  131    HE3  LYS  16           HE3      LYS  16  -1.820  -9.697  -6.205
  132    HZ1  LYS  16           HZ1      LYS  16  -0.274 -11.455  -7.683
  133    HZ2  LYS  16           HZ2      LYS  16   0.327  -9.908  -8.027
  134    HZ3  LYS  16           HZ3      LYS  16  -1.318 -10.253  -8.272
  135    H    HIS  17           H        HIS  17  -1.708  -8.259  -2.445
  136    HA   HIS  17           HA       HIS  17  -3.810  -6.522  -3.286
  137    HB2  HIS  17           HB2      HIS  17  -3.891  -9.070  -2.993
  138    HB3  HIS  17           HB3      HIS  17  -4.137  -8.758  -1.274
  139    HD1  HIS  17           HD1      HIS  17  -6.529 -10.008  -2.036
  140    HD2  HIS  17           HD2      HIS  17  -5.952  -6.040  -3.187
  141    HE1  HIS  17           HE1      HIS  17  -8.821  -9.083  -2.599
  142    HE2  HIS  17           HE2      HIS  17  -8.481  -6.670  -3.301
  143    H    GLN  18           H        GLN  18  -2.582  -7.296  -0.022
  144    HA   GLN  18           HA       GLN  18  -4.430  -5.686   1.429
  145    HB2  GLN  18           HB2      GLN  18  -2.924  -7.271   2.552
  146    HB3  GLN  18           HB3      GLN  18  -1.527  -6.317   2.055
  147    HG2  GLN  18           HG2      GLN  18  -3.772  -5.110   3.677
  148    HG3  GLN  18           HG3      GLN  18  -2.411  -5.929   4.444
  149   HE21  GLN  18          HE21      GLN  18  -0.434  -5.058   2.418
  150   HE22  GLN  18          HE22      GLN  18  -0.187  -3.398   2.675
  151    H    MET  19           H        MET  19  -1.128  -4.888   0.300
  152    HA   MET  19           HA       MET  19  -1.232  -2.128   1.026
  153    HB2  MET  19           HB2      MET  19   0.841  -3.388   0.374
  154    HB3  MET  19           HB3      MET  19   0.276  -3.360  -1.296
  155    HG2  MET  19           HG2      MET  19   0.456  -0.792   0.252
  156    HG3  MET  19           HG3      MET  19   1.911  -1.482  -0.466
  157    HE1  MET  19           HE1      MET  19   1.283  -1.735  -4.132
  158    HE2  MET  19           HE2      MET  19   1.834  -2.584  -2.681
  159    HE3  MET  19           HE3      MET  19   2.525  -1.021  -3.108
  160    H    GLU  20           H        GLU  20  -1.926  -3.771  -2.066
  161    HA   GLU  20           HA       GLU  20  -2.642  -1.511  -3.592
  162    HB2  GLU  20           HB2      GLU  20  -2.674  -3.414  -4.890
  163    HB3  GLU  20           HB3      GLU  20  -3.370  -4.400  -3.605
  164    HG2  GLU  20           HG2      GLU  20  -5.548  -3.692  -4.053
  165    HG3  GLU  20           HG3      GLU  20  -5.009  -2.214  -4.852
  166    H    THR  21           H        THR  21  -4.457  -3.337  -1.187
  167    HA   THR  21           HA       THR  21  -6.955  -1.918  -1.619
  168    HB   THR  21           HB       THR  21  -5.883  -3.862   0.373
  169    HG1  THR  21           HG1      THR  21  -7.156  -4.837  -1.010
  170   HG21  THR  21          HG21      THR  21  -8.020  -3.422   1.746
  171   HG22  THR  21          HG22      THR  21  -8.051  -1.846   0.956
  172   HG23  THR  21          HG23      THR  21  -6.677  -2.300   1.964
  173    H    HIS  22           H        HIS  22  -4.005  -1.311   0.056
  174    HA   HIS  22           HA       HIS  22  -5.097   0.659   1.911
  175    HB2  HIS  22           HB2      HIS  22  -3.081  -0.187   2.707
  176    HB3  HIS  22           HB3      HIS  22  -2.347  -0.229   1.105
  177    HD1  HIS  22           HD1      HIS  22  -2.250   1.670   4.134
  178    HD2  HIS  22           HD2      HIS  22  -2.027   2.647   0.087
  179    HE1  HIS  22           HE1      HIS  22  -1.216   3.978   4.010
  180    H    TYR  23           H        TYR  23  -3.788   0.684  -1.342
  181    HA   TYR  23           HA       TYR  23  -3.171   3.392  -1.690
  182    HB2  TYR  23           HB2      TYR  23  -4.128   1.213  -3.464
  183    HB3  TYR  23           HB3      TYR  23  -4.348   2.855  -4.069
  184    HD1  TYR  23           HD1      TYR  23  -1.654   1.574  -1.832
  185    HD2  TYR  23           HD2      TYR  23  -2.676   3.037  -5.739
  186    HE1  TYR  23           HE1      TYR  23   0.753   1.680  -2.422
  187    HE2  TYR  23           HE2      TYR  23  -0.270   3.143  -6.329
  188    HH   TYR  23           HH       TYR  23   1.896   3.313  -5.185
  189    H    ARG  24           H        ARG  24  -6.326   1.851  -1.415
  190    HA   ARG  24           HA       ARG  24  -8.000   3.868  -2.426
  191    HB2  ARG  24           HB2      ARG  24  -9.712   3.034  -0.943
  192    HB3  ARG  24           HB3      ARG  24  -8.733   1.651  -1.429
  193    HG2  ARG  24           HG2      ARG  24  -8.486   1.226   0.777
  194    HG3  ARG  24           HG3      ARG  24  -7.408   2.621   0.814
  195    HD2  ARG  24           HD2      ARG  24  -9.018   3.058   2.502
  196    HD3  ARG  24           HD3      ARG  24  -9.531   4.039   1.130
  197    HE   ARG  24           HE       ARG  24 -11.042   1.922   0.647
  198   HH11  ARG  24          HH11      ARG  24 -10.113   3.248   3.694
  199   HH12  ARG  24          HH12      ARG  24 -11.537   2.702   4.513
  200   HH21  ARG  24          HH21      ARG  24 -12.905   1.205   1.701
  201   HH22  ARG  24          HH22      ARG  24 -13.118   1.548   3.385
  202    H    VAL  25           H        VAL  25  -5.602   4.240  -0.210
  203    HA   VAL  25           HA       VAL  25  -6.958   6.363   1.360
  204    HB   VAL  25           HB       VAL  25  -4.446   4.754   1.634
  205   HG11  VAL  25          HG11      VAL  25  -3.675   6.404   3.388
  206   HG12  VAL  25          HG12      VAL  25  -4.868   7.540   2.759
  207   HG13  VAL  25          HG13      VAL  25  -3.543   6.994   1.732
  208   HG21  VAL  25          HG21      VAL  25  -6.646   4.289   2.824
  209   HG22  VAL  25          HG22      VAL  25  -6.399   5.796   3.706
  210   HG23  VAL  25          HG23      VAL  25  -5.249   4.471   3.884
  211    H    HIS  26           H        HIS  26  -5.470   6.075  -1.549
  212    HA   HIS  26           HA       HIS  26  -4.097   8.717  -1.368
  213    HB2  HIS  26           HB2      HIS  26  -3.946   6.691  -3.615
  214    HB3  HIS  26           HB3      HIS  26  -2.889   8.079  -3.353
  215    HD1  HIS  26           HD1      HIS  26  -2.842   7.415  -0.135
  216    HD2  HIS  26           HD2      HIS  26  -1.687   4.923  -3.271
  217    HE1  HIS  26           HE1      HIS  26  -1.234   5.725   0.848
  218    H    THR  27           H        THR  27  -7.080   7.623  -2.005
  219    HA   THR  27           HA       THR  27  -7.996   8.325  -4.476
  220    HB   THR  27           HB       THR  27 -10.026   9.285  -3.380
  221    HG1  THR  27           HG1      THR  27  -8.334   9.937  -1.541
  222   HG21  THR  27          HG21      THR  27  -8.807   6.688  -2.847
  223   HG22  THR  27          HG22      THR  27 -10.474   7.077  -3.273
  224   HG23  THR  27          HG23      THR  27  -9.953   7.154  -1.591
  225    H    GLY  28           H        GLY  28  -8.846  10.390  -5.377
  226    HA2  GLY  28           HA2      GLY  28  -6.929  12.585  -4.842
  227    HA3  GLY  28           HA3      GLY  28  -7.993  12.465  -6.244
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1  12.696 -13.821   0.673
    2    H2   MET   1           H2       MET   1  14.394 -13.807   0.696
    3    H3   MET   1           H3       MET   1  13.559 -13.445  -0.738
    4    HA   MET   1           HA       MET   1  12.863 -11.767   1.510
    5    HB2  MET   1           HB2      MET   1  15.626 -11.713   0.261
    6    HB3  MET   1           HB3      MET   1  14.951 -10.405   1.233
    7    HG2  MET   1           HG2      MET   1  14.533 -12.250   3.019
    8    HG3  MET   1           HG3      MET   1  15.702 -13.193   2.093
    9    HE1  MET   1           HE1      MET   1  18.521 -12.759   2.533
   10    HE2  MET   1           HE2      MET   1  18.793 -11.130   1.923
   11    HE3  MET   1           HE3      MET   1  17.646 -12.203   1.109
   12    H    ARG   2           H        ARG   2  11.147 -11.240   0.049
   13    HA   ARG   2           HA       ARG   2  11.862  -9.207  -1.917
   14    HB2  ARG   2           HB2      ARG   2  12.066 -11.581  -3.028
   15    HB3  ARG   2           HB3      ARG   2  10.303 -11.517  -3.040
   16    HG2  ARG   2           HG2      ARG   2  10.469  -9.272  -4.176
   17    HG3  ARG   2           HG3      ARG   2  12.207  -9.537  -4.316
   18    HD2  ARG   2           HD2      ARG   2  10.167 -11.507  -5.367
   19    HD3  ARG   2           HD3      ARG   2  10.834 -10.207  -6.353
   20    HE   ARG   2           HE       ARG   2  12.959 -11.714  -5.131
   21   HH11  ARG   2          HH11      ARG   2  10.534 -11.779  -7.580
   22   HH12  ARG   2          HH12      ARG   2  11.414 -12.859  -8.610
   23   HH21  ARG   2          HH21      ARG   2  14.123 -13.122  -6.461
   24   HH22  ARG   2          HH22      ARG   2  13.447 -13.618  -7.976
   25    HA   PRO   3           HA       PRO   3   7.558  -9.267   0.085
   26    HB2  PRO   3           HB2      PRO   3   7.959  -7.252   1.893
   27    HB3  PRO   3           HB3      PRO   3   8.235  -8.964   2.264
   28    HG2  PRO   3           HG2      PRO   3  10.194  -6.832   1.594
   29    HG3  PRO   3           HG3      PRO   3  10.328  -8.171   2.747
   30    HD2  PRO   3           HD2      PRO   3  11.503  -8.192   0.259
   31    HD3  PRO   3           HD3      PRO   3  11.029  -9.664   1.135
   32    H    TYR   4           H        TYR   4   6.237  -7.022   0.494
   33    HA   TYR   4           HA       TYR   4   6.927  -5.261  -1.825
   34    HB2  TYR   4           HB2      TYR   4   4.616  -6.751  -1.422
   35    HB3  TYR   4           HB3      TYR   4   4.154  -5.131  -0.900
   36    HD1  TYR   4           HD1      TYR   4   6.037  -6.828  -3.671
   37    HD2  TYR   4           HD2      TYR   4   3.445  -3.605  -2.513
   38    HE1  TYR   4           HE1      TYR   4   5.874  -6.108  -6.039
   39    HE2  TYR   4           HE2      TYR   4   3.282  -2.885  -4.880
   40    HH   TYR   4           HH       TYR   4   3.967  -3.235  -6.958
   41    H    SER   5           H        SER   5   5.654  -3.029  -1.473
   42    HA   SER   5           HA       SER   5   5.466  -2.138   1.294
   43    HB2  SER   5           HB2      SER   5   7.746  -1.841   1.441
   44    HB3  SER   5           HB3      SER   5   7.944  -1.695  -0.302
   45    HG   SER   5           HG       SER   5   8.210   0.335   0.431
   46    H    CYS   6           H        CYS   6   4.683   0.080   1.413
   47    HA   CYS   6           HA       CYS   6   2.954   0.792  -0.767
   48    HB2  CYS   6           HB2      CYS   6   3.377   1.640   1.917
   49    HB3  CYS   6           HB3      CYS   6   3.486   3.073   0.893
   50    H    SER   7           H        SER   7   3.285   2.186  -2.476
   51    HA   SER   7           HA       SER   7   6.029   3.336  -2.718
   52    HB2  SER   7           HB2      SER   7   4.129   2.116  -4.615
   53    HB3  SER   7           HB3      SER   7   4.907   3.581  -5.207
   54    HG   SER   7           HG       SER   7   6.568   2.350  -5.546
   55    H    VAL   8           H        VAL   8   3.805   4.593  -1.213
   56    HA   VAL   8           HA       VAL   8   3.900   7.209  -2.586
   57    HB   VAL   8           HB       VAL   8   1.379   5.660  -2.016
   58   HG11  VAL   8          HG11      VAL   8   0.885   7.629  -0.820
   59   HG12  VAL   8          HG12      VAL   8   0.254   7.966  -2.432
   60   HG13  VAL   8          HG13      VAL   8   1.804   8.644  -1.932
   61   HG21  VAL   8          HG21      VAL   8   2.349   5.699  -4.306
   62   HG22  VAL   8          HG22      VAL   8   2.259   7.461  -4.298
   63   HG23  VAL   8          HG23      VAL   8   0.780   6.501  -4.246
   64    H    CYS   9           H        CYS   9   3.056   5.269   0.235
   65    HA   CYS   9           HA       CYS   9   3.383   7.711   1.925
   66    HB2  CYS   9           HB2      CYS   9   2.129   6.350   3.651
   67    HB3  CYS   9           HB3      CYS   9   1.184   6.771   2.222
   68    H    GLY  10           H        GLY  10   4.766   4.726   1.037
   69    HA2  GLY  10           HA2      GLY  10   6.850   3.844   1.736
   70    HA3  GLY  10           HA3      GLY  10   6.916   5.084   2.990
   71    H    LYS  11           H        LYS  11   6.624   1.815   2.539
   72    HA   LYS  11           HA       LYS  11   6.209   1.190   5.258
   73    HB2  LYS  11           HB2      LYS  11   3.813   2.031   4.074
   74    HB3  LYS  11           HB3      LYS  11   3.704   0.271   4.107
   75    HG2  LYS  11           HG2      LYS  11   4.474   1.960   6.501
   76    HG3  LYS  11           HG3      LYS  11   2.841   1.364   6.197
   77    HD2  LYS  11           HD2      LYS  11   3.881  -0.971   6.052
   78    HD3  LYS  11           HD3      LYS  11   5.338  -0.251   6.737
   79    HE2  LYS  11           HE2      LYS  11   4.441  -0.177   8.808
   80    HE3  LYS  11           HE3      LYS  11   2.939   0.527   8.208
   81    HZ1  LYS  11           HZ1      LYS  11   2.764  -1.747   9.231
   82    HZ2  LYS  11           HZ2      LYS  11   3.602  -2.341   7.881
   83    HZ3  LYS  11           HZ3      LYS  11   2.094  -1.586   7.678
   84    H    ARG  12           H        ARG  12   5.414  -1.252   5.434
   85    HA   ARG  12           HA       ARG  12   6.517  -2.719   3.068
   86    HB2  ARG  12           HB2      ARG  12   8.167  -3.143   4.628
   87    HB3  ARG  12           HB3      ARG  12   7.065  -2.980   5.995
   88    HG2  ARG  12           HG2      ARG  12   6.810  -5.268   4.044
   89    HG3  ARG  12           HG3      ARG  12   7.907  -5.358   5.422
   90    HD2  ARG  12           HD2      ARG  12   5.403  -4.354   6.364
   91    HD3  ARG  12           HD3      ARG  12   5.079  -5.785   5.387
   92    HE   ARG  12           HE       ARG  12   7.207  -6.521   7.029
   93   HH11  ARG  12          HH11      ARG  12   4.025  -5.248   7.401
   94   HH12  ARG  12          HH12      ARG  12   3.756  -6.007   8.933
   95   HH21  ARG  12          HH21      ARG  12   6.874  -7.521   9.030
   96   HH22  ARG  12          HH22      ARG  12   5.369  -7.294   9.856
   97    H    PHE  13           H        PHE  13   5.475  -4.696   2.537
   98    HA   PHE  13           HA       PHE  13   3.253  -5.682   4.172
   99    HB2  PHE  13           HB2      PHE  13   2.697  -4.555   1.410
  100    HB3  PHE  13           HB3      PHE  13   1.532  -5.366   2.454
  101    HD1  PHE  13           HD1      PHE  13   1.470  -4.334   4.964
  102    HD2  PHE  13           HD2      PHE  13   2.677  -2.233   1.416
  103    HE1  PHE  13           HE1      PHE  13   0.968  -2.179   6.063
  104    HE2  PHE  13           HE2      PHE  13   2.169  -0.083   2.519
  105    HZ   PHE  13           HZ       PHE  13   1.316  -0.065   4.837
  106    H    SER  14           H        SER  14   3.068  -7.866   3.830
  107    HA   SER  14           HA       SER  14   4.664  -9.026   1.612
  108    HB2  SER  14           HB2      SER  14   5.152 -10.068   3.699
  109    HB3  SER  14           HB3      SER  14   3.448 -10.171   4.132
  110    HG   SER  14           HG       SER  14   3.578 -11.428   1.899
  111    H    LEU  15           H        LEU  15   1.658  -7.885   1.904
  112    HA   LEU  15           HA       LEU  15   0.537  -9.991   0.101
  113    HB2  LEU  15           HB2      LEU  15  -0.553  -8.860   2.592
  114    HB3  LEU  15           HB3      LEU  15  -1.684  -8.824   1.238
  115    HG   LEU  15           HG       LEU  15  -0.111 -11.323   1.805
  116   HD11  LEU  15          HD11      LEU  15  -2.197 -12.036   3.133
  117   HD12  LEU  15          HD12      LEU  15  -2.566 -10.315   3.253
  118   HD13  LEU  15          HD13      LEU  15  -1.072 -10.949   3.947
  119   HD21  LEU  15          HD21      LEU  15  -2.957 -11.047   0.844
  120   HD22  LEU  15          HD22      LEU  15  -1.823 -12.368   0.565
  121   HD23  LEU  15          HD23      LEU  15  -1.607 -10.830  -0.268
  122    H    LYS  16           H        LYS  16   0.973  -8.831  -1.798
  123    HA   LYS  16           HA       LYS  16   0.799  -6.100  -2.277
  124    HB2  LYS  16           HB2      LYS  16  -0.060  -8.368  -4.097
  125    HB3  LYS  16           HB3      LYS  16   0.174  -6.702  -4.631
  126    HG2  LYS  16           HG2      LYS  16   2.496  -6.760  -4.177
  127    HG3  LYS  16           HG3      LYS  16   2.348  -8.201  -3.169
  128    HD2  LYS  16           HD2      LYS  16   2.265  -9.623  -4.971
  129    HD3  LYS  16           HD3      LYS  16   1.451  -8.442  -5.999
  130    HE2  LYS  16           HE2      LYS  16   3.626  -7.136  -6.038
  131    HE3  LYS  16           HE3      LYS  16   4.386  -8.525  -5.262
  132    HZ1  LYS  16           HZ1      LYS  16   3.059  -9.681  -7.282
  133    HZ2  LYS  16           HZ2      LYS  16   4.687  -9.214  -7.355
  134    HZ3  LYS  16           HZ3      LYS  16   3.483  -8.195  -7.987
  135    H    HIS  17           H        HIS  17  -1.915  -8.428  -2.592
  136    HA   HIS  17           HA       HIS  17  -3.939  -6.606  -3.270
  137    HB2  HIS  17           HB2      HIS  17  -3.873  -9.276  -2.614
  138    HB3  HIS  17           HB3      HIS  17  -4.754  -8.593  -1.248
  139    HD1  HIS  17           HD1      HIS  17  -6.112 -10.367  -3.487
  140    HD2  HIS  17           HD2      HIS  17  -6.151  -6.197  -3.375
  141    HE1  HIS  17           HE1      HIS  17  -8.113  -9.630  -4.859
  142    HE2  HIS  17           HE2      HIS  17  -8.144  -7.095  -4.797
  143    H    GLN  18           H        GLN  18  -2.746  -7.464  -0.014
  144    HA   GLN  18           HA       GLN  18  -4.541  -5.835   1.468
  145    HB2  GLN  18           HB2      GLN  18  -3.113  -7.429   2.610
  146    HB3  GLN  18           HB3      GLN  18  -1.663  -6.608   2.033
  147    HG2  GLN  18           HG2      GLN  18  -3.530  -4.832   3.447
  148    HG3  GLN  18           HG3      GLN  18  -2.885  -6.127   4.457
  149   HE21  GLN  18          HE21      GLN  18  -0.884  -5.123   1.787
  150   HE22  GLN  18          HE22      GLN  18   0.238  -4.233   2.698
  151    H    MET  19           H        MET  19  -1.224  -5.060   0.358
  152    HA   MET  19           HA       MET  19  -1.315  -2.308   1.134
  153    HB2  MET  19           HB2      MET  19   0.751  -3.619   0.492
  154    HB3  MET  19           HB3      MET  19   0.236  -3.477  -1.190
  155    HG2  MET  19           HG2      MET  19   0.185  -0.980  -0.892
  156    HG3  MET  19           HG3      MET  19   0.892  -1.206   0.708
  157    HE1  MET  19           HE1      MET  19   1.434  -1.948  -3.186
  158    HE2  MET  19           HE2      MET  19   2.886  -0.940  -3.258
  159    HE3  MET  19           HE3      MET  19   1.383  -0.281  -2.618
  160    H    GLU  20           H        GLU  20  -1.993  -3.914  -1.973
  161    HA   GLU  20           HA       GLU  20  -2.590  -1.643  -3.523
  162    HB2  GLU  20           HB2      GLU  20  -2.692  -3.539  -4.816
  163    HB3  GLU  20           HB3      GLU  20  -3.419  -4.499  -3.527
  164    HG2  GLU  20           HG2      GLU  20  -5.578  -3.671  -3.956
  165    HG3  GLU  20           HG3      GLU  20  -4.967  -2.278  -4.848
  166    H    THR  21           H        THR  21  -4.522  -3.351  -1.124
  167    HA   THR  21           HA       THR  21  -6.949  -1.833  -1.635
  168    HB   THR  21           HB       THR  21  -6.089  -3.962   0.151
  169    HG1  THR  21           HG1      THR  21  -8.477  -4.149   0.174
  170   HG21  THR  21          HG21      THR  21  -7.743  -1.719   1.341
  171   HG22  THR  21          HG22      THR  21  -6.172  -2.282   1.909
  172   HG23  THR  21          HG23      THR  21  -7.586  -3.327   2.049
  173    H    HIS  22           H        HIS  22  -4.012  -1.340   0.101
  174    HA   HIS  22           HA       HIS  22  -5.055   0.728   1.882
  175    HB2  HIS  22           HB2      HIS  22  -3.131  -0.196   2.783
  176    HB3  HIS  22           HB3      HIS  22  -2.350  -0.366   1.213
  177    HD1  HIS  22           HD1      HIS  22  -2.711   1.946   4.077
  178    HD2  HIS  22           HD2      HIS  22  -1.271   2.138   0.170
  179    HE1  HIS  22           HE1      HIS  22  -1.358   4.080   3.916
  180    H    TYR  23           H        TYR  23  -3.602   0.616  -1.317
  181    HA   TYR  23           HA       TYR  23  -2.841   3.292  -1.667
  182    HB2  TYR  23           HB2      TYR  23  -3.599   1.069  -3.406
  183    HB3  TYR  23           HB3      TYR  23  -4.057   2.632  -4.081
  184    HD1  TYR  23           HD1      TYR  23  -1.168   1.548  -1.949
  185    HD2  TYR  23           HD2      TYR  23  -2.464   3.288  -5.656
  186    HE1  TYR  23           HE1      TYR  23   1.194   1.975  -2.574
  187    HE2  TYR  23           HE2      TYR  23  -0.103   3.715  -6.281
  188    HH   TYR  23           HH       TYR  23   2.103   2.951  -5.758
  189    H    ARG  24           H        ARG  24  -6.080   1.870  -1.684
  190    HA   ARG  24           HA       ARG  24  -7.567   3.994  -2.763
  191    HB2  ARG  24           HB2      ARG  24  -8.403   1.721  -1.863
  192    HB3  ARG  24           HB3      ARG  24  -8.455   2.508  -0.286
  193    HG2  ARG  24           HG2      ARG  24  -9.855   4.334  -1.374
  194    HG3  ARG  24           HG3      ARG  24  -9.979   3.279  -2.783
  195    HD2  ARG  24           HD2      ARG  24 -11.880   3.126  -1.059
  196    HD3  ARG  24           HD3      ARG  24 -11.141   1.605  -1.561
  197    HE   ARG  24           HE       ARG  24  -9.973   2.830   0.848
  198   HH11  ARG  24          HH11      ARG  24 -12.220   0.640  -0.582
  199   HH12  ARG  24          HH12      ARG  24 -12.369  -0.342   0.838
  200   HH21  ARG  24          HH21      ARG  24 -10.154   1.559   2.709
  201   HH22  ARG  24          HH22      ARG  24 -11.199   0.178   2.701
  202    H    VAL  25           H        VAL  25  -5.372   4.238  -0.344
  203    HA   VAL  25           HA       VAL  25  -6.840   6.309   1.197
  204    HB   VAL  25           HB       VAL  25  -4.338   4.701   1.616
  205   HG11  VAL  25          HG11      VAL  25  -3.487   6.919   1.963
  206   HG12  VAL  25          HG12      VAL  25  -3.841   6.267   3.563
  207   HG13  VAL  25          HG13      VAL  25  -4.950   7.416   2.814
  208   HG21  VAL  25          HG21      VAL  25  -5.432   3.979   3.514
  209   HG22  VAL  25          HG22      VAL  25  -6.843   4.414   2.549
  210   HG23  VAL  25          HG23      VAL  25  -6.231   5.529   3.771
  211    H    HIS  26           H        HIS  26  -5.107   6.118  -1.580
  212    HA   HIS  26           HA       HIS  26  -3.643   8.674  -1.176
  213    HB2  HIS  26           HB2      HIS  26  -3.615   6.838  -3.588
  214    HB3  HIS  26           HB3      HIS  26  -2.478   8.136  -3.225
  215    HD1  HIS  26           HD1      HIS  26  -2.379   7.289  -0.087
  216    HD2  HIS  26           HD2      HIS  26  -1.555   4.852  -3.368
  217    HE1  HIS  26           HE1      HIS  26  -0.895   5.423   0.763
  218    H    THR  27           H        THR  27  -6.562   8.608  -1.330
  219    HA   THR  27           HA       THR  27  -7.681   9.175  -3.827
  220    HB   THR  27           HB       THR  27  -8.851   9.116  -1.557
  221    HG1  THR  27           HG1      THR  27 -10.148   9.707  -3.163
  222   HG21  THR  27          HG21      THR  27  -7.168  10.994  -0.766
  223   HG22  THR  27          HG22      THR  27  -8.823  10.966  -0.156
  224   HG23  THR  27          HG23      THR  27  -8.381  12.072  -1.456
  225    H    GLY  28           H        GLY  28  -5.815  11.351  -1.719
  226    HA2  GLY  28           HA2      GLY  28  -4.766  13.392  -2.206
  227    HA3  GLY  28           HA3      GLY  28  -4.787  12.880  -3.894
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1  13.494  -6.241  -1.618
    2    H2   MET   1           H2       MET   1  13.169  -7.080  -0.177
    3    H3   MET   1           H3       MET   1  11.971  -6.948  -1.374
    4    HA   MET   1           HA       MET   1  13.804  -8.112  -2.836
    5    HB2  MET   1           HB2      MET   1  14.339  -9.008   0.014
    6    HB3  MET   1           HB3      MET   1  14.962  -9.812  -1.427
    7    HG2  MET   1           HG2      MET   1  15.442  -6.871  -0.981
    8    HG3  MET   1           HG3      MET   1  16.490  -8.079  -0.237
    9    HE1  MET   1           HE1      MET   1  15.927  -5.871  -3.151
   10    HE2  MET   1           HE2      MET   1  17.491  -6.200  -3.893
   11    HE3  MET   1           HE3      MET   1  17.388  -5.824  -2.167
   12    H    ARG   2           H        ARG   2  12.393  -9.544   0.125
   13    HA   ARG   2           HA       ARG   2  10.815 -11.364  -1.602
   14    HB2  ARG   2           HB2      ARG   2  12.086 -11.604   0.934
   15    HB3  ARG   2           HB3      ARG   2  10.353 -11.792   1.198
   16    HG2  ARG   2           HG2      ARG   2  10.206 -13.590  -0.362
   17    HG3  ARG   2           HG3      ARG   2  11.813 -13.255  -1.007
   18    HD2  ARG   2           HD2      ARG   2  12.802 -14.508   0.585
   19    HD3  ARG   2           HD3      ARG   2  11.897 -13.702   1.867
   20    HE   ARG   2           HE       ARG   2  11.160 -16.226   0.557
   21   HH11  ARG   2          HH11      ARG   2  10.229 -13.485   2.429
   22   HH12  ARG   2          HH12      ARG   2   8.851 -14.264   3.130
   23   HH21  ARG   2          HH21      ARG   2   9.366 -17.261   1.463
   24   HH22  ARG   2          HH22      ARG   2   8.362 -16.402   2.583
   25    HA   PRO   3           HA       PRO   3   7.396  -9.214   0.972
   26    HB2  PRO   3           HB2      PRO   3   8.061  -7.094   2.540
   27    HB3  PRO   3           HB3      PRO   3   8.165  -8.772   3.102
   28    HG2  PRO   3           HG2      PRO   3  10.319  -6.936   2.217
   29    HG3  PRO   3           HG3      PRO   3  10.340  -8.188   3.470
   30    HD2  PRO   3           HD2      PRO   3  11.402  -8.479   0.912
   31    HD3  PRO   3           HD3      PRO   3  10.963  -9.821   1.989
   32    H    TYR   4           H        TYR   4   6.105  -7.188   0.667
   33    HA   TYR   4           HA       TYR   4   7.246  -5.547  -1.554
   34    HB2  TYR   4           HB2      TYR   4   4.959  -7.003  -1.593
   35    HB3  TYR   4           HB3      TYR   4   4.331  -5.466  -0.997
   36    HD1  TYR   4           HD1      TYR   4   6.235  -7.071  -3.757
   37    HD2  TYR   4           HD2      TYR   4   4.175  -3.549  -2.415
   38    HE1  TYR   4           HE1      TYR   4   6.340  -6.136  -6.051
   39    HE2  TYR   4           HE2      TYR   4   4.280  -2.613  -4.709
   40    HH   TYR   4           HH       TYR   4   4.784  -3.037  -6.843
   41    H    SER   5           H        SER   5   5.774  -3.321  -1.542
   42    HA   SER   5           HA       SER   5   5.345  -2.246   1.134
   43    HB2  SER   5           HB2      SER   5   7.571  -1.775   1.422
   44    HB3  SER   5           HB3      SER   5   7.907  -1.814  -0.306
   45    HG   SER   5           HG       SER   5   7.549   0.296   1.224
   46    H    CYS   6           H        CYS   6   4.686   0.093   0.994
   47    HA   CYS   6           HA       CYS   6   3.015   0.494  -1.367
   48    HB2  CYS   6           HB2      CYS   6   2.148   1.187   0.789
   49    HB3  CYS   6           HB3      CYS   6   3.548   2.225   1.064
   50    H    SER   7           H        SER   7   3.090   2.636  -2.555
   51    HA   SER   7           HA       SER   7   5.920   3.557  -2.871
   52    HB2  SER   7           HB2      SER   7   4.370   2.223  -4.771
   53    HB3  SER   7           HB3      SER   7   4.247   3.916  -5.236
   54    HG   SER   7           HG       SER   7   6.212   2.347  -5.767
   55    H    VAL   8           H        VAL   8   3.560   4.625  -1.297
   56    HA   VAL   8           HA       VAL   8   3.750   7.396  -2.342
   57    HB   VAL   8           HB       VAL   8   1.263   5.761  -2.085
   58   HG11  VAL   8          HG11      VAL   8   0.755   7.345  -0.387
   59   HG12  VAL   8          HG12      VAL   8   0.009   7.996  -1.846
   60   HG13  VAL   8          HG13      VAL   8   1.538   8.657  -1.267
   61   HG21  VAL   8          HG21      VAL   8   2.015   8.151  -3.798
   62   HG22  VAL   8          HG22      VAL   8   0.616   7.100  -4.023
   63   HG23  VAL   8          HG23      VAL   8   2.244   6.467  -4.273
   64    H    CYS   9           H        CYS   9   2.780   5.192   0.250
   65    HA   CYS   9           HA       CYS   9   2.997   7.417   2.211
   66    HB2  CYS   9           HB2      CYS   9   2.092   5.666   3.805
   67    HB3  CYS   9           HB3      CYS   9   1.006   6.090   2.482
   68    H    GLY  10           H        GLY  10   4.481   4.364   1.266
   69    HA2  GLY  10           HA2      GLY  10   6.768   3.789   1.664
   70    HA3  GLY  10           HA3      GLY  10   6.858   5.079   2.863
   71    H    LYS  11           H        LYS  11   5.638   1.800   2.304
   72    HA   LYS  11           HA       LYS  11   6.080   1.204   5.158
   73    HB2  LYS  11           HB2      LYS  11   3.378   1.177   3.824
   74    HB3  LYS  11           HB3      LYS  11   3.728   0.079   5.159
   75    HG2  LYS  11           HG2      LYS  11   3.147   1.785   6.523
   76    HG3  LYS  11           HG3      LYS  11   4.687   2.519   6.075
   77    HD2  LYS  11           HD2      LYS  11   3.646   3.741   4.259
   78    HD3  LYS  11           HD3      LYS  11   2.115   2.904   4.521
   79    HE2  LYS  11           HE2      LYS  11   3.079   5.285   5.799
   80    HE3  LYS  11           HE3      LYS  11   1.525   4.480   6.012
   81    HZ1  LYS  11           HZ1      LYS  11   3.017   4.711   8.040
   82    HZ2  LYS  11           HZ2      LYS  11   3.972   3.494   7.343
   83    HZ3  LYS  11           HZ3      LYS  11   2.350   3.177   7.739
   84    H    ARG  12           H        ARG  12   5.341  -1.284   5.437
   85    HA   ARG  12           HA       ARG  12   6.336  -2.722   3.007
   86    HB2  ARG  12           HB2      ARG  12   8.070  -2.928   4.604
   87    HB3  ARG  12           HB3      ARG  12   6.933  -3.141   5.935
   88    HG2  ARG  12           HG2      ARG  12   7.077  -5.115   3.655
   89    HG3  ARG  12           HG3      ARG  12   8.131  -5.253   5.062
   90    HD2  ARG  12           HD2      ARG  12   5.563  -4.810   6.115
   91    HD3  ARG  12           HD3      ARG  12   5.330  -5.963   4.802
   92    HE   ARG  12           HE       ARG  12   6.443  -7.569   6.116
   93   HH11  ARG  12          HH11      ARG  12   7.161  -4.354   7.134
   94   HH12  ARG  12          HH12      ARG  12   8.093  -4.855   8.506
   95   HH21  ARG  12          HH21      ARG  12   7.655  -8.242   7.901
   96   HH22  ARG  12          HH22      ARG  12   8.372  -7.056   8.940
   97    H    PHE  13           H        PHE  13   5.276  -4.662   2.474
   98    HA   PHE  13           HA       PHE  13   3.215  -5.751   4.258
   99    HB2  PHE  13           HB2      PHE  13   2.401  -4.693   1.539
  100    HB3  PHE  13           HB3      PHE  13   1.351  -5.412   2.759
  101    HD1  PHE  13           HD1      PHE  13   1.381  -4.247   5.128
  102    HD2  PHE  13           HD2      PHE  13   2.653  -2.368   1.479
  103    HE1  PHE  13           HE1      PHE  13   1.052  -2.021   6.154
  104    HE2  PHE  13           HE2      PHE  13   2.319  -0.148   2.508
  105    HZ   PHE  13           HZ       PHE  13   1.523   0.016   4.840
  106    H    SER  14           H        SER  14   3.071  -7.932   3.909
  107    HA   SER  14           HA       SER  14   4.627  -9.062   1.668
  108    HB2  SER  14           HB2      SER  14   3.148 -10.856   3.512
  109    HB3  SER  14           HB3      SER  14   4.811 -10.956   2.941
  110    HG   SER  14           HG       SER  14   3.771  -9.765   5.180
  111    H    LEU  15           H        LEU  15   1.537  -7.987   2.053
  112    HA   LEU  15           HA       LEU  15   0.485 -10.016   0.120
  113    HB2  LEU  15           HB2      LEU  15  -0.647  -8.943   2.596
  114    HB3  LEU  15           HB3      LEU  15  -1.735  -8.754   1.222
  115    HG   LEU  15           HG       LEU  15  -0.339 -11.379   1.644
  116   HD11  LEU  15          HD11      LEU  15  -1.427 -10.673   3.815
  117   HD12  LEU  15          HD12      LEU  15  -2.093 -12.147   3.112
  118   HD13  LEU  15          HD13      LEU  15  -2.965 -10.621   2.953
  119   HD21  LEU  15          HD21      LEU  15  -1.667 -10.854  -0.425
  120   HD22  LEU  15          HD22      LEU  15  -3.093 -10.658   0.595
  121   HD23  LEU  15          HD23      LEU  15  -2.298 -12.228   0.481
  122    H    LYS  16           H        LYS  16   0.961  -8.885  -1.774
  123    HA   LYS  16           HA       LYS  16   0.897  -6.153  -2.267
  124    HB2  LYS  16           HB2      LYS  16   0.049  -8.446  -4.052
  125    HB3  LYS  16           HB3      LYS  16   0.187  -6.784  -4.630
  126    HG2  LYS  16           HG2      LYS  16   2.518  -6.711  -4.218
  127    HG3  LYS  16           HG3      LYS  16   2.463  -8.139  -3.183
  128    HD2  LYS  16           HD2      LYS  16   1.400  -8.874  -5.728
  129    HD3  LYS  16           HD3      LYS  16   2.919  -8.020  -6.006
  130    HE2  LYS  16           HE2      LYS  16   2.449 -10.489  -4.327
  131    HE3  LYS  16           HE3      LYS  16   3.541 -10.295  -5.700
  132    HZ1  LYS  16           HZ1      LYS  16   4.123  -9.926  -3.017
  133    HZ2  LYS  16           HZ2      LYS  16   4.135  -8.379  -3.714
  134    HZ3  LYS  16           HZ3      LYS  16   5.129  -9.602  -4.347
  135    H    HIS  17           H        HIS  17  -1.878  -8.383  -2.217
  136    HA   HIS  17           HA       HIS  17  -3.853  -6.527  -3.092
  137    HB2  HIS  17           HB2      HIS  17  -4.508  -8.812  -2.950
  138    HB3  HIS  17           HB3      HIS  17  -3.980  -8.939  -1.272
  139    HD1  HIS  17           HD1      HIS  17  -5.905  -8.929   0.300
  140    HD2  HIS  17           HD2      HIS  17  -6.666  -6.564  -3.052
  141    HE1  HIS  17           HE1      HIS  17  -8.228  -7.965   0.614
  142    HE2  HIS  17           HE2      HIS  17  -8.700  -6.526  -1.421
  143    H    GLN  18           H        GLN  18  -2.658  -7.269   0.193
  144    HA   GLN  18           HA       GLN  18  -4.374  -5.509   1.610
  145    HB2  GLN  18           HB2      GLN  18  -2.879  -7.148   2.717
  146    HB3  GLN  18           HB3      GLN  18  -1.480  -6.192   2.223
  147    HG2  GLN  18           HG2      GLN  18  -3.486  -4.550   3.553
  148    HG3  GLN  18           HG3      GLN  18  -2.941  -5.875   4.583
  149   HE21  GLN  18          HE21      GLN  18  -1.335  -3.661   2.211
  150   HE22  GLN  18          HE22      GLN  18  -0.041  -3.272   3.239
  151    H    MET  19           H        MET  19  -1.059  -4.894   0.396
  152    HA   MET  19           HA       MET  19  -1.031  -2.111   1.029
  153    HB2  MET  19           HB2      MET  19   0.992  -3.398   0.415
  154    HB3  MET  19           HB3      MET  19   0.376  -3.566  -1.228
  155    HG2  MET  19           HG2      MET  19   0.200  -0.920  -1.071
  156    HG3  MET  19           HG3      MET  19   1.451  -1.137   0.153
  157    HE1  MET  19           HE1      MET  19   1.831  -1.106  -4.286
  158    HE2  MET  19           HE2      MET  19   0.924  -0.110  -3.139
  159    HE3  MET  19           HE3      MET  19   0.365  -1.734  -3.537
  160    H    GLU  20           H        GLU  20  -1.827  -3.802  -2.012
  161    HA   GLU  20           HA       GLU  20  -2.487  -1.555  -3.579
  162    HB2  GLU  20           HB2      GLU  20  -2.602  -3.466  -4.849
  163    HB3  GLU  20           HB3      GLU  20  -3.275  -4.423  -3.528
  164    HG2  GLU  20           HG2      GLU  20  -5.458  -3.634  -3.901
  165    HG3  GLU  20           HG3      GLU  20  -4.896  -2.236  -4.816
  166    H    THR  21           H        THR  21  -4.346  -3.298  -1.145
  167    HA   THR  21           HA       THR  21  -6.800  -1.809  -1.585
  168    HB   THR  21           HB       THR  21  -5.771  -3.705   0.496
  169    HG1  THR  21           HG1      THR  21  -6.945  -4.347  -1.393
  170   HG21  THR  21          HG21      THR  21  -7.970  -3.275   1.738
  171   HG22  THR  21          HG22      THR  21  -8.046  -1.751   0.854
  172   HG23  THR  21          HG23      THR  21  -6.701  -2.068   1.950
  173    H    HIS  22           H        HIS  22  -3.832  -1.271   0.088
  174    HA   HIS  22           HA       HIS  22  -4.874   0.761   1.910
  175    HB2  HIS  22           HB2      HIS  22  -2.898  -0.155   2.735
  176    HB3  HIS  22           HB3      HIS  22  -2.149  -0.235   1.142
  177    HD1  HIS  22           HD1      HIS  22  -2.456   1.909   4.117
  178    HD2  HIS  22           HD2      HIS  22  -1.278   2.392   0.148
  179    HE1  HIS  22           HE1      HIS  22  -1.223   4.119   4.000
  180    H    TYR  23           H        TYR  23  -3.479   0.702  -1.317
  181    HA   TYR  23           HA       TYR  23  -2.806   3.400  -1.676
  182    HB2  TYR  23           HB2      TYR  23  -3.506   1.152  -3.400
  183    HB3  TYR  23           HB3      TYR  23  -4.047   2.691  -4.070
  184    HD1  TYR  23           HD1      TYR  23  -1.061   1.649  -2.042
  185    HD2  TYR  23           HD2      TYR  23  -2.520   3.503  -5.632
  186    HE1  TYR  23           HE1      TYR  23   1.266   2.175  -2.718
  187    HE2  TYR  23           HE2      TYR  23  -0.193   4.029  -6.306
  188    HH   TYR  23           HH       TYR  23   2.043   4.375  -5.071
  189    H    ARG  24           H        ARG  24  -6.002   1.864  -1.723
  190    HA   ARG  24           HA       ARG  24  -7.588   3.920  -2.748
  191    HB2  ARG  24           HB2      ARG  24  -8.196   2.239  -0.292
  192    HB3  ARG  24           HB3      ARG  24  -9.384   3.099  -1.272
  193    HG2  ARG  24           HG2      ARG  24  -7.782   1.511  -3.026
  194    HG3  ARG  24           HG3      ARG  24  -8.316   0.483  -1.696
  195    HD2  ARG  24           HD2      ARG  24 -10.113   2.233  -3.399
  196    HD3  ARG  24           HD3      ARG  24  -9.970   0.481  -3.527
  197    HE   ARG  24           HE       ARG  24 -10.681   0.706  -0.937
  198   HH11  ARG  24          HH11      ARG  24 -11.774   2.343  -3.767
  199   HH12  ARG  24          HH12      ARG  24 -13.378   2.593  -3.165
  200   HH21  ARG  24          HH21      ARG  24 -12.771   1.025  -0.132
  201   HH22  ARG  24          HH22      ARG  24 -13.942   1.848  -1.107
  202    H    VAL  25           H        VAL  25  -5.404   4.169  -0.257
  203    HA   VAL  25           HA       VAL  25  -6.876   6.299   1.190
  204    HB   VAL  25           HB       VAL  25  -4.342   4.739   1.680
  205   HG11  VAL  25          HG11      VAL  25  -5.140   7.418   2.822
  206   HG12  VAL  25          HG12      VAL  25  -3.567   6.909   2.207
  207   HG13  VAL  25          HG13      VAL  25  -4.151   6.292   3.752
  208   HG21  VAL  25          HG21      VAL  25  -6.040   5.201   3.960
  209   HG22  VAL  25          HG22      VAL  25  -5.675   3.676   3.153
  210   HG23  VAL  25          HG23      VAL  25  -7.032   4.660   2.606
  211    H    HIS  26           H        HIS  26  -5.295   6.144  -1.602
  212    HA   HIS  26           HA       HIS  26  -3.706   8.633  -1.193
  213    HB2  HIS  26           HB2      HIS  26  -3.732   6.705  -3.535
  214    HB3  HIS  26           HB3      HIS  26  -2.641   8.075  -3.333
  215    HD1  HIS  26           HD1      HIS  26  -2.568   7.285  -0.082
  216    HD2  HIS  26           HD2      HIS  26  -1.340   5.022  -3.361
  217    HE1  HIS  26           HE1      HIS  26  -0.890   5.604   0.797
  218    H    THR  27           H        THR  27  -5.814   7.206  -3.722
  219    HA   THR  27           HA       THR  27  -6.619   9.957  -4.497
  220    HB   THR  27           HB       THR  27  -5.919   8.340  -6.265
  221    HG1  THR  27           HG1      THR  27  -8.606   8.605  -6.780
  222   HG21  THR  27          HG21      THR  27  -8.443   6.862  -5.473
  223   HG22  THR  27          HG22      THR  27  -6.807   6.316  -5.103
  224   HG23  THR  27          HG23      THR  27  -7.340   6.431  -6.780
  225    H    GLY  28           H        GLY  28  -7.558   8.471  -2.019
  226    HA2  GLY  28           HA2      GLY  28  -9.575   8.143  -0.863
  227    HA3  GLY  28           HA3      GLY  28 -10.220   9.389  -1.932
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1   6.533 -14.369   1.915
    2    H2   MET   1           H2       MET   1   7.540 -14.349   3.283
    3    H3   MET   1           H3       MET   1   7.299 -15.794   2.422
    4    HA   MET   1           HA       MET   1   9.359 -14.026   2.078
    5    HB2  MET   1           HB2      MET   1   8.269 -16.124   0.175
    6    HB3  MET   1           HB3      MET   1   9.913 -15.483   0.166
    7    HG2  MET   1           HG2      MET   1  10.413 -16.453   2.283
    8    HG3  MET   1           HG3      MET   1   8.713 -16.788   2.614
    9    HE1  MET   1           HE1      MET   1  10.695 -19.947   2.534
   10    HE2  MET   1           HE2      MET   1   8.943 -19.961   2.722
   11    HE3  MET   1           HE3      MET   1   9.902 -18.657   3.435
   12    H    ARG   2           H        ARG   2  10.015 -13.227  -0.240
   13    HA   ARG   2           HA       ARG   2   9.649 -11.467  -1.765
   14    HB2  ARG   2           HB2      ARG   2   7.364 -13.387  -2.190
   15    HB3  ARG   2           HB3      ARG   2   7.508 -11.926  -3.167
   16    HG2  ARG   2           HG2      ARG   2   9.571 -12.600  -4.092
   17    HG3  ARG   2           HG3      ARG   2   9.846 -13.800  -2.828
   18    HD2  ARG   2           HD2      ARG   2   8.312 -15.310  -3.744
   19    HD3  ARG   2           HD3      ARG   2   7.452 -14.051  -4.629
   20    HE   ARG   2           HE       ARG   2   9.924 -15.398  -5.502
   21   HH11  ARG   2          HH11      ARG   2   7.676 -12.801  -5.810
   22   HH12  ARG   2          HH12      ARG   2   8.129 -12.427  -7.440
   23   HH21  ARG   2          HH21      ARG   2  10.528 -14.923  -7.628
   24   HH22  ARG   2          HH22      ARG   2   9.745 -13.627  -8.468
   25    HA   PRO   3           HA       PRO   3   6.559  -9.415   1.104
   26    HB2  PRO   3           HB2      PRO   3   8.284  -7.569   2.143
   27    HB3  PRO   3           HB3      PRO   3   8.052  -9.182   2.842
   28    HG2  PRO   3           HG2      PRO   3  10.245  -8.165   1.115
   29    HG3  PRO   3           HG3      PRO   3  10.310  -9.291   2.480
   30    HD2  PRO   3           HD2      PRO   3  10.392 -10.087  -0.158
   31    HD3  PRO   3           HD3      PRO   3   9.806 -11.116   1.167
   32    H    TYR   4           H        TYR   4   6.117  -6.927   1.171
   33    HA   TYR   4           HA       TYR   4   7.024  -5.605  -1.342
   34    HB2  TYR   4           HB2      TYR   4   4.494  -6.756  -1.043
   35    HB3  TYR   4           HB3      TYR   4   4.229  -5.038  -0.743
   36    HD1  TYR   4           HD1      TYR   4   5.557  -7.503  -3.180
   37    HD2  TYR   4           HD2      TYR   4   4.436  -3.412  -2.495
   38    HE1  TYR   4           HE1      TYR   4   5.718  -7.052  -5.613
   39    HE2  TYR   4           HE2      TYR   4   4.597  -2.962  -4.930
   40    HH   TYR   4           HH       TYR   4   4.758  -5.405  -7.244
   41    H    SER   5           H        SER   5   5.674  -3.255  -1.174
   42    HA   SER   5           HA       SER   5   5.616  -2.188   1.534
   43    HB2  SER   5           HB2      SER   5   7.500  -0.461   0.730
   44    HB3  SER   5           HB3      SER   5   7.909  -1.952   1.574
   45    HG   SER   5           HG       SER   5   7.625  -1.920  -1.227
   46    H    CYS   6           H        CYS   6   4.798  -0.005   1.553
   47    HA   CYS   6           HA       CYS   6   3.006   0.626  -0.572
   48    HB2  CYS   6           HB2      CYS   6   3.683   1.708   1.988
   49    HB3  CYS   6           HB3      CYS   6   3.686   3.026   0.818
   50    H    SER   7           H        SER   7   3.141   2.247  -2.210
   51    HA   SER   7           HA       SER   7   5.939   3.114  -2.825
   52    HB2  SER   7           HB2      SER   7   5.684   2.205  -4.868
   53    HB3  SER   7           HB3      SER   7   4.098   1.607  -4.387
   54    HG   SER   7           HG       SER   7   4.770   3.685  -6.008
   55    H    VAL   8           H        VAL   8   3.323   4.345  -1.489
   56    HA   VAL   8           HA       VAL   8   3.630   6.959  -2.904
   57    HB   VAL   8           HB       VAL   8   1.110   5.516  -2.102
   58   HG11  VAL   8          HG11      VAL   8  -0.030   7.772  -2.511
   59   HG12  VAL   8          HG12      VAL   8   1.564   8.499  -2.305
   60   HG13  VAL   8          HG13      VAL   8   0.827   7.602  -0.978
   61   HG21  VAL   8          HG21      VAL   8   0.870   5.410  -4.339
   62   HG22  VAL   8          HG22      VAL   8   2.420   6.226  -4.538
   63   HG23  VAL   8          HG23      VAL   8   0.933   7.169  -4.439
   64    H    CYS   9           H        CYS   9   3.190   5.172   0.061
   65    HA   CYS   9           HA       CYS   9   3.573   7.722   1.577
   66    HB2  CYS   9           HB2      CYS   9   2.353   6.587   3.446
   67    HB3  CYS   9           HB3      CYS   9   1.349   6.836   2.016
   68    H    GLY  10           H        GLY  10   4.729   4.570   0.867
   69    HA2  GLY  10           HA2      GLY  10   6.841   3.672   1.480
   70    HA3  GLY  10           HA3      GLY  10   7.035   4.994   2.633
   71    H    LYS  11           H        LYS  11   6.644   1.724   2.466
   72    HA   LYS  11           HA       LYS  11   6.339   1.334   5.245
   73    HB2  LYS  11           HB2      LYS  11   3.907   2.105   4.102
   74    HB3  LYS  11           HB3      LYS  11   3.783   0.352   4.256
   75    HG2  LYS  11           HG2      LYS  11   4.730   2.123   6.518
   76    HG3  LYS  11           HG3      LYS  11   3.034   1.691   6.294
   77    HD2  LYS  11           HD2      LYS  11   3.882  -0.755   6.200
   78    HD3  LYS  11           HD3      LYS  11   5.363  -0.117   6.915
   79    HE2  LYS  11           HE2      LYS  11   2.601  -0.241   8.083
   80    HE3  LYS  11           HE3      LYS  11   4.144  -0.670   8.823
   81    HZ1  LYS  11           HZ1      LYS  11   2.848   1.623   9.275
   82    HZ2  LYS  11           HZ2      LYS  11   3.891   2.099   8.024
   83    HZ3  LYS  11           HZ3      LYS  11   4.527   1.430   9.451
   84    H    ARG  12           H        ARG  12   5.394  -1.092   5.592
   85    HA   ARG  12           HA       ARG  12   6.604  -2.735   3.403
   86    HB2  ARG  12           HB2      ARG  12   8.046  -3.286   5.084
   87    HB3  ARG  12           HB3      ARG  12   6.927  -2.773   6.345
   88    HG2  ARG  12           HG2      ARG  12   6.430  -5.270   4.723
   89    HG3  ARG  12           HG3      ARG  12   7.431  -5.298   6.174
   90    HD2  ARG  12           HD2      ARG  12   5.060  -3.833   6.787
   91    HD3  ARG  12           HD3      ARG  12   4.575  -5.333   5.997
   92    HE   ARG  12           HE       ARG  12   5.988  -5.116   8.584
   93   HH11  ARG  12          HH11      ARG  12   4.850  -7.011   5.938
   94   HH12  ARG  12          HH12      ARG  12   4.895  -8.504   6.816
   95   HH21  ARG  12          HH21      ARG  12   6.053  -7.053   9.745
   96   HH22  ARG  12          HH22      ARG  12   5.576  -8.527   8.972
   97    H    PHE  13           H        PHE  13   5.502  -4.629   2.794
   98    HA   PHE  13           HA       PHE  13   3.090  -5.485   4.220
   99    HB2  PHE  13           HB2      PHE  13   2.873  -4.345   1.415
  100    HB3  PHE  13           HB3      PHE  13   1.571  -5.126   2.313
  101    HD1  PHE  13           HD1      PHE  13   1.357  -4.115   4.857
  102    HD2  PHE  13           HD2      PHE  13   2.834  -2.022   1.406
  103    HE1  PHE  13           HE1      PHE  13   0.810  -1.956   5.926
  104    HE2  PHE  13           HE2      PHE  13   2.281   0.130   2.479
  105    HZ   PHE  13           HZ       PHE  13   1.272   0.156   4.733
  106    H    SER  14           H        SER  14   2.791  -7.661   3.849
  107    HA   SER  14           HA       SER  14   4.523  -8.904   1.766
  108    HB2  SER  14           HB2      SER  14   3.849  -9.603   4.462
  109    HB3  SER  14           HB3      SER  14   3.238 -10.866   3.396
  110    HG   SER  14           HG       SER  14   5.807  -9.834   2.963
  111    H    LEU  15           H        LEU  15   1.664  -7.630   1.651
  112    HA   LEU  15           HA       LEU  15   0.558  -9.800  -0.058
  113    HB2  LEU  15           HB2      LEU  15  -0.682  -8.596   2.354
  114    HB3  LEU  15           HB3      LEU  15  -1.735  -8.751   0.948
  115    HG   LEU  15           HG       LEU  15  -0.041 -11.106   1.597
  116   HD11  LEU  15          HD11      LEU  15  -1.770 -11.858   3.278
  117   HD12  LEU  15          HD12      LEU  15  -2.393 -10.208   3.283
  118   HD13  LEU  15          HD13      LEU  15  -0.749 -10.531   3.834
  119   HD21  LEU  15          HD21      LEU  15  -2.996 -11.127   1.107
  120   HD22  LEU  15          HD22      LEU  15  -1.764 -12.262   0.556
  121   HD23  LEU  15          HD23      LEU  15  -1.931 -10.690  -0.228
  122    H    LYS  16           H        LYS  16   1.088  -8.618  -1.925
  123    HA   LYS  16           HA       LYS  16   0.880  -5.891  -2.404
  124    HB2  LYS  16           HB2      LYS  16   0.738  -8.315  -4.063
  125    HB3  LYS  16           HB3      LYS  16  -0.099  -6.930  -4.764
  126    HG2  LYS  16           HG2      LYS  16   2.019  -5.581  -4.208
  127    HG3  LYS  16           HG3      LYS  16   2.804  -7.140  -3.953
  128    HD2  LYS  16           HD2      LYS  16   3.189  -7.165  -6.177
  129    HD3  LYS  16           HD3      LYS  16   1.462  -7.465  -6.370
  130    HE2  LYS  16           HE2      LYS  16   2.900  -4.807  -6.445
  131    HE3  LYS  16           HE3      LYS  16   1.935  -5.551  -7.718
  132    HZ1  LYS  16           HZ1      LYS  16   0.975  -4.467  -5.132
  133    HZ2  LYS  16           HZ2      LYS  16   0.009  -5.402  -6.164
  134    HZ3  LYS  16           HZ3      LYS  16   0.607  -3.901  -6.691
  135    H    HIS  17           H        HIS  17  -1.765  -8.287  -2.647
  136    HA   HIS  17           HA       HIS  17  -3.807  -6.503  -3.475
  137    HB2  HIS  17           HB2      HIS  17  -4.432  -8.625  -1.451
  138    HB3  HIS  17           HB3      HIS  17  -5.300  -8.196  -2.925
  139    HD1  HIS  17           HD1      HIS  17  -4.413 -11.143  -2.285
  140    HD2  HIS  17           HD2      HIS  17  -2.284  -8.490  -4.700
  141    HE1  HIS  17           HE1      HIS  17  -2.965 -12.562  -3.806
  142    HE2  HIS  17           HE2      HIS  17  -1.665 -10.957  -5.279
  143    H    GLN  18           H        GLN  18  -2.692  -7.338  -0.186
  144    HA   GLN  18           HA       GLN  18  -4.546  -5.682   1.217
  145    HB2  GLN  18           HB2      GLN  18  -3.007  -7.414   2.245
  146    HB3  GLN  18           HB3      GLN  18  -1.686  -6.262   2.046
  147    HG2  GLN  18           HG2      GLN  18  -4.219  -5.438   3.448
  148    HG3  GLN  18           HG3      GLN  18  -2.961  -6.314   4.322
  149   HE21  GLN  18          HE21      GLN  18  -1.296  -4.652   1.993
  150   HE22  GLN  18          HE22      GLN  18  -0.946  -3.230   2.849
  151    H    MET  19           H        MET  19  -1.201  -5.014   0.138
  152    HA   MET  19           HA       MET  19  -1.174  -2.270   0.942
  153    HB2  MET  19           HB2      MET  19   0.835  -3.629   0.259
  154    HB3  MET  19           HB3      MET  19   0.286  -3.499  -1.412
  155    HG2  MET  19           HG2      MET  19   0.401  -1.045  -1.272
  156    HG3  MET  19           HG3      MET  19   0.925  -1.157   0.408
  157    HE1  MET  19           HE1      MET  19   3.314  -1.375  -3.361
  158    HE2  MET  19           HE2      MET  19   1.734  -0.673  -2.984
  159    HE3  MET  19           HE3      MET  19   1.882  -2.399  -3.301
  160    H    GLU  20           H        GLU  20  -1.900  -3.795  -2.198
  161    HA   GLU  20           HA       GLU  20  -2.522  -1.458  -3.656
  162    HB2  GLU  20           HB2      GLU  20  -2.601  -3.261  -5.063
  163    HB3  GLU  20           HB3      GLU  20  -3.230  -4.334  -3.813
  164    HG2  GLU  20           HG2      GLU  20  -5.446  -3.611  -4.130
  165    HG3  GLU  20           HG3      GLU  20  -4.944  -2.138  -4.962
  166    H    THR  21           H        THR  21  -4.441  -3.361  -1.390
  167    HA   THR  21           HA       THR  21  -6.892  -1.861  -1.812
  168    HB   THR  21           HB       THR  21  -5.913  -3.899   0.148
  169    HG1  THR  21           HG1      THR  21  -7.079  -4.400  -1.775
  170   HG21  THR  21          HG21      THR  21  -8.128  -3.527   1.398
  171   HG22  THR  21          HG22      THR  21  -8.146  -1.931   0.650
  172   HG23  THR  21          HG23      THR  21  -6.826  -2.384   1.728
  173    H    HIS  22           H        HIS  22  -3.977  -1.408  -0.030
  174    HA   HIS  22           HA       HIS  22  -5.077   0.494   1.894
  175    HB2  HIS  22           HB2      HIS  22  -3.112  -0.419   2.718
  176    HB3  HIS  22           HB3      HIS  22  -2.341  -0.456   1.134
  177    HD1  HIS  22           HD1      HIS  22  -2.507   1.506   4.200
  178    HD2  HIS  22           HD2      HIS  22  -1.601   2.283   0.205
  179    HE1  HIS  22           HE1      HIS  22  -1.294   3.728   4.160
  180    H    TYR  23           H        TYR  23  -3.656   0.651  -1.313
  181    HA   TYR  23           HA       TYR  23  -2.979   3.364  -1.497
  182    HB2  TYR  23           HB2      TYR  23  -3.911   1.297  -3.418
  183    HB3  TYR  23           HB3      TYR  23  -4.062   2.972  -3.945
  184    HD1  TYR  23           HD1      TYR  23  -1.513   1.245  -1.803
  185    HD2  TYR  23           HD2      TYR  23  -2.299   3.451  -5.405
  186    HE1  TYR  23           HE1      TYR  23   0.917   1.312  -2.294
  187    HE2  TYR  23           HE2      TYR  23   0.131   3.516  -5.895
  188    HH   TYR  23           HH       TYR  23   2.187   3.155  -5.039
  189    H    ARG  24           H        ARG  24  -6.163   1.855  -1.447
  190    HA   ARG  24           HA       ARG  24  -7.756   3.973  -2.403
  191    HB2  ARG  24           HB2      ARG  24  -8.152   1.599  -0.802
  192    HB3  ARG  24           HB3      ARG  24  -9.089   2.934  -0.130
  193    HG2  ARG  24           HG2      ARG  24  -9.869   3.387  -2.534
  194    HG3  ARG  24           HG3      ARG  24  -9.204   1.801  -2.929
  195    HD2  ARG  24           HD2      ARG  24 -10.885   0.696  -1.871
  196    HD3  ARG  24           HD3      ARG  24 -10.911   1.834  -0.524
  197    HE   ARG  24           HE       ARG  24 -11.984   3.056  -2.907
  198   HH11  ARG  24          HH11      ARG  24 -12.611   0.805  -0.371
  199   HH12  ARG  24          HH12      ARG  24 -14.327   1.032  -0.415
  200   HH21  ARG  24          HH21      ARG  24 -14.221   3.366  -2.977
  201   HH22  ARG  24          HH22      ARG  24 -15.239   2.481  -1.890
  202    H    VAL  25           H        VAL  25  -5.468   4.208  -0.089
  203    HA   VAL  25           HA       VAL  25  -6.940   6.147   1.613
  204    HB   VAL  25           HB       VAL  25  -4.420   4.556   1.865
  205   HG11  VAL  25          HG11      VAL  25  -3.537   6.787   2.161
  206   HG12  VAL  25          HG12      VAL  25  -3.731   6.080   3.764
  207   HG13  VAL  25          HG13      VAL  25  -4.907   7.251   3.170
  208   HG21  VAL  25          HG21      VAL  25  -5.339   3.972   3.954
  209   HG22  VAL  25          HG22      VAL  25  -6.765   4.134   2.931
  210   HG23  VAL  25          HG23      VAL  25  -6.322   5.433   4.037
  211    H    HIS  26           H        HIS  26  -4.829   5.982  -1.064
  212    HA   HIS  26           HA       HIS  26  -3.634   8.635  -0.650
  213    HB2  HIS  26           HB2      HIS  26  -3.608   6.929  -3.154
  214    HB3  HIS  26           HB3      HIS  26  -2.489   8.226  -2.730
  215    HD1  HIS  26           HD1      HIS  26  -2.231   7.267   0.325
  216    HD2  HIS  26           HD2      HIS  26  -1.600   4.908  -3.054
  217    HE1  HIS  26           HE1      HIS  26  -0.725   5.366   1.050
  218    H    THR  27           H        THR  27  -6.624   7.544  -1.592
  219    HA   THR  27           HA       THR  27  -7.475   8.799  -3.867
  220    HB   THR  27           HB       THR  27  -8.980   7.653  -2.246
  221    HG1  THR  27           HG1      THR  27 -10.716   8.983  -2.667
  222   HG21  THR  27          HG21      THR  27  -9.085   8.350  -0.114
  223   HG22  THR  27          HG22      THR  27  -9.678   9.925  -0.642
  224   HG23  THR  27          HG23      THR  27  -7.943   9.639  -0.493
  225    H    GLY  28           H        GLY  28  -6.115  10.369  -1.098
  226    HA2  GLY  28           HA2      GLY  28  -5.611  12.816  -2.358
  227    HA3  GLY  28           HA3      GLY  28  -7.185  13.008  -1.584
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1  14.744  -9.534  -1.310
    2    H2   MET   1           H2       MET   1  13.652 -10.835  -1.250
    3    H3   MET   1           H3       MET   1  13.751  -9.744   0.048
    4    HA   MET   1           HA       MET   1  12.533  -8.154  -0.977
    5    HB2  MET   1           HB2      MET   1  12.424  -8.292  -3.622
    6    HB3  MET   1           HB3      MET   1  13.817  -7.564  -2.823
    7    HG2  MET   1           HG2      MET   1  15.149  -9.494  -3.128
    8    HG3  MET   1           HG3      MET   1  13.748 -10.510  -3.468
    9    HE1  MET   1           HE1      MET   1  16.662  -8.782  -4.844
   10    HE2  MET   1           HE2      MET   1  16.466  -9.345  -6.502
   11    HE3  MET   1           HE3      MET   1  16.358 -10.489  -5.156
   12    H    ARG   2           H        ARG   2  11.526 -10.496   0.032
   13    HA   ARG   2           HA       ARG   2   9.777 -11.750  -1.969
   14    HB2  ARG   2           HB2      ARG   2  10.820 -12.511   0.536
   15    HB3  ARG   2           HB3      ARG   2   9.077 -12.365   0.772
   16    HG2  ARG   2           HG2      ARG   2  10.385 -13.929  -1.474
   17    HG3  ARG   2           HG3      ARG   2   9.744 -14.644   0.006
   18    HD2  ARG   2           HD2      ARG   2   7.926 -12.839  -1.514
   19    HD3  ARG   2           HD3      ARG   2   8.264 -14.418  -2.225
   20    HE   ARG   2           HE       ARG   2   7.593 -14.721   0.552
   21   HH11  ARG   2          HH11      ARG   2   6.307 -13.986  -2.561
   22   HH12  ARG   2          HH12      ARG   2   4.727 -14.597  -2.199
   23   HH21  ARG   2          HH21      ARG   2   5.538 -15.521   1.044
   24   HH22  ARG   2          HH22      ARG   2   4.291 -15.465  -0.158
   25    HA   PRO   3           HA       PRO   3   6.512  -9.387   0.643
   26    HB2  PRO   3           HB2      PRO   3   7.380  -7.480   2.383
   27    HB3  PRO   3           HB3      PRO   3   7.210  -9.188   2.831
   28    HG2  PRO   3           HG2      PRO   3   9.651  -7.639   2.171
   29    HG3  PRO   3           HG3      PRO   3   9.421  -8.944   3.345
   30    HD2  PRO   3           HD2      PRO   3  10.586  -9.266   0.846
   31    HD3  PRO   3           HD3      PRO   3   9.858 -10.579   1.795
   32    H    TYR   4           H        TYR   4   5.613  -7.065   0.591
   33    HA   TYR   4           HA       TYR   4   7.053  -5.521  -1.531
   34    HB2  TYR   4           HB2      TYR   4   4.466  -6.572  -1.564
   35    HB3  TYR   4           HB3      TYR   4   4.232  -4.861  -1.211
   36    HD1  TYR   4           HD1      TYR   4   6.539  -6.899  -3.371
   37    HD2  TYR   4           HD2      TYR   4   3.885  -3.533  -3.086
   38    HE1  TYR   4           HE1      TYR   4   6.986  -6.345  -5.746
   39    HE2  TYR   4           HE2      TYR   4   4.333  -2.979  -5.461
   40    HH   TYR   4           HH       TYR   4   6.713  -4.809  -7.357
   41    H    SER   5           H        SER   5   5.618  -3.152  -1.371
   42    HA   SER   5           HA       SER   5   5.499  -2.194   1.384
   43    HB2  SER   5           HB2      SER   5   7.911  -1.746  -0.320
   44    HB3  SER   5           HB3      SER   5   7.340  -0.393   0.653
   45    HG   SER   5           HG       SER   5   7.533  -2.927   1.831
   46    H    CYS   6           H        CYS   6   4.689   0.014   1.468
   47    HA   CYS   6           HA       CYS   6   2.862   0.672  -0.621
   48    HB2  CYS   6           HB2      CYS   6   3.623   1.756   1.941
   49    HB3  CYS   6           HB3      CYS   6   3.494   3.063   0.763
   50    H    SER   7           H        SER   7   2.971   2.361  -2.212
   51    HA   SER   7           HA       SER   7   5.769   3.186  -2.876
   52    HB2  SER   7           HB2      SER   7   3.521   2.174  -4.541
   53    HB3  SER   7           HB3      SER   7   4.508   3.455  -5.240
   54    HG   SER   7           HG       SER   7   5.108   0.827  -4.721
   55    H    VAL   8           H        VAL   8   3.513   4.526  -1.260
   56    HA   VAL   8           HA       VAL   8   3.792   7.156  -2.608
   57    HB   VAL   8           HB       VAL   8   1.231   5.711  -2.053
   58   HG11  VAL   8          HG11      VAL   8   0.113   8.019  -2.048
   59   HG12  VAL   8          HG12      VAL   8   1.705   8.672  -1.657
   60   HG13  VAL   8          HG13      VAL   8   0.921   7.540  -0.555
   61   HG21  VAL   8          HG21      VAL   8   2.412   6.323  -4.338
   62   HG22  VAL   8          HG22      VAL   8   1.682   7.904  -4.055
   63   HG23  VAL   8          HG23      VAL   8   0.661   6.472  -4.183
   64    H    CYS   9           H        CYS   9   2.955   5.271   0.254
   65    HA   CYS   9           HA       CYS   9   3.454   7.694   1.927
   66    HB2  CYS   9           HB2      CYS   9   2.296   6.353   3.725
   67    HB3  CYS   9           HB3      CYS   9   1.269   6.754   2.348
   68    H    GLY  10           H        GLY  10   4.766   4.708   0.942
   69    HA2  GLY  10           HA2      GLY  10   6.850   3.761   1.523
   70    HA3  GLY  10           HA3      GLY  10   7.061   5.055   2.705
   71    H    LYS  11           H        LYS  11   6.503   1.765   2.380
   72    HA   LYS  11           HA       LYS  11   6.356   1.299   5.186
   73    HB2  LYS  11           HB2      LYS  11   3.898   2.127   4.169
   74    HB3  LYS  11           HB3      LYS  11   3.761   0.371   4.213
   75    HG2  LYS  11           HG2      LYS  11   4.828   1.923   6.572
   76    HG3  LYS  11           HG3      LYS  11   3.100   1.655   6.351
   77    HD2  LYS  11           HD2      LYS  11   3.844  -0.855   6.004
   78    HD3  LYS  11           HD3      LYS  11   5.266  -0.338   6.913
   79    HE2  LYS  11           HE2      LYS  11   4.008  -0.771   8.751
   80    HE3  LYS  11           HE3      LYS  11   3.223   0.765   8.385
   81    HZ1  LYS  11           HZ1      LYS  11   2.347  -1.914   7.450
   82    HZ2  LYS  11           HZ2      LYS  11   1.610  -0.446   7.030
   83    HZ3  LYS  11           HZ3      LYS  11   1.590  -0.973   8.645
   84    H    ARG  12           H        ARG  12   5.431  -1.130   5.497
   85    HA   ARG  12           HA       ARG  12   6.552  -2.714   3.220
   86    HB2  ARG  12           HB2      ARG  12   7.356  -4.329   4.827
   87    HB3  ARG  12           HB3      ARG  12   7.891  -2.736   5.362
   88    HG2  ARG  12           HG2      ARG  12   7.021  -3.691   7.329
   89    HG3  ARG  12           HG3      ARG  12   5.686  -2.702   6.739
   90    HD2  ARG  12           HD2      ARG  12   4.371  -4.515   6.519
   91    HD3  ARG  12           HD3      ARG  12   5.580  -5.322   5.522
   92    HE   ARG  12           HE       ARG  12   6.342  -6.477   7.452
   93   HH11  ARG  12          HH11      ARG  12   4.169  -3.905   8.188
   94   HH12  ARG  12          HH12      ARG  12   3.975  -4.365   9.848
   95   HH21  ARG  12          HH21      ARG  12   6.102  -7.093   9.614
   96   HH22  ARG  12          HH22      ARG  12   5.070  -6.170  10.654
   97    H    PHE  13           H        PHE  13   5.488  -4.717   2.733
   98    HA   PHE  13           HA       PHE  13   3.078  -5.502   4.180
   99    HB2  PHE  13           HB2      PHE  13   2.829  -4.376   1.372
  100    HB3  PHE  13           HB3      PHE  13   1.536  -5.161   2.279
  101    HD1  PHE  13           HD1      PHE  13   1.239  -4.156   4.779
  102    HD2  PHE  13           HD2      PHE  13   2.887  -2.051   1.415
  103    HE1  PHE  13           HE1      PHE  13   0.692  -2.000   5.853
  104    HE2  PHE  13           HE2      PHE  13   2.334   0.098   2.493
  105    HZ   PHE  13           HZ       PHE  13   1.240   0.117   4.706
  106    H    SER  14           H        SER  14   2.830  -7.686   3.892
  107    HA   SER  14           HA       SER  14   4.466  -8.965   1.760
  108    HB2  SER  14           HB2      SER  14   3.024 -10.360   4.021
  109    HB3  SER  14           HB3      SER  14   4.365 -10.966   3.053
  110    HG   SER  14           HG       SER  14   4.419  -8.775   4.864
  111    H    LEU  15           H        LEU  15   1.553  -7.707   1.868
  112    HA   LEU  15           HA       LEU  15   0.342  -9.908   0.247
  113    HB2  LEU  15           HB2      LEU  15  -0.968  -8.128   2.316
  114    HB3  LEU  15           HB3      LEU  15  -1.893  -9.033   1.118
  115    HG   LEU  15           HG       LEU  15   0.101 -10.299   3.016
  116   HD11  LEU  15          HD11      LEU  15  -2.921 -10.097   3.182
  117   HD12  LEU  15          HD12      LEU  15  -1.763  -9.376   4.298
  118   HD13  LEU  15          HD13      LEU  15  -1.928 -11.130   4.209
  119   HD21  LEU  15          HD21      LEU  15  -1.766 -12.175   2.179
  120   HD22  LEU  15          HD22      LEU  15  -0.137 -11.995   1.530
  121   HD23  LEU  15          HD23      LEU  15  -1.498 -11.206   0.731
  122    H    LYS  16           H        LYS  16   0.843  -8.960  -1.746
  123    HA   LYS  16           HA       LYS  16   0.871  -6.283  -2.475
  124    HB2  LYS  16           HB2      LYS  16  -0.119  -8.670  -4.058
  125    HB3  LYS  16           HB3      LYS  16   0.131  -7.073  -4.766
  126    HG2  LYS  16           HG2      LYS  16   2.350  -7.420  -4.912
  127    HG3  LYS  16           HG3      LYS  16   2.439  -7.840  -3.202
  128    HD2  LYS  16           HD2      LYS  16   1.792 -10.140  -3.687
  129    HD3  LYS  16           HD3      LYS  16   1.560  -9.744  -5.391
  130    HE2  LYS  16           HE2      LYS  16   4.051  -8.926  -5.258
  131    HE3  LYS  16           HE3      LYS  16   4.121  -9.965  -3.834
  132    HZ1  LYS  16           HZ1      LYS  16   3.159 -11.752  -5.282
  133    HZ2  LYS  16           HZ2      LYS  16   4.744 -11.284  -5.667
  134    HZ3  LYS  16           HZ3      LYS  16   3.445 -10.736  -6.615
  135    H    HIS  17           H        HIS  17  -1.991  -8.397  -2.242
  136    HA   HIS  17           HA       HIS  17  -3.882  -6.474  -3.205
  137    HB2  HIS  17           HB2      HIS  17  -3.954  -9.059  -1.820
  138    HB3  HIS  17           HB3      HIS  17  -5.265  -7.987  -1.329
  139    HD1  HIS  17           HD1      HIS  17  -7.064  -7.414  -3.071
  140    HD2  HIS  17           HD2      HIS  17  -3.981  -9.763  -4.616
  141    HE1  HIS  17           HE1      HIS  17  -7.831  -8.194  -5.357
  142    HE2  HIS  17           HE2      HIS  17  -5.964  -9.624  -6.305
  143    H    GLN  18           H        GLN  18  -2.755  -7.233   0.100
  144    HA   GLN  18           HA       GLN  18  -4.406  -5.388   1.483
  145    HB2  GLN  18           HB2      GLN  18  -2.860  -7.139   2.499
  146    HB3  GLN  18           HB3      GLN  18  -1.534  -6.012   2.209
  147    HG2  GLN  18           HG2      GLN  18  -3.904  -4.856   3.555
  148    HG3  GLN  18           HG3      GLN  18  -3.002  -6.043   4.499
  149   HE21  GLN  18          HE21      GLN  18  -1.266  -4.187   2.083
  150   HE22  GLN  18          HE22      GLN  18  -0.439  -3.182   3.171
  151    H    MET  19           H        MET  19  -1.121  -4.932   0.139
  152    HA   MET  19           HA       MET  19  -0.960  -2.141   0.803
  153    HB2  MET  19           HB2      MET  19   0.915  -3.772   0.042
  154    HB3  MET  19           HB3      MET  19   0.388  -3.371  -1.592
  155    HG2  MET  19           HG2      MET  19   1.085  -1.261   0.462
  156    HG3  MET  19           HG3      MET  19   2.268  -1.920  -0.669
  157    HE1  MET  19           HE1      MET  19   2.916  -0.734  -2.463
  158    HE2  MET  19           HE2      MET  19   1.889  -0.136  -3.772
  159    HE3  MET  19           HE3      MET  19   1.903  -1.851  -3.374
  160    H    GLU  20           H        GLU  20  -1.815  -3.836  -2.216
  161    HA   GLU  20           HA       GLU  20  -2.416  -1.545  -3.775
  162    HB2  GLU  20           HB2      GLU  20  -2.452  -3.453  -5.072
  163    HB3  GLU  20           HB3      GLU  20  -3.208  -4.421  -3.806
  164    HG2  GLU  20           HG2      GLU  20  -5.354  -3.640  -4.300
  165    HG3  GLU  20           HG3      GLU  20  -4.748  -2.187  -5.097
  166    H    THR  21           H        THR  21  -4.373  -3.410  -1.496
  167    HA   THR  21           HA       THR  21  -6.799  -1.881  -1.952
  168    HB   THR  21           HB       THR  21  -5.869  -3.886   0.076
  169    HG1  THR  21           HG1      THR  21  -7.156  -4.038  -2.085
  170   HG21  THR  21          HG21      THR  21  -8.140  -1.929   0.400
  171   HG22  THR  21          HG22      THR  21  -6.902  -2.378   1.572
  172   HG23  THR  21          HG23      THR  21  -8.183  -3.519   1.164
  173    H    HIS  22           H        HIS  22  -3.908  -1.453  -0.128
  174    HA   HIS  22           HA       HIS  22  -5.010   0.458   1.781
  175    HB2  HIS  22           HB2      HIS  22  -3.059  -0.489   2.609
  176    HB3  HIS  22           HB3      HIS  22  -2.275  -0.501   1.032
  177    HD1  HIS  22           HD1      HIS  22  -2.911   1.674   4.005
  178    HD2  HIS  22           HD2      HIS  22  -1.070   1.989   0.278
  179    HE1  HIS  22           HE1      HIS  22  -1.571   3.823   4.046
  180    H    TYR  23           H        TYR  23  -3.556   0.620  -1.421
  181    HA   TYR  23           HA       TYR  23  -2.848   3.329  -1.557
  182    HB2  TYR  23           HB2      TYR  23  -3.546   1.242  -3.464
  183    HB3  TYR  23           HB3      TYR  23  -4.091   2.829  -4.008
  184    HD1  TYR  23           HD1      TYR  23  -1.128   1.831  -1.949
  185    HD2  TYR  23           HD2      TYR  23  -2.549   3.580  -5.606
  186    HE1  TYR  23           HE1      TYR  23   1.199   2.426  -2.568
  187    HE2  TYR  23           HE2      TYR  23  -0.222   4.176  -6.225
  188    HH   TYR  23           HH       TYR  23   2.121   3.282  -5.639
  189    H    ARG  24           H        ARG  24  -6.067   1.856  -1.720
  190    HA   ARG  24           HA       ARG  24  -7.588   4.058  -2.572
  191    HB2  ARG  24           HB2      ARG  24  -8.076   1.605  -1.108
  192    HB3  ARG  24           HB3      ARG  24  -9.030   2.922  -0.425
  193    HG2  ARG  24           HG2      ARG  24 -10.075   3.390  -2.514
  194    HG3  ARG  24           HG3      ARG  24  -8.911   2.404  -3.401
  195    HD2  ARG  24           HD2      ARG  24 -10.688   0.923  -3.287
  196    HD3  ARG  24           HD3      ARG  24  -9.831   0.489  -1.807
  197    HE   ARG  24           HE       ARG  24 -11.660   1.332  -0.587
  198   HH11  ARG  24          HH11      ARG  24 -11.579   2.566  -3.805
  199   HH12  ARG  24          HH12      ARG  24 -13.100   3.384  -3.672
  200   HH21  ARG  24          HH21      ARG  24 -13.648   2.392  -0.394
  201   HH22  ARG  24          HH22      ARG  24 -14.272   3.284  -1.741
  202    H    VAL  25           H        VAL  25  -5.421   4.003  -0.080
  203    HA   VAL  25           HA       VAL  25  -6.882   5.937   1.634
  204    HB   VAL  25           HB       VAL  25  -4.312   4.375   1.901
  205   HG11  VAL  25          HG11      VAL  25  -4.171   5.656   4.164
  206   HG12  VAL  25          HG12      VAL  25  -5.167   6.870   3.360
  207   HG13  VAL  25          HG13      VAL  25  -3.580   6.460   2.709
  208   HG21  VAL  25          HG21      VAL  25  -6.578   4.722   3.872
  209   HG22  VAL  25          HG22      VAL  25  -5.375   3.434   3.808
  210   HG23  VAL  25          HG23      VAL  25  -6.644   3.518   2.586
  211    H    HIS  26           H        HIS  26  -5.267   6.081  -1.166
  212    HA   HIS  26           HA       HIS  26  -3.703   8.524  -0.494
  213    HB2  HIS  26           HB2      HIS  26  -3.767   6.906  -3.060
  214    HB3  HIS  26           HB3      HIS  26  -2.647   8.215  -2.677
  215    HD1  HIS  26           HD1      HIS  26  -2.436   7.132   0.411
  216    HD2  HIS  26           HD2      HIS  26  -1.571   5.030  -3.083
  217    HE1  HIS  26           HE1      HIS  26  -0.838   5.282   1.068
  218    H    THR  27           H        THR  27  -6.763   8.095  -0.969
  219    HA   THR  27           HA       THR  27  -7.028  10.310  -2.964
  220    HB   THR  27           HB       THR  27  -9.496   8.925  -2.764
  221    HG1  THR  27           HG1      THR  27  -7.341   7.331  -2.388
  222   HG21  THR  27          HG21      THR  27  -8.696  10.080  -4.754
  223   HG22  THR  27          HG22      THR  27  -8.989   8.387  -5.149
  224   HG23  THR  27          HG23      THR  27  -7.341   8.960  -4.896
  225    H    GLY  28           H        GLY  28  -9.661  10.979  -2.538
  226    HA2  GLY  28           HA2      GLY  28 -10.416  11.148   0.230
  227    HA3  GLY  28           HA3      GLY  28  -9.589  12.628  -0.256
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1  14.155 -12.311  -1.144
    2    H2   MET   1           H2       MET   1  13.681 -12.685  -2.731
    3    H3   MET   1           H3       MET   1  13.769 -13.910  -1.557
    4    HA   MET   1           HA       MET   1  11.499 -12.717  -2.246
    5    HB2  MET   1           HB2      MET   1  12.207 -13.601   0.568
    6    HB3  MET   1           HB3      MET   1  10.599 -13.593  -0.157
    7    HG2  MET   1           HG2      MET   1  11.045 -15.741  -0.729
    8    HG3  MET   1           HG3      MET   1  12.060 -15.044  -1.990
    9    HE1  MET   1           HE1      MET   1  12.281 -17.713   0.874
   10    HE2  MET   1           HE2      MET   1  11.590 -16.189   1.424
   11    HE3  MET   1           HE3      MET   1  13.143 -16.740   2.064
   12    H    ARG   2           H        ARG   2  12.199 -10.374  -2.493
   13    HA   ARG   2           HA       ARG   2  12.535  -8.783  -0.081
   14    HB2  ARG   2           HB2      ARG   2  12.468  -6.865  -1.572
   15    HB3  ARG   2           HB3      ARG   2  13.443  -8.125  -2.329
   16    HG2  ARG   2           HG2      ARG   2  11.486  -8.836  -3.661
   17    HG3  ARG   2           HG3      ARG   2  10.520  -7.563  -2.915
   18    HD2  ARG   2           HD2      ARG   2  12.238  -5.904  -3.781
   19    HD3  ARG   2           HD3      ARG   2  12.930  -7.230  -4.717
   20    HE   ARG   2           HE       ARG   2  10.040  -6.717  -5.085
   21   HH11  ARG   2          HH11      ARG   2  13.308  -6.405  -6.142
   22   HH12  ARG   2          HH12      ARG   2  12.883  -6.066  -7.787
   23   HH21  ARG   2          HH21      ARG   2   9.468  -6.274  -7.226
   24   HH22  ARG   2          HH22      ARG   2  10.709  -5.990  -8.400
   25    HA   PRO   3           HA       PRO   3   8.213  -8.443   0.860
   26    HB2  PRO   3           HB2      PRO   3   8.342  -6.312   2.564
   27    HB3  PRO   3           HB3      PRO   3   8.864  -7.947   3.013
   28    HG2  PRO   3           HG2      PRO   3  10.492  -5.594   2.209
   29    HG3  PRO   3           HG3      PRO   3  10.824  -6.837   3.426
   30    HD2  PRO   3           HD2      PRO   3  11.967  -6.819   0.921
   31    HD3  PRO   3           HD3      PRO   3  11.724  -8.293   1.884
   32    H    TYR   4           H        TYR   4   6.390  -6.959   0.559
   33    HA   TYR   4           HA       TYR   4   6.828  -5.119  -1.682
   34    HB2  TYR   4           HB2      TYR   4   4.717  -6.708  -0.918
   35    HB3  TYR   4           HB3      TYR   4   4.180  -5.113  -0.390
   36    HD1  TYR   4           HD1      TYR   4   5.176  -7.162  -3.290
   37    HD2  TYR   4           HD2      TYR   4   3.774  -3.318  -1.981
   38    HE1  TYR   4           HE1      TYR   4   4.630  -6.564  -5.634
   39    HE2  TYR   4           HE2      TYR   4   3.229  -2.720  -4.327
   40    HH   TYR   4           HH       TYR   4   3.151  -5.021  -6.839
   41    H    SER   5           H        SER   5   5.608  -2.909  -1.490
   42    HA   SER   5           HA       SER   5   5.723  -1.748   1.218
   43    HB2  SER   5           HB2      SER   5   7.148   0.030  -0.543
   44    HB3  SER   5           HB3      SER   5   7.688  -0.680   0.976
   45    HG   SER   5           HG       SER   5   7.676  -2.584  -0.870
   46    H    CYS   6           H        CYS   6   4.696   0.381   1.287
   47    HA   CYS   6           HA       CYS   6   2.391   0.602  -0.354
   48    HB2  CYS   6           HB2      CYS   6   3.583   2.079   1.798
   49    HB3  CYS   6           HB3      CYS   6   3.093   3.213   0.539
   50    H    SER   7           H        SER   7   5.664   1.553  -0.937
   51    HA   SER   7           HA       SER   7   6.655   2.751  -2.703
   52    HB2  SER   7           HB2      SER   7   6.090   0.983  -4.119
   53    HB3  SER   7           HB3      SER   7   4.360   1.241  -3.915
   54    HG   SER   7           HG       SER   7   4.402   2.736  -5.422
   55    H    VAL   8           H        VAL   8   4.242   3.995  -1.136
   56    HA   VAL   8           HA       VAL   8   4.102   6.391  -2.874
   57    HB   VAL   8           HB       VAL   8   1.860   4.566  -2.327
   58   HG11  VAL   8          HG11      VAL   8   1.652   7.516  -1.676
   59   HG12  VAL   8          HG12      VAL   8   1.194   6.150  -0.659
   60   HG13  VAL   8          HG13      VAL   8   0.250   6.534  -2.098
   61   HG21  VAL   8          HG21      VAL   8   2.815   5.569  -4.543
   62   HG22  VAL   8          HG22      VAL   8   1.860   6.989  -4.115
   63   HG23  VAL   8          HG23      VAL   8   1.066   5.432  -4.359
   64    H    CYS   9           H        CYS   9   3.395   4.830   0.209
   65    HA   CYS   9           HA       CYS   9   3.555   7.492   1.544
   66    HB2  CYS   9           HB2      CYS   9   2.800   5.374   3.327
   67    HB3  CYS   9           HB3      CYS   9   1.846   6.765   2.811
   68    H    GLY  10           H        GLY  10   4.863   4.207   1.510
   69    HA2  GLY  10           HA2      GLY  10   7.275   3.923   1.945
   70    HA3  GLY  10           HA3      GLY  10   7.154   5.213   3.140
   71    H    LYS  11           H        LYS  11   5.639   2.036   2.478
   72    HA   LYS  11           HA       LYS  11   6.126   1.330   5.327
   73    HB2  LYS  11           HB2      LYS  11   3.471   1.274   3.885
   74    HB3  LYS  11           HB3      LYS  11   3.784   0.263   5.297
   75    HG2  LYS  11           HG2      LYS  11   3.675   2.022   6.728
   76    HG3  LYS  11           HG3      LYS  11   4.584   3.075   5.643
   77    HD2  LYS  11           HD2      LYS  11   2.575   3.408   4.260
   78    HD3  LYS  11           HD3      LYS  11   1.660   2.339   5.324
   79    HE2  LYS  11           HE2      LYS  11   1.933   5.097   5.619
   80    HE3  LYS  11           HE3      LYS  11   1.342   3.976   6.847
   81    HZ1  LYS  11           HZ1      LYS  11   3.152   5.253   7.731
   82    HZ2  LYS  11           HZ2      LYS  11   4.157   4.825   6.435
   83    HZ3  LYS  11           HZ3      LYS  11   3.659   3.642   7.548
   84    H    ARG  12           H        ARG  12   5.344  -1.157   5.522
   85    HA   ARG  12           HA       ARG  12   6.447  -2.547   3.112
   86    HB2  ARG  12           HB2      ARG  12   8.069  -2.919   4.762
   87    HB3  ARG  12           HB3      ARG  12   6.872  -3.009   6.055
   88    HG2  ARG  12           HG2      ARG  12   6.941  -5.046   3.828
   89    HG3  ARG  12           HG3      ARG  12   7.927  -5.231   5.278
   90    HD2  ARG  12           HD2      ARG  12   5.340  -4.548   6.186
   91    HD3  ARG  12           HD3      ARG  12   5.109  -5.760   4.926
   92    HE   ARG  12           HE       ARG  12   7.142  -6.821   6.465
   93   HH11  ARG  12          HH11      ARG  12   3.998  -5.534   7.054
   94   HH12  ARG  12          HH12      ARG  12   3.694  -6.549   8.424
   95   HH21  ARG  12          HH21      ARG  12   6.764  -8.153   8.252
   96   HH22  ARG  12          HH22      ARG  12   5.260  -8.031   9.103
   97    H    PHE  13           H        PHE  13   5.401  -4.470   2.472
   98    HA   PHE  13           HA       PHE  13   3.144  -5.490   4.057
   99    HB2  PHE  13           HB2      PHE  13   2.668  -4.416   1.265
  100    HB3  PHE  13           HB3      PHE  13   1.467  -5.121   2.348
  101    HD1  PHE  13           HD1      PHE  13   1.232  -3.973   4.708
  102    HD2  PHE  13           HD2      PHE  13   2.994  -2.096   1.267
  103    HE1  PHE  13           HE1      PHE  13   0.837  -1.749   5.712
  104    HE2  PHE  13           HE2      PHE  13   2.595   0.122   2.275
  105    HZ   PHE  13           HZ       PHE  13   1.519   0.287   4.491
  106    H    SER  14           H        SER  14   2.991  -7.672   3.731
  107    HA   SER  14           HA       SER  14   4.622  -8.844   1.540
  108    HB2  SER  14           HB2      SER  14   5.108  -9.867   3.636
  109    HB3  SER  14           HB3      SER  14   3.403  -9.966   4.070
  110    HG   SER  14           HG       SER  14   4.882 -11.481   2.207
  111    H    LEU  15           H        LEU  15   1.624  -7.709   1.802
  112    HA   LEU  15           HA       LEU  15   0.503  -9.843   0.033
  113    HB2  LEU  15           HB2      LEU  15  -0.592  -8.644   2.490
  114    HB3  LEU  15           HB3      LEU  15  -1.714  -8.623   1.128
  115    HG   LEU  15           HG       LEU  15  -1.243 -11.064   0.780
  116   HD11  LEU  15          HD11      LEU  15  -0.308 -11.901   3.236
  117   HD12  LEU  15          HD12      LEU  15   0.668 -10.464   2.932
  118   HD13  LEU  15          HD13      LEU  15   0.665 -11.790   1.769
  119   HD21  LEU  15          HD21      LEU  15  -2.907 -11.651   2.256
  120   HD22  LEU  15          HD22      LEU  15  -3.025  -9.901   2.436
  121   HD23  LEU  15          HD23      LEU  15  -2.123 -10.851   3.618
  122    H    LYS  16           H        LYS  16   0.925  -8.756  -1.899
  123    HA   LYS  16           HA       LYS  16   0.832  -6.040  -2.463
  124    HB2  LYS  16           HB2      LYS  16  -0.052  -6.783  -4.777
  125    HB3  LYS  16           HB3      LYS  16   1.484  -7.467  -4.240
  126    HG2  LYS  16           HG2      LYS  16   0.228  -9.451  -3.359
  127    HG3  LYS  16           HG3      LYS  16  -1.240  -8.787  -4.077
  128    HD2  LYS  16           HD2      LYS  16  -0.681  -9.630  -6.084
  129    HD3  LYS  16           HD3      LYS  16   0.857  -8.767  -6.043
  130    HE2  LYS  16           HE2      LYS  16   1.946 -10.566  -4.906
  131    HE3  LYS  16           HE3      LYS  16   0.413 -11.366  -4.561
  132    HZ1  LYS  16           HZ1      LYS  16   1.108 -12.532  -6.378
  133    HZ2  LYS  16           HZ2      LYS  16   1.902 -11.208  -7.082
  134    HZ3  LYS  16           HZ3      LYS  16   0.207 -11.314  -7.148
  135    H    HIS  17           H        HIS  17  -1.947  -8.288  -2.436
  136    HA   HIS  17           HA       HIS  17  -3.947  -6.441  -3.202
  137    HB2  HIS  17           HB2      HIS  17  -4.536  -8.762  -3.007
  138    HB3  HIS  17           HB3      HIS  17  -4.045  -8.808  -1.314
  139    HD1  HIS  17           HD1      HIS  17  -7.002  -8.593  -3.280
  140    HD2  HIS  17           HD2      HIS  17  -5.726  -6.707   0.215
  141    HE1  HIS  17           HE1      HIS  17  -9.082  -7.687  -2.153
  142    HE2  HIS  17           HE2      HIS  17  -8.318  -6.540  -0.023
  143    H    GLN  18           H        GLN  18  -2.643  -7.162   0.044
  144    HA   GLN  18           HA       GLN  18  -4.312  -5.394   1.510
  145    HB2  GLN  18           HB2      GLN  18  -2.829  -6.998   2.626
  146    HB3  GLN  18           HB3      GLN  18  -1.413  -6.150   2.004
  147    HG2  GLN  18           HG2      GLN  18  -3.491  -4.764   3.706
  148    HG3  GLN  18           HG3      GLN  18  -2.104  -5.594   4.411
  149   HE21  GLN  18          HE21      GLN  18  -0.258  -4.897   2.203
  150   HE22  GLN  18          HE22      GLN  18   0.063  -3.237   2.354
  151    H    MET  19           H        MET  19  -1.038  -4.793   0.183
  152    HA   MET  19           HA       MET  19  -0.979  -2.007   0.795
  153    HB2  MET  19           HB2      MET  19   0.918  -3.568  -0.060
  154    HB3  MET  19           HB3      MET  19   0.308  -3.178  -1.668
  155    HG2  MET  19           HG2      MET  19   1.155  -1.132   0.403
  156    HG3  MET  19           HG3      MET  19   2.139  -1.644  -0.968
  157    HE1  MET  19           HE1      MET  19   0.684  -0.360  -4.032
  158    HE2  MET  19           HE2      MET  19  -0.144  -1.822  -3.479
  159    HE3  MET  19           HE3      MET  19   1.582  -1.622  -3.192
  160    H    GLU  20           H        GLU  20  -1.915  -3.716  -2.194
  161    HA   GLU  20           HA       GLU  20  -2.673  -1.428  -3.697
  162    HB2  GLU  20           HB2      GLU  20  -2.661  -3.334  -5.005
  163    HB3  GLU  20           HB3      GLU  20  -3.365  -4.334  -3.735
  164    HG2  GLU  20           HG2      GLU  20  -5.536  -3.652  -4.206
  165    HG3  GLU  20           HG3      GLU  20  -5.010  -2.130  -4.929
  166    H    THR  21           H        THR  21  -4.431  -3.396  -1.344
  167    HA   THR  21           HA       THR  21  -6.949  -1.997  -1.678
  168    HB   THR  21           HB       THR  21  -5.809  -3.946   0.288
  169    HG1  THR  21           HG1      THR  21  -6.941  -4.855  -1.315
  170   HG21  THR  21          HG21      THR  21  -8.063  -2.024   0.821
  171   HG22  THR  21          HG22      THR  21  -6.750  -2.510   1.892
  172   HG23  THR  21          HG23      THR  21  -8.066  -3.633   1.544
  173    H    HIS  22           H        HIS  22  -3.990  -1.397  -0.001
  174    HA   HIS  22           HA       HIS  22  -5.107   0.502   1.916
  175    HB2  HIS  22           HB2      HIS  22  -3.068  -0.414   2.641
  176    HB3  HIS  22           HB3      HIS  22  -2.324  -0.257   1.050
  177    HD1  HIS  22           HD1      HIS  22  -2.534   1.406   4.266
  178    HD2  HIS  22           HD2      HIS  22  -1.933   2.637   0.330
  179    HE1  HIS  22           HE1      HIS  22  -1.554   3.739   4.387
  180    H    TYR  23           H        TYR  23  -3.756   0.639  -1.325
  181    HA   TYR  23           HA       TYR  23  -3.205   3.376  -1.576
  182    HB2  TYR  23           HB2      TYR  23  -4.008   1.211  -3.432
  183    HB3  TYR  23           HB3      TYR  23  -4.315   2.851  -4.003
  184    HD1  TYR  23           HD1      TYR  23  -1.601   1.840  -1.681
  185    HD2  TYR  23           HD2      TYR  23  -2.615   3.021  -5.684
  186    HE1  TYR  23           HE1      TYR  23   0.805   2.113  -2.211
  187    HE2  TYR  23           HE2      TYR  23  -0.208   3.293  -6.215
  188    HH   TYR  23           HH       TYR  23   1.894   2.834  -5.496
  189    H    ARG  24           H        ARG  24  -6.323   1.724  -1.500
  190    HA   ARG  24           HA       ARG  24  -8.006   3.756  -2.477
  191    HB2  ARG  24           HB2      ARG  24  -8.474   1.886  -0.131
  192    HB3  ARG  24           HB3      ARG  24  -9.732   2.829  -0.930
  193    HG2  ARG  24           HG2      ARG  24  -7.998   1.152  -2.676
  194    HG3  ARG  24           HG3      ARG  24  -9.159   0.304  -1.655
  195    HD2  ARG  24           HD2      ARG  24 -10.219   0.804  -3.785
  196    HD3  ARG  24           HD3      ARG  24 -10.956   1.808  -2.537
  197    HE   ARG  24           HE       ARG  24  -8.726   3.034  -4.035
  198   HH11  ARG  24          HH11      ARG  24 -12.108   2.585  -3.530
  199   HH12  ARG  24          HH12      ARG  24 -12.560   4.033  -4.367
  200   HH21  ARG  24          HH21      ARG  24  -9.299   4.927  -5.131
  201   HH22  ARG  24          HH22      ARG  24 -10.970   5.357  -5.274
  202    H    VAL  25           H        VAL  25  -5.728   4.113  -0.155
  203    HA   VAL  25           HA       VAL  25  -7.278   6.035   1.499
  204    HB   VAL  25           HB       VAL  25  -4.705   4.540   1.799
  205   HG11  VAL  25          HG11      VAL  25  -5.286   7.272   2.965
  206   HG12  VAL  25          HG12      VAL  25  -3.850   6.753   2.083
  207   HG13  VAL  25          HG13      VAL  25  -4.151   6.149   3.713
  208   HG21  VAL  25          HG21      VAL  25  -7.064   5.271   3.555
  209   HG22  VAL  25          HG22      VAL  25  -5.624   4.466   4.181
  210   HG23  VAL  25          HG23      VAL  25  -6.616   3.672   2.959
  211    H    HIS  26           H        HIS  26  -5.109   5.880  -1.143
  212    HA   HIS  26           HA       HIS  26  -4.002   8.571  -0.780
  213    HB2  HIS  26           HB2      HIS  26  -3.941   6.820  -3.253
  214    HB3  HIS  26           HB3      HIS  26  -2.865   8.164  -2.872
  215    HD1  HIS  26           HD1      HIS  26  -2.567   7.273   0.209
  216    HD2  HIS  26           HD2      HIS  26  -1.848   4.889  -3.133
  217    HE1  HIS  26           HE1      HIS  26  -0.985   5.446   0.962
  218    H    THR  27           H        THR  27  -6.228   7.016  -3.117
  219    HA   THR  27           HA       THR  27  -8.065   7.944  -4.259
  220    HB   THR  27           HB       THR  27  -7.891  10.641  -3.122
  221    HG1  THR  27           HG1      THR  27  -7.516  10.079  -1.153
  222   HG21  THR  27          HG21      THR  27 -10.227  10.192  -2.617
  223   HG22  THR  27          HG22      THR  27  -9.990   8.467  -2.902
  224   HG23  THR  27          HG23      THR  27  -9.873   9.607  -4.243
  225    H    GLY  28           H        GLY  28  -6.065  10.855  -3.701
  226    HA2  GLY  28           HA2      GLY  28  -4.830  12.150  -5.229
  227    HA3  GLY  28           HA3      GLY  28  -4.861  10.771  -6.330
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1   5.958 -15.689  -1.861
    2    H2   MET   1           H2       MET   1   5.854 -14.841  -3.329
    3    H3   MET   1           H3       MET   1   5.421 -14.080  -1.873
    4    HA   MET   1           HA       MET   1   7.743 -14.329  -1.098
    5    HB2  MET   1           HB2      MET   1   9.431 -14.841  -2.839
    6    HB3  MET   1           HB3      MET   1   8.346 -16.206  -2.571
    7    HG2  MET   1           HG2      MET   1   7.816 -16.176  -4.756
    8    HG3  MET   1           HG3      MET   1   7.129 -14.566  -4.543
    9    HE1  MET   1           HE1      MET   1   9.023 -15.580  -7.492
   10    HE2  MET   1           HE2      MET   1   8.818 -13.837  -7.644
   11    HE3  MET   1           HE3      MET   1   7.542 -14.819  -6.912
   12    H    ARG   2           H        ARG   2   9.577 -12.892  -2.524
   13    HA   ARG   2           HA       ARG   2  10.015 -10.674  -3.163
   14    HB2  ARG   2           HB2      ARG   2   9.055 -11.624  -5.287
   15    HB3  ARG   2           HB3      ARG   2   7.477 -11.016  -4.785
   16    HG2  ARG   2           HG2      ARG   2   8.580  -8.722  -4.568
   17    HG3  ARG   2           HG3      ARG   2   9.965  -9.415  -5.412
   18    HD2  ARG   2           HD2      ARG   2   8.075 -10.221  -7.107
   19    HD3  ARG   2           HD3      ARG   2   7.217  -8.834  -6.436
   20    HE   ARG   2           HE       ARG   2   8.853  -7.389  -7.418
   21   HH11  ARG   2          HH11      ARG   2   9.564 -10.748  -7.740
   22   HH12  ARG   2          HH12      ARG   2  10.803 -10.507  -8.925
   23   HH21  ARG   2          HH21      ARG   2  10.468  -7.057  -8.964
   24   HH22  ARG   2          HH22      ARG   2  11.316  -8.418  -9.618
   25    HA   PRO   3           HA       PRO   3   7.068  -9.257   0.166
   26    HB2  PRO   3           HB2      PRO   3   9.425  -7.440   0.440
   27    HB3  PRO   3           HB3      PRO   3   8.488  -8.269   1.697
   28    HG2  PRO   3           HG2      PRO   3  10.904  -9.122   0.945
   29    HG3  PRO   3           HG3      PRO   3   9.621 -10.239   1.435
   30    HD2  PRO   3           HD2      PRO   3  10.710  -9.712  -1.281
   31    HD3  PRO   3           HD3      PRO   3   9.924 -11.173  -0.642
   32    H    TYR   4           H        TYR   4   6.018  -7.141   0.395
   33    HA   TYR   4           HA       TYR   4   6.445  -5.344  -1.959
   34    HB2  TYR   4           HB2      TYR   4   4.185  -6.913  -1.477
   35    HB3  TYR   4           HB3      TYR   4   3.722  -5.304  -0.920
   36    HD1  TYR   4           HD1      TYR   4   3.820  -3.360  -2.463
   37    HD2  TYR   4           HD2      TYR   4   4.609  -7.362  -3.809
   38    HE1  TYR   4           HE1      TYR   4   3.543  -2.624  -4.815
   39    HE2  TYR   4           HE2      TYR   4   4.332  -6.626  -6.161
   40    HH   TYR   4           HH       TYR   4   3.991  -4.906  -7.519
   41    H    SER   5           H        SER   5   5.273  -3.140  -1.478
   42    HA   SER   5           HA       SER   5   5.074  -2.367   1.325
   43    HB2  SER   5           HB2      SER   5   7.338  -2.073   1.542
   44    HB3  SER   5           HB3      SER   5   7.592  -1.958  -0.197
   45    HG   SER   5           HG       SER   5   7.893   0.036   0.997
   46    H    CYS   6           H        CYS   6   4.651   0.053   1.472
   47    HA   CYS   6           HA       CYS   6   2.834   0.818  -0.671
   48    HB2  CYS   6           HB2      CYS   6   3.363   1.626   2.043
   49    HB3  CYS   6           HB3      CYS   6   3.343   3.049   1.001
   50    H    SER   7           H        SER   7   3.473   1.817  -2.515
   51    HA   SER   7           HA       SER   7   6.140   3.114  -2.581
   52    HB2  SER   7           HB2      SER   7   5.386   1.435  -4.343
   53    HB3  SER   7           HB3      SER   7   4.247   2.658  -4.900
   54    HG   SER   7           HG       SER   7   6.834   2.426  -5.451
   55    H    VAL   8           H        VAL   8   3.668   4.321  -1.312
   56    HA   VAL   8           HA       VAL   8   3.841   6.913  -2.763
   57    HB   VAL   8           HB       VAL   8   1.365   5.321  -2.181
   58   HG11  VAL   8          HG11      VAL   8   0.875   7.281  -0.917
   59   HG12  VAL   8          HG12      VAL   8   0.110   7.537  -2.486
   60   HG13  VAL   8          HG13      VAL   8   1.638   8.331  -2.111
   61   HG21  VAL   8          HG21      VAL   8   0.729   6.248  -4.389
   62   HG22  VAL   8          HG22      VAL   8   2.282   5.416  -4.467
   63   HG23  VAL   8          HG23      VAL   8   2.226   7.179  -4.422
   64    H    CYS   9           H        CYS   9   3.164   5.095   0.164
   65    HA   CYS   9           HA       CYS   9   3.472   7.633   1.713
   66    HB2  CYS   9           HB2      CYS   9   2.129   6.427   3.492
   67    HB3  CYS   9           HB3      CYS   9   1.229   6.827   2.029
   68    H    GLY  10           H        GLY  10   4.971   4.804   0.865
   69    HA2  GLY  10           HA2      GLY  10   6.907   3.773   1.705
   70    HA3  GLY  10           HA3      GLY  10   7.004   5.074   2.893
   71    H    LYS  11           H        LYS  11   6.589   1.800   2.604
   72    HA   LYS  11           HA       LYS  11   6.104   1.349   5.354
   73    HB2  LYS  11           HB2      LYS  11   3.770   2.196   4.114
   74    HB3  LYS  11           HB3      LYS  11   3.613   0.440   4.109
   75    HG2  LYS  11           HG2      LYS  11   4.399   2.005   6.576
   76    HG3  LYS  11           HG3      LYS  11   2.724   1.607   6.191
   77    HD2  LYS  11           HD2      LYS  11   3.756  -0.834   5.896
   78    HD3  LYS  11           HD3      LYS  11   4.960  -0.194   7.016
   79    HE2  LYS  11           HE2      LYS  11   3.352  -1.068   8.476
   80    HE3  LYS  11           HE3      LYS  11   2.880   0.628   8.376
   81    HZ1  LYS  11           HZ1      LYS  11   1.725  -0.930   6.285
   82    HZ2  LYS  11           HZ2      LYS  11   0.971   0.088   7.411
   83    HZ3  LYS  11           HZ3      LYS  11   1.299  -1.529   7.816
   84    H    ARG  12           H        ARG  12   5.396  -1.050   5.702
   85    HA   ARG  12           HA       ARG  12   6.611  -2.663   3.500
   86    HB2  ARG  12           HB2      ARG  12   7.415  -4.177   5.134
   87    HB3  ARG  12           HB3      ARG  12   7.683  -2.588   5.850
   88    HG2  ARG  12           HG2      ARG  12   6.664  -3.790   7.597
   89    HG3  ARG  12           HG3      ARG  12   5.320  -2.898   6.887
   90    HD2  ARG  12           HD2      ARG  12   4.268  -4.807   6.313
   91    HD3  ARG  12           HD3      ARG  12   5.713  -5.423   5.512
   92    HE   ARG  12           HE       ARG  12   4.898  -5.987   8.286
   93   HH11  ARG  12          HH11      ARG  12   7.314  -6.015   5.828
   94   HH12  ARG  12          HH12      ARG  12   8.275  -7.232   6.600
   95   HH21  ARG  12          HH21      ARG  12   6.140  -7.574   9.310
   96   HH22  ARG  12          HH22      ARG  12   7.610  -8.114   8.572
   97    H    PHE  13           H        PHE  13   5.585  -4.645   2.919
   98    HA   PHE  13           HA       PHE  13   3.097  -5.478   4.185
   99    HB2  PHE  13           HB2      PHE  13   3.035  -4.207   1.431
  100    HB3  PHE  13           HB3      PHE  13   1.708  -5.131   2.133
  101    HD1  PHE  13           HD1      PHE  13   1.313  -4.344   4.780
  102    HD2  PHE  13           HD2      PHE  13   2.734  -1.906   1.538
  103    HE1  PHE  13           HE1      PHE  13   0.531  -2.316   5.954
  104    HE2  PHE  13           HE2      PHE  13   1.946   0.115   2.715
  105    HZ   PHE  13           HZ       PHE  13   0.848  -0.098   4.918
  106    H    SER  14           H        SER  14   2.888  -7.653   3.829
  107    HA   SER  14           HA       SER  14   4.612  -8.851   1.708
  108    HB2  SER  14           HB2      SER  14   4.876  -9.606   4.114
  109    HB3  SER  14           HB3      SER  14   3.242 -10.257   4.018
  110    HG   SER  14           HG       SER  14   5.605 -11.131   2.851
  111    H    LEU  15           H        LEU  15   1.738  -7.647   1.709
  112    HA   LEU  15           HA       LEU  15   0.570  -9.872   0.104
  113    HB2  LEU  15           HB2      LEU  15  -0.771  -8.239   2.267
  114    HB3  LEU  15           HB3      LEU  15  -1.697  -9.074   1.019
  115    HG   LEU  15           HG       LEU  15   0.401 -10.616   2.493
  116   HD11  LEU  15          HD11      LEU  15  -1.822 -11.150   3.978
  117   HD12  LEU  15          HD12      LEU  15  -2.033  -9.424   3.685
  118   HD13  LEU  15          HD13      LEU  15  -0.568 -10.013   4.469
  119   HD21  LEU  15          HD21      LEU  15  -0.764 -11.712   0.677
  120   HD22  LEU  15          HD22      LEU  15  -2.328 -11.205   1.311
  121   HD23  LEU  15          HD23      LEU  15  -1.366 -12.395   2.186
  122    H    LYS  16           H        LYS  16   1.029  -8.845  -1.855
  123    HA   LYS  16           HA       LYS  16   0.932  -6.152  -2.513
  124    HB2  LYS  16           HB2      LYS  16   0.220  -6.906  -4.821
  125    HB3  LYS  16           HB3      LYS  16   1.621  -7.760  -4.172
  126    HG2  LYS  16           HG2      LYS  16  -0.173  -9.442  -3.254
  127    HG3  LYS  16           HG3      LYS  16  -1.201  -8.737  -4.503
  128    HD2  LYS  16           HD2      LYS  16   1.466 -10.121  -4.883
  129    HD3  LYS  16           HD3      LYS  16  -0.107 -10.638  -5.492
  130    HE2  LYS  16           HE2      LYS  16  -0.068  -8.232  -6.626
  131    HE3  LYS  16           HE3      LYS  16   1.676  -8.444  -6.469
  132    HZ1  LYS  16           HZ1      LYS  16   0.600  -9.294  -8.581
  133    HZ2  LYS  16           HZ2      LYS  16  -0.058 -10.537  -7.634
  134    HZ3  LYS  16           HZ3      LYS  16   1.628 -10.372  -7.762
  135    H    HIS  17           H        HIS  17  -1.836  -8.401  -2.387
  136    HA   HIS  17           HA       HIS  17  -3.820  -6.572  -3.289
  137    HB2  HIS  17           HB2      HIS  17  -4.048  -9.099  -2.823
  138    HB3  HIS  17           HB3      HIS  17  -4.304  -8.642  -1.140
  139    HD1  HIS  17           HD1      HIS  17  -6.270  -6.676  -0.866
  140    HD2  HIS  17           HD2      HIS  17  -6.392  -9.070  -4.281
  141    HE1  HIS  17           HE1      HIS  17  -8.615  -6.466  -1.808
  142    HE2  HIS  17           HE2      HIS  17  -8.699  -7.919  -3.884
  143    H    GLN  18           H        GLN  18  -2.617  -7.235   0.010
  144    HA   GLN  18           HA       GLN  18  -4.344  -5.426   1.368
  145    HB2  GLN  18           HB2      GLN  18  -2.664  -7.159   2.336
  146    HB3  GLN  18           HB3      GLN  18  -1.476  -5.863   2.191
  147    HG2  GLN  18           HG2      GLN  18  -4.126  -5.482   3.598
  148    HG3  GLN  18           HG3      GLN  18  -2.675  -6.023   4.442
  149   HE21  GLN  18          HE21      GLN  18  -1.213  -4.211   2.257
  150   HE22  GLN  18          HE22      GLN  18  -1.295  -2.673   2.968
  151    H    MET  19           H        MET  19  -0.992  -4.899   0.207
  152    HA   MET  19           HA       MET  19  -0.892  -2.115   0.785
  153    HB2  MET  19           HB2      MET  19   1.007  -3.675  -0.002
  154    HB3  MET  19           HB3      MET  19   0.410  -3.373  -1.634
  155    HG2  MET  19           HG2      MET  19   1.112  -1.146   0.291
  156    HG3  MET  19           HG3      MET  19   2.269  -1.818  -0.858
  157    HE1  MET  19           HE1      MET  19  -0.010  -2.337  -3.518
  158    HE2  MET  19           HE2      MET  19   1.716  -2.323  -3.127
  159    HE3  MET  19           HE3      MET  19   1.052  -1.132  -4.243
  160    H    GLU  20           H        GLU  20  -1.822  -3.820  -2.208
  161    HA   GLU  20           HA       GLU  20  -2.518  -1.531  -3.736
  162    HB2  GLU  20           HB2      GLU  20  -2.567  -3.433  -5.039
  163    HB3  GLU  20           HB3      GLU  20  -3.247  -4.422  -3.747
  164    HG2  GLU  20           HG2      GLU  20  -5.426  -3.750  -4.189
  165    HG3  GLU  20           HG3      GLU  20  -4.917  -2.228  -4.920
  166    H    THR  21           H        THR  21  -4.322  -3.417  -1.355
  167    HA   THR  21           HA       THR  21  -6.814  -1.979  -1.710
  168    HB   THR  21           HB       THR  21  -5.723  -4.013   0.143
  169    HG1  THR  21           HG1      THR  21  -8.209  -3.433  -1.076
  170   HG21  THR  21          HG21      THR  21  -6.271  -2.398   1.834
  171   HG22  THR  21          HG22      THR  21  -7.598  -3.560   1.788
  172   HG23  THR  21          HG23      THR  21  -7.784  -1.980   1.027
  173    H    HIS  22           H        HIS  22  -3.842  -1.396  -0.061
  174    HA   HIS  22           HA       HIS  22  -4.907   0.543   1.842
  175    HB2  HIS  22           HB2      HIS  22  -2.884  -0.332   2.590
  176    HB3  HIS  22           HB3      HIS  22  -2.169  -0.330   0.978
  177    HD1  HIS  22           HD1      HIS  22  -1.975   1.458   4.052
  178    HD2  HIS  22           HD2      HIS  22  -1.921   2.600   0.043
  179    HE1  HIS  22           HE1      HIS  22  -0.957   3.776   3.982
  180    H    TYR  23           H        TYR  23  -3.638   0.636  -1.430
  181    HA   TYR  23           HA       TYR  23  -3.012   3.347  -1.723
  182    HB2  TYR  23           HB2      TYR  23  -3.919   1.190  -3.512
  183    HB3  TYR  23           HB3      TYR  23  -4.318   2.810  -4.081
  184    HD1  TYR  23           HD1      TYR  23  -1.404   1.803  -1.990
  185    HD2  TYR  23           HD2      TYR  23  -2.758   3.119  -5.848
  186    HE1  TYR  23           HE1      TYR  23   0.949   2.137  -2.702
  187    HE2  TYR  23           HE2      TYR  23  -0.406   3.451  -6.560
  188    HH   TYR  23           HH       TYR  23   2.303   2.663  -4.381
  189    H    ARG  24           H        ARG  24  -6.162   1.824  -1.395
  190    HA   ARG  24           HA       ARG  24  -7.841   3.888  -2.331
  191    HB2  ARG  24           HB2      ARG  24  -8.417   1.553  -1.267
  192    HB3  ARG  24           HB3      ARG  24  -8.470   2.462   0.244
  193    HG2  ARG  24           HG2      ARG  24 -10.653   2.779  -0.390
  194    HG3  ARG  24           HG3      ARG  24  -9.938   4.113  -1.296
  195    HD2  ARG  24           HD2      ARG  24 -11.214   2.999  -2.926
  196    HD3  ARG  24           HD3      ARG  24  -9.596   2.343  -3.178
  197    HE   ARG  24           HE       ARG  24 -11.208   0.776  -1.312
  198   HH11  ARG  24          HH11      ARG  24 -10.339   1.421  -4.584
  199   HH12  ARG  24          HH12      ARG  24 -10.755  -0.163  -5.148
  200   HH21  ARG  24          HH21      ARG  24 -11.758  -1.296  -2.028
  201   HH22  ARG  24          HH22      ARG  24 -11.561  -1.701  -3.700
  202    H    VAL  25           H        VAL  25  -5.415   4.156  -0.129
  203    HA   VAL  25           HA       VAL  25  -6.753   6.216   1.541
  204    HB   VAL  25           HB       VAL  25  -4.269   4.560   1.754
  205   HG11  VAL  25          HG11      VAL  25  -3.313   6.771   1.931
  206   HG12  VAL  25          HG12      VAL  25  -3.471   6.137   3.569
  207   HG13  VAL  25          HG13      VAL  25  -4.633   7.318   2.964
  208   HG21  VAL  25          HG21      VAL  25  -6.702   4.491   2.966
  209   HG22  VAL  25          HG22      VAL  25  -5.820   5.508   4.104
  210   HG23  VAL  25          HG23      VAL  25  -5.227   3.890   3.724
  211    H    HIS  26           H        HIS  26  -5.165   6.007  -1.354
  212    HA   HIS  26           HA       HIS  26  -3.724   8.587  -1.052
  213    HB2  HIS  26           HB2      HIS  26  -3.828   6.721  -3.439
  214    HB3  HIS  26           HB3      HIS  26  -2.712   8.063  -3.197
  215    HD1  HIS  26           HD1      HIS  26  -2.348   7.297  -0.056
  216    HD2  HIS  26           HD2      HIS  26  -1.682   4.815  -3.338
  217    HE1  HIS  26           HE1      HIS  26  -0.740   5.501   0.720
  218    H    THR  27           H        THR  27  -6.774   7.518  -1.848
  219    HA   THR  27           HA       THR  27  -7.652   8.722  -4.148
  220    HB   THR  27           HB       THR  27  -9.124   9.320  -1.589
  221    HG1  THR  27           HG1      THR  27  -8.138   6.975  -2.226
  222   HG21  THR  27          HG21      THR  27 -11.024   8.521  -3.124
  223   HG22  THR  27          HG22      THR  27  -9.845   8.608  -4.433
  224   HG23  THR  27          HG23      THR  27 -10.270  10.063  -3.530
  225    H    GLY  28           H        GLY  28  -7.308  10.496  -1.049
  226    HA2  GLY  28           HA2      GLY  28  -7.830  13.074  -2.113
  227    HA3  GLY  28           HA3      GLY  28  -6.877  12.770  -0.660
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1  12.289 -15.163  -3.019
    2    H2   MET   1           H2       MET   1  11.328 -16.404  -2.372
    3    H3   MET   1           H3       MET   1  12.047 -15.259  -1.343
    4    HA   MET   1           HA       MET   1  10.397 -14.067  -3.369
    5    HB2  MET   1           HB2      MET   1   9.273 -16.079  -1.415
    6    HB3  MET   1           HB3      MET   1   8.296 -14.752  -2.043
    7    HG2  MET   1           HG2      MET   1   8.390 -15.552  -4.243
    8    HG3  MET   1           HG3      MET   1   9.838 -16.511  -3.935
    9    HE1  MET   1           HE1      MET   1   8.502 -19.846  -3.787
   10    HE2  MET   1           HE2      MET   1   9.891 -18.893  -3.273
   11    HE3  MET   1           HE3      MET   1   9.186 -18.644  -4.876
   12    H    ARG   2           H        ARG   2  10.337 -12.001  -2.646
   13    HA   ARG   2           HA       ARG   2  10.583 -11.549   0.301
   14    HB2  ARG   2           HB2      ARG   2  11.261  -9.152  -0.716
   15    HB3  ARG   2           HB3      ARG   2  12.442 -10.440  -0.480
   16    HG2  ARG   2           HG2      ARG   2  11.990 -11.196  -2.836
   17    HG3  ARG   2           HG3      ARG   2  10.979  -9.767  -3.047
   18    HD2  ARG   2           HD2      ARG   2  13.039  -9.013  -3.852
   19    HD3  ARG   2           HD3      ARG   2  13.090  -8.478  -2.172
   20    HE   ARG   2           HE       ARG   2  14.207 -11.073  -2.242
   21   HH11  ARG   2          HH11      ARG   2  14.756  -7.913  -3.504
   22   HH12  ARG   2          HH12      ARG   2  16.477  -8.090  -3.564
   23   HH21  ARG   2          HH21      ARG   2  16.453 -11.323  -2.311
   24   HH22  ARG   2          HH22      ARG   2  17.438 -10.021  -2.888
   25    HA   PRO   3           HA       PRO   3   6.625  -9.625   0.282
   26    HB2  PRO   3           HB2      PRO   3   7.000  -7.652   2.160
   27    HB3  PRO   3           HB3      PRO   3   6.790  -9.367   2.557
   28    HG2  PRO   3           HG2      PRO   3   9.273  -7.743   2.433
   29    HG3  PRO   3           HG3      PRO   3   8.826  -9.044   3.548
   30    HD2  PRO   3           HD2      PRO   3  10.542  -9.402   1.437
   31    HD3  PRO   3           HD3      PRO   3   9.537 -10.704   2.109
   32    H    TYR   4           H        TYR   4   5.741  -7.114   0.470
   33    HA   TYR   4           HA       TYR   4   7.322  -5.530  -1.516
   34    HB2  TYR   4           HB2      TYR   4   4.876  -6.761  -2.008
   35    HB3  TYR   4           HB3      TYR   4   4.435  -5.094  -1.643
   36    HD1  TYR   4           HD1      TYR   4   6.797  -7.137  -3.701
   37    HD2  TYR   4           HD2      TYR   4   4.715  -3.406  -3.257
   38    HE1  TYR   4           HE1      TYR   4   7.573  -6.438  -5.950
   39    HE2  TYR   4           HE2      TYR   4   5.492  -2.706  -5.506
   40    HH   TYR   4           HH       TYR   4   6.605  -3.293  -7.330
   41    H    SER   5           H        SER   5   6.136  -3.187  -1.576
   42    HA   SER   5           HA       SER   5   5.299  -2.337   1.122
   43    HB2  SER   5           HB2      SER   5   7.148  -0.423   0.751
   44    HB3  SER   5           HB3      SER   5   7.501  -1.910   1.626
   45    HG   SER   5           HG       SER   5   8.744  -1.049  -0.457
   46    H    CYS   6           H        CYS   6   4.634   0.009   1.082
   47    HA   CYS   6           HA       CYS   6   3.091   0.544  -1.313
   48    HB2  CYS   6           HB2      CYS   6   2.149   1.289   0.753
   49    HB3  CYS   6           HB3      CYS   6   3.626   2.142   1.199
   50    H    SER   7           H        SER   7   3.280   2.599  -2.556
   51    HA   SER   7           HA       SER   7   6.111   3.545  -2.716
   52    HB2  SER   7           HB2      SER   7   4.317   3.335  -5.127
   53    HB3  SER   7           HB3      SER   7   6.074   3.456  -5.071
   54    HG   SER   7           HG       SER   7   5.119   1.305  -5.478
   55    H    VAL   8           H        VAL   8   3.623   4.659  -1.406
   56    HA   VAL   8           HA       VAL   8   3.772   7.331  -2.714
   57    HB   VAL   8           HB       VAL   8   1.320   5.690  -2.162
   58   HG11  VAL   8          HG11      VAL   8   0.880   7.580  -0.764
   59   HG12  VAL   8          HG12      VAL   8   0.030   7.889  -2.278
   60   HG13  VAL   8          HG13      VAL   8   1.561   8.698  -1.946
   61   HG21  VAL   8          HG21      VAL   8   2.575   6.406  -4.447
   62   HG22  VAL   8          HG22      VAL   8   1.499   7.790  -4.262
   63   HG23  VAL   8          HG23      VAL   8   0.831   6.160  -4.357
   64    H    CYS   9           H        CYS   9   2.973   5.365   0.102
   65    HA   CYS   9           HA       CYS   9   3.293   7.788   1.818
   66    HB2  CYS   9           HB2      CYS   9   2.200   6.265   3.568
   67    HB3  CYS   9           HB3      CYS   9   1.166   6.797   2.242
   68    H    GLY  10           H        GLY  10   4.401   4.508   1.197
   69    HA2  GLY  10           HA2      GLY  10   6.647   3.778   1.657
   70    HA3  GLY  10           HA3      GLY  10   6.801   5.074   2.841
   71    H    LYS  11           H        LYS  11   5.510   1.852   2.282
   72    HA   LYS  11           HA       LYS  11   5.636   1.352   5.189
   73    HB2  LYS  11           HB2      LYS  11   3.106   1.255   3.555
   74    HB3  LYS  11           HB3      LYS  11   3.308   0.204   4.958
   75    HG2  LYS  11           HG2      LYS  11   2.607   1.937   6.220
   76    HG3  LYS  11           HG3      LYS  11   4.145   2.718   5.853
   77    HD2  LYS  11           HD2      LYS  11   3.213   3.882   3.982
   78    HD3  LYS  11           HD3      LYS  11   1.739   2.914   4.030
   79    HE2  LYS  11           HE2      LYS  11   1.143   4.970   5.060
   80    HE3  LYS  11           HE3      LYS  11   1.399   3.853   6.399
   81    HZ1  LYS  11           HZ1      LYS  11   3.406   5.776   5.352
   82    HZ2  LYS  11           HZ2      LYS  11   3.634   4.716   6.656
   83    HZ3  LYS  11           HZ3      LYS  11   2.500   5.974   6.776
   84    H    ARG  12           H        ARG  12   4.752  -1.160   5.387
   85    HA   ARG  12           HA       ARG  12   6.024  -2.649   3.129
   86    HB2  ARG  12           HB2      ARG  12   6.723  -4.268   5.089
   87    HB3  ARG  12           HB3      ARG  12   7.699  -2.843   4.735
   88    HG2  ARG  12           HG2      ARG  12   7.308  -2.936   7.132
   89    HG3  ARG  12           HG3      ARG  12   6.393  -1.584   6.463
   90    HD2  ARG  12           HD2      ARG  12   4.369  -2.576   6.864
   91    HD3  ARG  12           HD3      ARG  12   4.985  -4.197   6.535
   92    HE   ARG  12           HE       ARG  12   5.886  -2.904   9.043
   93   HH11  ARG  12          HH11      ARG  12   3.879  -5.148   7.360
   94   HH12  ARG  12          HH12      ARG  12   3.517  -6.085   8.771
   95   HH21  ARG  12          HH21      ARG  12   5.427  -4.116  10.892
   96   HH22  ARG  12          HH22      ARG  12   4.395  -5.501  10.770
   97    H    PHE  13           H        PHE  13   5.130  -4.716   2.706
   98    HA   PHE  13           HA       PHE  13   2.997  -5.805   4.375
   99    HB2  PHE  13           HB2      PHE  13   2.247  -4.916   1.583
  100    HB3  PHE  13           HB3      PHE  13   1.181  -5.542   2.839
  101    HD1  PHE  13           HD1      PHE  13   0.841  -4.168   4.960
  102    HD2  PHE  13           HD2      PHE  13   2.766  -2.603   1.450
  103    HE1  PHE  13           HE1      PHE  13   0.445  -1.866   5.764
  104    HE2  PHE  13           HE2      PHE  13   2.366  -0.305   2.259
  105    HZ   PHE  13           HZ       PHE  13   1.208   0.054   4.411
  106    H    SER  14           H        SER  14   2.702  -7.993   3.904
  107    HA   SER  14           HA       SER  14   4.509  -9.100   1.821
  108    HB2  SER  14           HB2      SER  14   4.902 -10.388   3.688
  109    HB3  SER  14           HB3      SER  14   3.290 -10.112   4.342
  110    HG   SER  14           HG       SER  14   4.101 -11.880   2.284
  111    H    LEU  15           H        LEU  15   1.429  -8.035   1.978
  112    HA   LEU  15           HA       LEU  15   0.495 -10.083   0.005
  113    HB2  LEU  15           HB2      LEU  15  -0.742  -9.159   2.445
  114    HB3  LEU  15           HB3      LEU  15  -1.753  -8.726   1.065
  115    HG   LEU  15           HG       LEU  15  -1.478 -11.117   0.253
  116   HD11  LEU  15          HD11      LEU  15  -0.988 -12.318   2.781
  117   HD12  LEU  15          HD12      LEU  15   0.307 -11.153   2.506
  118   HD13  LEU  15          HD13      LEU  15   0.002 -12.428   1.326
  119   HD21  LEU  15          HD21      LEU  15  -3.006 -10.145   2.589
  120   HD22  LEU  15          HD22      LEU  15  -2.886 -11.901   2.469
  121   HD23  LEU  15          HD23      LEU  15  -3.575 -10.970   1.138
  122    H    LYS  16           H        LYS  16   1.047  -8.957  -1.862
  123    HA   LYS  16           HA       LYS  16   1.018  -6.227  -2.363
  124    HB2  LYS  16           HB2      LYS  16   0.217  -8.515  -4.177
  125    HB3  LYS  16           HB3      LYS  16   0.392  -6.855  -4.749
  126    HG2  LYS  16           HG2      LYS  16   2.735  -6.933  -3.656
  127    HG3  LYS  16           HG3      LYS  16   2.511  -8.683  -3.625
  128    HD2  LYS  16           HD2      LYS  16   1.786  -8.206  -6.175
  129    HD3  LYS  16           HD3      LYS  16   2.909  -6.866  -5.947
  130    HE2  LYS  16           HE2      LYS  16   4.290  -8.621  -6.707
  131    HE3  LYS  16           HE3      LYS  16   4.512  -8.644  -4.957
  132    HZ1  LYS  16           HZ1      LYS  16   3.546 -10.631  -4.796
  133    HZ2  LYS  16           HZ2      LYS  16   3.773 -10.761  -6.471
  134    HZ3  LYS  16           HZ3      LYS  16   2.284 -10.222  -5.856
  135    H    HIS  17           H        HIS  17  -1.758  -8.396  -2.144
  136    HA   HIS  17           HA       HIS  17  -3.697  -6.541  -3.203
  137    HB2  HIS  17           HB2      HIS  17  -3.847  -9.139  -2.631
  138    HB3  HIS  17           HB3      HIS  17  -4.454  -8.528  -1.093
  139    HD1  HIS  17           HD1      HIS  17  -6.121  -9.987  -3.492
  140    HD2  HIS  17           HD2      HIS  17  -6.152  -5.938  -2.493
  141    HE1  HIS  17           HE1      HIS  17  -8.300  -9.046  -4.378
  142    HE2  HIS  17           HE2      HIS  17  -8.329  -6.582  -3.776
  143    H    GLN  18           H        GLN  18  -2.629  -7.297   0.126
  144    HA   GLN  18           HA       GLN  18  -4.383  -5.512   1.471
  145    HB2  GLN  18           HB2      GLN  18  -2.641  -7.256   2.403
  146    HB3  GLN  18           HB3      GLN  18  -1.545  -5.875   2.397
  147    HG2  GLN  18           HG2      GLN  18  -4.284  -5.767   3.676
  148    HG3  GLN  18           HG3      GLN  18  -2.840  -6.255   4.565
  149   HE21  GLN  18          HE21      GLN  18  -1.485  -4.188   2.492
  150   HE22  GLN  18          HE22      GLN  18  -1.684  -2.716   3.312
  151    H    MET  19           H        MET  19  -1.010  -4.956   0.403
  152    HA   MET  19           HA       MET  19  -0.925  -2.183   1.025
  153    HB2  MET  19           HB2      MET  19   1.040  -3.605   0.364
  154    HB3  MET  19           HB3      MET  19   0.448  -3.566  -1.297
  155    HG2  MET  19           HG2      MET  19   0.467  -1.002  -1.056
  156    HG3  MET  19           HG3      MET  19   1.452  -1.267   0.382
  157    HE1  MET  19           HE1      MET  19   2.508  -1.847  -4.007
  158    HE2  MET  19           HE2      MET  19   1.306  -0.775  -3.275
  159    HE3  MET  19           HE3      MET  19   1.037  -2.516  -3.303
  160    H    GLU  20           H        GLU  20  -1.761  -3.840  -2.020
  161    HA   GLU  20           HA       GLU  20  -2.383  -1.546  -3.556
  162    HB2  GLU  20           HB2      GLU  20  -2.446  -3.451  -4.854
  163    HB3  GLU  20           HB3      GLU  20  -3.188  -4.417  -3.579
  164    HG2  GLU  20           HG2      GLU  20  -5.333  -3.690  -4.084
  165    HG3  GLU  20           HG3      GLU  20  -4.765  -2.182  -4.801
  166    H    THR  21           H        THR  21  -4.260  -3.352  -1.182
  167    HA   THR  21           HA       THR  21  -6.716  -1.865  -1.601
  168    HB   THR  21           HB       THR  21  -5.691  -3.847   0.378
  169    HG1  THR  21           HG1      THR  21  -6.955  -4.710  -1.126
  170   HG21  THR  21          HG21      THR  21  -7.876  -1.841   0.962
  171   HG22  THR  21          HG22      THR  21  -6.460  -2.215   1.945
  172   HG23  THR  21          HG23      THR  21  -7.762  -3.394   1.791
  173    H    HIS  22           H        HIS  22  -3.754  -1.329   0.082
  174    HA   HIS  22           HA       HIS  22  -4.806   0.651   1.951
  175    HB2  HIS  22           HB2      HIS  22  -2.808  -0.221   2.747
  176    HB3  HIS  22           HB3      HIS  22  -2.085  -0.307   1.143
  177    HD1  HIS  22           HD1      HIS  22  -2.184   1.764   4.141
  178    HD2  HIS  22           HD2      HIS  22  -1.406   2.408   0.096
  179    HE1  HIS  22           HE1      HIS  22  -0.999   3.998   3.986
  180    H    TYR  23           H        TYR  23  -3.494   0.675  -1.305
  181    HA   TYR  23           HA       TYR  23  -2.838   3.379  -1.628
  182    HB2  TYR  23           HB2      TYR  23  -3.798   1.217  -3.417
  183    HB3  TYR  23           HB3      TYR  23  -4.031   2.860  -4.014
  184    HD1  TYR  23           HD1      TYR  23  -1.336   1.364  -1.886
  185    HD2  TYR  23           HD2      TYR  23  -2.349   3.293  -5.588
  186    HE1  TYR  23           HE1      TYR  23   1.070   1.496  -2.477
  187    HE2  TYR  23           HE2      TYR  23   0.055   3.426  -6.178
  188    HH   TYR  23           HH       TYR  23   2.377   1.647  -4.828
  189    H    ARG  24           H        ARG  24  -6.005   1.864  -1.385
  190    HA   ARG  24           HA       ARG  24  -7.641   3.949  -2.360
  191    HB2  ARG  24           HB2      ARG  24  -9.404   2.920  -1.217
  192    HB3  ARG  24           HB3      ARG  24  -8.251   1.590  -1.347
  193    HG2  ARG  24           HG2      ARG  24  -7.351   2.288   0.921
  194    HG3  ARG  24           HG3      ARG  24  -8.733   3.378   1.048
  195    HD2  ARG  24           HD2      ARG  24  -9.850   0.943   0.251
  196    HD3  ARG  24           HD3      ARG  24  -8.623   0.494   1.436
  197    HE   ARG  24           HE       ARG  24 -11.111   1.809   2.034
  198   HH11  ARG  24          HH11      ARG  24  -7.748   1.721   2.782
  199   HH12  ARG  24          HH12      ARG  24  -7.957   2.292   4.404
  200   HH21  ARG  24          HH21      ARG  24 -11.405   2.558   4.146
  201   HH22  ARG  24          HH22      ARG  24 -10.029   2.765   5.176
  202    H    VAL  25           H        VAL  25  -5.278   4.250  -0.134
  203    HA   VAL  25           HA       VAL  25  -6.708   6.218   1.573
  204    HB   VAL  25           HB       VAL  25  -4.158   4.661   1.784
  205   HG11  VAL  25          HG11      VAL  25  -3.317   6.906   2.059
  206   HG12  VAL  25          HG12      VAL  25  -3.483   6.212   3.672
  207   HG13  VAL  25          HG13      VAL  25  -4.688   7.353   3.075
  208   HG21  VAL  25          HG21      VAL  25  -6.478   5.382   3.592
  209   HG22  VAL  25          HG22      VAL  25  -5.027   4.578   4.192
  210   HG23  VAL  25          HG23      VAL  25  -6.035   3.787   2.980
  211    H    HIS  26           H        HIS  26  -5.066   6.127  -1.302
  212    HA   HIS  26           HA       HIS  26  -3.699   8.734  -0.923
  213    HB2  HIS  26           HB2      HIS  26  -3.798   6.993  -3.401
  214    HB3  HIS  26           HB3      HIS  26  -2.672   8.308  -3.066
  215    HD1  HIS  26           HD1      HIS  26  -2.241   7.392  -0.006
  216    HD2  HIS  26           HD2      HIS  26  -1.748   5.013  -3.395
  217    HE1  HIS  26           HE1      HIS  26  -0.674   5.516   0.657
  218    H    THR  27           H        THR  27  -6.290   7.225  -2.834
  219    HA   THR  27           HA       THR  27  -8.082   8.198  -3.992
  220    HB   THR  27           HB       THR  27  -7.697  10.873  -2.790
  221    HG1  THR  27           HG1      THR  27  -7.391   8.610  -1.342
  222   HG21  THR  27          HG21      THR  27 -10.045   9.051  -2.396
  223   HG22  THR  27          HG22      THR  27  -9.748   9.736  -3.994
  224   HG23  THR  27          HG23      THR  27 -10.015  10.801  -2.613
  225    H    GLY  28           H        GLY  28  -8.349  10.926  -4.846
  226    HA2  GLY  28           HA2      GLY  28  -6.389  10.888  -7.043
  227    HA3  GLY  28           HA3      GLY  28  -7.784  11.961  -6.917
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1   8.586 -15.880  -2.391
    2    H2   MET   1           H2       MET   1   9.983 -16.667  -1.833
    3    H3   MET   1           H3       MET   1  10.076 -15.592  -3.146
    4    HA   MET   1           HA       MET   1   9.097 -14.637  -0.540
    5    HB2  MET   1           HB2      MET   1  11.949 -15.179  -1.367
    6    HB3  MET   1           HB3      MET   1  11.557 -13.920  -0.195
    7    HG2  MET   1           HG2      MET   1  11.315 -15.456   1.431
    8    HG3  MET   1           HG3      MET   1  10.117 -16.324   0.471
    9    HE1  MET   1           HE1      MET   1  10.687 -18.952   0.543
   10    HE2  MET   1           HE2      MET   1  11.638 -19.263  -0.907
   11    HE3  MET   1           HE3      MET   1  10.350 -18.051  -0.933
   12    H    ARG   2           H        ARG   2   7.907 -13.110  -1.804
   13    HA   ARG   2           HA       ARG   2   9.631 -11.004  -3.017
   14    HB2  ARG   2           HB2      ARG   2   7.377 -10.904  -4.587
   15    HB3  ARG   2           HB3      ARG   2   8.889 -11.683  -5.055
   16    HG2  ARG   2           HG2      ARG   2   8.094 -13.824  -4.172
   17    HG3  ARG   2           HG3      ARG   2   6.603 -13.063  -3.616
   18    HD2  ARG   2           HD2      ARG   2   5.681 -13.099  -5.686
   19    HD3  ARG   2           HD3      ARG   2   7.177 -12.562  -6.451
   20    HE   ARG   2           HE       ARG   2   6.337 -15.348  -6.071
   21   HH11  ARG   2          HH11      ARG   2   8.878 -13.086  -6.635
   22   HH12  ARG   2          HH12      ARG   2   9.928 -14.248  -7.376
   23   HH21  ARG   2          HH21      ARG   2   7.695 -16.879  -7.032
   24   HH22  ARG   2          HH22      ARG   2   9.258 -16.395  -7.601
   25    HA   PRO   3           HA       PRO   3   6.482  -9.353  -0.022
   26    HB2  PRO   3           HB2      PRO   3   8.234  -7.686   1.275
   27    HB3  PRO   3           HB3      PRO   3   7.956  -9.374   1.740
   28    HG2  PRO   3           HG2      PRO   3  10.200  -8.177   0.212
   29    HG3  PRO   3           HG3      PRO   3  10.205  -9.513   1.376
   30    HD2  PRO   3           HD2      PRO   3  10.313  -9.861  -1.357
   31    HD3  PRO   3           HD3      PRO   3   9.690 -11.082  -0.227
   32    H    TYR   4           H        TYR   4   5.891  -6.977   0.335
   33    HA   TYR   4           HA       TYR   4   6.855  -5.268  -1.919
   34    HB2  TYR   4           HB2      TYR   4   4.281  -6.437  -1.689
   35    HB3  TYR   4           HB3      TYR   4   4.089  -4.720  -1.333
   36    HD1  TYR   4           HD1      TYR   4   6.158  -3.458  -2.967
   37    HD2  TYR   4           HD2      TYR   4   3.557  -6.746  -3.903
   38    HE1  TYR   4           HE1      TYR   4   6.361  -2.932  -5.382
   39    HE2  TYR   4           HE2      TYR   4   3.761  -6.219  -6.318
   40    HH   TYR   4           HH       TYR   4   4.430  -3.714  -7.601
   41    H    SER   5           H        SER   5   5.596  -2.963  -1.466
   42    HA   SER   5           HA       SER   5   5.441  -2.243   1.354
   43    HB2  SER   5           HB2      SER   5   7.388  -0.468   0.807
   44    HB3  SER   5           HB3      SER   5   7.732  -2.043   1.517
   45    HG   SER   5           HG       SER   5   7.533  -1.866  -1.261
   46    H    CYS   6           H        CYS   6   4.833   0.065   1.579
   47    HA   CYS   6           HA       CYS   6   3.095   0.916  -0.560
   48    HB2  CYS   6           HB2      CYS   6   3.631   1.690   2.157
   49    HB3  CYS   6           HB3      CYS   6   3.631   3.127   1.135
   50    H    SER   7           H        SER   7   3.708   1.941  -2.389
   51    HA   SER   7           HA       SER   7   6.365   3.272  -2.454
   52    HB2  SER   7           HB2      SER   7   5.710   1.574  -4.213
   53    HB3  SER   7           HB3      SER   7   4.482   2.709  -4.762
   54    HG   SER   7           HG       SER   7   7.148   2.685  -5.221
   55    H    VAL   8           H        VAL   8   3.667   4.327  -1.330
   56    HA   VAL   8           HA       VAL   8   3.832   6.951  -2.747
   57    HB   VAL   8           HB       VAL   8   1.340   5.436  -1.928
   58   HG11  VAL   8          HG11      VAL   8   0.388   7.434  -1.505
   59   HG12  VAL   8          HG12      VAL   8   0.628   7.838  -3.204
   60   HG13  VAL   8          HG13      VAL   8   1.843   8.292  -2.009
   61   HG21  VAL   8          HG21      VAL   8   0.876   5.292  -4.196
   62   HG22  VAL   8          HG22      VAL   8   2.638   5.218  -4.235
   63   HG23  VAL   8          HG23      VAL   8   1.811   6.736  -4.586
   64    H    CYS   9           H        CYS   9   3.284   5.134   0.198
   65    HA   CYS   9           HA       CYS   9   3.463   7.702   1.719
   66    HB2  CYS   9           HB2      CYS   9   2.113   6.626   3.476
   67    HB3  CYS   9           HB3      CYS   9   1.243   6.643   1.942
   68    H    GLY  10           H        GLY  10   4.830   4.629   1.096
   69    HA2  GLY  10           HA2      GLY  10   6.949   3.867   1.860
   70    HA3  GLY  10           HA3      GLY  10   6.946   5.153   3.067
   71    H    LYS  11           H        LYS  11   6.658   1.852   2.663
   72    HA   LYS  11           HA       LYS  11   6.286   1.270   5.396
   73    HB2  LYS  11           HB2      LYS  11   3.872   2.107   4.258
   74    HB3  LYS  11           HB3      LYS  11   3.755   0.348   4.289
   75    HG2  LYS  11           HG2      LYS  11   4.559   2.045   6.668
   76    HG3  LYS  11           HG3      LYS  11   2.931   1.425   6.397
   77    HD2  LYS  11           HD2      LYS  11   3.904  -0.894   6.316
   78    HD3  LYS  11           HD3      LYS  11   5.454  -0.202   6.799
   79    HE2  LYS  11           HE2      LYS  11   3.040   0.472   8.432
   80    HE3  LYS  11           HE3      LYS  11   3.746  -1.133   8.616
   81    HZ1  LYS  11           HZ1      LYS  11   5.931   0.375   8.681
   82    HZ2  LYS  11           HZ2      LYS  11   5.061  -0.060  10.070
   83    HZ3  LYS  11           HZ3      LYS  11   4.815   1.463   9.358
   84    H    ARG  12           H        ARG  12   5.304  -1.189   5.518
   85    HA   ARG  12           HA       ARG  12   6.534  -2.649   3.214
   86    HB2  ARG  12           HB2      ARG  12   8.063  -3.132   4.884
   87    HB3  ARG  12           HB3      ARG  12   6.863  -2.986   6.168
   88    HG2  ARG  12           HG2      ARG  12   6.705  -5.212   4.138
   89    HG3  ARG  12           HG3      ARG  12   7.709  -5.363   5.580
   90    HD2  ARG  12           HD2      ARG  12   5.156  -4.336   6.371
   91    HD3  ARG  12           HD3      ARG  12   4.894  -5.756   5.359
   92    HE   ARG  12           HE       ARG  12   6.870  -6.579   7.101
   93   HH11  ARG  12          HH11      ARG  12   3.781  -5.077   7.392
   94   HH12  ARG  12          HH12      ARG  12   3.432  -5.784   8.934
   95   HH21  ARG  12          HH21      ARG  12   6.434  -7.512   9.114
   96   HH22  ARG  12          HH22      ARG  12   4.935  -7.163   9.910
   97    H    PHE  13           H        PHE  13   5.480  -4.578   2.571
   98    HA   PHE  13           HA       PHE  13   3.136  -5.544   4.031
   99    HB2  PHE  13           HB2      PHE  13   2.791  -4.296   1.286
  100    HB3  PHE  13           HB3      PHE  13   1.540  -5.136   2.202
  101    HD1  PHE  13           HD1      PHE  13   1.341  -4.232   4.761
  102    HD2  PHE  13           HD2      PHE  13   2.775  -1.974   1.399
  103    HE1  PHE  13           HE1      PHE  13   0.796  -2.129   5.935
  104    HE2  PHE  13           HE2      PHE  13   2.227   0.123   2.577
  105    HZ   PHE  13           HZ       PHE  13   1.239   0.039   4.839
  106    H    SER  14           H        SER  14   2.953  -7.712   3.630
  107    HA   SER  14           HA       SER  14   4.539  -8.808   1.355
  108    HB2  SER  14           HB2      SER  14   4.265  -9.595   4.070
  109    HB3  SER  14           HB3      SER  14   3.479 -10.840   3.103
  110    HG   SER  14           HG       SER  14   5.350 -11.225   2.066
  111    H    LEU  15           H        LEU  15   1.640  -7.666   1.606
  112    HA   LEU  15           HA       LEU  15   0.391  -9.889   0.051
  113    HB2  LEU  15           HB2      LEU  15  -0.540  -8.626   2.519
  114    HB3  LEU  15           HB3      LEU  15  -1.733  -8.524   1.224
  115    HG   LEU  15           HG       LEU  15  -0.312 -11.109   1.869
  116   HD11  LEU  15          HD11      LEU  15  -1.731  -9.931   3.789
  117   HD12  LEU  15          HD12      LEU  15  -1.866 -11.665   3.493
  118   HD13  LEU  15          HD13      LEU  15  -3.085 -10.563   2.852
  119   HD21  LEU  15          HD21      LEU  15  -1.800 -10.442  -0.274
  120   HD22  LEU  15          HD22      LEU  15  -3.096 -10.917   0.823
  121   HD23  LEU  15          HD23      LEU  15  -1.820 -12.065   0.416
  122    H    LYS  16           H        LYS  16   0.727  -8.902  -1.952
  123    HA   LYS  16           HA       LYS  16   0.634  -6.215  -2.639
  124    HB2  LYS  16           HB2      LYS  16  -0.803  -8.073  -4.478
  125    HB3  LYS  16           HB3      LYS  16   0.478  -6.911  -4.830
  126    HG2  LYS  16           HG2      LYS  16   1.855  -8.605  -3.247
  127    HG3  LYS  16           HG3      LYS  16   0.680  -9.736  -3.920
  128    HD2  LYS  16           HD2      LYS  16   1.303  -9.089  -6.191
  129    HD3  LYS  16           HD3      LYS  16   2.413  -7.869  -5.565
  130    HE2  LYS  16           HE2      LYS  16   2.710 -10.735  -4.711
  131    HE3  LYS  16           HE3      LYS  16   3.358 -10.210  -6.265
  132    HZ1  LYS  16           HZ1      LYS  16   3.959  -8.895  -3.674
  133    HZ2  LYS  16           HZ2      LYS  16   4.669  -8.555  -5.175
  134    HZ3  LYS  16           HZ3      LYS  16   4.963 -10.046  -4.417
  135    H    HIS  17           H        HIS  17  -2.143  -8.407  -2.220
  136    HA   HIS  17           HA       HIS  17  -4.145  -6.527  -3.037
  137    HB2  HIS  17           HB2      HIS  17  -4.075  -9.099  -1.568
  138    HB3  HIS  17           HB3      HIS  17  -5.450  -8.059  -1.195
  139    HD1  HIS  17           HD1      HIS  17  -7.199  -7.680  -3.034
  140    HD2  HIS  17           HD2      HIS  17  -3.942  -9.944  -4.325
  141    HE1  HIS  17           HE1      HIS  17  -7.829  -8.613  -5.305
  142    HE2  HIS  17           HE2      HIS  17  -5.852  -9.990  -6.100
  143    H    GLN  18           H        GLN  18  -2.779  -7.291   0.176
  144    HA   GLN  18           HA       GLN  18  -4.395  -5.504   1.682
  145    HB2  GLN  18           HB2      GLN  18  -2.915  -7.146   2.756
  146    HB3  GLN  18           HB3      GLN  18  -1.499  -6.299   2.129
  147    HG2  GLN  18           HG2      GLN  18  -3.548  -4.915   3.866
  148    HG3  GLN  18           HG3      GLN  18  -2.168  -5.772   4.553
  149   HE21  GLN  18          HE21      GLN  18  -0.350  -5.058   2.305
  150   HE22  GLN  18          HE22      GLN  18   0.003  -3.408   2.493
  151    H    MET  19           H        MET  19  -1.128  -4.952   0.314
  152    HA   MET  19           HA       MET  19  -1.024  -2.168   0.939
  153    HB2  MET  19           HB2      MET  19   0.910  -3.606   0.178
  154    HB3  MET  19           HB3      MET  19   0.244  -3.530  -1.453
  155    HG2  MET  19           HG2      MET  19   0.401  -1.071  -1.410
  156    HG3  MET  19           HG3      MET  19   1.060  -1.136   0.224
  157    HE1  MET  19           HE1      MET  19   3.038  -2.139  -3.753
  158    HE2  MET  19           HE2      MET  19   1.509  -1.311  -3.424
  159    HE3  MET  19           HE3      MET  19   1.627  -3.058  -3.233
  160    H    GLU  20           H        GLU  20  -1.991  -3.863  -2.047
  161    HA   GLU  20           HA       GLU  20  -2.695  -1.611  -3.595
  162    HB2  GLU  20           HB2      GLU  20  -2.822  -3.589  -4.801
  163    HB3  GLU  20           HB3      GLU  20  -3.598  -4.461  -3.479
  164    HG2  GLU  20           HG2      GLU  20  -5.705  -3.670  -4.005
  165    HG3  GLU  20           HG3      GLU  20  -5.081  -2.188  -4.732
  166    H    THR  21           H        THR  21  -4.477  -3.337  -1.083
  167    HA   THR  21           HA       THR  21  -6.925  -1.811  -1.428
  168    HB   THR  21           HB       THR  21  -5.838  -3.640   0.707
  169    HG1  THR  21           HG1      THR  21  -6.933  -4.318  -1.289
  170   HG21  THR  21          HG21      THR  21  -8.071  -3.297   1.864
  171   HG22  THR  21          HG22      THR  21  -8.278  -1.861   0.860
  172   HG23  THR  21          HG23      THR  21  -6.938  -1.952   2.004
  173    H    HIS  22           H        HIS  22  -3.895  -1.345   0.148
  174    HA   HIS  22           HA       HIS  22  -4.821   0.728   1.990
  175    HB2  HIS  22           HB2      HIS  22  -2.847  -0.316   2.724
  176    HB3  HIS  22           HB3      HIS  22  -2.123  -0.288   1.116
  177    HD1  HIS  22           HD1      HIS  22  -2.535   1.739   4.199
  178    HD2  HIS  22           HD2      HIS  22  -1.137   2.323   0.314
  179    HE1  HIS  22           HE1      HIS  22  -1.275   3.937   4.212
  180    H    TYR  23           H        TYR  23  -3.559   0.585  -1.282
  181    HA   TYR  23           HA       TYR  23  -2.855   3.312  -1.623
  182    HB2  TYR  23           HB2      TYR  23  -3.692   1.103  -3.451
  183    HB3  TYR  23           HB3      TYR  23  -3.711   2.748  -4.086
  184    HD1  TYR  23           HD1      TYR  23  -1.444   1.052  -1.630
  185    HD2  TYR  23           HD2      TYR  23  -1.812   3.042  -5.419
  186    HE1  TYR  23           HE1      TYR  23   1.019   0.976  -1.909
  187    HE2  TYR  23           HE2      TYR  23   0.652   2.966  -5.698
  188    HH   TYR  23           HH       TYR  23   2.711   1.260  -3.378
  189    H    ARG  24           H        ARG  24  -6.000   1.670  -1.961
  190    HA   ARG  24           HA       ARG  24  -7.542   3.757  -3.001
  191    HB2  ARG  24           HB2      ARG  24  -8.175   1.682  -0.897
  192    HB3  ARG  24           HB3      ARG  24  -9.389   2.835  -1.453
  193    HG2  ARG  24           HG2      ARG  24  -8.089   1.762  -3.758
  194    HG3  ARG  24           HG3      ARG  24  -8.544   0.412  -2.719
  195    HD2  ARG  24           HD2      ARG  24 -10.398   2.633  -3.631
  196    HD3  ARG  24           HD3      ARG  24 -10.379   0.987  -4.265
  197    HE   ARG  24           HE       ARG  24 -11.677   1.813  -1.841
  198   HH11  ARG  24          HH11      ARG  24  -9.733  -0.662  -3.247
  199   HH12  ARG  24          HH12      ARG  24 -10.346  -1.913  -2.219
  200   HH21  ARG  24          HH21      ARG  24 -12.490   0.194  -0.489
  201   HH22  ARG  24          HH22      ARG  24 -11.908  -1.429  -0.658
  202    H    VAL  25           H        VAL  25  -5.606   3.857  -0.299
  203    HA   VAL  25           HA       VAL  25  -7.247   5.859   1.147
  204    HB   VAL  25           HB       VAL  25  -5.548   3.874   2.027
  205   HG11  VAL  25          HG11      VAL  25  -4.062   6.482   2.416
  206   HG12  VAL  25          HG12      VAL  25  -3.644   5.331   1.147
  207   HG13  VAL  25          HG13      VAL  25  -3.526   4.858   2.841
  208   HG21  VAL  25          HG21      VAL  25  -6.631   6.403   3.234
  209   HG22  VAL  25          HG22      VAL  25  -5.562   5.382   4.194
  210   HG23  VAL  25          HG23      VAL  25  -7.077   4.729   3.568
  211    H    HIS  26           H        HIS  26  -5.291   5.859  -1.454
  212    HA   HIS  26           HA       HIS  26  -3.819   8.344  -0.769
  213    HB2  HIS  26           HB2      HIS  26  -3.726   6.576  -3.234
  214    HB3  HIS  26           HB3      HIS  26  -2.699   7.983  -2.954
  215    HD1  HIS  26           HD1      HIS  26  -2.464   7.214   0.219
  216    HD2  HIS  26           HD2      HIS  26  -1.440   4.833  -3.047
  217    HE1  HIS  26           HE1      HIS  26  -0.768   5.533   1.062
  218    H    THR  27           H        THR  27  -6.288   7.095  -2.992
  219    HA   THR  27           HA       THR  27  -7.609   9.640  -3.181
  220    HB   THR  27           HB       THR  27  -5.931  10.445  -4.616
  221    HG1  THR  27           HG1      THR  27  -8.063   9.250  -5.977
  222   HG21  THR  27          HG21      THR  27  -4.395   8.927  -5.269
  223   HG22  THR  27          HG22      THR  27  -5.470   8.563  -6.619
  224   HG23  THR  27          HG23      THR  27  -5.551   7.601  -5.142
  225    H    GLY  28           H        GLY  28  -9.628   9.409  -4.239
  226    HA2  GLY  28           HA2      GLY  28 -10.249   7.153  -5.938
  227    HA3  GLY  28           HA3      GLY  28 -10.839   6.889  -4.296
  Start of MODEL   13
    1    H1   MET   1           H1       MET   1   8.113 -13.096  -5.658
    2    H2   MET   1           H2       MET   1   8.139 -11.787  -4.576
    3    H3   MET   1           H3       MET   1   7.326 -13.220  -4.160
    4    HA   MET   1           HA       MET   1   9.329 -14.429  -3.951
    5    HB2  MET   1           HB2      MET   1  10.323 -12.187  -5.590
    6    HB3  MET   1           HB3      MET   1  11.425 -12.692  -4.309
    7    HG2  MET   1           HG2      MET   1  11.143 -15.066  -5.103
    8    HG3  MET   1           HG3      MET   1  10.227 -14.441  -6.473
    9    HE1  MET   1           HE1      MET   1  12.235 -16.242  -6.626
   10    HE2  MET   1           HE2      MET   1  13.943 -15.814  -6.685
   11    HE3  MET   1           HE3      MET   1  12.944 -15.684  -8.140
   12    H    ARG   2           H        ARG   2   9.863 -10.924  -3.419
   13    HA   ARG   2           HA       ARG   2  10.041 -11.543  -0.498
   14    HB2  ARG   2           HB2      ARG   2  11.398  -9.410  -0.390
   15    HB3  ARG   2           HB3      ARG   2  12.159 -10.712  -1.306
   16    HG2  ARG   2           HG2      ARG   2  11.402  -9.728  -3.408
   17    HG3  ARG   2           HG3      ARG   2  10.527  -8.469  -2.533
   18    HD2  ARG   2           HD2      ARG   2  12.572  -7.532  -1.678
   19    HD3  ARG   2           HD3      ARG   2  13.513  -8.899  -2.272
   20    HE   ARG   2           HE       ARG   2  12.116  -7.546  -4.423
   21   HH11  ARG   2          HH11      ARG   2  14.837  -7.493  -2.306
   22   HH12  ARG   2          HH12      ARG   2  15.833  -6.581  -3.392
   23   HH21  ARG   2          HH21      ARG   2  13.402  -6.357  -5.854
   24   HH22  ARG   2          HH22      ARG   2  15.020  -5.940  -5.400
   25    HA   PRO   3           HA       PRO   3   6.494  -9.197   0.596
   26    HB2  PRO   3           HB2      PRO   3   8.383  -7.444   2.124
   27    HB3  PRO   3           HB3      PRO   3   6.871  -8.204   2.657
   28    HG2  PRO   3           HG2      PRO   3   9.289  -9.178   3.313
   29    HG3  PRO   3           HG3      PRO   3   7.868 -10.209   3.082
   30    HD2  PRO   3           HD2      PRO   3  10.272  -9.961   1.391
   31    HD3  PRO   3           HD3      PRO   3   9.053 -11.252   1.430
   32    H    TYR   4           H        TYR   4   5.525  -7.029   0.306
   33    HA   TYR   4           HA       TYR   4   7.045  -5.423  -1.704
   34    HB2  TYR   4           HB2      TYR   4   4.423  -6.487  -1.748
   35    HB3  TYR   4           HB3      TYR   4   4.245  -4.741  -1.564
   36    HD1  TYR   4           HD1      TYR   4   6.404  -7.155  -3.473
   37    HD2  TYR   4           HD2      TYR   4   4.172  -3.485  -3.518
   38    HE1  TYR   4           HE1      TYR   4   6.965  -6.843  -5.869
   39    HE2  TYR   4           HE2      TYR   4   4.734  -3.174  -5.914
   40    HH   TYR   4           HH       TYR   4   7.006  -5.300  -7.560
   41    H    SER   5           H        SER   5   5.946  -3.027  -1.661
   42    HA   SER   5           HA       SER   5   5.521  -2.099   1.103
   43    HB2  SER   5           HB2      SER   5   7.997  -1.509  -0.499
   44    HB3  SER   5           HB3      SER   5   7.382  -0.316   0.642
   45    HG   SER   5           HG       SER   5   7.531  -1.876   2.267
   46    H    CYS   6           H        CYS   6   4.755   0.128   1.157
   47    HA   CYS   6           HA       CYS   6   3.126   0.784  -1.152
   48    HB2  CYS   6           HB2      CYS   6   2.821   1.336   1.438
   49    HB3  CYS   6           HB3      CYS   6   3.665   2.813   0.976
   50    H    SER   7           H        SER   7   3.484   2.333  -2.723
   51    HA   SER   7           HA       SER   7   6.198   3.572  -2.721
   52    HB2  SER   7           HB2      SER   7   4.416   3.478  -5.136
   53    HB3  SER   7           HB3      SER   7   6.175   3.479  -5.053
   54    HG   SER   7           HG       SER   7   4.385   1.397  -4.923
   55    H    VAL   8           H        VAL   8   3.894   4.655  -1.238
   56    HA   VAL   8           HA       VAL   8   3.883   7.342  -2.493
   57    HB   VAL   8           HB       VAL   8   1.480   5.620  -1.976
   58   HG11  VAL   8          HG11      VAL   8   1.739   8.564  -1.450
   59   HG12  VAL   8          HG12      VAL   8   0.817   7.350  -0.563
   60   HG13  VAL   8          HG13      VAL   8   0.231   7.939  -2.118
   61   HG21  VAL   8          HG21      VAL   8   0.729   6.898  -4.036
   62   HG22  VAL   8          HG22      VAL   8   2.158   5.891  -4.271
   63   HG23  VAL   8          HG23      VAL   8   2.331   7.635  -4.074
   64    H    CYS   9           H        CYS   9   3.131   5.269   0.268
   65    HA   CYS   9           HA       CYS   9   3.385   7.645   2.057
   66    HB2  CYS   9           HB2      CYS   9   2.407   6.004   3.771
   67    HB3  CYS   9           HB3      CYS   9   1.324   6.538   2.486
   68    H    GLY  10           H        GLY  10   4.672   4.456   1.319
   69    HA2  GLY  10           HA2      GLY  10   6.945   3.812   1.751
   70    HA3  GLY  10           HA3      GLY  10   7.059   5.106   2.945
   71    H    LYS  11           H        LYS  11   5.660   1.897   2.371
   72    HA   LYS  11           HA       LYS  11   6.009   1.309   5.247
   73    HB2  LYS  11           HB2      LYS  11   3.368   1.283   3.790
   74    HB3  LYS  11           HB3      LYS  11   3.649   0.230   5.177
   75    HG2  LYS  11           HG2      LYS  11   3.057   1.983   6.471
   76    HG3  LYS  11           HG3      LYS  11   4.596   2.716   6.018
   77    HD2  LYS  11           HD2      LYS  11   3.577   3.867   4.152
   78    HD3  LYS  11           HD3      LYS  11   2.056   3.005   4.391
   79    HE2  LYS  11           HE2      LYS  11   2.388   4.078   6.863
   80    HE3  LYS  11           HE3      LYS  11   3.174   5.313   5.879
   81    HZ1  LYS  11           HZ1      LYS  11   1.174   6.052   5.337
   82    HZ2  LYS  11           HZ2      LYS  11   0.422   4.792   6.188
   83    HZ3  LYS  11           HZ3      LYS  11   0.847   4.577   4.558
   84    H    ARG  12           H        ARG  12   5.063  -1.203   5.426
   85    HA   ARG  12           HA       ARG  12   6.139  -2.642   3.040
   86    HB2  ARG  12           HB2      ARG  12   7.972  -3.001   4.356
   87    HB3  ARG  12           HB3      ARG  12   7.083  -2.708   5.851
   88    HG2  ARG  12           HG2      ARG  12   6.614  -5.186   4.189
   89    HG3  ARG  12           HG3      ARG  12   7.874  -5.121   5.422
   90    HD2  ARG  12           HD2      ARG  12   5.512  -4.048   6.587
   91    HD3  ARG  12           HD3      ARG  12   5.055  -5.543   5.773
   92    HE   ARG  12           HE       ARG  12   6.514  -6.754   7.250
   93   HH11  ARG  12          HH11      ARG  12   6.586  -3.329   7.652
   94   HH12  ARG  12          HH12      ARG  12   7.394  -3.393   9.182
   95   HH21  ARG  12          HH21      ARG  12   7.568  -6.855   9.247
   96   HH22  ARG  12          HH22      ARG  12   7.950  -5.388  10.085
   97    H    PHE  13           H        PHE  13   5.195  -4.662   2.625
   98    HA   PHE  13           HA       PHE  13   3.289  -5.861   4.490
   99    HB2  PHE  13           HB2      PHE  13   2.169  -4.991   1.825
  100    HB3  PHE  13           HB3      PHE  13   1.297  -5.554   3.250
  101    HD1  PHE  13           HD1      PHE  13   3.301  -2.744   1.866
  102    HD2  PHE  13           HD2      PHE  13   0.659  -4.046   4.995
  103    HE1  PHE  13           HE1      PHE  13   3.047  -0.413   2.628
  104    HE2  PHE  13           HE2      PHE  13   0.412  -1.706   5.755
  105    HZ   PHE  13           HZ       PHE  13   1.604   0.100   4.567
  106    H    SER  14           H        SER  14   2.782  -8.017   3.861
  107    HA   SER  14           HA       SER  14   4.455  -9.033   1.610
  108    HB2  SER  14           HB2      SER  14   4.968 -10.142   3.683
  109    HB3  SER  14           HB3      SER  14   3.261 -10.381   4.046
  110    HG   SER  14           HG       SER  14   3.256 -12.076   2.799
  111    H    LEU  15           H        LEU  15   1.464  -7.934   1.954
  112    HA   LEU  15           HA       LEU  15   0.289 -10.060   0.207
  113    HB2  LEU  15           HB2      LEU  15  -0.847  -8.508   2.489
  114    HB3  LEU  15           HB3      LEU  15  -1.917  -8.846   1.127
  115    HG   LEU  15           HG       LEU  15  -1.243 -11.269   1.301
  116   HD11  LEU  15          HD11      LEU  15  -0.425 -11.471   3.941
  117   HD12  LEU  15          HD12      LEU  15   0.491 -10.085   3.349
  118   HD13  LEU  15          HD13      LEU  15   0.622 -11.642   2.532
  119   HD21  LEU  15          HD21      LEU  15  -2.596  -9.865   3.617
  120   HD22  LEU  15          HD22      LEU  15  -2.546 -11.623   3.479
  121   HD23  LEU  15          HD23      LEU  15  -3.356 -10.664   2.240
  122    H    LYS  16           H        LYS  16   0.723  -9.135  -1.793
  123    HA   LYS  16           HA       LYS  16   0.828  -6.459  -2.518
  124    HB2  LYS  16           HB2      LYS  16  -0.366  -8.755  -4.099
  125    HB3  LYS  16           HB3      LYS  16   0.048  -7.183  -4.785
  126    HG2  LYS  16           HG2      LYS  16   2.402  -7.513  -4.002
  127    HG3  LYS  16           HG3      LYS  16   1.960  -9.135  -3.472
  128    HD2  LYS  16           HD2      LYS  16   2.779  -9.577  -5.605
  129    HD3  LYS  16           HD3      LYS  16   1.060  -9.369  -5.942
  130    HE2  LYS  16           HE2      LYS  16   1.405  -7.082  -6.642
  131    HE3  LYS  16           HE3      LYS  16   3.088  -7.126  -6.117
  132    HZ1  LYS  16           HZ1      LYS  16   3.484  -7.681  -8.232
  133    HZ2  LYS  16           HZ2      LYS  16   1.883  -8.151  -8.530
  134    HZ3  LYS  16           HZ3      LYS  16   2.959  -9.232  -7.779
  135    H    HIS  17           H        HIS  17  -2.117  -8.483  -2.344
  136    HA   HIS  17           HA       HIS  17  -3.953  -6.462  -3.156
  137    HB2  HIS  17           HB2      HIS  17  -4.223  -9.074  -2.518
  138    HB3  HIS  17           HB3      HIS  17  -4.822  -8.349  -1.025
  139    HD1  HIS  17           HD1      HIS  17  -7.314  -8.287  -1.177
  140    HD2  HIS  17           HD2      HIS  17  -5.529  -7.232  -4.797
  141    HE1  HIS  17           HE1      HIS  17  -9.196  -7.634  -2.743
  142    HE2  HIS  17           HE2      HIS  17  -8.121  -6.990  -4.948
  143    H    GLN  18           H        GLN  18  -2.735  -7.338   0.084
  144    HA   GLN  18           HA       GLN  18  -4.265  -5.506   1.600
  145    HB2  GLN  18           HB2      GLN  18  -2.692  -7.271   2.509
  146    HB3  GLN  18           HB3      GLN  18  -1.356  -6.191   2.108
  147    HG2  GLN  18           HG2      GLN  18  -3.685  -5.352   3.850
  148    HG3  GLN  18           HG3      GLN  18  -2.190  -6.024   4.502
  149   HE21  GLN  18          HE21      GLN  18  -0.589  -4.691   2.280
  150   HE22  GLN  18          HE22      GLN  18  -0.499  -3.058   2.735
  151    H    MET  19           H        MET  19  -0.993  -5.028   0.221
  152    HA   MET  19           HA       MET  19  -0.794  -2.261   0.875
  153    HB2  MET  19           HB2      MET  19   0.964  -3.968  -0.124
  154    HB3  MET  19           HB3      MET  19   0.390  -3.331  -1.666
  155    HG2  MET  19           HG2      MET  19   0.799  -1.003  -0.710
  156    HG3  MET  19           HG3      MET  19   1.648  -1.794   0.617
  157    HE1  MET  19           HE1      MET  19   2.153  -0.309  -2.991
  158    HE2  MET  19           HE2      MET  19   1.086  -1.719  -3.053
  159    HE3  MET  19           HE3      MET  19   2.668  -1.770  -3.828
  160    H    GLU  20           H        GLU  20  -1.883  -3.873  -2.115
  161    HA   GLU  20           HA       GLU  20  -2.559  -1.537  -3.571
  162    HB2  GLU  20           HB2      GLU  20  -2.702  -3.428  -4.888
  163    HB3  GLU  20           HB3      GLU  20  -3.418  -4.395  -3.600
  164    HG2  GLU  20           HG2      GLU  20  -5.563  -3.608  -4.007
  165    HG3  GLU  20           HG3      GLU  20  -4.986  -2.100  -4.716
  166    H    THR  21           H        THR  21  -4.366  -3.404  -1.169
  167    HA   THR  21           HA       THR  21  -6.826  -1.926  -1.425
  168    HB   THR  21           HB       THR  21  -5.641  -3.804   0.577
  169    HG1  THR  21           HG1      THR  21  -7.476  -3.805  -1.329
  170   HG21  THR  21          HG21      THR  21  -7.806  -1.788   1.150
  171   HG22  THR  21          HG22      THR  21  -6.427  -2.237   2.153
  172   HG23  THR  21          HG23      THR  21  -7.782  -3.350   1.969
  173    H    HIS  22           H        HIS  22  -3.778  -1.291   0.081
  174    HA   HIS  22           HA       HIS  22  -4.778   0.725   1.942
  175    HB2  HIS  22           HB2      HIS  22  -2.721  -0.203   2.609
  176    HB3  HIS  22           HB3      HIS  22  -2.044  -0.102   0.985
  177    HD1  HIS  22           HD1      HIS  22  -2.428   1.806   4.126
  178    HD2  HIS  22           HD2      HIS  22  -1.331   2.615   0.186
  179    HE1  HIS  22           HE1      HIS  22  -1.331   4.089   4.142
  180    H    TYR  23           H        TYR  23  -3.456   0.714  -1.334
  181    HA   TYR  23           HA       TYR  23  -2.983   3.454  -1.710
  182    HB2  TYR  23           HB2      TYR  23  -3.720   1.183  -3.467
  183    HB3  TYR  23           HB3      TYR  23  -4.056   2.788  -4.115
  184    HD1  TYR  23           HD1      TYR  23  -1.322   1.485  -1.902
  185    HD2  TYR  23           HD2      TYR  23  -2.365   3.372  -5.618
  186    HE1  TYR  23           HE1      TYR  23   1.083   1.781  -2.426
  187    HE2  TYR  23           HE2      TYR  23   0.042   3.667  -6.142
  188    HH   TYR  23           HH       TYR  23   2.565   2.566  -3.872
  189    H    ARG  24           H        ARG  24  -6.038   1.709  -1.542
  190    HA   ARG  24           HA       ARG  24  -7.796   3.618  -2.626
  191    HB2  ARG  24           HB2      ARG  24  -7.987   1.439  -0.651
  192    HB3  ARG  24           HB3      ARG  24  -9.178   2.719  -0.419
  193    HG2  ARG  24           HG2      ARG  24  -9.945   2.498  -2.712
  194    HG3  ARG  24           HG3      ARG  24  -8.664   1.340  -3.067
  195    HD2  ARG  24           HD2      ARG  24 -11.258   0.805  -2.019
  196    HD3  ARG  24           HD3      ARG  24  -9.960  -0.345  -2.337
  197    HE   ARG  24           HE       ARG  24  -9.655   1.095   0.191
  198   HH11  ARG  24          HH11      ARG  24 -11.012  -1.587  -1.498
  199   HH12  ARG  24          HH12      ARG  24 -11.146  -2.579  -0.085
  200   HH21  ARG  24          HH21      ARG  24  -9.823  -0.186   2.047
  201   HH22  ARG  24          HH22      ARG  24 -10.473  -1.787   1.922
  202    H    VAL  25           H        VAL  25  -5.528   4.180  -0.335
  203    HA   VAL  25           HA       VAL  25  -7.135   6.150   1.203
  204    HB   VAL  25           HB       VAL  25  -4.534   4.730   1.605
  205   HG11  VAL  25          HG11      VAL  25  -3.980   6.440   3.399
  206   HG12  VAL  25          HG12      VAL  25  -5.188   7.494   2.664
  207   HG13  VAL  25          HG13      VAL  25  -3.765   7.008   1.743
  208   HG21  VAL  25          HG21      VAL  25  -7.036   4.549   2.707
  209   HG22  VAL  25          HG22      VAL  25  -6.230   5.610   3.864
  210   HG23  VAL  25          HG23      VAL  25  -5.560   4.017   3.513
  211    H    HIS  26           H        HIS  26  -4.884   5.886  -1.379
  212    HA   HIS  26           HA       HIS  26  -3.868   8.623  -1.173
  213    HB2  HIS  26           HB2      HIS  26  -3.729   6.736  -3.540
  214    HB3  HIS  26           HB3      HIS  26  -2.689   8.125  -3.220
  215    HD1  HIS  26           HD1      HIS  26  -2.499   7.352  -0.064
  216    HD2  HIS  26           HD2      HIS  26  -1.511   4.928  -3.308
  217    HE1  HIS  26           HE1      HIS  26  -0.861   5.629   0.804
  218    H    THR  27           H        THR  27  -6.847   7.989  -1.476
  219    HA   THR  27           HA       THR  27  -7.599   8.934  -4.112
  220    HB   THR  27           HB       THR  27  -9.871   9.177  -3.062
  221    HG1  THR  27           HG1      THR  27  -8.328   8.522  -0.794
  222   HG21  THR  27          HG21      THR  27  -9.343   7.051  -4.026
  223   HG22  THR  27          HG22      THR  27 -10.054   6.716  -2.447
  224   HG23  THR  27          HG23      THR  27  -8.306   6.620  -2.666
  225    H    GLY  28           H        GLY  28  -9.415  10.678  -1.909
  226    HA2  GLY  28           HA2      GLY  28  -9.548  12.968  -1.417
  227    HA3  GLY  28           HA3      GLY  28  -7.783  12.976  -1.434
  Start of MODEL   14
    1    H1   MET   1           H1       MET   1  11.590 -12.216  -6.469
    2    H2   MET   1           H2       MET   1  12.249 -12.977  -5.100
    3    H3   MET   1           H3       MET   1  12.056 -11.290  -5.126
    4    HA   MET   1           HA       MET   1   9.603 -11.668  -5.357
    5    HB2  MET   1           HB2      MET   1  10.085 -14.128  -6.032
    6    HB3  MET   1           HB3      MET   1  10.250 -14.417  -4.299
    7    HG2  MET   1           HG2      MET   1   7.998 -14.706  -4.334
    8    HG3  MET   1           HG3      MET   1   7.930 -12.946  -4.409
    9    HE1  MET   1           HE1      MET   1   5.540 -14.649  -5.415
   10    HE2  MET   1           HE2      MET   1   6.644 -15.994  -5.697
   11    HE3  MET   1           HE3      MET   1   5.656 -15.363  -7.022
   12    H    ARG   2           H        ARG   2  10.486 -10.066  -3.719
   13    HA   ARG   2           HA       ARG   2  10.572 -11.257  -0.979
   14    HB2  ARG   2           HB2      ARG   2  11.327  -8.566  -0.799
   15    HB3  ARG   2           HB3      ARG   2  12.407  -9.960  -0.761
   16    HG2  ARG   2           HG2      ARG   2  12.796  -9.846  -3.116
   17    HG3  ARG   2           HG3      ARG   2  11.471  -8.705  -3.349
   18    HD2  ARG   2           HD2      ARG   2  12.971  -7.039  -3.132
   19    HD3  ARG   2           HD3      ARG   2  13.150  -7.505  -1.440
   20    HE   ARG   2           HE       ARG   2  15.202  -8.563  -1.991
   21   HH11  ARG   2          HH11      ARG   2  13.354  -7.675  -4.763
   22   HH12  ARG   2          HH12      ARG   2  14.626  -8.018  -5.887
   23   HH21  ARG   2          HH21      ARG   2  16.877  -9.012  -3.443
   24   HH22  ARG   2          HH22      ARG   2  16.621  -8.773  -5.139
   25    HA   PRO   3           HA       PRO   3   6.853  -9.501   0.553
   26    HB2  PRO   3           HB2      PRO   3   8.493  -7.492   2.056
   27    HB3  PRO   3           HB3      PRO   3   7.178  -8.533   2.635
   28    HG2  PRO   3           HG2      PRO   3   9.753  -9.087   3.121
   29    HG3  PRO   3           HG3      PRO   3   8.538 -10.352   2.877
   30    HD2  PRO   3           HD2      PRO   3  10.751  -9.532   1.094
   31    HD3  PRO   3           HD3      PRO   3   9.840 -11.056   1.131
   32    H    TYR   4           H        TYR   4   5.480  -7.557   0.403
   33    HA   TYR   4           HA       TYR   4   6.398  -5.760  -1.766
   34    HB2  TYR   4           HB2      TYR   4   3.960  -6.992  -1.203
   35    HB3  TYR   4           HB3      TYR   4   3.694  -5.304  -0.765
   36    HD1  TYR   4           HD1      TYR   4   5.163  -7.413  -3.495
   37    HD2  TYR   4           HD2      TYR   4   3.205  -3.740  -2.435
   38    HE1  TYR   4           HE1      TYR   4   4.985  -6.815  -5.895
   39    HE2  TYR   4           HE2      TYR   4   3.026  -3.143  -4.835
   40    HH   TYR   4           HH       TYR   4   4.252  -3.725  -6.969
   41    H    SER   5           H        SER   5   5.236  -3.421  -1.403
   42    HA   SER   5           HA       SER   5   5.343  -2.442   1.337
   43    HB2  SER   5           HB2      SER   5   7.270  -0.773   0.279
   44    HB3  SER   5           HB3      SER   5   7.587  -2.111   1.379
   45    HG   SER   5           HG       SER   5   8.795  -2.668  -0.296
   46    H    CYS   6           H        CYS   6   4.805  -0.113   1.417
   47    HA   CYS   6           HA       CYS   6   2.858   0.611  -0.565
   48    HB2  CYS   6           HB2      CYS   6   3.836   1.668   1.934
   49    HB3  CYS   6           HB3      CYS   6   3.705   2.970   0.752
   50    H    SER   7           H        SER   7   2.986   2.550  -1.985
   51    HA   SER   7           HA       SER   7   5.783   3.141  -2.861
   52    HB2  SER   7           HB2      SER   7   3.392   2.377  -4.535
   53    HB3  SER   7           HB3      SER   7   4.751   3.263  -5.219
   54    HG   SER   7           HG       SER   7   5.451   1.099  -3.672
   55    H    VAL   8           H        VAL   8   3.314   4.490  -1.376
   56    HA   VAL   8           HA       VAL   8   3.719   7.109  -2.744
   57    HB   VAL   8           HB       VAL   8   1.165   5.662  -2.249
   58   HG11  VAL   8          HG11      VAL   8   1.595   8.591  -1.639
   59   HG12  VAL   8          HG12      VAL   8   0.780   7.376  -0.651
   60   HG13  VAL   8          HG13      VAL   8   0.019   7.967  -2.130
   61   HG21  VAL   8          HG21      VAL   8   0.642   6.468  -4.349
   62   HG22  VAL   8          HG22      VAL   8   2.401   6.513  -4.467
   63   HG23  VAL   8          HG23      VAL   8   1.503   7.985  -4.097
   64    H    CYS   9           H        CYS   9   2.937   5.277   0.148
   65    HA   CYS   9           HA       CYS   9   3.422   7.733   1.776
   66    HB2  CYS   9           HB2      CYS   9   2.326   6.107   3.571
   67    HB3  CYS   9           HB3      CYS   9   1.323   7.037   2.459
   68    H    GLY  10           H        GLY  10   4.708   4.735   0.835
   69    HA2  GLY  10           HA2      GLY  10   6.769   3.762   1.445
   70    HA3  GLY  10           HA3      GLY  10   6.985   5.057   2.622
   71    H    LYS  11           H        LYS  11   6.600   1.798   2.397
   72    HA   LYS  11           HA       LYS  11   6.325   1.349   5.170
   73    HB2  LYS  11           HB2      LYS  11   3.877   2.127   4.066
   74    HB3  LYS  11           HB3      LYS  11   3.766   0.370   4.177
   75    HG2  LYS  11           HG2      LYS  11   4.667   2.139   6.464
   76    HG3  LYS  11           HG3      LYS  11   3.006   1.584   6.254
   77    HD2  LYS  11           HD2      LYS  11   3.902  -0.781   6.205
   78    HD3  LYS  11           HD3      LYS  11   5.469  -0.123   6.681
   79    HE2  LYS  11           HE2      LYS  11   4.621   0.667   8.762
   80    HE3  LYS  11           HE3      LYS  11   2.948   0.441   8.250
   81    HZ1  LYS  11           HZ1      LYS  11   3.521  -1.988   8.052
   82    HZ2  LYS  11           HZ2      LYS  11   3.453  -1.371   9.631
   83    HZ3  LYS  11           HZ3      LYS  11   4.958  -1.638   8.889
   84    H    ARG  12           H        ARG  12   5.305  -1.101   5.422
   85    HA   ARG  12           HA       ARG  12   6.478  -2.682   3.172
   86    HB2  ARG  12           HB2      ARG  12   7.336  -4.278   4.808
   87    HB3  ARG  12           HB3      ARG  12   7.935  -2.667   5.198
   88    HG2  ARG  12           HG2      ARG  12   7.199  -3.480   7.281
   89    HG3  ARG  12           HG3      ARG  12   5.844  -2.493   6.731
   90    HD2  ARG  12           HD2      ARG  12   4.476  -4.282   6.700
   91    HD3  ARG  12           HD3      ARG  12   5.608  -5.193   5.703
   92    HE   ARG  12           HE       ARG  12   6.002  -6.407   7.678
   93   HH11  ARG  12          HH11      ARG  12   5.586  -3.041   8.308
   94   HH12  ARG  12          HH12      ARG  12   5.930  -3.181  10.000
   95   HH21  ARG  12          HH21      ARG  12   6.451  -6.605   9.886
   96   HH22  ARG  12          HH22      ARG  12   6.418  -5.196  10.892
   97    H    PHE  13           H        PHE  13   5.476  -4.743   2.788
   98    HA   PHE  13           HA       PHE  13   3.140  -5.575   4.319
   99    HB2  PHE  13           HB2      PHE  13   2.738  -4.528   1.497
  100    HB3  PHE  13           HB3      PHE  13   1.507  -5.298   2.500
  101    HD1  PHE  13           HD1      PHE  13   1.213  -4.209   4.923
  102    HD2  PHE  13           HD2      PHE  13   2.867  -2.199   1.503
  103    HE1  PHE  13           HE1      PHE  13   0.687  -2.023   5.947
  104    HE2  PHE  13           HE2      PHE  13   2.336  -0.018   2.532
  105    HZ   PHE  13           HZ       PHE  13   1.249   0.061   4.748
  106    H    SER  14           H        SER  14   2.902  -7.768   4.039
  107    HA   SER  14           HA       SER  14   4.650  -9.068   2.036
  108    HB2  SER  14           HB2      SER  14   2.920 -10.304   4.198
  109    HB3  SER  14           HB3      SER  14   4.141 -11.137   3.240
  110    HG   SER  14           HG       SER  14   5.699  -9.766   4.162
  111    H    LEU  15           H        LEU  15   1.619  -7.835   1.994
  112    HA   LEU  15           HA       LEU  15   0.729  -9.877   0.003
  113    HB2  LEU  15           HB2      LEU  15  -0.732  -8.714   2.329
  114    HB3  LEU  15           HB3      LEU  15  -1.647  -8.958   0.841
  115    HG   LEU  15           HG       LEU  15  -0.726 -11.325   0.797
  116   HD11  LEU  15          HD11      LEU  15   0.925 -11.787   2.260
  117   HD12  LEU  15          HD12      LEU  15  -0.272 -11.680   3.551
  118   HD13  LEU  15          HD13      LEU  15   0.671 -10.258   3.104
  119   HD21  LEU  15          HD21      LEU  15  -2.459 -12.136   2.191
  120   HD22  LEU  15          HD22      LEU  15  -3.013 -10.529   1.720
  121   HD23  LEU  15          HD23      LEU  15  -2.304 -10.784   3.314
  122    H    LYS  16           H        LYS  16   1.377  -8.624  -1.772
  123    HA   LYS  16           HA       LYS  16   1.206  -5.877  -2.148
  124    HB2  LYS  16           HB2      LYS  16   0.703  -6.472  -4.610
  125    HB3  LYS  16           HB3      LYS  16   2.183  -7.129  -3.909
  126    HG2  LYS  16           HG2      LYS  16   1.210  -9.280  -3.606
  127    HG3  LYS  16           HG3      LYS  16  -0.419  -8.665  -3.887
  128    HD2  LYS  16           HD2      LYS  16   1.805  -8.774  -5.947
  129    HD3  LYS  16           HD3      LYS  16   0.416  -9.860  -5.877
  130    HE2  LYS  16           HE2      LYS  16  -0.851  -7.458  -5.836
  131    HE3  LYS  16           HE3      LYS  16   0.571  -7.044  -6.793
  132    HZ1  LYS  16           HZ1      LYS  16  -0.937  -7.816  -8.353
  133    HZ2  LYS  16           HZ2      LYS  16  -1.510  -9.059  -7.352
  134    HZ3  LYS  16           HZ3      LYS  16   0.030  -9.182  -8.062
  135    H    HIS  17           H        HIS  17  -1.419  -8.256  -2.578
  136    HA   HIS  17           HA       HIS  17  -3.390  -6.441  -3.529
  137    HB2  HIS  17           HB2      HIS  17  -3.678  -8.932  -1.820
  138    HB3  HIS  17           HB3      HIS  17  -5.034  -8.082  -2.564
  139    HD1  HIS  17           HD1      HIS  17  -3.785  -7.415  -5.306
  140    HD2  HIS  17           HD2      HIS  17  -3.492 -11.160  -3.493
  141    HE1  HIS  17           HE1      HIS  17  -3.335  -9.079  -7.164
  142    HE2  HIS  17           HE2      HIS  17  -3.159 -11.362  -6.071
  143    H    GLN  18           H        GLN  18  -2.524  -7.374  -0.193
  144    HA   GLN  18           HA       GLN  18  -4.478  -5.803   1.144
  145    HB2  GLN  18           HB2      GLN  18  -3.006  -7.460   2.280
  146    HB3  GLN  18           HB3      GLN  18  -1.634  -6.378   2.037
  147    HG2  GLN  18           HG2      GLN  18  -4.148  -5.536   3.496
  148    HG3  GLN  18           HG3      GLN  18  -2.745  -6.218   4.319
  149   HE21  GLN  18          HE21      GLN  18  -0.890  -4.887   2.299
  150   HE22  GLN  18          HE22      GLN  18  -0.843  -3.256   2.769
  151    H    MET  19           H        MET  19  -1.109  -4.977   0.280
  152    HA   MET  19           HA       MET  19  -1.204  -2.259   1.124
  153    HB2  MET  19           HB2      MET  19   0.845  -3.590   0.419
  154    HB3  MET  19           HB3      MET  19   0.346  -3.316  -1.250
  155    HG2  MET  19           HG2      MET  19   0.821  -1.102   0.766
  156    HG3  MET  19           HG3      MET  19   2.011  -1.630  -0.423
  157    HE1  MET  19           HE1      MET  19   1.309  -2.081  -2.843
  158    HE2  MET  19           HE2      MET  19   2.164  -0.532  -2.802
  159    HE3  MET  19           HE3      MET  19   0.712  -0.716  -3.785
  160    H    GLU  20           H        GLU  20  -1.804  -3.720  -2.071
  161    HA   GLU  20           HA       GLU  20  -2.427  -1.384  -3.511
  162    HB2  GLU  20           HB2      GLU  20  -2.498  -3.127  -4.967
  163    HB3  GLU  20           HB3      GLU  20  -3.026  -4.260  -3.724
  164    HG2  GLU  20           HG2      GLU  20  -5.297  -3.660  -3.973
  165    HG3  GLU  20           HG3      GLU  20  -4.899  -2.167  -4.824
  166    H    THR  21           H        THR  21  -4.405  -3.302  -1.302
  167    HA   THR  21           HA       THR  21  -6.849  -1.814  -1.795
  168    HB   THR  21           HB       THR  21  -5.908  -3.777   0.271
  169    HG1  THR  21           HG1      THR  21  -6.916  -4.426  -1.680
  170   HG21  THR  21          HG21      THR  21  -8.164  -1.809   0.562
  171   HG22  THR  21          HG22      THR  21  -6.978  -2.319   1.763
  172   HG23  THR  21          HG23      THR  21  -8.280  -3.411   1.292
  173    H    HIS  22           H        HIS  22  -3.980  -1.327   0.046
  174    HA   HIS  22           HA       HIS  22  -5.128   0.617   1.903
  175    HB2  HIS  22           HB2      HIS  22  -3.210  -0.072   2.906
  176    HB3  HIS  22           HB3      HIS  22  -2.486  -0.571   1.379
  177    HD1  HIS  22           HD1      HIS  22  -2.798   2.361   3.694
  178    HD2  HIS  22           HD2      HIS  22  -0.966   1.453   0.061
  179    HE1  HIS  22           HE1      HIS  22  -1.183   4.252   3.213
  180    H    TYR  23           H        TYR  23  -3.624   0.690  -1.261
  181    HA   TYR  23           HA       TYR  23  -2.888   3.376  -1.505
  182    HB2  TYR  23           HB2      TYR  23  -3.456   1.205  -3.287
  183    HB3  TYR  23           HB3      TYR  23  -4.246   2.652  -3.908
  184    HD1  TYR  23           HD1      TYR  23  -1.057   2.135  -2.005
  185    HD2  TYR  23           HD2      TYR  23  -2.922   3.585  -5.591
  186    HE1  TYR  23           HE1      TYR  23   1.131   2.991  -2.797
  187    HE2  TYR  23           HE2      TYR  23  -0.734   4.441  -6.383
  188    HH   TYR  23           HH       TYR  23   1.395   4.848  -5.813
  189    H    ARG  24           H        ARG  24  -6.130   1.949  -1.594
  190    HA   ARG  24           HA       ARG  24  -7.628   4.114  -2.559
  191    HB2  ARG  24           HB2      ARG  24  -8.130   1.783  -0.891
  192    HB3  ARG  24           HB3      ARG  24  -9.094   3.162  -0.362
  193    HG2  ARG  24           HG2      ARG  24 -10.202   3.345  -2.409
  194    HG3  ARG  24           HG3      ARG  24  -8.921   2.512  -3.290
  195    HD2  ARG  24           HD2      ARG  24 -11.121   1.213  -2.829
  196    HD3  ARG  24           HD3      ARG  24  -9.592   0.393  -2.512
  197    HE   ARG  24           HE       ARG  24 -10.293   1.652  -0.104
  198   HH11  ARG  24          HH11      ARG  24 -11.591  -0.663  -2.304
  199   HH12  ARG  24          HH12      ARG  24 -12.459  -1.534  -1.084
  200   HH21  ARG  24          HH21      ARG  24 -11.417   0.526   1.503
  201   HH22  ARG  24          HH22      ARG  24 -12.359  -0.862   1.072
  202    H    VAL  25           H        VAL  25  -5.428   4.208  -0.115
  203    HA   VAL  25           HA       VAL  25  -6.848   6.269   1.486
  204    HB   VAL  25           HB       VAL  25  -4.337   4.638   1.860
  205   HG11  VAL  25          HG11      VAL  25  -3.531   6.748   2.540
  206   HG12  VAL  25          HG12      VAL  25  -4.141   6.046   4.037
  207   HG13  VAL  25          HG13      VAL  25  -5.100   7.246   3.172
  208   HG21  VAL  25          HG21      VAL  25  -5.462   4.121   4.019
  209   HG22  VAL  25          HG22      VAL  25  -6.463   3.690   2.633
  210   HG23  VAL  25          HG23      VAL  25  -6.807   5.158   3.548
  211    H    HIS  26           H        HIS  26  -5.266   6.233  -1.324
  212    HA   HIS  26           HA       HIS  26  -3.583   8.626  -0.776
  213    HB2  HIS  26           HB2      HIS  26  -3.778   6.902  -3.265
  214    HB3  HIS  26           HB3      HIS  26  -2.616   8.202  -2.993
  215    HD1  HIS  26           HD1      HIS  26  -2.498   7.140   0.183
  216    HD2  HIS  26           HD2      HIS  26  -1.445   5.114  -3.305
  217    HE1  HIS  26           HE1      HIS  26  -0.877   5.324   0.874
  218    H    THR  27           H        THR  27  -6.599   7.676  -2.129
  219    HA   THR  27           HA       THR  27  -6.900  10.420  -3.283
  220    HB   THR  27           HB       THR  27  -8.208   7.887  -4.319
  221    HG1  THR  27           HG1      THR  27  -6.521   7.681  -5.526
  222   HG21  THR  27          HG21      THR  27  -9.454  10.043  -4.625
  223   HG22  THR  27          HG22      THR  27  -8.965   9.291  -6.143
  224   HG23  THR  27          HG23      THR  27  -8.063  10.668  -5.510
  225    H    GLY  28           H        GLY  28  -9.508   8.117  -3.261
  226    HA2  GLY  28           HA2      GLY  28 -11.459   9.642  -2.109
  227    HA3  GLY  28           HA3      GLY  28 -11.365   7.909  -1.795
  Start of MODEL   15
    1    H1   MET   1           H1       MET   1  15.346  -8.368  -0.010
    2    H2   MET   1           H2       MET   1  15.405  -6.680  -0.204
    3    H3   MET   1           H3       MET   1  14.798  -7.662  -1.451
    4    HA   MET   1           HA       MET   1  13.506  -7.775   1.179
    5    HB2  MET   1           HB2      MET   1  13.554  -5.456  -0.689
    6    HB3  MET   1           HB3      MET   1  11.979  -5.924  -0.046
    7    HG2  MET   1           HG2      MET   1  12.642  -5.558   2.184
    8    HG3  MET   1           HG3      MET   1  14.357  -5.619   1.779
    9    HE1  MET   1           HE1      MET   1  11.349  -2.330   0.770
   10    HE2  MET   1           HE2      MET   1  11.279  -3.189   2.307
   11    HE3  MET   1           HE3      MET   1  11.112  -4.076   0.785
   12    H    ARG   2           H        ARG   2  11.964  -9.314   0.941
   13    HA   ARG   2           HA       ARG   2  11.200 -10.156  -1.793
   14    HB2  ARG   2           HB2      ARG   2  11.590 -11.506   0.655
   15    HB3  ARG   2           HB3      ARG   2   9.860 -11.605   0.323
   16    HG2  ARG   2           HG2      ARG   2  10.351 -12.443  -1.952
   17    HG3  ARG   2           HG3      ARG   2  12.077 -12.372  -1.599
   18    HD2  ARG   2           HD2      ARG   2  11.700 -14.573  -1.036
   19    HD3  ARG   2           HD3      ARG   2  11.305 -13.828   0.513
   20    HE   ARG   2           HE       ARG   2   9.031 -14.085  -1.326
   21   HH11  ARG   2          HH11      ARG   2  10.949 -15.442   1.198
   22   HH12  ARG   2          HH12      ARG   2   9.696 -16.494   1.766
   23   HH21  ARG   2          HH21      ARG   2   7.384 -15.451  -0.599
   24   HH22  ARG   2          HH22      ARG   2   7.677 -16.499   0.749
   25    HA   PRO   3           HA       PRO   3   6.960  -9.064   0.473
   26    HB2  PRO   3           HB2      PRO   3   7.980  -6.864   2.188
   27    HB3  PRO   3           HB3      PRO   3   6.794  -8.128   2.561
   28    HG2  PRO   3           HG2      PRO   3   9.274  -8.163   3.566
   29    HG3  PRO   3           HG3      PRO   3   8.398  -9.647   3.155
   30    HD2  PRO   3           HD2      PRO   3  10.641  -8.318   1.692
   31    HD3  PRO   3           HD3      PRO   3  10.248 -10.046   1.829
   32    H    TYR   4           H        TYR   4   5.734  -6.787   0.449
   33    HA   TYR   4           HA       TYR   4   6.964  -5.202  -1.768
   34    HB2  TYR   4           HB2      TYR   4   4.446  -6.442  -1.588
   35    HB3  TYR   4           HB3      TYR   4   4.129  -4.721  -1.366
   36    HD1  TYR   4           HD1      TYR   4   5.563  -7.262  -3.643
   37    HD2  TYR   4           HD2      TYR   4   4.514  -3.127  -3.141
   38    HE1  TYR   4           HE1      TYR   4   5.872  -6.888  -6.075
   39    HE2  TYR   4           HE2      TYR   4   4.825  -2.753  -5.574
   40    HH   TYR   4           HH       TYR   4   5.907  -5.393  -7.713
   41    H    SER   5           H        SER   5   5.433  -2.919  -1.637
   42    HA   SER   5           HA       SER   5   5.450  -1.922   1.135
   43    HB2  SER   5           HB2      SER   5   7.749  -1.512   0.626
   44    HB3  SER   5           HB3      SER   5   7.361  -0.939  -0.993
   45    HG   SER   5           HG       SER   5   6.692   0.932  -0.185
   46    H    CYS   6           H        CYS   6   4.687   0.421   1.160
   47    HA   CYS   6           HA       CYS   6   2.303   0.653  -0.430
   48    HB2  CYS   6           HB2      CYS   6   3.452   1.981   1.805
   49    HB3  CYS   6           HB3      CYS   6   3.114   3.212   0.588
   50    H    SER   7           H        SER   7   5.591   1.646  -0.939
   51    HA   SER   7           HA       SER   7   6.595   2.876  -2.671
   52    HB2  SER   7           HB2      SER   7   4.340   2.266  -4.507
   53    HB3  SER   7           HB3      SER   7   6.071   2.032  -4.736
   54    HG   SER   7           HG       SER   7   5.487   0.019  -4.370
   55    H    VAL   8           H        VAL   8   4.158   4.066  -1.068
   56    HA   VAL   8           HA       VAL   8   4.044   6.524  -2.728
   57    HB   VAL   8           HB       VAL   8   1.791   4.714  -2.188
   58   HG11  VAL   8          HG11      VAL   8   0.211   6.695  -1.861
   59   HG12  VAL   8          HG12      VAL   8   1.634   7.642  -1.431
   60   HG13  VAL   8          HG13      VAL   8   1.176   6.247  -0.456
   61   HG21  VAL   8          HG21      VAL   8   2.342   5.387  -4.438
   62   HG22  VAL   8          HG22      VAL   8   2.302   7.093  -3.993
   63   HG23  VAL   8          HG23      VAL   8   0.810   6.154  -4.022
   64    H    CYS   9           H        CYS   9   3.309   4.901   0.328
   65    HA   CYS   9           HA       CYS   9   3.556   7.520   1.728
   66    HB2  CYS   9           HB2      CYS   9   2.846   5.329   3.457
   67    HB3  CYS   9           HB3      CYS   9   1.905   6.765   3.055
   68    H    GLY  10           H        GLY  10   4.802   4.196   1.661
   69    HA2  GLY  10           HA2      GLY  10   7.252   3.925   1.984
   70    HA3  GLY  10           HA3      GLY  10   7.153   5.170   3.229
   71    H    LYS  11           H        LYS  11   5.256   2.200   2.593
   72    HA   LYS  11           HA       LYS  11   5.943   1.341   5.374
   73    HB2  LYS  11           HB2      LYS  11   3.285   1.385   3.961
   74    HB3  LYS  11           HB3      LYS  11   3.593   0.203   5.234
   75    HG2  LYS  11           HG2      LYS  11   2.730   1.957   6.486
   76    HG3  LYS  11           HG3      LYS  11   4.452   2.334   6.555
   77    HD2  LYS  11           HD2      LYS  11   4.020   3.708   4.396
   78    HD3  LYS  11           HD3      LYS  11   2.318   3.604   4.848
   79    HE2  LYS  11           HE2      LYS  11   2.751   5.457   6.090
   80    HE3  LYS  11           HE3      LYS  11   3.473   4.322   7.230
   81    HZ1  LYS  11           HZ1      LYS  11   4.745   6.216   5.449
   82    HZ2  LYS  11           HZ2      LYS  11   5.478   4.687   5.502
   83    HZ3  LYS  11           HZ3      LYS  11   5.283   5.584   6.931
   84    H    ARG  12           H        ARG  12   5.159  -1.170   5.493
   85    HA   ARG  12           HA       ARG  12   6.243  -2.478   3.029
   86    HB2  ARG  12           HB2      ARG  12   7.604  -3.872   4.287
   87    HB3  ARG  12           HB3      ARG  12   7.661  -2.406   5.266
   88    HG2  ARG  12           HG2      ARG  12   7.179  -4.129   6.821
   89    HG3  ARG  12           HG3      ARG  12   5.617  -3.372   6.507
   90    HD2  ARG  12           HD2      ARG  12   4.791  -5.321   5.746
   91    HD3  ARG  12           HD3      ARG  12   6.073  -5.418   4.539
   92    HE   ARG  12           HE       ARG  12   6.031  -6.806   7.119
   93   HH11  ARG  12          HH11      ARG  12   7.870  -5.560   4.483
   94   HH12  ARG  12          HH12      ARG  12   9.206  -6.633   4.733
   95   HH21  ARG  12          HH21      ARG  12   7.765  -8.216   7.462
   96   HH22  ARG  12          HH22      ARG  12   9.146  -8.138   6.420
   97    H    PHE  13           H        PHE  13   5.250  -4.434   2.420
   98    HA   PHE  13           HA       PHE  13   3.176  -5.620   4.121
   99    HB2  PHE  13           HB2      PHE  13   2.380  -4.522   1.415
  100    HB3  PHE  13           HB3      PHE  13   1.328  -5.258   2.625
  101    HD1  PHE  13           HD1      PHE  13   1.049  -4.092   4.880
  102    HD2  PHE  13           HD2      PHE  13   2.899  -2.209   1.490
  103    HE1  PHE  13           HE1      PHE  13   0.698  -1.875   5.914
  104    HE2  PHE  13           HE2      PHE  13   2.543   0.003   2.525
  105    HZ   PHE  13           HZ       PHE  13   1.445   0.161   4.733
  106    H    SER  14           H        SER  14   3.101  -7.789   3.708
  107    HA   SER  14           HA       SER  14   4.657  -8.796   1.396
  108    HB2  SER  14           HB2      SER  14   5.232  -9.946   3.385
  109    HB3  SER  14           HB3      SER  14   3.553 -10.052   3.910
  110    HG   SER  14           HG       SER  14   4.344 -11.230   1.484
  111    H    LEU  15           H        LEU  15   1.588  -7.815   1.874
  112    HA   LEU  15           HA       LEU  15   0.465  -9.924   0.073
  113    HB2  LEU  15           HB2      LEU  15  -0.919  -8.174   2.128
  114    HB3  LEU  15           HB3      LEU  15  -1.769  -9.211   0.982
  115    HG   LEU  15           HG       LEU  15   0.402 -10.449   2.614
  116   HD11  LEU  15          HD11      LEU  15  -0.599  -9.497   4.472
  117   HD12  LEU  15          HD12      LEU  15  -1.629 -10.915   4.275
  118   HD13  LEU  15          HD13      LEU  15  -2.166  -9.346   3.679
  119   HD21  LEU  15          HD21      LEU  15  -2.327 -11.300   1.594
  120   HD22  LEU  15          HD22      LEU  15  -1.270 -12.332   2.559
  121   HD23  LEU  15          HD23      LEU  15  -0.757 -11.797   0.958
  122    H    LYS  16           H        LYS  16   0.877  -8.946  -1.917
  123    HA   LYS  16           HA       LYS  16   0.868  -6.250  -2.592
  124    HB2  LYS  16           HB2      LYS  16  -0.526  -7.709  -4.658
  125    HB3  LYS  16           HB3      LYS  16   1.130  -7.101  -4.661
  126    HG2  LYS  16           HG2      LYS  16   1.920  -9.092  -3.515
  127    HG3  LYS  16           HG3      LYS  16   0.269  -9.683  -3.326
  128    HD2  LYS  16           HD2      LYS  16   0.091  -9.619  -5.869
  129    HD3  LYS  16           HD3      LYS  16   1.837  -9.365  -5.894
  130    HE2  LYS  16           HE2      LYS  16   1.984 -11.627  -5.865
  131    HE3  LYS  16           HE3      LYS  16   1.579 -11.489  -4.154
  132    HZ1  LYS  16           HZ1      LYS  16   0.033 -12.560  -6.286
  133    HZ2  LYS  16           HZ2      LYS  16  -0.817 -11.329  -5.489
  134    HZ3  LYS  16           HZ3      LYS  16  -0.229 -12.660  -4.610
  135    H    HIS  17           H        HIS  17  -1.902  -8.320  -1.942
  136    HA   HIS  17           HA       HIS  17  -3.887  -6.468  -2.959
  137    HB2  HIS  17           HB2      HIS  17  -4.009  -8.817  -1.054
  138    HB3  HIS  17           HB3      HIS  17  -5.433  -7.855  -1.449
  139    HD1  HIS  17           HD1      HIS  17  -2.970 -10.266  -2.953
  140    HD2  HIS  17           HD2      HIS  17  -6.410  -8.201  -4.101
  141    HE1  HIS  17           HE1      HIS  17  -3.694 -11.252  -5.174
  142    HE2  HIS  17           HE2      HIS  17  -5.785 -10.002  -5.880
  143    H    GLN  18           H        GLN  18  -2.576  -7.159   0.293
  144    HA   GLN  18           HA       GLN  18  -4.173  -5.307   1.733
  145    HB2  GLN  18           HB2      GLN  18  -2.635  -6.979   2.781
  146    HB3  GLN  18           HB3      GLN  18  -1.264  -5.999   2.257
  147    HG2  GLN  18           HG2      GLN  18  -3.455  -4.680   3.817
  148    HG3  GLN  18           HG3      GLN  18  -2.289  -5.684   4.680
  149   HE21  GLN  18          HE21      GLN  18  -0.832  -4.396   1.900
  150   HE22  GLN  18          HE22      GLN  18  -0.059  -3.065   2.618
  151    H    MET  19           H        MET  19  -1.013  -4.863   0.141
  152    HA   MET  19           HA       MET  19  -0.781  -2.063   0.746
  153    HB2  MET  19           HB2      MET  19   1.087  -3.560  -0.043
  154    HB3  MET  19           HB3      MET  19   0.353  -3.539  -1.646
  155    HG2  MET  19           HG2      MET  19   0.439  -0.858  -0.997
  156    HG3  MET  19           HG3      MET  19   1.934  -1.469  -0.293
  157    HE1  MET  19           HE1      MET  19  -0.350  -1.066  -3.087
  158    HE2  MET  19           HE2      MET  19   0.006  -2.655  -3.776
  159    HE3  MET  19           HE3      MET  19   0.569  -1.195  -4.585
  160    H    GLU  20           H        GLU  20  -1.904  -3.808  -2.152
  161    HA   GLU  20           HA       GLU  20  -2.643  -1.520  -3.672
  162    HB2  GLU  20           HB2      GLU  20  -2.729  -3.429  -4.963
  163    HB3  GLU  20           HB3      GLU  20  -3.373  -4.411  -3.648
  164    HG2  GLU  20           HG2      GLU  20  -5.561  -3.733  -4.023
  165    HG3  GLU  20           HG3      GLU  20  -5.070  -2.214  -4.773
  166    H    THR  21           H        THR  21  -4.334  -3.380  -1.198
  167    HA   THR  21           HA       THR  21  -6.857  -1.987  -1.477
  168    HB   THR  21           HB       THR  21  -5.621  -3.814   0.553
  169    HG1  THR  21           HG1      THR  21  -7.045  -4.259  -1.401
  170   HG21  THR  21          HG21      THR  21  -7.809  -3.465   1.882
  171   HG22  THR  21          HG22      THR  21  -7.921  -1.924   1.032
  172   HG23  THR  21          HG23      THR  21  -6.538  -2.259   2.074
  173    H    HIS  22           H        HIS  22  -3.823  -1.294   0.011
  174    HA   HIS  22           HA       HIS  22  -4.846   0.692   1.892
  175    HB2  HIS  22           HB2      HIS  22  -2.763  -0.214   2.525
  176    HB3  HIS  22           HB3      HIS  22  -2.103  -0.072   0.898
  177    HD1  HIS  22           HD1      HIS  22  -2.276   1.676   4.094
  178    HD2  HIS  22           HD2      HIS  22  -1.684   2.774   0.117
  179    HE1  HIS  22           HE1      HIS  22  -1.290   4.008   4.134
  180    H    TYR  23           H        TYR  23  -3.627   0.703  -1.415
  181    HA   TYR  23           HA       TYR  23  -3.146   3.440  -1.796
  182    HB2  TYR  23           HB2      TYR  23  -4.048   1.211  -3.557
  183    HB3  TYR  23           HB3      TYR  23  -4.253   2.852  -4.169
  184    HD1  TYR  23           HD1      TYR  23  -1.625   1.169  -2.075
  185    HD2  TYR  23           HD2      TYR  23  -2.523   3.423  -5.620
  186    HE1  TYR  23           HE1      TYR  23   0.791   1.270  -2.624
  187    HE2  TYR  23           HE2      TYR  23  -0.106   3.523  -6.168
  188    HH   TYR  23           HH       TYR  23   1.985   3.213  -5.312
  189    H    ARG  24           H        ARG  24  -6.220   1.717  -1.575
  190    HA   ARG  24           HA       ARG  24  -7.976   3.688  -2.552
  191    HB2  ARG  24           HB2      ARG  24  -8.200   1.311  -1.017
  192    HB3  ARG  24           HB3      ARG  24  -9.053   2.570  -0.123
  193    HG2  ARG  24           HG2      ARG  24  -9.476   1.901  -3.052
  194    HG3  ARG  24           HG3      ARG  24 -10.558   1.452  -1.732
  195    HD2  ARG  24           HD2      ARG  24 -10.257   4.156  -1.328
  196    HD3  ARG  24           HD3      ARG  24 -10.231   4.044  -3.088
  197    HE   ARG  24           HE       ARG  24 -12.489   3.247  -3.035
  198   HH11  ARG  24          HH11      ARG  24 -11.053   3.622   0.076
  199   HH12  ARG  24          HH12      ARG  24 -12.553   3.483   0.932
  200   HH21  ARG  24          HH21      ARG  24 -14.455   3.063  -1.937
  201   HH22  ARG  24          HH22      ARG  24 -14.478   3.167  -0.208
  202    H    VAL  25           H        VAL  25  -5.649   4.148  -0.306
  203    HA   VAL  25           HA       VAL  25  -7.198   6.065   1.354
  204    HB   VAL  25           HB       VAL  25  -4.520   4.714   1.591
  205   HG11  VAL  25          HG11      VAL  25  -5.373   7.320   2.874
  206   HG12  VAL  25          HG12      VAL  25  -3.887   6.984   1.985
  207   HG13  VAL  25          HG13      VAL  25  -4.139   6.280   3.583
  208   HG21  VAL  25          HG21      VAL  25  -5.515   4.612   4.025
  209   HG22  VAL  25          HG22      VAL  25  -6.162   3.544   2.779
  210   HG23  VAL  25          HG23      VAL  25  -7.033   5.012   3.221
  211    H    HIS  26           H        HIS  26  -5.152   5.920  -1.369
  212    HA   HIS  26           HA       HIS  26  -4.073   8.636  -1.063
  213    HB2  HIS  26           HB2      HIS  26  -4.022   6.843  -3.507
  214    HB3  HIS  26           HB3      HIS  26  -2.971   8.219  -3.173
  215    HD1  HIS  26           HD1      HIS  26  -2.598   7.390  -0.081
  216    HD2  HIS  26           HD2      HIS  26  -1.875   4.968  -3.396
  217    HE1  HIS  26           HE1      HIS  26  -0.959   5.615   0.675
  218    H    THR  27           H        THR  27  -7.055   7.449  -1.835
  219    HA   THR  27           HA       THR  27  -7.927   8.660  -4.178
  220    HB   THR  27           HB       THR  27 -10.045   9.213  -2.594
  221    HG1  THR  27           HG1      THR  27  -8.304   7.516  -1.176
  222   HG21  THR  27          HG21      THR  27 -10.633   6.736  -2.897
  223   HG22  THR  27          HG22      THR  27  -9.035   6.560  -3.621
  224   HG23  THR  27          HG23      THR  27 -10.224   7.633  -4.359
  225    H    GLY  28           H        GLY  28  -8.881  10.765  -4.620
  226    HA2  GLY  28           HA2      GLY  28  -9.218  13.096  -4.215
  227    HA3  GLY  28           HA3      GLY  28  -8.358  12.928  -2.683