*HEADER    HYDROLASE                               23-JUL-02   1IY6              
*TITLE     SOLUTION STRUCTURE OF OMSVP3 VARIANT, P14C/N39C                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: OMSVP3;                                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: THIRD DOMAIN;                                              
*COMPND   5 SYNONYM: OVOMUCOID;                                                  
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: LOPHURA NYCTHEMERA;                             
*SOURCE   3 ORGANISM_COMMON: SILVER PHEASANT;                                    
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET22B                                    
*KEYWDS    SOLUTION STRUCTURE, CSH MOTIF, NMR, OMSVP3, OVOMUCOID THIRD           
*KEYWDS   2 DOMAIN, PROTEASE INHIBITOR, DISULFIDE BOND, VARIANT                  
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    H.HEMMI, T.KUMAZAKI, T.YAMAZAKI, S.KOJIMA, T.YOSHIDA,                 
*AUTHOR   2 Y.KYOGOKU, M.KATSU, H.YOKOSAWA, K.MIURA, Y.KOBAYASHI                 
*REVDAT   1   11-MAR-03 1IY6    0                                                

set message=off echo=off end

assign (resid   12 and  name HB#  )(resid   42 and  name HG2* ) 4.0 2.2 3.4
assign (resid   12 and  name HD#  )(resid   42 and  name HG2* ) 3.0 1.2 3.4
assign (resid   19 and  name HN   )(resid   33 and  name HB1  ) 5.0 3.2 0.0
assign (resid   19 and  name HN   )(resid   33 and  name HD2# ) 4.0 2.2 1.0 
assign (resid   20 and  name HE#  )(resid   32 and  name HA#  ) 3.5 1.7 3.4
assign (resid   21 and  name HN   )(resid   21 and  name HB#  ) 2.8 1.0 1.0
assign (resid   22 and  name HG#  )(resid   55 and  name HN   ) 4.5 2.7 1.0
assign (resid   12 and  name HD#  )(resid   42 and  name HB   ) 5.0 3.2 1.0
assign (resid    4 and  name HN   )(resid    3 and  name HB#  ) 2.0 0.2 4.0
assign (resid    4 and  name HN   )(resid    4 and  name HB   ) 2.0 0.2 3.0
assign (resid    4 and  name HN   )(resid    4 and  name HG*  ) 2.0 0.2 4.0
assign (resid    4 and  name HB   )(resid   50 and  name HD2* ) 2.0 0.2 5.5
assign (resid    4 and  name HG*  )(resid    5 and  name HB#  ) 2.0 0.2 5.5
assign (resid    4 and  name HG*  )(resid   50 and  name HN   ) 2.0 0.2 7.0
assign (resid    4 and  name HG*  )(resid   50 and  name HD*  ) 2.0 0.2 8.0
assign (resid    5 and  name HN   )(resid    4 and  name HA   ) 2.0 0.2 1.0
assign (resid    5 and  name HN   )(resid    4 and  name HB   ) 2.0 0.2 3.5
assign (resid    5 and  name HN   )(resid    5 and  name HB#  ) 2.0 0.2 2.5
assign (resid    5 and  name HA   )(resid   50 and  name HD2* ) 2.0 0.2 7.0
assign (resid    6 and  name HN   )(resid    5 and  name HA   ) 2.0 0.2 1.0
assign (resid    6 and  name HN   )(resid    5 and  name HB#  ) 2.0 0.2 2.5
assign (resid    6 and  name HN   )(resid    6 and  name HB   ) 2.0 0.2 1.5
assign (resid    6 and  name HN   )(resid    6 and  name HG1* ) 2.0 0.2 3.0
assign (resid    6 and  name HN   )(resid    6 and  name HG2* ) 2.0 0.2 4.0
assign (resid    6 and  name HB   )(resid   37 and  name HE*  ) 2.0 0.2 5.5
assign (resid    6 and  name HB   )(resid   50 and  name HD*  ) 2.0 0.2 7.0
assign (resid    6 and  name HG1* )(resid    7 and  name HN   ) 2.0 0.2 3.5
assign (resid    6 and  name HG2* )(resid    7 and  name HN   ) 2.0 0.2 3.0
assign (resid    6 and  name HG1* )(resid   37 and  name HD*  ) 2.0 0.2 7.0
assign (resid    6 and  name HG2* )(resid   37 and  name HD*  ) 2.0 0.2 7.0
assign (resid    6 and  name HG1* )(resid   37 and  name HE*  ) 2.0 0.2 7.0
assign (resid    6 and  name HG2* )(resid   37 and  name HE*  ) 2.0 0.2 7.0
assign (resid    6 and  name HG1* )(resid   50 and  name HD*  ) 2.0 0.2 7.0
assign (resid    7 and  name HN   )(resid    6 and  name HA   ) 2.0 0.2 0.5
assign (resid    7 and  name HN   )(resid    6 and  name HB   ) 2.0 0.2 3.0
assign (resid    7 and  name HN   )(resid    7 and  name HB#  ) 2.0 0.2 2.5
assign (resid    7 and  name HA   )(resid    9 and  name HN   ) 2.0 0.2 3.0
assign (resid    8 and  name HN   )(resid    6 and  name HG2* ) 2.0 0.2 5.5
assign (resid    8 and  name HN   )(resid    7 and  name HA   ) 2.0 0.2 0.5
assign (resid    8 and  name HN   )(resid    8 and  name HB#  ) 2.0 0.2 2.5
assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 2.0 0.2 1.0
assign (resid    8 and  name HN   )(resid    9 and  name HB#  ) 2.0 0.2 3.5
assign (resid    8 and  name HA   )(resid    11 and  name HD*  ) 2.0 0.2 4.5
assign (resid    8 and  name HA   )(resid    11 and  name HE*  ) 2.0 0.2 4.5
assign (resid    8 and  name HB#  )(resid   41 and  name HG1* ) 2.0 0.2 5.0
assign (resid    8 and  name HB#  )(resid   41 and  name HG2* ) 2.0 0.2 5.0
assign (resid    9 and  name HN   )(resid    7 and  name HB#  ) 2.0 0.2 4.5
assign (resid    9 and  name HN   )(resid    8 and  name HA   ) 2.0 0.2 1.0
assign (resid    9 and  name HN   )(resid    8 and  name HB#  ) 2.0 0.2 3.5
assign (resid    9 and  name HN   )(resid    9 and  name HB#  ) 2.0 0.2 2.5
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 2.0 0.2 2.0
assign (resid   10 and  name HN   )(resid    8 and  name HA   ) 2.0 0.2 3.0
assign (resid   10 and  name HN   )(resid    9 and  name HA   ) 2.0 0.2 1.0
assign (resid   10 and  name HN   )(resid    9 and  name HB#  ) 2.0 0.2 2.5
assign (resid   10 and  name HN   )(resid   10 and  name HB#  ) 2.0 0.2 2.5
assign (resid   10 and  name HN   )(resid   10 and  name HG#  ) 2.0 0.2 4.5
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 2.0 0.2 1.0
assign (resid   10 and  name HG#  )(resid   12 and  name HD#  ) 2.0 0.2 6.0
assign (resid   11 and  name HN   )(resid   10 and  name HA   ) 2.0 0.2 1.0
assign (resid   11 and  name HN   )(resid   10 and  name HB#  ) 2.0 0.2 3.5
assign (resid   11 and  name HN   )(resid   11 and  name HB1  ) 2.0 0.2 1.5
assign (resid   11 and  name HN   )(resid   11 and  name HB2  ) 2.0 0.2 3.0
assign (resid   11 and  name HN   )(resid   12 and  name HD#  ) 2.0 0.2 4.5
assign (resid   11 and  name HA   )(resid   11 and  name HD*  ) 2.0 0.2 4.5
assign (resid   11 and  name HA   )(resid   11 and  name HE*  ) 2.0 0.2 5.5
assign (resid   11 and  name HA   )(resid   12 and  name HG#  ) 2.0 0.2 3.5
assign (resid   11 and  name HA   )(resid   12 and  name HD#  ) 2.0 0.2 3.0
assign (resid   11 and  name HA   )(resid   13 and  name HG#  ) 2.0 0.2 4.5
assign (resid   11 and  name HB1  )(resid   11 and  name HD*  ) 2.0 0.2 4.5
assign (resid   11 and  name HB2  )(resid   11 and  name HD*  ) 2.0 0.2 4.5
assign (resid   11 and  name HB1  )(resid   11 and  name HE*  ) 2.0 0.2 5.5
assign (resid   11 and  name HB2  )(resid   11 and  name HE*  ) 2.0 0.2 5.5
assign (resid   11 and  name HD*  )(resid   35 and  name HB2  ) 2.0 0.2 5.5
assign (resid   11 and  name HD*  )(resid   35 and  name HA   ) 2.0 0.2 5.0
assign (resid   11 and  name HE*  )(resid   35 and  name HB2  ) 2.0 0.2 5.5
assign (resid   11 and  name HE*  )(resid   35 and  name HA   ) 2.0 0.2 5.0
assign (resid   12 and  name HG#  )(resid   42 and  name HG1* ) 2.0 0.2 4.9
assign (resid   12 and  name HG#  )(resid   42 and  name HG2* ) 2.0 0.2 5.7   
assign (resid   13 and  name HN   )(resid   12 and  name HD#  ) 2.0 0.2 3.5
assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 2.0 0.2 1.5
assign (resid   14 and  name HN   )(resid   13 and  name HA   ) 2.0 0.2 0.5
assign (resid   14 and  name HN   )(resid   13 and  name HB#  ) 2.0 0.2 2.5
assign (resid   14 and  name HN   )(resid   14 and  name HB#  ) 2.0 0.2 2.5
assign (resid   14 and  name HN   )(resid   15 and  name HN   ) 2.0 0.2 1.0
assign (resid   15 and  name HN   )(resid   14 and  name HA   ) 2.0 0.2 1.0
assign (resid   15 and  name HN   )(resid   15 and  name HB#  ) 2.0 0.2 2.5
assign (resid   16 and  name HN   )(resid   15 and  name HA   ) 2.0 0.2 1.5
assign (resid   16 and  name HN   )(resid   15 and  name HB#  ) 2.0 0.2 2.5
assign (resid   16 and  name HN   )(resid   16 and  name HB1  ) 2.0 0.2 2.0
assign (resid   16 and  name HN   )(resid   16 and  name HB2  ) 2.0 0.2 0.8
assign (resid   16 and  name HB1  )(resid   33 and  name HD2# ) 2.0 0.2 3.0
assign (resid   16 and  name HB2  )(resid   33 and  name HD2# ) 2.0 0.2 3.0
assign (resid   16 and  name HB1  )(resid   35 and  name HB#  ) 2.0 0.2 3.0
assign (resid   16 and  name HB2  )(resid   35 and  name HB#  ) 2.0 0.2 3.0
assign (resid   16 and  name HB2  )(resid   36 and  name HD2# ) 2.0 0.2 4.0
assign (resid   17 and  name HN   )(resid   16 and  name HA   ) 2.0 0.2 0.5
assign (resid   17 and  name HN   )(resid   16 and  name HB1  ) 2.0 0.2 0.8
assign (resid   17 and  name HN   )(resid   16 and  name HB2  ) 2.0 0.2 2.0
assign (resid   17 and  name HN   )(resid   18 and  name HN   ) 2.0 0.2 2.0
assign (resid   17 and  name HN   )(resid   33 and  name HD2# ) 2.0 0.2 4.5
assign (resid   17 and  name HN   )(resid   35 and  name HB#  ) 2.0 0.2 4.5
assign (resid   17 and  name HB   )(resid   33 and  name HD2# ) 2.0 0.2 5.0
assign (resid   18 and  name HN   )(resid   18 and  name HB#  ) 2.0 0.2 2.5
assign (resid   18 and  name HN   )(resid   18 and  name HG#  ) 2.0 0.2 4.5
assign (resid   18 and  name HN   )(resid   19 and  name HN   ) 2.0 0.2 1.0
assign (resid   18 and  name HA   )(resid   33 and  name HD2# ) 2.0 0.2 4.5
assign (resid   19 and  name HN   )(resid   18 and  name HA   ) 2.0 0.2 1.5
assign (resid   19 and  name HN   )(resid   19 and  name HB#  ) 2.0 0.2 2.5
assign (resid   19 and  name HN   )(resid   19 and  name HG#  ) 2.0 0.2 2.5
assign (resid   19 and  name HG#  )(resid   21 and  name HG#  ) 2.0 0.2 3.5
assign (resid   19 and  name HB#  )(resid   33 and  name HD2# ) 2.0 0.2 6.0
assign (resid   19 and  name HG#  )(resid   33 and  name HB#  ) 2.0 0.2 6.0
assign (resid   19 and  name HG#  )(resid   33 and  name HD2# ) 2.0 0.2 6.0
assign (resid   20 and  name HN   )(resid   19 and  name HA   ) 2.0 0.2 0.5
assign (resid   20 and  name HN   )(resid   19 and  name HB#  ) 2.0 0.2 2.5
assign (resid   20 and  name HN   )(resid   19 and  name HG#  ) 2.0 0.2 3.5
assign (resid   20 and  name HN   )(resid   20 and  name HB1  ) 2.0 0.2 1.0
assign (resid   20 and  name HN   )(resid   20 and  name HB2  ) 2.0 0.2 1.5
assign (resid   20 and  name HN   )(resid   20 and  name HD*  ) 2.0 0.2 7.0
assign (resid   20 and  name HA   )(resid   20 and  name HD*  ) 2.0 0.2 5.5
assign (resid   20 and  name HA   )(resid   20 and  name HE*  ) 2.0 0.2 5.5
assign (resid   20 and  name HA   )(resid   21 and  name HE   ) 2.0 0.2 3.0
assign (resid   20 and  name HA   )(resid   33 and  name HD2# ) 2.0 0.2 4.5
assign (resid   20 and  name HB1  )(resid   20 and  name HD*  ) 2.0 0.2 3.0
assign (resid   20 and  name HB2  )(resid   20 and  name HD*  ) 2.0 0.2 3.0
assign (resid   20 and  name HB1  )(resid   20 and  name HE*  ) 2.0 0.2 4.0
assign (resid   20 and  name HB2  )(resid   20 and  name HE*  ) 2.0 0.2 5.0
assign (resid   20 and  name HB#  )(resid   21 and  name HE   ) 2.0 0.2 4.5
assign (resid   20 and  name HE*  )(resid   21 and  name HA   ) 2.0 0.2 4.5
assign (resid   20 and  name HE#  )(resid   22 and  name HA   ) 2.0 0.2 4.5
assign (resid   20 and  name HE*  )(resid   22 and  name HB#  ) 2.0 0.2 7.0
assign (resid   20 and  name HE*  )(resid   22 and  name HG#  ) 2.0 0.2 7.0
assign (resid   20 and  name HE*  )(resid   32 and  name HA#  ) 2.0 0.2 5.5
assign (resid   21 and  name HN   )(resid   20 and  name HA   ) 2.0 0.2 0.5
assign (resid   21 and  name HN   )(resid   20 and  name HB1  ) 2.0 0.2 2.0
assign (resid   21 and  name HN   )(resid   20 and  name HB2  ) 2.0 0.2 3.0
assign (resid   21 and  name HN   )(resid   19 and  name HG#  ) 2.0 0.2 4.5
assign (resid   21 and  name HN   )(resid   21 and  name HB#  ) 2.0 0.2 2.5
assign (resid   21 and  name HN   )(resid   21 and  name HG#  ) 2.0 0.2 3.5
assign (resid   21 and  name HN   )(resid   21 and  name HE   ) 2.0 0.2 2.0
assign (resid   21 and  name HN   )(resid   22 and  name HD#  ) 2.0 0.2 4.5
assign (resid   21 and  name HN   )(resid   32 and  name HA#  ) 2.0 0.2 4.5
assign (resid   21 and  name HN   )(resid   33 and  name HA   ) 2.0 0.2 3.0
assign (resid   21 and  name HN   )(resid   33 and  name HB#  ) 2.0 0.2 4.5
assign (resid   21 and  name HN   )(resid   33 and  name HD2# ) 2.0 0.2 4.5
assign (resid   21 and  name HA   )(resid   22 and  name HD#  ) 2.0 0.2 4.5
assign (resid   21 and  name HB#  )(resid   33 and  name HA   ) 2.0 0.2 4.5
assign (resid   21 and  name HG#  )(resid   21 and  name HE   ) 2.0 0.2 3.5
assign (resid   21 and  name HG#  )(resid   21 and  name HD*  ) 2.0 0.2 7.0
assign (resid   21 and  name HD#  )(resid   21 and  name HE   ) 2.0 0.2 3.5
assign (resid   22 and  name HA   )(resid   32 and  name HA#  ) 2.0 0.2 3.5
assign (resid   22 and  name HB#  )(resid   32 and  name HA#  ) 2.0 0.2 4.5
assign (resid   22 and  name HB#  )(resid   54 and  name HA#  ) 2.0 0.2 6.0
assign (resid   22 and  name HB#  )(resid   55 and  name HA   ) 2.0 0.2 4.5
assign (resid   22 and  name HG#  )(resid   54 and  name HA#  ) 2.0 0.2 6.0
assign (resid   22 and  name HG#  )(resid   55 and  name HA   ) 2.0 0.2 4.5
assign (resid   22 and  name HA   )(resid   21 and  name HN   ) 2.8 1.0 0.0
assign (resid   21 and  name HN   )(resid   21 and  name HG   ) 3.5 1.7 0.0
assign (resid   21 and  name HN   )(resid   21 and  name HD1* ) 4.0 2.2 2.4
assign (resid   21 and  name HN   )(resid   21 and  name HD2* ) 4.0 2.2 2.4
assign (resid   21 and  name HN   )(resid   31 and  name HB1  ) 5.0 3.2 0.0
assign (resid   21 and  name HN   )(resid   31 and  name HB2  ) 5.0 3.2 0.0
assign (resid   21 and  name HA   )(resid   24 and  name HN   ) 2.5 0.7 0.0
assign (resid   21 and  name HA   )(resid   50 and  name HD1* ) 5.0 3.2 2.4
assign (resid   21 and  name HA   )(resid   54 and  name HN   ) 3.5 1.7 0.0
assign (resid   21 and  name HB#  )(resid   24 and  name HN   ) 3.5 1.7 1.0
assign (resid   21 and  name HB#  )(resid   31 and  name HN   ) 5.0 3.2 1.0
assign (resid   21 and  name HB#  )(resid   37 and  name HB2  ) 5.0 3.2 1.0
assign (resid   21 and  name HB#  )(resid   37 and  name HD#  ) 3.5 1.7 3.4
assign (resid   21 and  name HB#  )(resid   54 and  name HN   ) 5.0 3.2 1.0
assign (resid   21 and  name HG   )(resid   37 and  name HB#  ) 5.0 3.2 1.0
assign (resid   21 and  name HD2* )(resid   24 and  name HN   ) 5.5 3.7 2.4
assign (resid   21 and  name HD1* )(resid   33 and  name HN   ) 5.5 3.7 2.4
assign (resid   21 and  name HD1* )(resid   34 and  name HN   ) 5.0 3.2 2.4
assign (resid   21 and  name HD1* )(resid   34 and  name HA   ) 3.5 1.7 2.4
assign (resid   21 and  name HD2* )(resid   34 and  name HA   ) 5.0 3.2 2.4
assign (resid   21 and  name HD1* )(resid   37 and  name HB1  ) 4.0 2.2 2.4
assign (resid   21 and  name HD1* )(resid   37 and  name HB2  ) 4.0 2.2 2.4
assign (resid   21 and  name HD1* )(resid   37 and  name HD#  ) 3.0 1.2 3.4
assign (resid   21 and  name HD1* )(resid   38 and  name HN   ) 5.5 3.7 2.4
assign (resid   21 and  name HD1* )(resid   50 and  name HD1* ) 3.5 1.7 4.8
assign (resid   21 and  name HD1* )(resid   50 and  name HD2* ) 3.5 1.7 4.8
assign (resid   21 and  name HD2* )(resid   50 and  name HD1* ) 3.5 1.7 4.8
assign (resid   21 and  name HD2* )(resid   50 and  name HD2* ) 3.5 1.7 4.8
assign (resid   21 and  name HD1* )(resid   53 and  name HD2  ) 5.0 3.2 2.4
assign (resid   21 and  name HD2* )(resid   53 and  name HD2  ) 3.0 1.2 2.4
assign (resid   21 and  name HD1* )(resid   53 and  name HE2  ) 5.0 3.2 2.4
assign (resid   21 and  name HD2* )(resid   53 and  name HE2  ) 5.0 3.2 2.4
assign (resid   21 and  name HD2* )(resid   54 and  name HN   ) 4.5 2.7 2.4 
assign (resid   24 and  name HN   )(resid   24 and  name HB#  ) 2.8 1.0 1.0
assign (resid   24 and  name HN   )(resid   25 and  name HN   ) 5.0 3.2 0.0
assign (resid   24 and  name HN   )(resid   50 and  name HD1* ) 5.0 3.2 2.4
assign (resid   24 and  name HA   )(resid   25 and  name HN   ) 2.5 0.7 0.0
assign (resid   24 and  name HA   )(resid   31 and  name HN   ) 5.0 3.2 0.0
assign (resid   24 and  name HB#  )(resid   25 and  name HN   ) 5.0 3.2 1.0
assign (resid   24 and  name HB#  )(resid   52 and  name HN   ) 3.5 1.7 1.0
assign (resid   24 and  name HB#  )(resid   52 and  name HE1  ) 3.5 1.7 1.0
assign (resid   24 and  name HB#  )(resid   56 and  name HN   ) 4.0 2.2 1.0
assign (resid   24 and  name HB#  )(resid   56 and  name HA   ) 3.5 1.7 1.0
assign (resid   25 and  name HN   )(resid   29 and  name HN   ) 3.5 1.7 0.0
assign (resid   25 and  name HN   )(resid   29 and  name HA   ) 5.0 3.2 0.0
assign (resid   25 and  name HN   )(resid   31 and  name HE1  ) 4.0 2.2 0.0
assign (resid   25 and  name HA#  )(resid   26 and  name HN   ) 3.5 1.7 1.0
assign (resid   25 and  name HA#  )(resid   37 and  name HD2  ) 3.0 1.2 1.0
assign (resid   25 and  name HA#  )(resid   37 and  name HE#  ) 3.0 1.2 3.4
assign (resid   25 and  name HA#  )(resid   50 and  name HB#  ) 5.0 3.2 2.0
assign (resid   25 and  name HA#  )(resid   50 and  name HD1* ) 4.5 2.7 3.4
assign (resid   26 and  name HN   )(resid   26 and  name HB#  ) 3.5 1.7 1.0
assign (resid   26 and  name HN   )(resid   27 and  name HN   ) 2.8 1.0 0.0
assign (resid   26 and  name HN   )(resid   37 and  name HE2  ) 3.5 1.7 0.0
assign (resid   26 and  name HN   )(resid   48 and  name HD1* ) 5.0 3.2 2.4
assign (resid   26 and  name HN   )(resid   48 and  name HD2* ) 5.0 3.2 2.4
assign (resid   26 and  name HN   )(resid   50 and  name HN   ) 3.5 1.7 0.0
assign (resid   26 and  name HN   )(resid   50 and  name HA   ) 3.5 1.7 0.0
assign (resid   26 and  name HN   )(resid   50 and  name HD1*  ) 5.5 3.7 1.2
assign (resid   26 and  name HN   )(resid   51 and  name HB#  ) 5.0 3.2 1.0
assign (resid   26 and  name HA   )(resid   27 and  name HN   ) 4.0 2.2 0.0
assign (resid   26 and  name HA   )(resid   28 and  name HN   ) 3.5 1.7 0.0
assign (resid   26 and  name HA   )(resid   51 and  name HB#  ) 3.0 1.2 1.0
assign (resid   27 and  name HN   )(resid   27 and  name HB1  ) 2.8 1.0 0.0
assign (resid   27 and  name HN   )(resid   27 and  name HB2  ) 4.0 2.2 0.0
assign (resid   27 and  name HN   )(resid   28 and  name HN   ) 2.8 1.0 0.0
assign (resid   27 and  name HN   )(resid   29 and  name HN   ) 5.0 3.2 0.0
assign (resid   27 and  name HN   )(resid   48 and  name HD1* ) 4.0 2.2 2.4
assign (resid   27 and  name HB1  )(resid   28 and  name HN   ) 4.5 2.7 0.0
assign (resid   27 and  name HB2  )(resid   28 and  name HN   ) 4.5 2.7 0.0
assign (resid   27 and  name HB1  )(resid   29 and  name HN   ) 5.0 3.2 0.0
assign (resid   27 and  name HB2  )(resid   29 and  name HN   ) 5.0 3.2 0.0
assign (resid   27 and  name HB1  )(resid   49 and  name HN   ) 5.0 3.2 0.0
assign (resid   28 and  name HN   )(resid   28 and  name HA   ) 2.5 1.7 0.0
assign (resid   28 and  name HN   )(resid   28 and  name HB1  ) 4.0 2.2 0.0
assign (resid   28 and  name HN   )(resid   28 and  name HB2  ) 4.0 2.2 0.0
assign (resid   28 and  name HN   )(resid   29 and  name HN   ) 2.8 1.0 0.0
assign (resid   29 and  name HN   )(resid   29 and  name HB#  ) 3.5 1.7 1.0
assign (resid   29 and  name HN   )(resid   29 and  name HG#  ) 3.5 1.7 1.0
assign (resid   29 and  name HN   )(resid   29 and  name HD#  ) 5.0 3.2 1.0
assign (resid   29 and  name HA   )(resid   30 and  name HN   ) 2.5 0.7 0.0
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assign (resid   37 and  name HE#  )(resid   50 and  name HG   ) 5.0 3.2 2.4
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assign (resid   41 and  name HG2* )(resid   48 and  name HG   ) 4.0 2.2 2.4
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assign (resid   48 and  name HG   )(resid   49 and  name HA   ) 5.0 3.2 0.0
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assign (resid   50 and  name HB#  )(resid   51 and  name HA   ) 5.0 3.2 1.0
assign (resid   50 and  name HG   )(resid   53 and  name HN   ) 5.0 3.2 0.0
assign (resid   51 and  name HN   )(resid   52 and  name HN   ) 3.5 1.7 0.0
assign (resid   13 and  name HG#  )(resid   39 and  name HB#  ) 2.0 0.2 4.5
assign (resid   37 and  name HN   )(resid   39 and  name HN   ) 2.0 0.2 2.0
assign (resid   38 and  name HN   )(resid   39 and  name HN   ) 2.0 0.2 0.5
assign (resid   39 and  name HN   )(resid   36 and  name HA   ) 2.0 0.2 2.0
assign (resid   39 and  name HN   )(resid   37 and  name HA   ) 2.0 0.2 2.0
assign (resid   39 and  name HN   )(resid   38 and  name HA   ) 2.0 0.2 1.5
assign (resid   39 and  name HN   )(resid   38 and  name HB#  ) 2.0 0.2 2.5
assign (resid   39 and  name HN   )(resid   39 and  name HB#  ) 2.0 0.2 2.0
assign (resid   39 and  name HN   )(resid   40 and  name HN   ) 2.0 0.2 0.5
assign (resid   39 and  name HN   )(resid   40 and  name HB#  ) 2.0 0.2 3.5
assign (resid   39 and  name HN   )(resid   41 and  name HG*  ) 2.0 0.2 5.5
assign (resid   39 and  name HA   )(resid   42 and  name HB   ) 2.0 0.2 3.0
assign (resid   39 and  name HA   )(resid   42 and  name HG*  ) 2.0 0.2 5.5
assign (resid   40 and  name HN   )(resid   39 and  name HA   ) 2.0 0.2 1.5
assign (resid   42 and  name HN   )(resid   39 and  name HA   ) 2.0 0.2 2.0
assign (resid   21 and  name HN   )(resid   33 and  name HA   ) 2.0 0.2 5.0
assign (resid   21 and  name HB#  )(resid   50 and  name HD*  ) 2.0 0.2 7.0
assign (resid   21 and  name HD2* )(resid   53 and  name HB1  ) 2.0 0.2 5.5
assign (resid   21 and  name HD2* )(resid   53 and  name HB2  ) 2.0 0.2 4.5
assign (resid   24 and  name HA   )(resid   31 and  name HD*  ) 2.0 0.2 7.0
assign (resid   25 and  name HN   )(resid   31 and  name HD*  ) 2.0 0.2 5.5
assign (resid   26 and  name HN   )(resid   48 and  name HG   ) 2.0 0.2 3.0
assign (resid   26 and  name HN   )(resid   37 and  name HD*  ) 2.0 0.2 5.5
assign (resid   26 and  name HN   )(resid   51 and  name HB#  ) 2.0 0.2 4.5
assign (resid   27 and  name HN   )(resid   29 and  name HB#  ) 2.0 0.2 4.5
assign (resid   29 and  name HN   )(resid   28 and  name HB#  ) 2.0 0.2 3.5
assign (resid   30 and  name HG2# )(resid   56 and  name HB#  ) 2.0 0.2 6.0
assign (resid   30 and  name HG1  )(resid   56 and  name HB#  ) 2.0 0.2 6.5
assign (resid   31 and  name HD2  )(resid   36 and  name HB#  ) 2.0 0.2 7.0
assign (resid   31 and  name HE*  )(resid   37 and  name HA   ) 2.0 0.2 5.5
assign (resid   31 and  name HE*  )(resid   37 and  name HE*  ) 2.0 0.2 8.0
assign (resid   31 and  name HE*  )(resid   48 and  name HD*  ) 2.0 0.2 7.0
assign (resid   33 and  name HD2# )(resid   35 and  name HB#  ) 2.0 0.2 6.0
assign (resid   33 and  name HD2# )(resid   36 and  name HD2# ) 2.0 0.2 6.0
assign (resid   35 and  name HN   )(resid   33 and  name HA   ) 2.0 0.2 2.0
assign (resid   35 and  name HN   )(resid   33 and  name HB#  ) 2.0 0.2 4.5
assign (resid   34 and  name HA   )(resid   37 and  name HB1  ) 2.0 0.2 2.0
assign (resid   34 and  name HA   )(resid   37 and  name HB2  ) 2.0 0.2 2.0
assign (resid   36 and  name HN   )(resid   34 and  name HA   ) 2.0 0.2 2.0
assign (resid   35 and  name HN   )(resid   34 and  name HB#  ) 2.0 0.2 2.5
assign (resid   35 and  name HN   )(resid   34 and  name HG#  ) 2.0 0.2 4.5
assign (resid   35 and  name HN   )(resid   34 and  name HD#  ) 2.0 0.2 4.5
assign (resid   38 and  name HN   )(resid   34 and  name HG#  ) 2.0 0.2 4.5
assign (resid   36 and  name HN   )(resid   35 and  name HA   ) 2.0 0.2 1.5
assign (resid   36 and  name HN   )(resid   37 and  name HN   ) 2.0 0.2 0.5
assign (resid   37 and  name HN   )(resid   36 and  name HA   ) 2.0 0.2 1.5
assign (resid   37 and  name HN   )(resid   36 and  name HB#  ) 2.0 0.2 3.5
assign (resid   37 and  name HN   )(resid   39 and  name HN   ) 2.0 0.2 2.0
assign (resid   37 and  name HD*  )(resid   41 and  name HG1* ) 2.0 0.2 7.0
assign (resid   37 and  name HD*  )(resid   41 and  name HG2* ) 2.0 0.2 7.0
assign (resid   37 and  name HE*  )(resid   41 and  name HG2* ) 2.0 0.2 7.0
assign (resid   37 and  name HD*  )(resid   48 and  name HG   ) 2.0 0.2 5.5
assign (resid   37 and  name HE*  )(resid   48 and  name HG   ) 2.0 0.2 5.5
assign (resid   37 and  name HD2  )(resid   48 and  name HD1* ) 2.0 0.2 8.0
assign (resid   37 and  name HD2  )(resid   48 and  name HD2* ) 2.0 0.2 8.0
assign (resid   41 and  name HA   )(resid   48 and  name HB#  ) 2.0 0.2 4.5
assign (resid   43 and  name HN   )(resid   41 and  name HA   ) 2.0 0.2 2.0
assign (resid   42 and  name HG1* )(resid   43 and  name HA   ) 2.0 0.2 5.5
assign (resid   47 and  name HN   )(resid   44 and  name HB#  ) 2.0 0.2 4.5
assign (resid   45 and  name HN   )(resid   47 and  name HN   ) 2.0 0.2 2.0
assign (resid   46 and  name HN   )(resid   45 and  name HB#  ) 2.0 0.2 4.5
assign (resid   47 and  name HN   )(resid   47 and  name HB#  ) 2.0 0.2 2.0
assign (resid   48 and  name HD*  )(resid   49 and  name HA   ) 2.0 0.2 5.5
assign (resid   48 and  name HD*  )(resid   50 and  name HA   ) 2.0 0.2 5.5
assign (resid   49 and  name HN   )(resid   48 and  name HG   ) 2.0 0.2 3.0
assign (resid   49 and  name HN   )(resid   48 and  name HB#  ) 2.0 0.2 3.5
assign (resid   49 and  name HN   )(resid   26 and  name HB#  ) 2.0 0.2 4.5
assign (resid   49 and  name HN   )(resid   49 and  name HB   ) 5.0 3.2 0.0
assign (resid   53 and  name HN   )(resid   50 and  name HG   ) 2.0 0.2 3.0
assign (resid   53 and  name HN   )(resid   54 and  name HN   ) 2.0 0.2 3.0

!H-bond

assign  (resid  11 and name N)(resid  8 and name O)  3.3 0.8 0.2
assign  (resid  11 and name HN)(resid  8 and name O)  2.3 0.8 0.2

assign  (resid  21 and name N)(resid  32 and name O)  3.3 0.8 0.2
assign  (resid  21 and name HN)(resid  32 and name O)  2.3 0.8 0.2

assign  (resid  24 and name N)(resid  52 and name O)  3.3 0.8 0.2
assign  (resid  24 and name HN)(resid  52 and name O)  2.3 0.8 0.2

assign  (resid  21 and name N)(resid  31 and name O)  3.3 0.8 0.2
assign  (resid  21 and name HN)(resid  31 and name O)  2.3 0.8 0.2

assign  (resid  25 and name N)(resid  29 and name O)  3.3 0.8 0.2
assign  (resid  25 and name HN)(resid  29 and name O)  2.3 0.8 0.2

assign  (resid  26 and name N)(resid  49 and name O)  3.3 0.8 0.2
assign  (resid  26 and name HN)(resid  49 and name O)  2.3 0.8 0.2

assign  (resid  27 and name N)(resid  25 and name O)  3.3 0.8 0.2
assign  (resid  27 and name HN)(resid  25 and name O)  2.3 0.8 0.2

assign  (resid  28 and name N)(resid  25 and name O)  3.3 0.8 0.2
assign  (resid  28 and name HN)(resid  25 and name O)  2.3 0.8 0.2

assign  (resid  29 and name N)(resid  25 and name O)  3.3 0.8 0.2
assign  (resid  29 and name HN)(resid  25 and name O)  2.3 0.8 0.2

assign  (resid  31 and name N)(resid  21 and name O)  3.3 0.8 0.2
assign  (resid  31 and name HN)(resid  21 and name O)  2.3 0.8 0.2

assign  (resid  35 and name N)(resid  33 and name OD1)  3.3 0.8 0.2
assign  (resid  35 and name HN)(resid  33 and name OD1)  2.3 0.8 0.2

assign  (resid  36 and name N)(resid  33 and name OD1)  3.3 0.8 0.2
assign  (resid  36 and name HN)(resid  33 and name OD1)  2.3 0.8 0.2

assign  (resid  37 and name N)(resid  33 and name O)  3.3 0.8 0.2
assign  (resid  37 and name HN)(resid  33 and name O)  2.3 0.8 0.2

assign  (resid  38 and name N)(resid  34 and name O)  3.3 0.8 0.2
assign  (resid  38 and name HN)(resid  34 and name O)  2.3 0.8 0.2

assign  (resid  39 and name N)(resid  35 and name O)  3.3 0.8 0.2
assign  (resid  39 and name HN)(resid  35 and name O)  2.3 0.8 0.2

assign  (resid  40 and name N)(resid  36 and name O)  3.3 0.8 0.2
assign  (resid  40 and name HN)(resid  36 and name O)  2.3 0.8 0.2

assign  (resid  41 and name N)(resid  37 and name O)  3.3 0.8 0.2
assign  (resid  41 and name HN)(resid  37 and name O)  2.3 0.8 0.2

assign  (resid  42 and name N)(resid  38 and name O)  3.3 0.8 0.2
assign  (resid  42 and name HN)(resid  38 and name O)  2.3 0.8 0.2

assign  (resid  43 and name N)(resid  39 and name O)  3.3 0.8 0.2
assign  (resid  43 and name HN)(resid  39 and name O)  2.3 0.8 0.2

assign  (resid  44 and name N)(resid  40 and name O)  3.3 0.8 0.2
assign  (resid  44 and name HN)(resid  40 and name O)  2.3 0.8 0.2

assign  (resid  46 and name N)(resid  41 and name O)  3.3 0.8 0.2
assign  (resid  46 and name HN)(resid  41 and name O)  2.3 0.8 0.2

assign  (resid  47 and name N)(resid  44 and name O)  3.3 0.8 0.2
assign  (resid  47 and name HN)(resid  44 and name O)  2.3 0.8 0.2

assign  (resid  51 and name N)(resid  24 and name O)  3.3 0.8 0.2
assign  (resid  51 and name HN)(resid  24 and name O)  2.3 0.8 0.2

assign  (resid  52 and name N)(resid  24 and name O)  3.3 0.8 0.2
assign  (resid  52 and name HN)(resid  24 and name O)  2.3 0.8 0.2

assign  (resid  54 and name N)(resid  22 and name O)  3.3 0.8 0.2
assign  (resid  54 and name HN)(resid  22 and name O)  2.3 0.8 0.2

assign  (resid  56 and name N)(resid  30 and name OG1)  3.3 0.8 0.2
assign  (resid  56 and name HN)(resid  30 and name OG1)  2.3 0.8 0.2


!dihedral angle


assign  (resid 5 and name c)(resid 6 and name n)
        (resid 6 and name ca)(resid 6 and name c) 1.0 -120.0 30.0 2 !Phi
assign  (resid 6 and name n)(resid 6 and name ca)
        (resid 6 and name cb)(resid 6 and name cg1) 1.0 60.0 60.0 2  !Chi 1


assign (resid 6 and name c)(resid 7 and name n)
        (resid 7 and name ca)(resid 7 and name c) 1.0 -120.0 50.0 2 !Phi



assign (resid 7 and name c)(resid 8 and name n)
        (resid 8 and name ca)(resid 8 and name c) 1.0 -120.0 40.0 2 !Phi


assign (resid 8 and name c)(resid 9 and name n)
        (resid 9 and name ca)(resid 9 and name c) 1.0 -60.0 30.0 2 !Phi


assign (resid 10 and name c)(resid 11 and name n)
        (resid 11 and name ca)(resid 11 and name c) 1.0 -120.0 30.0 2 !Phi


assign (resid 12 and name c)(resid 13 and name n)
        (resid 13 and name ca)(resid 13 and name c) 1.0 -120.0 50.0 2 !Phi


assign (resid 14 and name c)(resid 15 and name n)
        (resid 15 and name ca)(resid 15 and name c) 1.0 -120.0 30.0 2 !Phi


assign (resid 15 and name c)(resid 16 and name n)
        (resid 16 and name ca)(resid 16 and name c) 1.0 -120.0 40.0 2 !Phi
assign  (resid 16 and name n)(resid 16 and name ca)
        (resid 16 and name cb)(resid 16 and name sg) 1.0 -60.0 60.0 2  !Chi 1


assign (resid 16 and name c)(resid 17 and name n)
        (resid 17 and name ca)(resid 17 and name c) 1.0 -120.0 40.0 2 !Phi


assign (resid 17 and name c)(resid 18 and name n)
        (resid 18 and name ca)(resid 18 and name c) 1.0 -120.0 40.0 2 !Phi


assign (resid 18 and name c)(resid 19 and name n)
        (resid 19 and name ca)(resid 19 and name c) 1.0 -60.0 30.0 2 !Phi


assign (resid 19 and name c)(resid 20 and name n)
        (resid 20 and name ca)(resid 20 and name c) 1.0 -120.0 30.0 2 !Phi
assign (resid 20 and name n)(resid 20 and name ca)
        (resid 20 and name cb)(resid 20 and name cg) 1.0 180.0 60.0  2 !Chi 1


assign (resid 20 and name c)(resid 21 and name n)
        (resid 21 and name ca)(resid 21 and name c) 1.0 -120.0 50.0 2 !Phi


assign (resid 22 and name c)(resid 21 and name n)
        (resid 21 and name ca)(resid 21 and name c) 1.0 -120.0 40.0 2 !Phi
assign (resid 21 and name n)(resid 21 and name ca)
        (resid 21 and name cb)(resid 21 and name cg) 1.0 -60.0 60.0 2 !Chi1


assign (resid 21 and name c)(resid 24 and name n)
        (resid 24 and name ca)(resid 24 and name c) 1.0 -120.0 30.0 2 !Phi


assign (resid 25 and name c)(resid 26 and name n)
        (resid 26 and name ca)(resid 26 and name c) 1.0 -60.0 30.0 2 !Phi

assign (resid 26 and name n)(resid 26 and name ca)
        (resid 26 and name c)(resid 27 and name n) 1.0 -30.0 40.0 2 !Psi


assign (resid 26 and name c)(resid 27 and name n)
        (resid 27 and name ca)(resid 27 and name c) 1.0 -120.0 40.0 2 !Phi
assign (resid 27 and name n)(resid 27 and name ca)
        (resid 27 and name c)(resid 28 and name n) 1.0  0.0 40.0 2  !Psi
assign (resid 27 and name n)(resid 27 and name ca)
        (resid 27 and name cb)(resid 27 and name cg) 1.0 60.0 60.0 2  !Chi1

assign (resid 27 and name c)(resid 28 and name n)
        (resid 28 and name ca)(resid 28 and name c) 1.0 60.0 40.0 2 !Phi
assign (resid 28 and name n)(resid 28 and name ca)
        (resid 28 and name c)(resid 29 and name n) 1.0 30.0 40.0 2 !Psi
assign (resid 28 and name n)(resid 28 and name ca)
        (resid 28 and name cb)(resid 28 and name cg) 1.0 180.0 60.0 2 !Chi 1

assign (resid 28 and name c)(resid 29 and name n)
        (resid 29 and name ca)(resid 29 and name c) 1.0 -120.0 30.0 2 !Phi


assign (resid 29 and name c)(resid 30 and name n)
        (resid 30 and name ca)(resid 30 and name c) 1.0 -120.0 40.0 2 !Phi
assign (resid 30 and name n)(resid 30 and name ca)
        (resid 30 and name cb)(resid 30 and name og1) 1.0 -60.0 60.0 2 !Chi 1


assign (resid 30 and name c)(resid 31 and name n)
        (resid 31 and name ca)(resid 31 and name c) 1.0 -120.0 30.0 2 !Phi
assign (resid 31 and name n)(resid 31 and name ca)
        (resid 31 and name cb)(resid 31 and name cg) 1.0 -60.0 60.0 2  !Chi 1


assign (resid 33 and name n)(resid 33 and name ca)
        (resid 33 and name cb)(resid 33 and name cg) 1.0 60.0 60.0 2  !Chi 1

assign (resid 33 and name c)(resid 34 and name n)
        (resid 34 and name ca)(resid 34 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 34 and name n)(resid 34 and name ca)
        (resid 34 and name c)(resid 35 and name n) 1.0 -40.0 30.0 2  !Psi


assign (resid 34 and name c)(resid 35 and name n)
        (resid 35 and name ca)(resid 35 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 35 and name n)(resid 35 and name ca)
        (resid 35 and name c)(resid 36 and name n) 1.0 -40.0 30.0 2  !Psi
assign  (resid 35 and name n)(resid 35 and name ca)
        (resid 35 and name cb)(resid 35 and name sg) 1.0 180.0 60.0 2  !Chi 1


assign (resid 35 and name c)(resid 36 and name n)
        (resid 36 and name ca)(resid 36 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 36 and name n)(resid 36 and name ca)
        (resid 36 and name c)(resid 37 and name n) 1.0 -40.0 30.0 2  !Psi

assign (resid 36 and name c)(resid 37 and name n)
        (resid 37 and name ca)(resid 37 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 37 and name n)(resid 37 and name ca)
        (resid 37 and name c)(resid 38 and name n) 1.0 -40.0 30.0 2  !Psi
assign  (resid 37 and name n)(resid 37 and name ca)
        (resid 37 and name cb)(resid 37 and name cg) 1.0 180.0 60.0 2  !Chi 1

assign (resid 37 and name c)(resid 38 and name n)
        (resid 38 and name ca)(resid 38 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 38 and name n)(resid 38 and name ca)
        (resid 38 and name c)(resid 39 and name n) 1.0 -40.0 30.0 2  !Psi
assign  (resid 38 and name n)(resid 38 and name ca)
        (resid 38 and name cb)(resid 38 and name sg) 1.0 -60.0 60.0 2  !Chi 1


assign (resid 38 and name c)(resid 39 and name n)
        (resid 39 and name ca)(resid 39 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 39 and name n)(resid 39 and name ca)
        (resid 39 and name c)(resid 40 and name n) 1.0 -40.0 30.0 2  !Psi
assign  (resid 39 and name n)(resid 39 and name ca)
        (resid 39 and name cb)(resid 39 and name sg) 1.0 180.0 60.0 2  !Chi 1

assign (resid 39 and name c)(resid 40 and name n)
        (resid 40 and name ca)(resid 40 and name c) 1.0 -60.0 50.0 2 !Phi
assign (resid 40 and name n)(resid 40 and name ca)
        (resid 40 and name c)(resid 41 and name n) 1.0 -40.0 30.0 2  !Psi


assign (resid 40 and name c)(resid 41 and name n)
        (resid 41 and name ca)(resid 41 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 41 and name n)(resid 41 and name ca)
        (resid 41 and name c)(resid 42 and name n) 1.0 -40.0 30.0 2  !Psi
assign  (resid 41 and name n)(resid 41 and name ca)
        (resid 41 and name cb)(resid 41 and name cg1) 1.0 180.0 60.0 2  !Chi 1



assign (resid 41 and name c)(resid 42 and name n)
        (resid 42 and name ca)(resid 42 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 42 and name n)(resid 42 and name ca)
        (resid 42 and name c)(resid 43 and name n) 1.0 -40.0 30.0 2  !Psi
assign  (resid 42 and name n)(resid 42 and name ca)
        (resid 42 and name cb)(resid 42 and name cg1) 1.0 180.0 60.0 2  !Chi 1


assign (resid 42 and name c)(resid 43 and name n)
        (resid 43 and name ca)(resid 43 and name c) 1.0 -60.0 50.0 2 !Phi
assign (resid 43 and name n)(resid 43 and name ca)
        (resid 43 and name c)(resid 44 and name n) 1.0 -40.0 30.0 2  !Psi


assign (resid 46 and name c)(resid 47 and name n)
        (resid 47 and name ca)(resid 47 and name c) 1.0 -120.0 40.0 2 !Phi


assign (resid 48 and name n)(resid 48 and name ca)
        (resid 48 and name cb)(resid 48 and name cg) 1.0 180.0 60.0 2  !Chi1


assign (resid 48 and name c)(resid 49 and name n)
        (resid 49 and name ca)(resid 49 and name c) 1.0 -120.0 30.0 2 !Phi
assign (resid 49 and name n)(resid 49 and name ca)
        (resid 49 and name cb)(resid 49 and name og1) 1.0 60.0 60.0 2  !Chi1

assign (resid 50 and name n)(resid 50 and name ca)
        (resid 50 and name cb)(resid 50 and name cg) 1.0 180.0 60.0 2  !Chi1

assign (resid 50 and name c)(resid 51 and name n)
        (resid 51 and name ca)(resid 51 and name c) 1.0 -120.0 30.0 2 !Phi


assign (resid 53 and name n)(resid 53 and name ca)
        (resid 53 and name cb)(resid 53 and name cg) 1.0 -60.0 60.0 2  !Chi1


assign (resid 54 and name c)(resid 55 and name n)
        (resid 55 and name ca)(resid 55 and name c) 1.0 -60.0 30.0 2 !Phi

end

set message=on echo=on end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   3          1HT       ALA   3   7.959   7.437  -6.715
    2   2H    ALA   3          2HT       ALA   3   7.944   8.368  -8.136
    3   3H    ALA   3          3HT       ALA   3   9.089   8.683  -6.921
    4    HA   ALA   3           HA       ALA   3  10.291   7.525  -8.526
    5   1HB   ALA   3          1HB       ALA   3   9.391   5.242  -6.788
    6   2HB   ALA   3          2HB       ALA   3  10.245   6.608  -6.069
    7   3HB   ALA   3          3HB       ALA   3  11.019   5.648  -7.331
    8    H    VAL   4           H        VAL   4   7.107   6.071  -7.972
    9    HA   VAL   4           HA       VAL   4   7.117   5.166 -10.794
   10    HB   VAL   4           HB       VAL   4   6.456   3.333  -8.469
   11   1HG1  VAL   4          1HG1      VAL   4   5.022   2.938 -10.415
   12   2HG1  VAL   4          2HG1      VAL   4   6.199   1.633 -10.267
   13   3HG1  VAL   4          3HG1      VAL   4   6.436   2.899 -11.471
   14   1HG2  VAL   4          1HG2      VAL   4   8.776   3.259  -8.524
   15   2HG2  VAL   4          2HG2      VAL   4   8.850   3.691 -10.233
   16   3HG2  VAL   4          3HG2      VAL   4   8.406   2.052  -9.756
   17    H    SER   5           H        SER   5   4.981   4.964 -11.653
   18    HA   SER   5           HA       SER   5   2.913   6.294  -9.966
   19   1HB   SER   5          2HB       SER   5   3.680   7.126 -12.343
   20   2HB   SER   5          1HB       SER   5   2.621   5.844 -12.923
   21    HG   SER   5           HG       SER   5   1.081   7.225 -12.578
   22    H    VAL   6           H        VAL   6   1.048   5.201  -9.441
   23    HA   VAL   6           HA       VAL   6   0.704   2.478 -10.637
   24    HB   VAL   6           HB       VAL   6   1.320   2.342  -8.265
   25   1HG1  VAL   6          1HG1      VAL   6  -0.956   3.395  -6.969
   26   2HG1  VAL   6          2HG1      VAL   6  -0.437   4.636  -8.111
   27   3HG1  VAL   6          3HG1      VAL   6   0.690   4.022  -6.901
   28   1HG2  VAL   6          1HG2      VAL   6  -1.550   1.737  -8.994
   29   2HG2  VAL   6          2HG2      VAL   6  -0.881   1.285  -7.426
   30   3HG2  VAL   6          3HG2      VAL   6  -0.187   0.622  -8.904
   31    H    ASP   7           H        ASP   7  -1.362   1.948 -11.359
   32    HA   ASP   7           HA       ASP   7  -3.354   4.174 -11.272
   33   1HB   ASP   7          2HB       ASP   7  -3.038   1.905 -13.259
   34   2HB   ASP   7          1HB       ASP   7  -4.316   3.120 -13.311
   35    H    CYS   8           H        CYS   8  -4.774   3.755  -9.641
   36    HA   CYS   8           HA       CYS   8  -6.025   1.046  -9.585
   37   1HB   CYS   8          2HB       CYS   8  -4.700   2.541  -7.362
   38   2HB   CYS   8          1HB       CYS   8  -6.175   1.652  -6.980
   39    H    SER   9           H        SER   9  -7.071   3.267 -10.908
   40    HA   SER   9           HA       SER   9  -8.735   5.049  -9.599
   41   1HB   SER   9          2HB       SER   9 -10.318   4.654 -11.612
   42   2HB   SER   9          1HB       SER   9  -8.683   5.215 -11.948
   43    HG   SER   9           HG       SER   9  -9.762   3.156 -12.987
   44    H    GLU  10           H        GLU  10  -9.493   4.051  -7.669
   45    HA   GLU  10           HA       GLU  10 -11.247   3.117  -6.408
   46   1HB   GLU  10          2HB       GLU  10 -12.466   3.753  -8.765
   47   2HB   GLU  10          1HB       GLU  10 -12.698   2.006  -8.729
   48   1HG   GLU  10          2HG       GLU  10 -13.193   3.060  -6.105
   49   2HG   GLU  10          1HG       GLU  10 -14.144   3.972  -7.276
   50    H    TYR  11           H        TYR  11  -9.207   1.603  -6.205
   51    HA   TYR  11           HA       TYR  11 -10.115  -1.149  -6.956
   52   1HB   TYR  11          2HB       TYR  11  -8.035  -0.162  -8.198
   53   2HB   TYR  11          1HB       TYR  11  -7.200  -0.457  -6.673
   54    HD1  TYR  11           1HD      TYR  11  -9.244  -2.091  -9.325
   55    HD2  TYR  11           2HD      TYR  11  -6.529  -2.649  -6.045
   56    HE1  TYR  11           1HE      TYR  11  -9.032  -4.491  -9.911
   57    HE2  TYR  11           2HE      TYR  11  -6.317  -5.050  -6.630
   58    HH   TYR  11           HH       TYR  11  -8.423  -6.643  -8.638
   59    HA   PRO  12           HA       PRO  12  -9.299  -0.677  -2.375
   60   1HB   PRO  12          2HB       PRO  12 -11.891  -1.102  -1.557
   61   2HB   PRO  12          1HB       PRO  12 -11.218   0.504  -1.884
   62   1HG   PRO  12          2HG       PRO  12 -13.104  -1.115  -3.536
   63   2HG   PRO  12          1HG       PRO  12 -12.913   0.644  -3.450
   64   1HD   PRO  12          2HD       PRO  12 -11.912  -1.013  -5.504
   65   2HD   PRO  12          1HD       PRO  12 -11.428   0.667  -5.190
   66    H    LYS  13           H        LYS  13  -8.301  -2.663  -2.056
   67    HA   LYS  13           HA       LYS  13 -10.072  -5.035  -1.846
   68   1HB   LYS  13          2HB       LYS  13  -7.405  -5.243  -3.246
   69   2HB   LYS  13          1HB       LYS  13  -8.731  -6.407  -3.236
   70   1HG   LYS  13          2HG       LYS  13  -9.035  -3.641  -4.416
   71   2HG   LYS  13          1HG       LYS  13  -8.459  -5.008  -5.369
   72   1HD   LYS  13          2HD       LYS  13 -10.494  -6.194  -5.104
   73   2HD   LYS  13          1HD       LYS  13 -11.020  -5.156  -3.779
   74   1HE   LYS  13          2HE       LYS  13 -12.165  -3.980  -5.336
   75   2HE   LYS  13          1HE       LYS  13 -10.597  -3.373  -5.870
   76   1HZ   LYS  13          1HZ       LYS  13 -10.902  -5.898  -6.971
   77   2HZ   LYS  13          2HZ       LYS  13 -10.929  -4.405  -7.781
   78   3HZ   LYS  13          3HZ       LYS  13 -12.375  -5.096  -7.217
   79    H    CYS  14           H        CYS  14  -9.700  -4.681   0.463
   80    HA   CYS  14           HA       CYS  14  -6.905  -5.044   1.390
   81   1HB   CYS  14          2HB       CYS  14  -9.420  -4.008   2.580
   82   2HB   CYS  14          1HB       CYS  14  -8.350  -4.883   3.677
   83    H    ALA  15           H        ALA  15  -8.198  -7.261   0.083
   84    HA   ALA  15           HA       ALA  15  -8.340  -9.154   2.396
   85   1HB   ALA  15          1HB       ALA  15 -10.253 -10.108   1.613
   86   2HB   ALA  15          2HB       ALA  15  -9.749  -9.962  -0.069
   87   3HB   ALA  15          3HB       ALA  15 -10.462  -8.579   0.759
   88    H    CYS  16           H        CYS  16  -6.242  -8.232   0.256
   89    HA   CYS  16           HA       CYS  16  -5.724 -10.708  -1.215
   90   1HB   CYS  16          2HB       CYS  16  -4.011  -8.237  -0.812
   91   2HB   CYS  16          1HB       CYS  16  -3.636  -9.566  -1.910
   92    H    THR  17           H        THR  17  -4.039 -12.180  -0.779
   93    HA   THR  17           HA       THR  17  -2.284 -11.811   1.528
   94    HB   THR  17           HB       THR  17  -4.572 -13.795   1.634
   95    HG1  THR  17           1HG      THR  17  -5.067 -12.678   3.485
   96   1HG2  THR  17          1HG2      THR  17  -1.873 -13.919   2.755
   97   2HG2  THR  17          2HG2      THR  17  -3.106 -15.176   2.657
   98   3HG2  THR  17          3HG2      THR  17  -3.128 -14.020   3.989
   99    H    MET  18           H        MET  18  -0.997 -12.166  -0.576
  100    HA   MET  18           HA       MET  18  -0.132 -14.957  -0.631
  101   1HB   MET  18          2HB       MET  18  -2.066 -14.979  -2.188
  102   2HB   MET  18          1HB       MET  18  -1.288 -13.714  -3.140
  103   1HG   MET  18          2HG       MET  18   0.093 -15.190  -4.149
  104   2HG   MET  18          1HG       MET  18   0.507 -15.958  -2.617
  105   1HE   MET  18          1HE       MET  18  -3.285 -15.571  -3.754
  106   2HE   MET  18          2HE       MET  18  -3.289 -16.740  -5.072
  107   3HE   MET  18          3HE       MET  18  -2.221 -15.343  -5.147
  108    H    GLU  19           H        GLU  19   0.023 -12.264  -2.957
  109    HA   GLU  19           HA       GLU  19   2.832 -12.592  -3.423
  110   1HB   GLU  19          2HB       GLU  19   1.216 -11.425  -4.966
  111   2HB   GLU  19          1HB       GLU  19   1.200 -10.072  -3.835
  112   1HG   GLU  19          2HG       GLU  19   2.996  -9.284  -4.964
  113   2HG   GLU  19          1HG       GLU  19   3.911 -10.580  -4.194
  114    H    TYR  20           H        TYR  20   4.266 -12.350  -1.760
  115    HA   TYR  20           HA       TYR  20   3.802 -10.265   0.281
  116   1HB   TYR  20          2HB       TYR  20   4.766 -12.723   0.611
  117   2HB   TYR  20          1HB       TYR  20   6.290 -11.925   0.217
  118    HD1  TYR  20           1HD      TYR  20   3.744 -12.434   2.739
  119    HD2  TYR  20           2HD      TYR  20   7.001  -9.892   1.561
  120    HE1  TYR  20           1HE      TYR  20   3.863 -11.520   5.043
  121    HE2  TYR  20           2HE      TYR  20   7.121  -8.977   3.863
  122    HH   TYR  20           HH       TYR  20   4.705  -9.327   6.111
  123    H    ARG  21           H        ARG  21   4.620  -8.276   0.007
  124    HA   ARG  21           HA       ARG  21   7.269  -7.916  -1.231
  125   1HB   ARG  21          2HB       ARG  21   4.979  -7.628  -2.803
  126   2HB   ARG  21          1HB       ARG  21   5.398  -5.977  -2.340
  127   1HG   ARG  21          2HG       ARG  21   7.113  -5.978  -3.793
  128   2HG   ARG  21          1HG       ARG  21   7.809  -7.388  -2.993
  129   1HD   ARG  21          2HD       ARG  21   5.688  -7.434  -5.160
  130   2HD   ARG  21          1HD       ARG  21   7.378  -7.901  -5.348
  131    HE   ARG  21           HE       ARG  21   5.492  -9.372  -3.548
  132   1HH1  ARG  21          1HH2      ARG  21   5.871 -10.395  -6.349
  133   2HH1  ARG  21          2HH2      ARG  21   7.131 -11.563  -6.136
  134   1HH2  ARG  21          1HH1      ARG  21   8.083 -10.366  -3.028
  135   2HH2  ARG  21          2HH1      ARG  21   8.381 -11.546  -4.259
  136    HA   PRO  22           HA       PRO  22   6.728  -5.065   2.224
  137   1HB   PRO  22          2HB       PRO  22   9.414  -4.920   2.786
  138   2HB   PRO  22          1HB       PRO  22   8.359  -6.221   3.369
  139   1HG   PRO  22          2HG       PRO  22  10.402  -6.296   1.196
  140   2HG   PRO  22          1HG       PRO  22   9.804  -7.613   2.219
  141   1HD   PRO  22          2HD       PRO  22   9.034  -7.105  -0.457
  142   2HD   PRO  22          1HD       PRO  22   8.216  -8.203   0.676
  143    H    LEU  23           H        LEU  23   6.120  -3.265   0.901
  144    HA   LEU  23           HA       LEU  23   8.271  -1.806  -0.545
  145   1HB   LEU  23          2HB       LEU  23   5.420  -0.885  -0.415
  146   2HB   LEU  23          1HB       LEU  23   6.572  -0.735  -1.741
  147    HG   LEU  23           HG       LEU  23   5.433  -3.387  -0.809
  148   1HD1  LEU  23          1HD1      LEU  23   3.729  -3.218  -2.381
  149   2HD1  LEU  23          2HD1      LEU  23   4.593  -2.015  -3.339
  150   3HD1  LEU  23          3HD1      LEU  23   3.827  -1.549  -1.820
  151   1HD2  LEU  23          1HD2      LEU  23   7.309  -3.940  -2.040
  152   2HD2  LEU  23          2HD2      LEU  23   7.262  -2.444  -2.969
  153   3HD2  LEU  23          3HD2      LEU  23   6.153  -3.758  -3.360
  154    H    CYS  24           H        CYS  24   8.853   0.333   0.043
  155    HA   CYS  24           HA       CYS  24   8.111   1.101   2.805
  156   1HB   CYS  24          2HB       CYS  24  10.481   1.309   2.045
  157   2HB   CYS  24          1HB       CYS  24   9.962   2.465   0.817
  158    H    GLY  25           H        GLY  25   5.963   1.792   2.630
  159   1HA   GLY  25          2HA       GLY  25   5.136   3.539   0.446
  160   2HA   GLY  25          1HA       GLY  25   4.130   3.005   1.786
  161    H    SER  26           H        SER  26   4.551   5.701   0.579
  162    HA   SER  26           HA       SER  26   6.059   7.407   2.266
  163   1HB   SER  26          2HB       SER  26   3.943   7.698   0.290
  164   2HB   SER  26          1HB       SER  26   3.771   8.865   1.597
  165    HG   SER  26           HG       SER  26   5.517   8.857  -0.418
  166    H    ASP  27           H        ASP  27   3.462   5.446   3.167
  167    HA   ASP  27           HA       ASP  27   2.265   7.238   5.107
  168   1HB   ASP  27          2HB       ASP  27   0.954   5.351   5.758
  169   2HB   ASP  27          1HB       ASP  27   1.170   5.196   4.015
  170    H    ASN  28           H        ASN  28   5.300   6.111   5.018
  171    HA   ASN  28           HA       ASN  28   6.930   6.150   6.717
  172   1HB   ASN  28          2HB       ASN  28   4.863   7.420   7.938
  173   2HB   ASN  28          1HB       ASN  28   4.989   5.979   8.948
  174   1HD2  ASN  28          1HD2      ASN  28   7.988   5.815   8.302
  175   2HD2  ASN  28          2HD2      ASN  28   8.689   7.007   9.288
  176    H    LYS  29           H        LYS  29   5.324   3.665   5.697
  177    HA   LYS  29           HA       LYS  29   6.657   1.860   7.617
  178   1HB   LYS  29          2HB       LYS  29   3.715   2.206   7.537
  179   2HB   LYS  29          1HB       LYS  29   4.295   0.539   7.540
  180   1HG   LYS  29          2HG       LYS  29   5.702   2.299   9.439
  181   2HG   LYS  29          1HG       LYS  29   3.989   2.073   9.800
  182   1HD   LYS  29          2HD       LYS  29   4.239  -0.160  10.251
  183   2HD   LYS  29          1HD       LYS  29   5.510  -0.368   9.046
  184   1HE   LYS  29          2HE       LYS  29   6.458   1.401  11.107
  185   2HE   LYS  29          1HE       LYS  29   5.818  -0.061  11.856
  186   1HZ   LYS  29          1HZ       LYS  29   7.226  -1.401  10.488
  187   2HZ   LYS  29          2HZ       LYS  29   8.192  -0.214  11.228
  188   3HZ   LYS  29          3HZ       LYS  29   7.745  -0.055   9.596
  189    H    THR  30           H        THR  30   6.203  -0.518   6.867
  190    HA   THR  30           HA       THR  30   6.691  -0.486   3.969
  191    HB   THR  30           HB       THR  30   6.800  -2.806   5.914
  192    HG1  THR  30           1HG      THR  30   8.331  -0.813   5.908
  193   1HG2  THR  30          1HG2      THR  30   8.373  -3.571   3.921
  194   2HG2  THR  30          2HG2      THR  30   7.362  -2.464   2.992
  195   3HG2  THR  30          3HG2      THR  30   6.631  -3.830   3.836
  196    H    TYR  31           H        TYR  31   5.529  -2.162   2.600
  197    HA   TYR  31           HA       TYR  31   2.689  -2.407   3.500
  198   1HB   TYR  31          2HB       TYR  31   3.957  -1.616   0.919
  199   2HB   TYR  31          1HB       TYR  31   2.476  -2.568   0.830
  200    HD1  TYR  31           1HD      TYR  31   3.628   0.685   0.794
  201    HD2  TYR  31           2HD      TYR  31   0.691  -1.741   2.789
  202    HE1  TYR  31           1HE      TYR  31   2.301   2.714   1.312
  203    HE2  TYR  31           2HE      TYR  31  -0.633   0.291   3.305
  204    HH   TYR  31           HH       TYR  31   0.500   3.525   2.311
  205    H    GLY  32           H        GLY  32   1.562  -4.349   2.776
  206   1HA   GLY  32          2HA       GLY  32   3.337  -6.690   2.728
  207   2HA   GLY  32          1HA       GLY  32   1.575  -6.728   2.814
  208    H    ASN  33           H        ASN  33   1.673  -4.717   0.437
  209    HA   ASN  33           HA       ASN  33   2.851  -5.852  -1.829
  210   1HB   ASN  33          2HB       ASN  33   0.787  -7.085  -2.759
  211   2HB   ASN  33          1HB       ASN  33   1.746  -7.928  -1.542
  212   1HD2  ASN  33          1HD2      ASN  33   0.520  -8.808   0.122
  213   2HD2  ASN  33          2HD2      ASN  33  -0.995  -8.234   0.627
  214    H    LYS  34           H        LYS  34   1.674  -5.166  -3.886
  215    HA   LYS  34           HA       LYS  34   0.894  -2.436  -3.706
  216   1HB   LYS  34          2HB       LYS  34   0.290  -2.641  -6.074
  217   2HB   LYS  34          1HB       LYS  34   1.806  -3.485  -5.768
  218   1HG   LYS  34          2HG       LYS  34   0.787  -5.213  -6.846
  219   2HG   LYS  34          1HG       LYS  34   0.002  -5.478  -5.288
  220   1HD   LYS  34          2HD       LYS  34  -1.941  -5.242  -6.431
  221   2HD   LYS  34          1HD       LYS  34  -1.576  -3.517  -6.409
  222   1HE   LYS  34          2HE       LYS  34  -0.084  -4.259  -8.535
  223   2HE   LYS  34          1HE       LYS  34  -1.362  -5.470  -8.639
  224   1HZ   LYS  34          1HZ       LYS  34  -1.492  -2.597  -9.025
  225   2HZ   LYS  34          2HZ       LYS  34  -2.791  -3.280  -8.170
  226   3HZ   LYS  34          3HZ       LYS  34  -2.416  -3.831  -9.732
  227    H    CYS  35           H        CYS  35  -0.901  -5.340  -3.236
  228    HA   CYS  35           HA       CYS  35  -3.508  -4.240  -3.887
  229   1HB   CYS  35          2HB       CYS  35  -3.088  -6.680  -3.805
  230   2HB   CYS  35          1HB       CYS  35  -2.764  -6.561  -2.076
  231    H    ASN  36           H        ASN  36  -1.445  -4.352  -1.050
  232    HA   ASN  36           HA       ASN  36  -3.486  -3.212   0.717
  233   1HB   ASN  36          2HB       ASN  36  -1.081  -4.623   1.067
  234   2HB   ASN  36          1HB       ASN  36  -0.739  -2.996   1.643
  235   1HD2  ASN  36          1HD2      ASN  36  -3.689  -5.072   1.797
  236   2HD2  ASN  36          2HD2      ASN  36  -3.890  -4.915   3.475
  237    H    PHE  37           H        PHE  37  -1.108  -2.146  -1.516
  238    HA   PHE  37           HA       PHE  37  -0.695   0.492  -0.361
  239   1HB   PHE  37          2HB       PHE  37   0.978  -0.624  -1.831
  240   2HB   PHE  37          1HB       PHE  37  -0.160  -0.523  -3.175
  241    HD1  PHE  37           1HD      PHE  37  -1.034   1.826  -3.828
  242    HD2  PHE  37           2HD      PHE  37   2.403   1.176  -1.331
  243    HE1  PHE  37           1HE      PHE  37  -0.249   4.128  -4.309
  244    HE2  PHE  37           2HE      PHE  37   3.186   3.479  -1.814
  245    HZ   PHE  37           HZ       PHE  37   1.861   4.953  -3.303
  246    H    CYS  38           H        CYS  38  -2.691  -0.872  -2.967
  247    HA   CYS  38           HA       CYS  38  -3.860   1.720  -3.623
  248   1HB   CYS  38          2HB       CYS  38  -4.505  -1.128  -4.417
  249   2HB   CYS  38          1HB       CYS  38  -5.488   0.239  -4.940
  250    H    CYS  39           H        CYS  39  -4.421  -0.766  -1.298
  251    HA   CYS  39           HA       CYS  39  -7.239  -0.073  -0.873
  252   1HB   CYS  39          2HB       CYS  39  -6.205  -2.364  -0.421
  253   2HB   CYS  39          1HB       CYS  39  -5.454  -1.636   1.000
  254    H    ALA  40           H        ALA  40  -4.154   0.483   0.802
  255    HA   ALA  40           HA       ALA  40  -5.284   2.008   2.960
  256   1HB   ALA  40          1HB       ALA  40  -3.057   1.177   3.259
  257   2HB   ALA  40          2HB       ALA  40  -2.902   2.929   3.133
  258   3HB   ALA  40          3HB       ALA  40  -2.509   1.908   1.750
  259    H    VAL  41           H        VAL  41  -4.397   2.731  -0.333
  260    HA   VAL  41           HA       VAL  41  -4.400   5.617  -0.039
  261    HB   VAL  41           HB       VAL  41  -4.614   3.745  -2.405
  262   1HG1  VAL  41          1HG1      VAL  41  -5.916   5.662  -3.054
  263   2HG1  VAL  41          2HG1      VAL  41  -4.323   5.862  -3.785
  264   3HG1  VAL  41          3HG1      VAL  41  -4.751   6.772  -2.336
  265   1HG2  VAL  41          1HG2      VAL  41  -2.369   4.076  -2.607
  266   2HG2  VAL  41          2HG2      VAL  41  -2.465   4.571  -0.917
  267   3HG2  VAL  41          3HG2      VAL  41  -2.489   5.786  -2.195
  268    H    VAL  42           H        VAL  42  -6.821   3.161  -0.757
  269    HA   VAL  42           HA       VAL  42  -8.903   4.971  -1.571
  270    HB   VAL  42           HB       VAL  42  -8.809   2.131  -0.588
  271   1HG1  VAL  42          1HG1      VAL  42 -11.223   3.920  -0.714
  272   2HG1  VAL  42          2HG1      VAL  42 -10.816   2.684   0.476
  273   3HG1  VAL  42          3HG1      VAL  42 -11.379   2.213  -1.128
  274   1HG2  VAL  42          1HG2      VAL  42  -8.747   3.428  -3.076
  275   2HG2  VAL  42          2HG2      VAL  42 -10.365   2.737  -2.963
  276   3HG2  VAL  42          3HG2      VAL  42  -8.950   1.699  -2.795
  277    H    GLU  43           H        GLU  43  -7.676   3.956   1.560
  278    HA   GLU  43           HA       GLU  43  -9.947   5.320   2.915
  279   1HB   GLU  43          2HB       GLU  43  -9.202   4.267   4.937
  280   2HB   GLU  43          1HB       GLU  43  -9.126   3.036   3.677
  281   1HG   GLU  43          2HG       GLU  43  -6.931   2.761   4.069
  282   2HG   GLU  43          1HG       GLU  43  -6.646   4.456   3.672
  283    H    SER  44           H        SER  44  -6.819   5.979   1.811
  284    HA   SER  44           HA       SER  44  -6.229   7.951   3.936
  285   1HB   SER  44          2HB       SER  44  -4.734   6.742   1.663
  286   2HB   SER  44          1HB       SER  44  -4.285   8.381   2.128
  287    HG   SER  44           HG       SER  44  -4.099   5.978   3.545
  288    H    ASN  45           H        ASN  45  -7.977   7.834   1.055
  289    HA   ASN  45           HA       ASN  45  -9.109   9.574  -0.064
  290   1HB   ASN  45          2HB       ASN  45  -8.781  10.698   2.309
  291   2HB   ASN  45          1HB       ASN  45  -7.567  11.651   1.454
  292   1HD2  ASN  45          1HD2      ASN  45  -9.244  11.323  -1.116
  293   2HD2  ASN  45          2HD2      ASN  45 -10.492  12.459  -0.935
  294    H    GLY  46           H        GLY  46  -6.381   8.473  -0.705
  295   1HA   GLY  46          2HA       GLY  46  -4.947   8.815  -2.554
  296   2HA   GLY  46          1HA       GLY  46  -5.783  10.338  -2.869
  297    H    THR  47           H        THR  47  -4.718   9.925   0.366
  298    HA   THR  47           HA       THR  47  -2.556  11.910  -0.143
  299    HB   THR  47           HB       THR  47  -2.774  12.540   2.176
  300    HG1  THR  47           1HG      THR  47  -3.071  10.607   3.175
  301   1HG2  THR  47          1HG2      THR  47  -5.037  12.461   0.367
  302   2HG2  THR  47          2HG2      THR  47  -4.539  13.744   1.468
  303   3HG2  THR  47          3HG2      THR  47  -5.578  12.440   2.045
  304    H    LEU  48           H        LEU  48  -2.565   8.811  -0.322
  305    HA   LEU  48           HA       LEU  48  -0.146   8.435   1.391
  306   1HB   LEU  48          2HB       LEU  48  -2.385   7.087   1.870
  307   2HB   LEU  48          1HB       LEU  48  -1.819   6.103   0.520
  308    HG   LEU  48           HG       LEU  48   0.265   5.631   1.649
  309   1HD1  LEU  48          1HD1      LEU  48  -0.045   6.669   4.237
  310   2HD1  LEU  48          2HD1      LEU  48  -0.472   8.001   3.164
  311   3HD1  LEU  48          3HD1      LEU  48   1.102   7.219   3.015
  312   1HD2  LEU  48          1HD2      LEU  48  -1.617   4.215   2.299
  313   2HD2  LEU  48          2HD2      LEU  48  -2.107   5.386   3.523
  314   3HD2  LEU  48          3HD2      LEU  48  -0.591   4.504   3.705
  315    H    THR  49           H        THR  49   1.577   7.191   0.391
  316    HA   THR  49           HA       THR  49   1.191   6.458  -2.442
  317    HB   THR  49           HB       THR  49   2.636   8.004  -3.371
  318    HG1  THR  49           1HG      THR  49   4.436   8.534  -2.428
  319   1HG2  THR  49          1HG2      THR  49   2.120  10.210  -2.464
  320   2HG2  THR  49          2HG2      THR  49   1.641   9.491  -0.926
  321   3HG2  THR  49          3HG2      THR  49   0.686   9.187  -2.376
  322    H    LEU  50           H        LEU  50   3.969   6.417  -3.000
  323    HA   LEU  50           HA       LEU  50   4.877   4.064  -1.398
  324   1HB   LEU  50          2HB       LEU  50   4.355   3.800  -3.884
  325   2HB   LEU  50          1HB       LEU  50   5.704   4.886  -4.202
  326    HG   LEU  50           HG       LEU  50   7.244   3.339  -3.088
  327   1HD1  LEU  50          1HD1      LEU  50   4.746   2.249  -2.091
  328   2HD1  LEU  50          2HD1      LEU  50   6.390   1.949  -1.525
  329   3HD1  LEU  50          3HD1      LEU  50   5.721   0.987  -2.843
  330   1HD2  LEU  50          1HD2      LEU  50   6.440   1.239  -4.644
  331   2HD2  LEU  50          2HD2      LEU  50   7.322   2.640  -5.248
  332   3HD2  LEU  50          3HD2      LEU  50   5.564   2.576  -5.389
  333    H    SER  51           H        SER  51   7.392   3.937  -1.417
  334    HA   SER  51           HA       SER  51   8.629   6.643  -1.392
  335   1HB   SER  51          2HB       SER  51   9.401   4.791   0.809
  336   2HB   SER  51          1HB       SER  51   9.294   6.547   0.806
  337    HG   SER  51           HG       SER  51   7.103   6.407   1.021
  338    H    HIS  52           H        HIS  52   9.256   3.134  -1.032
  339    HA   HIS  52           HA       HIS  52  11.068   2.984  -3.183
  340   1HB   HIS  52          2HB       HIS  52  13.229   3.117  -2.222
  341   2HB   HIS  52          1HB       HIS  52  12.378   4.513  -1.569
  342    HD1  HIS  52           1HD      HIS  52  13.671   1.114  -0.609
  343    HD2  HIS  52           2HD      HIS  52  11.896   4.412   1.221
  344    HE1  HIS  52           1HE      HIS  52  13.866   0.738   1.886
  345    H    PHE  53           H        PHE  53  10.461   0.944  -3.626
  346    HA   PHE  53           HA       PHE  53   9.488  -1.076  -2.066
  347   1HB   PHE  53          2HB       PHE  53  11.093  -0.994  -4.541
  348   2HB   PHE  53          1HB       PHE  53  11.158  -2.529  -3.679
  349    HD1  PHE  53           1HD      PHE  53   9.667  -4.069  -4.581
  350    HD2  PHE  53           2HD      PHE  53   8.475   0.040  -4.223
  351    HE1  PHE  53           1HE      PHE  53   7.417  -4.648  -5.448
  352    HE2  PHE  53           2HE      PHE  53   6.226  -0.539  -5.089
  353    HZ   PHE  53           HZ       PHE  53   5.697  -2.879  -5.704
  354    H    GLY  54           H        GLY  54  10.199  -1.969  -0.207
  355   1HA   GLY  54          2HA       GLY  54  12.113  -3.481   0.622
  356   2HA   GLY  54          1HA       GLY  54  13.143  -2.087   0.289
  357    H    LYS  55           H        LYS  55  12.485  -3.457   2.890
  358    HA   LYS  55           HA       LYS  55  10.733  -2.137   4.568
  359   1HB   LYS  55          2HB       LYS  55  12.388  -3.932   5.244
  360   2HB   LYS  55          1HB       LYS  55  13.617  -2.669   5.332
  361   1HG   LYS  55          2HG       LYS  55  12.934  -2.402   7.479
  362   2HG   LYS  55          1HG       LYS  55  11.540  -1.573   6.784
  363   1HD   LYS  55          2HD       LYS  55  10.165  -3.203   7.502
  364   2HD   LYS  55          1HD       LYS  55  11.118  -4.419   6.652
  365   1HE   LYS  55          2HE       LYS  55  12.770  -4.056   8.711
  366   2HE   LYS  55          1HE       LYS  55  11.284  -3.532   9.505
  367   1HZ   LYS  55          1HZ       LYS  55  10.253  -5.599   9.008
  368   2HZ   LYS  55          2HZ       LYS  55  11.759  -5.946   9.714
  369   3HZ   LYS  55          3HZ       LYS  55  11.549  -6.095   8.034
  370    H    CYS  56           H        CYS  56  10.442  -0.043   5.176
  371    HA   CYS  56           HA       CYS  56  11.843   2.108   4.040
  372   1HB   CYS  56          2HB       CYS  56  10.383   1.946   6.692
  373   2HB   CYS  56          1HB       CYS  56  10.974   3.459   5.999
  Start of MODEL    2
    1   1H    ALA   3          1HT       ALA   3  -0.430   8.072  -6.141
    2   2H    ALA   3          2HT       ALA   3  -0.639   9.602  -5.431
    3   3H    ALA   3          3HT       ALA   3   0.831   9.205  -6.184
    4    HA   ALA   3           HA       ALA   3  -1.101   8.797  -8.107
    5   1HB   ALA   3          1HB       ALA   3  -2.517  10.207  -6.500
    6   2HB   ALA   3          2HB       ALA   3  -2.386  10.806  -8.154
    7   3HB   ALA   3          3HB       ALA   3  -1.422  11.539  -6.871
    8    H    VAL   4           H        VAL   4   1.631   8.756  -8.044
    9    HA   VAL   4           HA       VAL   4   2.326  11.198  -9.607
   10    HB   VAL   4           HB       VAL   4   4.736  10.649  -8.694
   11   1HG1  VAL   4          1HG1      VAL   4   3.329  11.812  -6.446
   12   2HG1  VAL   4          2HG1      VAL   4   2.683  12.435  -7.965
   13   3HG1  VAL   4          3HG1      VAL   4   4.402  12.592  -7.606
   14   1HG2  VAL   4          1HG2      VAL   4   3.412   8.613  -7.473
   15   2HG2  VAL   4          2HG2      VAL   4   3.321   9.843  -6.213
   16   3HG2  VAL   4          3HG2      VAL   4   4.891   9.329  -6.831
   17    H    SER   5           H        SER   5   1.677   8.105  -9.931
   18    HA   SER   5           HA       SER   5   2.553   7.600 -12.456
   19   1HB   SER   5          2HB       SER   5   4.743   6.203 -11.838
   20   2HB   SER   5          1HB       SER   5   4.832   7.918 -12.228
   21    HG   SER   5           HG       SER   5   5.618   8.144 -10.300
   22    H    VAL   6           H        VAL   6   0.621   6.672 -10.541
   23    HA   VAL   6           HA       VAL   6   1.041   3.748 -10.878
   24    HB   VAL   6           HB       VAL   6   1.730   4.233  -8.571
   25   1HG1  VAL   6          1HG1      VAL   6  -0.320   6.173  -8.742
   26   2HG1  VAL   6          2HG1      VAL   6   0.718   5.838  -7.356
   27   3HG1  VAL   6          3HG1      VAL   6  -0.839   5.024  -7.509
   28   1HG2  VAL   6          1HG2      VAL   6   0.368   2.613  -7.504
   29   2HG2  VAL   6          2HG2      VAL   6   0.248   2.208  -9.217
   30   3HG2  VAL   6          3HG2      VAL   6  -1.061   3.086  -8.424
   31    H    ASP   7           H        ASP   7  -0.787   2.801 -11.672
   32    HA   ASP   7           HA       ASP   7  -3.268   4.447 -11.714
   33   1HB   ASP   7          2HB       ASP   7  -2.033   2.484 -13.531
   34   2HB   ASP   7          1HB       ASP   7  -3.772   2.282 -13.324
   35    H    CYS   8           H        CYS   8  -3.505   3.769  -9.351
   36    HA   CYS   8           HA       CYS   8  -4.850   1.100  -9.232
   37   1HB   CYS   8          2HB       CYS   8  -2.591   1.783  -7.828
   38   2HB   CYS   8          1HB       CYS   8  -3.865   2.200  -6.681
   39    H    SER   9           H        SER   9  -5.937   3.824  -9.811
   40    HA   SER   9           HA       SER   9  -7.428   4.587  -7.413
   41   1HB   SER   9          2HB       SER   9  -8.257   5.528 -10.120
   42   2HB   SER   9          1HB       SER   9  -8.118   6.431  -8.613
   43    HG   SER   9           HG       SER   9  -6.260   5.947 -10.578
   44    H    GLU  10           H        GLU  10  -7.713   1.876  -8.881
   45    HA   GLU  10           HA       GLU  10 -10.646   1.773  -8.606
   46   1HB   GLU  10          2HB       GLU  10  -9.538   1.997 -11.129
   47   2HB   GLU  10          1HB       GLU  10  -9.686   0.250 -10.931
   48   1HG   GLU  10          2HG       GLU  10 -12.074   1.396  -9.908
   49   2HG   GLU  10          1HG       GLU  10 -11.758   2.169 -11.462
   50    H    TYR  11           H        TYR  11  -8.212   0.777  -7.152
   51    HA   TYR  11           HA       TYR  11  -8.796  -2.152  -7.388
   52   1HB   TYR  11          2HB       TYR  11  -6.307  -0.739  -7.488
   53   2HB   TYR  11          1HB       TYR  11  -6.328  -1.739  -6.036
   54    HD1  TYR  11           1HD      TYR  11  -7.628  -2.092  -9.549
   55    HD2  TYR  11           2HD      TYR  11  -5.352  -3.823  -6.342
   56    HE1  TYR  11           1HE      TYR  11  -7.216  -4.110 -10.930
   57    HE2  TYR  11           2HE      TYR  11  -4.941  -5.840  -7.723
   58    HH   TYR  11           HH       TYR  11  -5.576  -5.939 -11.066
   59    HA   PRO  12           HA       PRO  12  -9.573  -0.554  -2.997
   60   1HB   PRO  12          2HB       PRO  12 -12.319  -0.481  -3.047
   61   2HB   PRO  12          1HB       PRO  12 -11.302   0.928  -3.399
   62   1HG   PRO  12          2HG       PRO  12 -12.812  -0.826  -5.299
   63   2HG   PRO  12          1HG       PRO  12 -12.415   0.896  -5.434
   64   1HD   PRO  12          2HD       PRO  12 -11.061  -1.160  -6.773
   65   2HD   PRO  12          1HD       PRO  12 -10.429   0.476  -6.481
   66    H    LYS  13           H        LYS  13  -8.845  -2.787  -2.625
   67    HA   LYS  13           HA       LYS  13 -11.030  -4.565  -1.860
   68   1HB   LYS  13          2HB       LYS  13 -10.082  -6.468  -3.282
   69   2HB   LYS  13          1HB       LYS  13 -10.983  -5.227  -4.154
   70   1HG   LYS  13          2HG       LYS  13  -8.883  -4.114  -4.780
   71   2HG   LYS  13          1HG       LYS  13  -7.963  -5.317  -3.875
   72   1HD   LYS  13          2HD       LYS  13  -9.810  -6.592  -5.719
   73   2HD   LYS  13          1HD       LYS  13  -8.732  -5.482  -6.567
   74   1HE   LYS  13          2HE       LYS  13  -7.450  -7.430  -6.535
   75   2HE   LYS  13          1HE       LYS  13  -6.873  -6.607  -5.085
   76   1HZ   LYS  13          1HZ       LYS  13  -9.060  -8.611  -5.099
   77   2HZ   LYS  13          2HZ       LYS  13  -8.318  -7.914  -3.738
   78   3HZ   LYS  13          3HZ       LYS  13  -7.444  -8.974  -4.737
   79    H    CYS  14           H        CYS  14 -10.073  -4.486   0.204
   80    HA   CYS  14           HA       CYS  14  -7.250  -5.297   0.496
   81   1HB   CYS  14          2HB       CYS  14  -9.131  -4.895   2.806
   82   2HB   CYS  14          1HB       CYS  14  -7.403  -4.560   2.710
   83    H    ALA  15           H        ALA  15  -9.311  -7.201  -0.527
   84    HA   ALA  15           HA       ALA  15  -9.408  -9.173   1.702
   85   1HB   ALA  15          1HB       ALA  15 -10.640  -9.965  -0.837
   86   2HB   ALA  15          2HB       ALA  15 -11.301  -8.460  -0.197
   87   3HB   ALA  15          3HB       ALA  15 -11.338  -9.926   0.782
   88    H    CYS  16           H        CYS  16  -6.857  -8.795   0.739
   89    HA   CYS  16           HA       CYS  16  -6.355 -10.860  -1.319
   90   1HB   CYS  16          2HB       CYS  16  -4.610  -8.840   0.092
   91   2HB   CYS  16          1HB       CYS  16  -3.928 -10.115  -0.917
   92    H    THR  17           H        THR  17  -4.348 -12.302  -0.770
   93    HA   THR  17           HA       THR  17  -4.978 -13.630   1.807
   94    HB   THR  17           HB       THR  17  -3.163 -15.263   0.603
   95    HG1  THR  17           1HG      THR  17  -4.697 -14.228  -1.521
   96   1HG2  THR  17          1HG2      THR  17  -5.030 -16.624   0.016
   97   2HG2  THR  17          2HG2      THR  17  -6.074 -15.221  -0.203
   98   3HG2  THR  17          3HG2      THR  17  -5.550 -15.685   1.416
   99    H    MET  18           H        MET  18  -1.828 -13.900   0.272
  100    HA   MET  18           HA       MET  18  -0.601 -12.128   2.294
  101   1HB   MET  18          2HB       MET  18  -0.484 -15.103   2.347
  102   2HB   MET  18          1HB       MET  18   1.014 -14.239   2.689
  103   1HG   MET  18          2HG       MET  18  -1.598 -13.572   4.059
  104   2HG   MET  18          1HG       MET  18  -0.452 -14.741   4.713
  105   1HE   MET  18          1HE       MET  18  -1.799 -12.301   5.681
  106   2HE   MET  18          2HE       MET  18  -0.866 -10.824   5.916
  107   3HE   MET  18          3HE       MET  18  -0.578 -12.216   6.958
  108    H    GLU  19           H        GLU  19  -0.541 -11.596  -0.388
  109    HA   GLU  19           HA       GLU  19   1.615 -12.795  -1.842
  110   1HB   GLU  19          2HB       GLU  19  -0.084 -11.340  -2.908
  111   2HB   GLU  19          1HB       GLU  19   0.546  -9.956  -2.012
  112   1HG   GLU  19          2HG       GLU  19   1.643  -9.768  -4.079
  113   2HG   GLU  19          1HG       GLU  19   2.833 -10.610  -3.086
  114    H    TYR  20           H        TYR  20   3.835 -12.488  -1.637
  115    HA   TYR  20           HA       TYR  20   4.700 -10.726   0.570
  116   1HB   TYR  20          2HB       TYR  20   5.554 -13.188  -0.085
  117   2HB   TYR  20          1HB       TYR  20   6.711 -12.223  -1.007
  118    HD1  TYR  20           1HD      TYR  20   8.333 -10.805   0.078
  119    HD2  TYR  20           2HD      TYR  20   5.403 -12.941   2.377
  120    HE1  TYR  20           1HE      TYR  20   9.570 -10.260   2.156
  121    HE2  TYR  20           2HE      TYR  20   6.640 -12.399   4.457
  122    HH   TYR  20           HH       TYR  20   8.548 -10.153   4.928
  123    H    ARG  21           H        ARG  21   4.970  -8.680   0.029
  124    HA   ARG  21           HA       ARG  21   6.967  -7.877  -1.914
  125   1HB   ARG  21          2HB       ARG  21   4.435  -8.173  -2.978
  126   2HB   ARG  21          1HB       ARG  21   4.446  -6.473  -2.509
  127   1HG   ARG  21          2HG       ARG  21   5.677  -5.995  -4.322
  128   2HG   ARG  21          1HG       ARG  21   6.966  -7.025  -3.699
  129   1HD   ARG  21          2HD       ARG  21   4.675  -7.820  -5.506
  130   2HD   ARG  21          1HD       ARG  21   6.403  -7.903  -5.852
  131    HE   ARG  21           HE       ARG  21   4.986  -9.684  -3.913
  132   1HH1  ARG  21          1HH2      ARG  21   7.893  -9.452  -3.373
  133   2HH1  ARG  21          2HH2      ARG  21   8.566 -10.714  -4.350
  134   1HH2  ARG  21          1HH1      ARG  21   5.729 -11.072  -6.311
  135   2HH2  ARG  21          2HH1      ARG  21   7.341 -11.631  -6.013
  136    HA   PRO  22           HA       PRO  22   6.389  -5.193   1.740
  137   1HB   PRO  22          2HB       PRO  22   9.088  -4.942   2.221
  138   2HB   PRO  22          1HB       PRO  22   8.087  -6.252   2.870
  139   1HG   PRO  22          2HG       PRO  22  10.050  -6.324   0.619
  140   2HG   PRO  22          1HG       PRO  22   9.554  -7.623   1.717
  141   1HD   PRO  22          2HD       PRO  22   8.653  -7.303  -0.931
  142   2HD   PRO  22          1HD       PRO  22   7.876  -8.314   0.306
  143    H    LEU  23           H        LEU  23   5.797  -3.208   0.868
  144    HA   LEU  23           HA       LEU  23   7.884  -1.769  -0.737
  145   1HB   LEU  23          2HB       LEU  23   4.883  -1.800  -0.875
  146   2HB   LEU  23          1HB       LEU  23   5.769  -0.390  -1.456
  147    HG   LEU  23           HG       LEU  23   5.989  -3.251  -2.426
  148   1HD1  LEU  23          1HD1      LEU  23   4.158  -1.665  -3.260
  149   2HD1  LEU  23          2HD1      LEU  23   5.189  -2.386  -4.497
  150   3HD1  LEU  23          3HD1      LEU  23   5.454  -0.718  -3.990
  151   1HD2  LEU  23          1HD2      LEU  23   7.879  -0.955  -2.617
  152   2HD2  LEU  23          2HD2      LEU  23   7.618  -1.898  -4.085
  153   3HD2  LEU  23          3HD2      LEU  23   8.210  -2.687  -2.626
  154    H    CYS  24           H        CYS  24   8.452   0.314  -0.073
  155    HA   CYS  24           HA       CYS  24   7.539   1.052   2.643
  156   1HB   CYS  24          2HB       CYS  24  10.004   0.983   1.825
  157   2HB   CYS  24          1HB       CYS  24   9.630   2.522   1.050
  158    H    GLY  25           H        GLY  25   5.527   2.068   2.394
  159   1HA   GLY  25          2HA       GLY  25   4.941   3.952   0.295
  160   2HA   GLY  25          1HA       GLY  25   4.029   3.792   1.796
  161    H    SER  26           H        SER  26   4.791   6.258   0.426
  162    HA   SER  26           HA       SER  26   7.032   7.564   1.554
  163   1HB   SER  26          2HB       SER  26   5.355   8.388  -0.247
  164   2HB   SER  26          1HB       SER  26   4.433   9.009   1.119
  165    HG   SER  26           HG       SER  26   5.763  10.635   0.929
  166    H    ASP  27           H        ASP  27   4.236   6.462   3.180
  167    HA   ASP  27           HA       ASP  27   4.306   8.482   5.292
  168   1HB   ASP  27          2HB       ASP  27   2.578   7.193   6.335
  169   2HB   ASP  27          1HB       ASP  27   2.261   7.119   4.600
  170    H    ASN  28           H        ASN  28   6.639   6.454   4.537
  171    HA   ASN  28           HA       ASN  28   8.409   5.524   5.755
  172   1HB   ASN  28          2HB       ASN  28   7.265   7.509   7.458
  173   2HB   ASN  28          1HB       ASN  28   7.606   6.090   8.446
  174   1HD2  ASN  28          1HD2      ASN  28   9.888   5.223   8.333
  175   2HD2  ASN  28          2HD2      ASN  28  11.155   6.294   7.976
  176    H    LYS  29           H        LYS  29   6.119   3.960   5.098
  177    HA   LYS  29           HA       LYS  29   6.182   2.043   7.387
  178   1HB   LYS  29          2HB       LYS  29   3.951   3.531   6.709
  179   2HB   LYS  29          1HB       LYS  29   3.681   2.009   5.860
  180   1HG   LYS  29          2HG       LYS  29   4.141   0.787   7.989
  181   2HG   LYS  29          1HG       LYS  29   4.268   2.340   8.816
  182   1HD   LYS  29          2HD       LYS  29   1.877   2.561   7.430
  183   2HD   LYS  29          1HD       LYS  29   1.878   0.879   7.964
  184   1HE   LYS  29          2HE       LYS  29   2.758   2.853   9.989
  185   2HE   LYS  29          1HE       LYS  29   1.058   2.947   9.528
  186   1HZ   LYS  29          1HZ       LYS  29   0.702   1.222  10.846
  187   2HZ   LYS  29          2HZ       LYS  29   2.363   1.022  11.139
  188   3HZ   LYS  29          3HZ       LYS  29   1.634   0.262   9.806
  189    H    THR  30           H        THR  30   5.555  -0.193   6.680
  190    HA   THR  30           HA       THR  30   6.302  -0.657   3.822
  191    HB   THR  30           HB       THR  30   6.909  -2.512   6.137
  192    HG1  THR  30           1HG      THR  30   8.854  -1.604   6.253
  193   1HG2  THR  30          1HG2      THR  30   6.715  -3.361   3.723
  194   2HG2  THR  30          2HG2      THR  30   8.216  -3.727   4.574
  195   3HG2  THR  30          3HG2      THR  30   8.167  -2.416   3.396
  196    H    TYR  31           H        TYR  31   4.656  -1.656   2.715
  197    HA   TYR  31           HA       TYR  31   2.500  -2.909   4.307
  198   1HB   TYR  31          2HB       TYR  31   1.947  -3.134   1.530
  199   2HB   TYR  31          1HB       TYR  31   1.165  -2.100   2.709
  200    HD1  TYR  31           1HD      TYR  31   2.785   0.031   3.384
  201    HD2  TYR  31           2HD      TYR  31   2.705  -2.088  -0.348
  202    HE1  TYR  31           1HE      TYR  31   3.697   2.025   2.225
  203    HE2  TYR  31           2HE      TYR  31   3.625  -0.102  -1.501
  204    HH   TYR  31           HH       TYR  31   5.070   1.943  -0.748
  205    H    GLY  32           H        GLY  32   1.627  -5.021   3.539
  206   1HA   GLY  32          2HA       GLY  32   3.789  -6.943   3.242
  207   2HA   GLY  32          1HA       GLY  32   2.068  -7.326   3.319
  208    H    ASN  33           H        ASN  33   1.835  -5.149   1.053
  209    HA   ASN  33           HA       ASN  33   3.177  -6.110  -1.244
  210   1HB   ASN  33          2HB       ASN  33   1.208  -7.382  -2.271
  211   2HB   ASN  33          1HB       ASN  33   2.117  -8.227  -1.018
  212   1HD2  ASN  33          1HD2      ASN  33   0.418  -9.485  -0.102
  213   2HD2  ASN  33          2HD2      ASN  33  -0.960  -8.803   0.617
  214    H    LYS  34           H        LYS  34   2.016  -5.394  -3.290
  215    HA   LYS  34           HA       LYS  34   1.153  -2.704  -3.044
  216   1HB   LYS  34          2HB       LYS  34   1.550  -4.634  -5.182
  217   2HB   LYS  34          1HB       LYS  34   0.120  -3.646  -5.476
  218   1HG   LYS  34          2HG       LYS  34   1.624  -1.636  -4.846
  219   2HG   LYS  34          1HG       LYS  34   2.972  -2.747  -5.091
  220   1HD   LYS  34          2HD       LYS  34   2.784  -2.598  -7.332
  221   2HD   LYS  34          1HD       LYS  34   1.055  -2.942  -7.263
  222   1HE   LYS  34          2HE       LYS  34   1.357  -0.732  -8.221
  223   2HE   LYS  34          1HE       LYS  34   0.664  -0.553  -6.609
  224   1HZ   LYS  34          1HZ       LYS  34   3.082   0.475  -7.592
  225   2HZ   LYS  34          2HZ       LYS  34   3.437  -0.618  -6.341
  226   3HZ   LYS  34          3HZ       LYS  34   2.390   0.690  -6.060
  227    H    CYS  35           H        CYS  35  -0.545  -5.616  -2.499
  228    HA   CYS  35           HA       CYS  35  -3.187  -4.661  -3.244
  229   1HB   CYS  35          2HB       CYS  35  -2.752  -7.067  -3.038
  230   2HB   CYS  35          1HB       CYS  35  -2.331  -6.862  -1.337
  231    H    ASN  36           H        ASN  36  -1.183  -4.611  -0.359
  232    HA   ASN  36           HA       ASN  36  -3.285  -3.438   1.309
  233   1HB   ASN  36          2HB       ASN  36  -0.903  -4.801   1.812
  234   2HB   ASN  36          1HB       ASN  36  -0.531  -3.136   2.246
  235   1HD2  ASN  36          1HD2      ASN  36  -3.239  -5.486   2.703
  236   2HD2  ASN  36          2HD2      ASN  36  -3.562  -5.021   4.302
  237    H    PHE  37           H        PHE  37  -0.846  -2.405  -0.887
  238    HA   PHE  37           HA       PHE  37  -0.548   0.291   0.159
  239   1HB   PHE  37          2HB       PHE  37   1.169  -0.851  -1.274
  240   2HB   PHE  37          1HB       PHE  37   0.048  -0.754  -2.630
  241    HD1  PHE  37           1HD      PHE  37   0.279   1.064  -4.063
  242    HD2  PHE  37           2HD      PHE  37   1.425   1.492   0.057
  243    HE1  PHE  37           1HE      PHE  37   1.007   3.393  -4.506
  244    HE2  PHE  37           2HE      PHE  37   2.159   3.825  -0.384
  245    HZ   PHE  37           HZ       PHE  37   1.944   4.769  -2.671
  246    H    CYS  38           H        CYS  38  -2.395  -1.221  -2.477
  247    HA   CYS  38           HA       CYS  38  -3.671   1.281  -3.244
  248   1HB   CYS  38          2HB       CYS  38  -4.314  -1.610  -3.904
  249   2HB   CYS  38          1HB       CYS  38  -5.141  -0.224  -4.616
  250    H    CYS  39           H        CYS  39  -4.170  -1.113  -0.823
  251    HA   CYS  39           HA       CYS  39  -7.022  -0.623  -0.460
  252   1HB   CYS  39          2HB       CYS  39  -6.176  -2.745   0.307
  253   2HB   CYS  39          1HB       CYS  39  -4.916  -1.961   1.259
  254    H    ALA  40           H        ALA  40  -4.022   0.422   1.120
  255    HA   ALA  40           HA       ALA  40  -5.445   2.190   2.961
  256   1HB   ALA  40          1HB       ALA  40  -2.641   1.385   2.467
  257   2HB   ALA  40          2HB       ALA  40  -3.472   1.695   3.992
  258   3HB   ALA  40          3HB       ALA  40  -2.849   3.041   3.037
  259    H    VAL  41           H        VAL  41  -4.262   2.350  -0.262
  260    HA   VAL  41           HA       VAL  41  -3.950   5.251  -0.347
  261    HB   VAL  41           HB       VAL  41  -4.125   3.116  -2.487
  262   1HG1  VAL  41          1HG1      VAL  41  -3.577   6.075  -2.862
  263   2HG1  VAL  41          2HG1      VAL  41  -5.106   5.290  -3.262
  264   3HG1  VAL  41          3HG1      VAL  41  -3.633   4.845  -4.125
  265   1HG2  VAL  41          1HG2      VAL  41  -1.790   4.928  -2.105
  266   2HG2  VAL  41          2HG2      VAL  41  -1.827   3.217  -2.536
  267   3HG2  VAL  41          3HG2      VAL  41  -2.062   3.709  -0.860
  268    H    VAL  42           H        VAL  42  -6.479   2.909  -1.098
  269    HA   VAL  42           HA       VAL  42  -8.261   4.999  -2.141
  270    HB   VAL  42           HB       VAL  42  -8.850   2.098  -1.475
  271   1HG1  VAL  42          1HG1      VAL  42 -10.528   4.283  -2.185
  272   2HG1  VAL  42          2HG1      VAL  42 -10.970   2.582  -2.053
  273   3HG1  VAL  42          3HG1      VAL  42 -10.419   3.232  -3.597
  274   1HG2  VAL  42          1HG2      VAL  42  -7.042   2.859  -3.300
  275   2HG2  VAL  42          2HG2      VAL  42  -8.498   3.108  -4.265
  276   3HG2  VAL  42          3HG2      VAL  42  -8.145   1.514  -3.596
  277    H    GLU  43           H        GLU  43  -7.431   3.710   0.917
  278    HA   GLU  43           HA       GLU  43 -10.036   4.500   2.106
  279   1HB   GLU  43          2HB       GLU  43  -9.375   3.327   4.054
  280   2HB   GLU  43          1HB       GLU  43  -8.763   2.338   2.729
  281   1HG   GLU  43          2HG       GLU  43  -6.890   2.462   4.113
  282   2HG   GLU  43          1HG       GLU  43  -6.598   3.808   3.010
  283    H    SER  44           H        SER  44  -6.830   5.685   1.640
  284    HA   SER  44           HA       SER  44  -7.211   7.743   3.764
  285   1HB   SER  44          2HB       SER  44  -4.990   6.292   3.165
  286   2HB   SER  44          1HB       SER  44  -4.712   7.715   2.166
  287    HG   SER  44           HG       SER  44  -3.993   7.719   4.481
  288    H    ASN  45           H        ASN  45  -8.239   7.417   0.769
  289    HA   ASN  45           HA       ASN  45  -8.961   8.975  -0.830
  290   1HB   ASN  45          2HB       ASN  45  -9.261  10.446   1.227
  291   2HB   ASN  45          1HB       ASN  45  -7.659  11.102   0.884
  292   1HD2  ASN  45          1HD2      ASN  45  -7.878  13.063  -0.201
  293   2HD2  ASN  45          2HD2      ASN  45  -9.019  13.383  -1.416
  294    H    GLY  46           H        GLY  46  -6.052   7.887  -0.430
  295   1HA   GLY  46          2HA       GLY  46  -4.410   7.832  -2.203
  296   2HA   GLY  46          1HA       GLY  46  -4.957   9.430  -2.720
  297    H    THR  47           H        THR  47  -4.451   8.828   0.667
  298    HA   THR  47           HA       THR  47  -2.417  10.916   0.748
  299    HB   THR  47           HB       THR  47  -3.588   9.115   2.881
  300    HG1  THR  47           1HG      THR  47  -4.727  10.967   1.706
  301   1HG2  THR  47          1HG2      THR  47  -1.897   9.767   4.201
  302   2HG2  THR  47          2HG2      THR  47  -2.417  11.438   3.984
  303   3HG2  THR  47          3HG2      THR  47  -1.216  10.739   2.897
  304    H    LEU  48           H        LEU  48  -2.505   7.397   0.980
  305    HA   LEU  48           HA       LEU  48   0.264   7.150   1.829
  306   1HB   LEU  48          2HB       LEU  48  -1.740   5.415   1.939
  307   2HB   LEU  48          1HB       LEU  48  -1.146   4.960   0.341
  308    HG   LEU  48           HG       LEU  48   1.193   4.893   1.478
  309   1HD1  LEU  48          1HD1      LEU  48   0.870   5.817   3.600
  310   2HD1  LEU  48          2HD1      LEU  48   0.769   4.091   3.947
  311   3HD1  LEU  48          3HD1      LEU  48  -0.705   5.049   3.803
  312   1HD2  LEU  48          1HD2      LEU  48   0.944   2.620   1.538
  313   2HD2  LEU  48          2HD2      LEU  48  -0.649   2.980   0.871
  314   3HD2  LEU  48          3HD2      LEU  48  -0.460   2.704   2.603
  315    H    THR  49           H        THR  49   2.083   6.711   0.499
  316    HA   THR  49           HA       THR  49   1.658   6.633  -2.430
  317    HB   THR  49           HB       THR  49   3.349   8.485  -2.725
  318    HG1  THR  49           1HG      THR  49   3.514   9.857  -0.852
  319   1HG2  THR  49          1HG2      THR  49   1.708  10.146  -2.653
  320   2HG2  THR  49          2HG2      THR  49   0.985   9.501  -1.179
  321   3HG2  THR  49          3HG2      THR  49   0.747   8.669  -2.716
  322    H    LEU  50           H        LEU  50   4.398   7.062  -3.089
  323    HA   LEU  50           HA       LEU  50   5.601   4.606  -1.890
  324   1HB   LEU  50          2HB       LEU  50   5.211   4.271  -4.230
  325   2HB   LEU  50          1HB       LEU  50   5.844   5.866  -4.633
  326    HG   LEU  50           HG       LEU  50   8.072   5.043  -3.627
  327   1HD1  LEU  50          1HD1      LEU  50   8.277   2.890  -2.952
  328   2HD1  LEU  50          2HD1      LEU  50   7.381   2.285  -4.345
  329   3HD1  LEU  50          3HD1      LEU  50   6.515   2.862  -2.922
  330   1HD2  LEU  50          1HD2      LEU  50   7.821   5.358  -6.010
  331   2HD2  LEU  50          2HD2      LEU  50   6.903   3.859  -6.161
  332   3HD2  LEU  50          3HD2      LEU  50   8.619   3.805  -5.757
  333    H    SER  51           H        SER  51   7.906   4.660  -1.443
  334    HA   SER  51           HA       SER  51   9.251   7.281  -1.642
  335   1HB   SER  51          2HB       SER  51   8.576   7.806   0.465
  336   2HB   SER  51          1HB       SER  51   8.199   6.133   0.867
  337    HG   SER  51           HG       SER  51  10.179   7.370   1.790
  338    H    HIS  52           H        HIS  52   9.419   3.843  -0.777
  339    HA   HIS  52           HA       HIS  52  12.090   3.679  -1.919
  340   1HB   HIS  52          2HB       HIS  52  12.958   4.425   0.119
  341   2HB   HIS  52          1HB       HIS  52  11.663   3.689   1.056
  342    HD1  HIS  52           1HD      HIS  52  11.848   1.141   1.568
  343    HD2  HIS  52           2HD      HIS  52  15.132   2.686  -0.483
  344    HE1  HIS  52           1HE      HIS  52  13.654  -0.627   1.676
  345    H    PHE  53           H        PHE  53  11.319   2.000  -3.193
  346    HA   PHE  53           HA       PHE  53   9.632  -0.126  -2.466
  347   1HB   PHE  53          2HB       PHE  53  11.550   0.428  -4.595
  348   2HB   PHE  53          1HB       PHE  53  11.515  -1.283  -4.176
  349    HD1  PHE  53           1HD      PHE  53   8.608   0.930  -3.688
  350    HD2  PHE  53           2HD      PHE  53  10.447  -1.990  -6.245
  351    HE1  PHE  53           1HE      PHE  53   6.474   0.673  -4.928
  352    HE2  PHE  53           2HE      PHE  53   8.314  -2.249  -7.484
  353    HZ   PHE  53           HZ       PHE  53   6.328  -0.919  -6.825
  354    H    GLY  54           H        GLY  54   9.896  -1.782  -1.017
  355   1HA   GLY  54          2HA       GLY  54  11.384  -3.680  -0.325
  356   2HA   GLY  54          1HA       GLY  54  12.700  -2.508  -0.260
  357    H    LYS  55           H        LYS  55  12.577  -3.728   2.013
  358    HA   LYS  55           HA       LYS  55  10.581  -2.796   3.888
  359   1HB   LYS  55          2HB       LYS  55  12.313  -4.826   3.981
  360   2HB   LYS  55          1HB       LYS  55  13.302  -3.626   4.815
  361   1HG   LYS  55          2HG       LYS  55  11.662  -3.312   6.520
  362   2HG   LYS  55          1HG       LYS  55  10.431  -4.173   5.594
  363   1HD   LYS  55          2HD       LYS  55  11.251  -5.667   7.317
  364   2HD   LYS  55          1HD       LYS  55  11.853  -6.243   5.760
  365   1HE   LYS  55          2HE       LYS  55  13.858  -4.549   6.440
  366   2HE   LYS  55          1HE       LYS  55  13.336  -5.065   8.045
  367   1HZ   LYS  55          1HZ       LYS  55  15.080  -6.453   6.778
  368   2HZ   LYS  55          2HZ       LYS  55  13.747  -7.056   5.914
  369   3HZ   LYS  55          3HZ       LYS  55  13.831  -7.254   7.599
  370    H    CYS  56           H        CYS  56  10.672  -1.032   5.284
  371    HA   CYS  56           HA       CYS  56  12.547   1.100   4.556
  372   1HB   CYS  56          2HB       CYS  56  10.644   1.218   6.890
  373   2HB   CYS  56          1HB       CYS  56  11.185   2.526   5.838
  Start of MODEL    3
    1   1H    ALA   3          1HT       ALA   3   2.235   9.428 -10.814
    2   2H    ALA   3          2HT       ALA   3   1.051  10.184  -9.858
    3   3H    ALA   3          3HT       ALA   3   1.403   8.536  -9.636
    4    HA   ALA   3           HA       ALA   3   3.227  10.811  -9.078
    5   1HB   ALA   3          1HB       ALA   3   1.204   9.469  -7.524
    6   2HB   ALA   3          2HB       ALA   3   2.249  10.809  -7.050
    7   3HB   ALA   3          3HB       ALA   3   2.791   9.145  -6.827
    8    H    VAL   4           H        VAL   4   2.764   7.287  -8.565
    9    HA   VAL   4           HA       VAL   4   5.629   6.922  -9.295
   10    HB   VAL   4           HB       VAL   4   5.867   5.307  -7.404
   11   1HG1  VAL   4          1HG1      VAL   4   5.896   7.067  -5.597
   12   2HG1  VAL   4          2HG1      VAL   4   5.101   8.160  -6.729
   13   3HG1  VAL   4          3HG1      VAL   4   6.716   7.548  -7.081
   14   1HG2  VAL   4          1HG2      VAL   4   3.225   5.156  -7.303
   15   2HG2  VAL   4          2HG2      VAL   4   3.403   6.503  -6.178
   16   3HG2  VAL   4          3HG2      VAL   4   4.182   4.958  -5.834
   17    H    SER   5           H        SER   5   3.186   6.411 -10.794
   18    HA   SER   5           HA       SER   5   2.433   4.701 -12.226
   19   1HB   SER   5          2HB       SER   5   5.008   3.957 -11.662
   20   2HB   SER   5          1HB       SER   5   4.110   2.577 -11.036
   21    HG   SER   5           HG       SER   5   4.527   3.400 -13.613
   22    H    VAL   6           H        VAL   6   0.477   4.889 -10.842
   23    HA   VAL   6           HA       VAL   6  -0.110   2.289  -9.567
   24    HB   VAL   6           HB       VAL   6   0.646   3.513  -7.645
   25   1HG1  VAL   6          1HG1      VAL   6   0.359   5.762  -7.322
   26   2HG1  VAL   6          2HG1      VAL   6  -1.271   5.756  -7.996
   27   3HG1  VAL   6          3HG1      VAL   6   0.127   5.755  -9.070
   28   1HG2  VAL   6          1HG2      VAL   6  -2.028   2.663  -7.959
   29   2HG2  VAL   6          2HG2      VAL   6  -2.113   4.195  -7.090
   30   3HG2  VAL   6          3HG2      VAL   6  -1.150   2.867  -6.443
   31    H    ASP   7           H        ASP   7  -1.785   1.794 -10.949
   32    HA   ASP   7           HA       ASP   7  -3.886   3.875 -11.374
   33   1HB   ASP   7          2HB       ASP   7  -3.272   1.323 -12.897
   34   2HB   ASP   7          1HB       ASP   7  -4.625   2.397 -13.251
   35    H    CYS   8           H        CYS   8  -4.780   3.442  -9.223
   36    HA   CYS   8           HA       CYS   8  -6.572   1.066  -9.264
   37   1HB   CYS   8          2HB       CYS   8  -5.006   1.847  -6.793
   38   2HB   CYS   8          1HB       CYS   8  -5.991   0.405  -7.038
   39    H    SER   9           H        SER   9  -7.403   3.632  -9.857
   40    HA   SER   9           HA       SER   9  -8.362   4.978  -7.443
   41   1HB   SER   9          2HB       SER   9  -9.608   5.616 -10.056
   42   2HB   SER   9          1HB       SER   9  -8.945   6.697  -8.832
   43    HG   SER   9           HG       SER   9  -7.764   5.579 -11.034
   44    H    GLU  10           H        GLU  10  -9.200   2.138  -8.263
   45    HA   GLU  10           HA       GLU  10 -11.947   2.365  -7.353
   46   1HB   GLU  10          2HB       GLU  10 -12.876   1.137  -9.341
   47   2HB   GLU  10          1HB       GLU  10 -12.336   2.772  -9.727
   48   1HG   GLU  10          2HG       GLU  10 -10.086   1.056 -10.019
   49   2HG   GLU  10          1HG       GLU  10 -11.437   0.289 -10.853
   50    H    TYR  11           H        TYR  11  -9.402   1.162  -6.550
   51    HA   TYR  11           HA       TYR  11 -10.168  -1.733  -6.664
   52   1HB   TYR  11          2HB       TYR  11  -7.861  -0.635  -7.632
   53   2HB   TYR  11          1HB       TYR  11  -7.375  -1.048  -5.989
   54    HD1  TYR  11           1HD      TYR  11  -7.609  -2.267  -9.259
   55    HD2  TYR  11           2HD      TYR  11  -8.270  -3.459  -5.186
   56    HE1  TYR  11           1HE      TYR  11  -7.395  -4.643  -9.922
   57    HE2  TYR  11           2HE      TYR  11  -8.058  -5.837  -5.849
   58    HH   TYR  11           HH       TYR  11  -7.761  -6.783  -9.241
   59    HA   PRO  12           HA       PRO  12 -10.135  -0.315  -2.230
   60   1HB   PRO  12          2HB       PRO  12 -12.746  -0.982  -1.695
   61   2HB   PRO  12          1HB       PRO  12 -12.251   0.616  -2.286
   62   1HG   PRO  12          2HG       PRO  12 -13.601  -1.600  -3.765
   63   2HG   PRO  12          1HG       PRO  12 -13.669   0.146  -4.053
   64   1HD   PRO  12          2HD       PRO  12 -12.121  -1.703  -5.526
   65   2HD   PRO  12          1HD       PRO  12 -11.936   0.062  -5.545
   66    H    LYS  13           H        LYS  13  -8.863  -2.106  -1.560
   67    HA   LYS  13           HA       LYS  13 -10.289  -4.427  -0.568
   68   1HB   LYS  13          2HB       LYS  13  -9.151  -4.519  -3.245
   69   2HB   LYS  13          1HB       LYS  13  -8.423  -5.733  -2.192
   70   1HG   LYS  13          2HG       LYS  13 -10.403  -6.870  -1.897
   71   2HG   LYS  13          1HG       LYS  13 -11.383  -5.411  -2.057
   72   1HD   LYS  13          2HD       LYS  13 -11.816  -6.030  -4.178
   73   2HD   LYS  13          1HD       LYS  13 -10.117  -5.723  -4.546
   74   1HE   LYS  13          2HE       LYS  13 -10.304  -8.256  -3.226
   75   2HE   LYS  13          1HE       LYS  13 -11.482  -8.228  -4.539
   76   1HZ   LYS  13          1HZ       LYS  13  -9.691  -7.438  -6.012
   77   2HZ   LYS  13          2HZ       LYS  13  -9.385  -8.983  -5.375
   78   3HZ   LYS  13          3HZ       LYS  13  -8.583  -7.626  -4.742
   79    H    CYS  14           H        CYS  14  -9.230  -3.997   1.389
   80    HA   CYS  14           HA       CYS  14  -6.259  -3.992   1.368
   81   1HB   CYS  14          2HB       CYS  14  -8.346  -3.193   3.389
   82   2HB   CYS  14          1HB       CYS  14  -6.686  -3.507   3.895
   83    H    ALA  15           H        ALA  15  -8.122  -6.371   0.992
   84    HA   ALA  15           HA       ALA  15  -7.067  -8.020   3.255
   85   1HB   ALA  15          1HB       ALA  15  -9.052  -9.562   2.245
   86   2HB   ALA  15          2HB       ALA  15  -9.699  -7.964   1.874
   87   3HB   ALA  15          3HB       ALA  15  -9.311  -8.393   3.540
   88    H    CYS  16           H        CYS  16  -5.176  -7.836   1.519
   89    HA   CYS  16           HA       CYS  16  -5.529 -10.036  -0.472
   90   1HB   CYS  16          2HB       CYS  16  -3.266  -8.056  -0.539
   91   2HB   CYS  16          1HB       CYS  16  -3.975  -8.978  -1.866
   92    H    THR  17           H        THR  17  -3.782 -11.556  -0.681
   93    HA   THR  17           HA       THR  17  -1.573 -11.515   1.229
   94    HB   THR  17           HB       THR  17  -3.537 -12.348   2.586
   95    HG1  THR  17           1HG      THR  17  -1.163 -13.095   2.625
   96   1HG2  THR  17          1HG2      THR  17  -4.915 -13.866   1.672
   97   2HG2  THR  17          2HG2      THR  17  -3.583 -15.020   1.599
   98   3HG2  THR  17          3HG2      THR  17  -3.895 -13.943   0.236
   99    H    MET  18           H        MET  18  -2.100 -11.759  -1.698
  100    HA   MET  18           HA       MET  18  -1.284 -14.527  -2.309
  101   1HB   MET  18          2HB       MET  18  -2.612 -12.428  -3.717
  102   2HB   MET  18          1HB       MET  18  -1.141 -12.826  -4.602
  103   1HG   MET  18          2HG       MET  18  -1.768 -15.112  -4.825
  104   2HG   MET  18          1HG       MET  18  -3.035 -14.962  -3.608
  105   1HE   MET  18          1HE       MET  18  -4.221 -16.264  -6.385
  106   2HE   MET  18          2HE       MET  18  -2.511 -15.896  -6.599
  107   3HE   MET  18          3HE       MET  18  -3.690 -15.274  -7.752
  108    H    GLU  19           H        GLU  19  -0.014 -11.557  -3.765
  109    HA   GLU  19           HA       GLU  19   2.690 -12.690  -3.719
  110   1HB   GLU  19          2HB       GLU  19   2.119 -11.444  -5.682
  111   2HB   GLU  19          1HB       GLU  19   1.542 -10.076  -4.728
  112   1HG   GLU  19          2HG       GLU  19   3.802  -9.620  -3.935
  113   2HG   GLU  19          1HG       GLU  19   4.413 -11.054  -4.765
  114    H    TYR  20           H        TYR  20   4.174 -12.320  -2.130
  115    HA   TYR  20           HA       TYR  20   3.524 -10.230  -0.107
  116   1HB   TYR  20          2HB       TYR  20   4.088 -12.765   0.422
  117   2HB   TYR  20          1HB       TYR  20   5.748 -12.192   0.258
  118    HD1  TYR  20           1HD      TYR  20   2.724 -12.116   2.300
  119    HD2  TYR  20           2HD      TYR  20   6.601 -10.359   1.716
  120    HE1  TYR  20           1HE      TYR  20   2.622 -11.132   4.574
  121    HE2  TYR  20           2HE      TYR  20   6.497  -9.374   3.990
  122    HH   TYR  20           HH       TYR  20   4.727 -10.329   6.325
  123    H    ARG  21           H        ARG  21   4.524  -8.356  -0.477
  124    HA   ARG  21           HA       ARG  21   7.412  -8.346  -1.108
  125   1HB   ARG  21          2HB       ARG  21   5.822  -8.121  -3.210
  126   2HB   ARG  21          1HB       ARG  21   5.642  -6.465  -2.630
  127   1HG   ARG  21          2HG       ARG  21   7.496  -6.662  -4.264
  128   2HG   ARG  21          1HG       ARG  21   8.075  -6.160  -2.677
  129   1HD   ARG  21          2HD       ARG  21   9.394  -8.026  -3.873
  130   2HD   ARG  21          1HD       ARG  21   8.951  -8.307  -2.191
  131    HE   ARG  21           HE       ARG  21   6.952  -9.605  -3.195
  132   1HH1  ARG  21          1HH1      ARG  21  10.099 -10.377  -3.560
  133   2HH1  ARG  21          2HH1      ARG  21   9.936 -11.285  -5.027
  134   1HH2  ARG  21          1HH2      ARG  21   6.679 -10.253  -5.620
  135   2HH2  ARG  21          2HH2      ARG  21   8.002 -11.213  -6.194
  136    HA   PRO  22           HA       PRO  22   6.744  -5.237   2.047
  137   1HB   PRO  22          2HB       PRO  22   9.406  -4.929   2.649
  138   2HB   PRO  22          1HB       PRO  22   8.409  -6.258   3.268
  139   1HG   PRO  22          2HG       PRO  22  10.489  -6.309   1.130
  140   2HG   PRO  22          1HG       PRO  22   9.948  -7.613   2.200
  141   1HD   PRO  22          2HD       PRO  22   9.193  -7.275  -0.505
  142   2HD   PRO  22          1HD       PRO  22   8.412  -8.356   0.670
  143    H    LEU  23           H        LEU  23   6.534  -3.066   1.679
  144    HA   LEU  23           HA       LEU  23   8.508  -1.730  -0.122
  145   1HB   LEU  23          2HB       LEU  23   5.600  -0.972  -0.176
  146   2HB   LEU  23          1HB       LEU  23   6.830  -0.700  -1.406
  147    HG   LEU  23           HG       LEU  23   5.592  -3.365  -0.637
  148   1HD1  LEU  23          1HD1      LEU  23   5.468  -2.653  -3.428
  149   2HD1  LEU  23          2HD1      LEU  23   4.800  -1.342  -2.454
  150   3HD1  LEU  23          3HD1      LEU  23   4.141  -2.971  -2.309
  151   1HD2  LEU  23          1HD2      LEU  23   7.417  -4.350  -1.518
  152   2HD2  LEU  23          2HD2      LEU  23   8.152  -2.768  -1.779
  153   3HD2  LEU  23          3HD2      LEU  23   7.141  -3.488  -3.032
  154    H    CYS  24           H        CYS  24   8.959   0.441   0.435
  155    HA   CYS  24           HA       CYS  24   8.114   1.206   3.166
  156   1HB   CYS  24          2HB       CYS  24  10.514   1.449   2.063
  157   2HB   CYS  24          1HB       CYS  24   9.832   2.939   1.411
  158    H    GLY  25           H        GLY  25   5.977   1.883   2.982
  159   1HA   GLY  25          2HA       GLY  25   5.160   3.565   0.731
  160   2HA   GLY  25          1HA       GLY  25   4.124   3.012   2.041
  161    H    SER  26           H        SER  26   4.423   5.687   0.855
  162    HA   SER  26           HA       SER  26   5.844   7.514   2.480
  163   1HB   SER  26          2HB       SER  26   3.526   7.631   0.652
  164   2HB   SER  26          1HB       SER  26   3.587   8.916   1.856
  165    HG   SER  26           HG       SER  26   4.963   9.757   0.499
  166    H    ASP  27           H        ASP  27   3.346   5.435   3.447
  167    HA   ASP  27           HA       ASP  27   2.084   7.195   5.379
  168   1HB   ASP  27          2HB       ASP  27   0.823   5.295   6.017
  169   2HB   ASP  27          1HB       ASP  27   1.134   5.026   4.303
  170    H    ASN  28           H        ASN  28   5.165   6.120   5.255
  171    HA   ASN  28           HA       ASN  28   6.832   6.165   6.916
  172   1HB   ASN  28          2HB       ASN  28   4.763   7.530   8.109
  173   2HB   ASN  28          1HB       ASN  28   4.992   6.175   9.216
  174   1HD2  ASN  28          1HD2      ASN  28   5.967   9.286   8.853
  175   2HD2  ASN  28          2HD2      ASN  28   7.533   9.190   9.502
  176    H    LYS  29           H        LYS  29   5.329   3.732   5.939
  177    HA   LYS  29           HA       LYS  29   6.332   1.941   8.075
  178   1HB   LYS  29          2HB       LYS  29   3.474   1.750   7.092
  179   2HB   LYS  29          1HB       LYS  29   4.257   0.649   8.220
  180   1HG   LYS  29          2HG       LYS  29   3.956   3.618   8.744
  181   2HG   LYS  29          1HG       LYS  29   2.803   2.410   9.310
  182   1HD   LYS  29          2HD       LYS  29   4.369   1.400  10.743
  183   2HD   LYS  29          1HD       LYS  29   5.744   2.116   9.900
  184   1HE   LYS  29          2HE       LYS  29   5.384   3.271  12.031
  185   2HE   LYS  29          1HE       LYS  29   5.027   4.363  10.693
  186   1HZ   LYS  29          1HZ       LYS  29   3.189   3.051  12.566
  187   2HZ   LYS  29          2HZ       LYS  29   2.643   3.396  10.993
  188   3HZ   LYS  29          3HZ       LYS  29   3.192   4.650  11.999
  189    H    THR  30           H        THR  30   5.863  -0.439   7.332
  190    HA   THR  30           HA       THR  30   6.882  -0.618   4.564
  191    HB   THR  30           HB       THR  30   6.601  -2.631   6.813
  192    HG1  THR  30           1HG      THR  30   8.662  -2.253   7.051
  193   1HG2  THR  30          1HG2      THR  30   6.198  -3.972   4.918
  194   2HG2  THR  30          2HG2      THR  30   7.943  -4.093   5.142
  195   3HG2  THR  30          3HG2      THR  30   7.284  -3.022   3.905
  196    H    TYR  31           H        TYR  31   5.822  -2.171   3.063
  197    HA   TYR  31           HA       TYR  31   2.871  -2.258   3.520
  198   1HB   TYR  31          2HB       TYR  31   4.546  -1.507   1.226
  199   2HB   TYR  31          1HB       TYR  31   3.238  -2.611   0.813
  200    HD1  TYR  31           1HD      TYR  31   4.084   0.763   1.159
  201    HD2  TYR  31           2HD      TYR  31   0.900  -1.985   2.032
  202    HE1  TYR  31           1HE      TYR  31   2.479   2.651   1.237
  203    HE2  TYR  31           2HE      TYR  31  -0.706  -0.094   2.112
  204    HH   TYR  31           HH       TYR  31   0.209   3.145   1.143
  205    H    GLY  32           H        GLY  32   1.744  -4.153   2.800
  206   1HA   GLY  32          2HA       GLY  32   3.348  -6.609   3.019
  207   2HA   GLY  32          1HA       GLY  32   1.586  -6.523   2.939
  208    H    ASN  33           H        ASN  33   1.770  -4.718   0.530
  209    HA   ASN  33           HA       ASN  33   3.168  -5.889  -1.604
  210   1HB   ASN  33          2HB       ASN  33   1.207  -7.212  -2.630
  211   2HB   ASN  33          1HB       ASN  33   2.104  -7.983  -1.323
  212   1HD2  ASN  33          1HD2      ASN  33   0.683  -8.997   0.088
  213   2HD2  ASN  33          2HD2      ASN  33  -0.829  -8.387   0.558
  214    H    LYS  34           H        LYS  34   2.127  -5.344  -3.754
  215    HA   LYS  34           HA       LYS  34   1.292  -2.631  -3.785
  216   1HB   LYS  34          2HB       LYS  34   2.158  -4.442  -5.668
  217   2HB   LYS  34          1HB       LYS  34   0.465  -4.226  -6.115
  218   1HG   LYS  34          2HG       LYS  34   0.852  -1.727  -5.989
  219   2HG   LYS  34          1HG       LYS  34   2.574  -2.075  -5.819
  220   1HD   LYS  34          2HD       LYS  34   1.869  -3.641  -7.975
  221   2HD   LYS  34          1HD       LYS  34   0.868  -2.207  -8.207
  222   1HE   LYS  34          2HE       LYS  34   3.769  -1.883  -7.500
  223   2HE   LYS  34          1HE       LYS  34   3.317  -2.251  -9.166
  224   1HZ   LYS  34          1HZ       LYS  34   1.580  -0.313  -8.559
  225   2HZ   LYS  34          2HZ       LYS  34   3.080  -0.041  -9.310
  226   3HZ   LYS  34          3HZ       LYS  34   2.916   0.172  -7.632
  227    H    CYS  35           H        CYS  35  -0.526  -5.508  -3.211
  228    HA   CYS  35           HA       CYS  35  -3.068  -4.437  -4.165
  229   1HB   CYS  35          2HB       CYS  35  -2.528  -6.898  -3.902
  230   2HB   CYS  35          1HB       CYS  35  -2.607  -6.657  -2.158
  231    H    ASN  36           H        ASN  36  -1.216  -4.449  -1.201
  232    HA   ASN  36           HA       ASN  36  -3.378  -3.278   0.401
  233   1HB   ASN  36          2HB       ASN  36  -1.022  -4.674   0.967
  234   2HB   ASN  36          1HB       ASN  36  -0.661  -3.020   1.453
  235   1HD2  ASN  36          1HD2      ASN  36  -3.601  -5.119   1.646
  236   2HD2  ASN  36          2HD2      ASN  36  -3.892  -4.801   3.288
  237    H    PHE  37           H        PHE  37  -0.902  -2.270  -1.742
  238    HA   PHE  37           HA       PHE  37  -0.611   0.427  -0.664
  239   1HB   PHE  37          2HB       PHE  37   1.211  -0.747  -1.910
  240   2HB   PHE  37          1HB       PHE  37   0.211  -0.698  -3.359
  241    HD1  PHE  37           1HD      PHE  37  -0.471   1.536  -4.322
  242    HD2  PHE  37           2HD      PHE  37   2.434   1.163  -1.182
  243    HE1  PHE  37           1HE      PHE  37   0.342   3.830  -4.804
  244    HE2  PHE  37           2HE      PHE  37   3.247   3.455  -1.660
  245    HZ   PHE  37           HZ       PHE  37   2.203   4.789  -3.472
  246    H    CYS  38           H        CYS  38  -2.270  -1.089  -3.424
  247    HA   CYS  38           HA       CYS  38  -3.381   1.411  -4.381
  248   1HB   CYS  38          2HB       CYS  38  -3.947  -1.502  -4.933
  249   2HB   CYS  38          1HB       CYS  38  -4.975  -0.235  -5.603
  250    H    CYS  39           H        CYS  39  -4.249  -0.904  -1.933
  251    HA   CYS  39           HA       CYS  39  -7.031   0.040  -1.776
  252   1HB   CYS  39          2HB       CYS  39  -6.567  -2.297  -1.215
  253   2HB   CYS  39          1HB       CYS  39  -5.435  -1.792   0.041
  254    H    ALA  40           H        ALA  40  -3.984   0.487  -0.052
  255    HA   ALA  40           HA       ALA  40  -5.150   2.112   2.056
  256   1HB   ALA  40          1HB       ALA  40  -2.814   0.829   1.898
  257   2HB   ALA  40          2HB       ALA  40  -2.995   2.276   2.889
  258   3HB   ALA  40          3HB       ALA  40  -2.273   2.391   1.285
  259    H    VAL  41           H        VAL  41  -4.190   2.644  -1.206
  260    HA   VAL  41           HA       VAL  41  -3.784   5.527  -0.916
  261    HB   VAL  41           HB       VAL  41  -3.961   3.634  -3.263
  262   1HG1  VAL  41          1HG1      VAL  41  -4.999   5.553  -4.176
  263   2HG1  VAL  41          2HG1      VAL  41  -3.298   5.760  -4.593
  264   3HG1  VAL  41          3HG1      VAL  41  -3.987   6.653  -3.238
  265   1HG2  VAL  41          1HG2      VAL  41  -1.716   5.533  -2.810
  266   2HG2  VAL  41          2HG2      VAL  41  -1.678   3.855  -3.348
  267   3HG2  VAL  41          3HG2      VAL  41  -1.888   4.227  -1.637
  268    H    VAL  42           H        VAL  42  -6.370   3.351  -1.963
  269    HA   VAL  42           HA       VAL  42  -8.141   5.596  -2.647
  270    HB   VAL  42           HB       VAL  42  -8.699   2.622  -2.428
  271   1HG1  VAL  42          1HG1      VAL  42 -10.330   4.989  -3.329
  272   2HG1  VAL  42          2HG1      VAL  42 -10.800   3.670  -2.257
  273   3HG1  VAL  42          3HG1      VAL  42 -10.638   3.384  -3.990
  274   1HG2  VAL  42          1HG2      VAL  42  -8.304   4.329  -4.902
  275   2HG2  VAL  42          2HG2      VAL  42  -8.446   2.572  -4.826
  276   3HG2  VAL  42          3HG2      VAL  42  -7.015   3.371  -4.173
  277    H    GLU  43           H        GLU  43  -7.212   4.006   0.190
  278    HA   GLU  43           HA       GLU  43  -9.813   4.467   1.539
  279   1HB   GLU  43          2HB       GLU  43  -7.304   2.973   2.195
  280   2HB   GLU  43          1HB       GLU  43  -8.294   3.562   3.531
  281   1HG   GLU  43          2HG       GLU  43  -9.529   2.043   1.235
  282   2HG   GLU  43          1HG       GLU  43  -8.808   1.196   2.603
  283    H    SER  44           H        SER  44  -6.643   5.871   1.208
  284    HA   SER  44           HA       SER  44  -7.110   7.672   3.519
  285   1HB   SER  44          2HB       SER  44  -4.788   8.527   2.841
  286   2HB   SER  44          1HB       SER  44  -4.868   6.872   3.439
  287    HG   SER  44           HG       SER  44  -4.070   7.782   1.042
  288    H    ASN  45           H        ASN  45  -8.183   7.602   0.458
  289    HA   ASN  45           HA       ASN  45  -9.120   9.294  -0.889
  290   1HB   ASN  45          2HB       ASN  45  -9.272  10.387   1.554
  291   2HB   ASN  45          1HB       ASN  45  -8.062  11.467   0.864
  292   1HD2  ASN  45          1HD2      ASN  45  -8.826  13.120  -0.491
  293   2HD2  ASN  45          2HD2      ASN  45 -10.407  13.206  -1.102
  294    H    GLY  46           H        GLY  46  -6.047   8.566  -0.547
  295   1HA   GLY  46          2HA       GLY  46  -4.473   8.979  -2.375
  296   2HA   GLY  46          1HA       GLY  46  -5.169  10.589  -2.552
  297    H    THR  47           H        THR  47  -4.867   9.847   0.709
  298    HA   THR  47           HA       THR  47  -2.607  11.704   0.965
  299    HB   THR  47           HB       THR  47  -3.787  10.308   3.327
  300    HG1  THR  47           1HG      THR  47  -5.177  12.472   2.271
  301   1HG2  THR  47          1HG2      THR  47  -2.143  12.002   3.733
  302   2HG2  THR  47          2HG2      THR  47  -3.709  12.700   4.152
  303   3HG2  THR  47          3HG2      THR  47  -2.937  13.120   2.623
  304    H    LEU  48           H        LEU  48  -2.481   8.709   0.031
  305    HA   LEU  48           HA       LEU  48  -0.155   8.057   1.783
  306   1HB   LEU  48          2HB       LEU  48  -2.466   6.654   1.962
  307   2HB   LEU  48          1HB       LEU  48  -1.673   5.767   0.659
  308    HG   LEU  48           HG       LEU  48   0.313   5.438   2.036
  309   1HD1  LEU  48          1HD1      LEU  48  -0.557   6.249   4.603
  310   2HD1  LEU  48          2HD1      LEU  48  -0.867   7.611   3.527
  311   3HD1  LEU  48          3HD1      LEU  48   0.758   6.940   3.654
  312   1HD2  LEU  48          1HD2      LEU  48  -1.984   4.094   2.330
  313   2HD2  LEU  48          2HD2      LEU  48  -1.877   4.765   3.957
  314   3HD2  LEU  48          3HD2      LEU  48  -0.578   3.746   3.337
  315    H    THR  49           H        THR  49   1.572   6.961   0.700
  316    HA   THR  49           HA       THR  49   1.286   6.479  -2.204
  317    HB   THR  49           HB       THR  49   2.669   8.148  -2.945
  318    HG1  THR  49           1HG      THR  49   4.504   8.653  -1.958
  319   1HG2  THR  49          1HG2      THR  49   2.293  10.228  -1.753
  320   2HG2  THR  49          2HG2      THR  49   1.922   9.355  -0.267
  321   3HG2  THR  49          3HG2      THR  49   0.829   9.253  -1.648
  322    H    LEU  50           H        LEU  50   4.106   6.449  -2.647
  323    HA   LEU  50           HA       LEU  50   4.912   4.041  -1.056
  324   1HB   LEU  50          2HB       LEU  50   4.423   3.777  -3.562
  325   2HB   LEU  50          1HB       LEU  50   5.839   4.785  -3.848
  326    HG   LEU  50           HG       LEU  50   7.308   3.188  -2.892
  327   1HD1  LEU  50          1HD1      LEU  50   6.016   1.006  -1.964
  328   2HD1  LEU  50          2HD1      LEU  50   4.810   2.235  -1.574
  329   3HD1  LEU  50          3HD1      LEU  50   6.445   2.364  -0.924
  330   1HD2  LEU  50          1HD2      LEU  50   7.007   1.318  -4.307
  331   2HD2  LEU  50          2HD2      LEU  50   6.136   2.610  -5.133
  332   3HD2  LEU  50          3HD2      LEU  50   5.249   1.408  -4.197
  333    H    SER  51           H        SER  51   7.510   3.863  -1.221
  334    HA   SER  51           HA       SER  51   8.738   6.554  -1.160
  335   1HB   SER  51          2HB       SER  51   7.883   5.905   1.173
  336   2HB   SER  51          1HB       SER  51   9.137   4.669   1.164
  337    HG   SER  51           HG       SER  51  10.550   6.169   1.537
  338    H    HIS  52           H        HIS  52   9.197   3.027  -1.024
  339    HA   HIS  52           HA       HIS  52  11.227   2.892  -2.903
  340   1HB   HIS  52          2HB       HIS  52  13.021   3.903  -1.971
  341   2HB   HIS  52          1HB       HIS  52  12.155   4.139  -0.458
  342    HD1  HIS  52           1HD      HIS  52  12.336   2.178   1.324
  343    HD2  HIS  52           2HD      HIS  52  14.885   1.798  -1.953
  344    HE1  HIS  52           1HE      HIS  52  14.040   0.410   1.943
  345    H    PHE  53           H        PHE  53  10.777   0.796  -3.365
  346    HA   PHE  53           HA       PHE  53   9.746  -1.191  -1.740
  347   1HB   PHE  53          2HB       PHE  53  11.898  -1.695  -3.814
  348   2HB   PHE  53          1HB       PHE  53  10.628  -2.799  -3.303
  349    HD1  PHE  53           1HD      PHE  53  11.529  -0.176  -5.584
  350    HD2  PHE  53           2HD      PHE  53   8.187  -2.107  -3.702
  351    HE1  PHE  53           1HE      PHE  53  10.017   0.742  -7.324
  352    HE2  PHE  53           2HE      PHE  53   6.675  -1.190  -5.440
  353    HZ   PHE  53           HZ       PHE  53   7.592   0.233  -7.252
  354    H    GLY  54           H        GLY  54  10.561  -2.550  -0.151
  355   1HA   GLY  54          2HA       GLY  54  12.606  -3.752   0.719
  356   2HA   GLY  54          1HA       GLY  54  13.458  -2.220   0.520
  357    H    LYS  55           H        LYS  55  12.318  -4.084   2.895
  358    HA   LYS  55           HA       LYS  55  10.586  -2.665   4.527
  359   1HB   LYS  55          2HB       LYS  55  11.605  -3.727   6.421
  360   2HB   LYS  55          1HB       LYS  55  11.775  -4.853   5.075
  361   1HG   LYS  55          2HG       LYS  55  13.978  -4.888   5.583
  362   2HG   LYS  55          1HG       LYS  55  14.046  -3.280   4.858
  363   1HD   LYS  55          2HD       LYS  55  14.734  -2.539   6.879
  364   2HD   LYS  55          1HD       LYS  55  13.077  -2.803   7.425
  365   1HE   LYS  55          2HE       LYS  55  13.773  -5.232   7.870
  366   2HE   LYS  55          1HE       LYS  55  15.436  -4.678   7.666
  367   1HZ   LYS  55          1HZ       LYS  55  14.052  -4.603   9.978
  368   2HZ   LYS  55          2HZ       LYS  55  13.853  -3.016   9.404
  369   3HZ   LYS  55          3HZ       LYS  55  15.413  -3.651   9.631
  370    H    CYS  56           H        CYS  56  10.679  -0.775   5.735
  371    HA   CYS  56           HA       CYS  56  12.818   1.097   5.086
  372   1HB   CYS  56          2HB       CYS  56  10.813   1.533   7.293
  373   2HB   CYS  56          1HB       CYS  56  11.541   2.720   6.212
  Start of MODEL    4
    1   1H    ALA   3          1HT       ALA   3  11.242   5.342  -8.741
    2   2H    ALA   3          2HT       ALA   3  10.378   6.702  -8.201
    3   3H    ALA   3          3HT       ALA   3  11.399   6.821  -9.555
    4    HA   ALA   3           HA       ALA   3   9.322   6.691 -10.524
    5   1HB   ALA   3          1HB       ALA   3  10.780   4.090 -10.363
    6   2HB   ALA   3          2HB       ALA   3  10.433   5.097 -11.767
    7   3HB   ALA   3          3HB       ALA   3   9.170   4.076 -11.082
    8    H    VAL   4           H        VAL   4   7.395   7.040  -9.509
    9    HA   VAL   4           HA       VAL   4   6.371   4.862  -7.729
   10    HB   VAL   4           HB       VAL   4   5.462   7.734  -7.579
   11   1HG1  VAL   4          1HG1      VAL   4   5.605   5.525  -5.506
   12   2HG1  VAL   4          2HG1      VAL   4   4.169   5.896  -6.462
   13   3HG1  VAL   4          3HG1      VAL   4   4.808   7.089  -5.330
   14   1HG2  VAL   4          1HG2      VAL   4   7.834   6.449  -6.188
   15   2HG2  VAL   4          2HG2      VAL   4   7.120   7.990  -5.710
   16   3HG2  VAL   4          3HG2      VAL   4   7.877   7.822  -7.294
   17    H    SER   5           H        SER   5   4.586   3.863  -8.512
   18    HA   SER   5           HA       SER   5   2.682   5.413 -10.181
   19   1HB   SER   5          2HB       SER   5   3.957   4.424 -11.914
   20   2HB   SER   5          1HB       SER   5   4.160   2.919 -11.022
   21    HG   SER   5           HG       SER   5   2.463   2.298 -12.091
   22    H    VAL   6           H        VAL   6   0.775   5.132  -9.142
   23    HA   VAL   6           HA       VAL   6   0.037   2.379  -8.284
   24    HB   VAL   6           HB       VAL   6   0.871   3.478  -6.268
   25   1HG1  VAL   6          1HG1      VAL   6   0.727   5.728  -6.192
   26   2HG1  VAL   6          2HG1      VAL   6  -0.976   5.527  -5.780
   27   3HG1  VAL   6          3HG1      VAL   6  -0.496   5.752  -7.462
   28   1HG2  VAL   6          1HG2      VAL   6  -1.579   3.736  -5.149
   29   2HG2  VAL   6          2HG2      VAL   6  -0.861   2.169  -5.521
   30   3HG2  VAL   6          3HG2      VAL   6  -2.023   2.894  -6.633
   31    H    ASP   7           H        ASP   7  -1.343   2.477 -10.194
   32    HA   ASP   7           HA       ASP   7  -3.540   4.471 -10.105
   33   1HB   ASP   7          2HB       ASP   7  -4.184   3.367 -12.303
   34   2HB   ASP   7          1HB       ASP   7  -2.605   4.154 -12.302
   35    H    CYS   8           H        CYS   8  -4.654   3.618  -8.243
   36    HA   CYS   8           HA       CYS   8  -6.141   1.099  -8.849
   37   1HB   CYS   8          2HB       CYS   8  -4.862   1.892  -6.218
   38   2HB   CYS   8          1HB       CYS   8  -6.026   0.578  -6.386
   39    H    SER   9           H        SER   9  -7.361   3.411  -9.487
   40    HA   SER   9           HA       SER   9  -8.825   4.520  -7.208
   41   1HB   SER   9          2HB       SER   9 -10.021   5.837  -8.916
   42   2HB   SER   9          1HB       SER   9  -8.280   5.925  -9.160
   43    HG   SER   9           HG       SER   9  -9.200   5.470 -11.125
   44    H    GLU  10           H        GLU  10  -9.056   1.583  -7.991
   45    HA   GLU  10           HA       GLU  10 -11.906   1.359  -7.513
   46   1HB   GLU  10          2HB       GLU  10 -10.828   1.101 -10.239
   47   2HB   GLU  10          1HB       GLU  10 -11.746  -0.311  -9.712
   48   1HG   GLU  10          2HG       GLU  10 -12.716   2.559  -9.613
   49   2HG   GLU  10          1HG       GLU  10 -13.227   1.343 -10.784
   50    H    TYR  11           H        TYR  11  -9.216   0.547  -6.435
   51    HA   TYR  11           HA       TYR  11  -9.707  -2.411  -6.410
   52   1HB   TYR  11          2HB       TYR  11  -7.332  -0.941  -7.090
   53   2HB   TYR  11          1HB       TYR  11  -7.028  -1.890  -5.634
   54    HD1  TYR  11           1HD      TYR  11  -6.747  -4.236  -5.743
   55    HD2  TYR  11           2HD      TYR  11  -8.352  -2.116  -9.117
   56    HE1  TYR  11           1HE      TYR  11  -6.581  -6.295  -7.115
   57    HE2  TYR  11           2HE      TYR  11  -8.186  -4.176 -10.490
   58    HH   TYR  11           HH       TYR  11  -7.146  -7.256  -9.059
   59    HA   PRO  12           HA       PRO  12  -9.931  -0.697  -2.082
   60   1HB   PRO  12          2HB       PRO  12 -12.515  -1.494  -1.599
   61   2HB   PRO  12          1HB       PRO  12 -12.095   0.093  -2.271
   62   1HG   PRO  12          2HG       PRO  12 -13.236  -2.295  -3.658
   63   2HG   PRO  12          1HG       PRO  12 -13.419  -0.578  -4.049
   64   1HD   PRO  12          2HD       PRO  12 -11.698  -2.376  -5.371
   65   2HD   PRO  12          1HD       PRO  12 -11.615  -0.603  -5.460
   66    H    LYS  13           H        LYS  13  -8.642  -2.316  -1.146
   67    HA   LYS  13           HA       LYS  13  -9.964  -4.700  -0.149
   68   1HB   LYS  13          2HB       LYS  13  -8.797  -4.892  -2.714
   69   2HB   LYS  13          1HB       LYS  13  -7.674  -5.689  -1.612
   70   1HG   LYS  13          2HG       LYS  13 -10.025  -6.668  -0.676
   71   2HG   LYS  13          1HG       LYS  13 -10.435  -6.455  -2.379
   72   1HD   LYS  13          2HD       LYS  13  -8.843  -7.984  -3.099
   73   2HD   LYS  13          1HD       LYS  13  -7.823  -7.746  -1.679
   74   1HE   LYS  13          2HE       LYS  13  -8.726  -9.671  -0.905
   75   2HE   LYS  13          1HE       LYS  13 -10.176  -8.717  -0.591
   76   1HZ   LYS  13          1HZ       LYS  13 -10.343 -10.827  -2.037
   77   2HZ   LYS  13          2HZ       LYS  13  -9.702  -9.847  -3.269
   78   3HZ   LYS  13          3HZ       LYS  13 -11.171  -9.430  -2.524
   79    H    CYS  14           H        CYS  14  -9.190  -4.037   1.870
   80    HA   CYS  14           HA       CYS  14  -6.298  -3.543   2.201
   81   1HB   CYS  14          2HB       CYS  14  -8.650  -3.397   4.103
   82   2HB   CYS  14          1HB       CYS  14  -6.981  -3.097   4.595
   83    H    ALA  15           H        ALA  15  -7.192  -6.238   1.465
   84    HA   ALA  15           HA       ALA  15  -5.901  -7.680   3.704
   85   1HB   ALA  15          1HB       ALA  15  -7.758  -9.493   3.371
   86   2HB   ALA  15          2HB       ALA  15  -8.710  -8.153   2.732
   87   3HB   ALA  15          3HB       ALA  15  -8.107  -8.095   4.388
   88    H    CYS  16           H        CYS  16  -4.298  -7.542   1.805
   89    HA   CYS  16           HA       CYS  16  -4.851  -9.768  -0.120
   90   1HB   CYS  16          2HB       CYS  16  -2.886  -7.517  -0.563
   91   2HB   CYS  16          1HB       CYS  16  -3.512  -8.660  -1.749
   92    H    THR  17           H        THR  17  -3.121 -11.210  -0.557
   93    HA   THR  17           HA       THR  17  -0.560 -10.942   0.823
   94    HB   THR  17           HB       THR  17  -2.134 -13.374   1.614
   95    HG1  THR  17           1HG      THR  17  -2.870 -12.243   3.421
   96   1HG2  THR  17          1HG2      THR  17  -0.458 -12.153   3.620
   97   2HG2  THR  17          2HG2      THR  17   0.441 -12.325   2.113
   98   3HG2  THR  17          3HG2      THR  17  -0.301 -13.738   2.864
   99    H    MET  18           H        MET  18  -1.714 -11.414  -1.897
  100    HA   MET  18           HA       MET  18  -1.002 -14.178  -2.553
  101   1HB   MET  18          2HB       MET  18  -1.370 -12.030  -4.616
  102   2HB   MET  18          1HB       MET  18  -1.830 -13.731  -4.685
  103   1HG   MET  18          2HG       MET  18  -3.371 -12.998  -2.622
  104   2HG   MET  18          1HG       MET  18  -3.254 -11.432  -3.425
  105   1HE   MET  18          1HE       MET  18  -4.866 -14.420  -2.882
  106   2HE   MET  18          2HE       MET  18  -4.248 -15.364  -4.235
  107   3HE   MET  18          3HE       MET  18  -5.921 -14.813  -4.246
  108    H    GLU  19           H        GLU  19   0.173 -11.153  -4.035
  109    HA   GLU  19           HA       GLU  19   2.743 -12.446  -4.599
  110   1HB   GLU  19          2HB       GLU  19   3.274 -10.479  -5.854
  111   2HB   GLU  19          1HB       GLU  19   1.571 -10.810  -6.159
  112   1HG   GLU  19          2HG       GLU  19   1.864  -9.140  -3.805
  113   2HG   GLU  19          1HG       GLU  19   2.678  -8.409  -5.188
  114    H    TYR  20           H        TYR  20   4.786 -11.677  -3.799
  115    HA   TYR  20           HA       TYR  20   4.570 -10.457  -1.093
  116   1HB   TYR  20          2HB       TYR  20   5.910 -12.668  -1.785
  117   2HB   TYR  20          1HB       TYR  20   7.154 -11.478  -2.166
  118    HD1  TYR  20           1HD      TYR  20   8.579 -10.755  -0.472
  119    HD2  TYR  20           2HD      TYR  20   4.705 -12.303   0.554
  120    HE1  TYR  20           1HE      TYR  20   9.132 -10.543   1.936
  121    HE2  TYR  20           2HE      TYR  20   5.257 -12.092   2.962
  122    HH   TYR  20           HH       TYR  20   6.717 -11.105   4.431
  123    H    ARG  21           H        ARG  21   4.794  -8.289  -1.140
  124    HA   ARG  21           HA       ARG  21   7.116  -7.105  -2.509
  125   1HB   ARG  21          2HB       ARG  21   5.099  -7.132  -4.108
  126   2HB   ARG  21          1HB       ARG  21   4.372  -5.953  -3.018
  127   1HG   ARG  21          2HG       ARG  21   5.565  -4.833  -4.867
  128   2HG   ARG  21          1HG       ARG  21   6.310  -4.467  -3.310
  129   1HD   ARG  21          2HD       ARG  21   7.876  -5.136  -5.263
  130   2HD   ARG  21          1HD       ARG  21   8.128  -5.921  -3.704
  131    HE   ARG  21           HE       ARG  21   6.718  -7.830  -4.676
  132   1HH1  ARG  21          1HH1      ARG  21   6.887  -5.706  -7.156
  133   2HH1  ARG  21          2HH1      ARG  21   7.756  -6.723  -8.257
  134   1HH2  ARG  21          1HH2      ARG  21   8.535  -9.104  -5.861
  135   2HH2  ARG  21          2HH2      ARG  21   8.686  -8.646  -7.524
  136    HA   PRO  22           HA       PRO  22   6.352  -5.110   1.503
  137   1HB   PRO  22          2HB       PRO  22   9.030  -4.745   2.029
  138   2HB   PRO  22          1HB       PRO  22   8.149  -6.233   2.416
  139   1HG   PRO  22          2HG       PRO  22  10.090  -5.721   0.206
  140   2HG   PRO  22          1HG       PRO  22   9.699  -7.242   1.027
  141   1HD   PRO  22          2HD       PRO  22   8.757  -6.460  -1.516
  142   2HD   PRO  22          1HD       PRO  22   8.094  -7.777  -0.523
  143    H    LEU  23           H        LEU  23   5.574  -3.092   0.854
  144    HA   LEU  23           HA       LEU  23   7.469  -1.267  -0.549
  145   1HB   LEU  23          2HB       LEU  23   4.456  -1.270  -0.266
  146   2HB   LEU  23          1HB       LEU  23   5.350   0.096  -0.934
  147    HG   LEU  23           HG       LEU  23   5.670  -2.715  -1.998
  148   1HD1  LEU  23          1HD1      LEU  23   4.205  -1.402  -3.891
  149   2HD1  LEU  23          2HD1      LEU  23   3.505  -0.742  -2.413
  150   3HD1  LEU  23          3HD1      LEU  23   3.508  -2.484  -2.686
  151   1HD2  LEU  23          1HD2      LEU  23   6.007  -0.373  -3.745
  152   2HD2  LEU  23          2HD2      LEU  23   7.071  -1.762  -3.511
  153   3HD2  LEU  23          3HD2      LEU  23   7.132  -0.404  -2.387
  154    H    CYS  24           H        CYS  24   8.178   0.575   0.447
  155    HA   CYS  24           HA       CYS  24   7.304   1.018   3.254
  156   1HB   CYS  24          2HB       CYS  24   9.718   0.859   2.918
  157   2HB   CYS  24          1HB       CYS  24   9.656   2.103   1.669
  158    H    GLY  25           H        GLY  25   5.227   1.924   2.466
  159   1HA   GLY  25          2HA       GLY  25   4.796   4.031   0.734
  160   2HA   GLY  25          1HA       GLY  25   3.894   3.855   2.238
  161    H    SER  26           H        SER  26   4.868   6.319   0.878
  162    HA   SER  26           HA       SER  26   7.095   7.519   2.068
  163   1HB   SER  26          2HB       SER  26   5.225   8.415   0.375
  164   2HB   SER  26          1HB       SER  26   4.620   9.167   1.849
  165    HG   SER  26           HG       SER  26   6.073  10.603   1.174
  166    H    ASP  27           H        ASP  27   4.146   6.553   3.571
  167    HA   ASP  27           HA       ASP  27   4.519   8.315   5.901
  168   1HB   ASP  27          2HB       ASP  27   2.480   7.297   6.747
  169   2HB   ASP  27          1HB       ASP  27   2.244   7.711   5.052
  170    H    ASN  28           H        ASN  28   6.530   6.236   5.113
  171    HA   ASN  28           HA       ASN  28   7.883   4.630   6.149
  172   1HB   ASN  28          2HB       ASN  28   7.656   6.625   7.879
  173   2HB   ASN  28          1HB       ASN  28   6.753   5.425   8.806
  174   1HD2  ASN  28          1HD2      ASN  28   8.465   5.215  10.418
  175   2HD2  ASN  28          2HD2      ASN  28   9.931   4.440  10.054
  176    H    LYS  29           H        LYS  29   5.298   3.703   5.282
  177    HA   LYS  29           HA       LYS  29   4.638   1.769   7.469
  178   1HB   LYS  29          2HB       LYS  29   3.009   3.187   5.471
  179   2HB   LYS  29          1HB       LYS  29   2.630   1.473   5.627
  180   1HG   LYS  29          2HG       LYS  29   3.022   2.958   8.169
  181   2HG   LYS  29          1HG       LYS  29   1.571   3.361   7.250
  182   1HD   LYS  29          2HD       LYS  29   1.037   0.916   7.122
  183   2HD   LYS  29          1HD       LYS  29   2.413   0.602   8.180
  184   1HE   LYS  29          2HE       LYS  29   0.990   0.905   9.910
  185   2HE   LYS  29          1HE       LYS  29   1.016   2.620   9.497
  186   1HZ   LYS  29          1HZ       LYS  29  -1.232   1.459   9.606
  187   2HZ   LYS  29          2HZ       LYS  29  -0.803   0.737   8.129
  188   3HZ   LYS  29          3HZ       LYS  29  -0.919   2.429   8.251
  189    H    THR  30           H        THR  30   4.696  -0.431   7.049
  190    HA   THR  30           HA       THR  30   5.981  -1.212   4.471
  191    HB   THR  30           HB       THR  30   5.766  -2.795   7.052
  192    HG1  THR  30           1HG      THR  30   7.438  -0.788   6.257
  193   1HG2  THR  30          1HG2      THR  30   7.522  -4.181   6.019
  194   2HG2  THR  30          2HG2      THR  30   7.468  -3.174   4.571
  195   3HG2  THR  30          3HG2      THR  30   6.070  -4.152   5.017
  196    H    TYR  31           H        TYR  31   4.441  -1.855   3.020
  197    HA   TYR  31           HA       TYR  31   2.000  -3.196   4.017
  198   1HB   TYR  31          2HB       TYR  31   2.801  -2.037   1.341
  199   2HB   TYR  31          1HB       TYR  31   1.310  -2.940   1.587
  200    HD1  TYR  31           1HD      TYR  31   2.324   0.242   1.202
  201    HD2  TYR  31           2HD      TYR  31   0.316  -2.150   4.149
  202    HE1  TYR  31           1HE      TYR  31   1.248   2.279   2.120
  203    HE2  TYR  31           2HE      TYR  31  -0.764  -0.115   5.066
  204    HH   TYR  31           HH       TYR  31   0.237   3.040   4.201
  205    H    GLY  32           H        GLY  32   1.361  -5.259   3.212
  206   1HA   GLY  32          2HA       GLY  32   3.514  -7.125   2.804
  207   2HA   GLY  32          1HA       GLY  32   1.796  -7.498   2.655
  208    H    ASN  33           H        ASN  33   1.477  -5.275   0.634
  209    HA   ASN  33           HA       ASN  33   3.172  -5.868  -1.609
  210   1HB   ASN  33          2HB       ASN  33   1.394  -7.041  -2.975
  211   2HB   ASN  33          1HB       ASN  33   2.075  -8.010  -1.668
  212   1HD2  ASN  33          1HD2      ASN  33   0.095  -9.297  -1.473
  213   2HD2  ASN  33          2HD2      ASN  33  -1.316  -8.641  -0.796
  214    H    LYS  34           H        LYS  34   2.194  -4.906  -3.654
  215    HA   LYS  34           HA       LYS  34   1.298  -2.262  -3.167
  216   1HB   LYS  34          2HB       LYS  34   2.430  -3.164  -5.271
  217   2HB   LYS  34          1HB       LYS  34   0.847  -3.783  -5.743
  218   1HG   LYS  34          2HG       LYS  34   0.434  -1.747  -6.624
  219   2HG   LYS  34          1HG       LYS  34   0.351  -1.145  -4.969
  220   1HD   LYS  34          2HD       LYS  34   3.071  -1.266  -5.410
  221   2HD   LYS  34          1HD       LYS  34   2.453  -0.773  -6.988
  222   1HE   LYS  34          2HE       LYS  34   1.048   0.960  -5.714
  223   2HE   LYS  34          1HE       LYS  34   2.077   0.605  -4.327
  224   1HZ   LYS  34          1HZ       LYS  34   2.871   1.711  -6.954
  225   2HZ   LYS  34          2HZ       LYS  34   4.001   1.047  -5.873
  226   3HZ   LYS  34          3HZ       LYS  34   3.080   2.400  -5.418
  227    H    CYS  35           H        CYS  35  -0.466  -5.204  -3.147
  228    HA   CYS  35           HA       CYS  35  -3.011  -4.137  -4.010
  229   1HB   CYS  35          2HB       CYS  35  -2.474  -6.585  -3.901
  230   2HB   CYS  35          1HB       CYS  35  -2.480  -6.465  -2.142
  231    H    ASN  36           H        ASN  36  -1.308  -4.391  -0.934
  232    HA   ASN  36           HA       ASN  36  -3.539  -3.310   0.611
  233   1HB   ASN  36          2HB       ASN  36  -1.220  -4.695   1.240
  234   2HB   ASN  36          1HB       ASN  36  -0.853  -3.054   1.770
  235   1HD2  ASN  36          1HD2      ASN  36  -3.475  -5.514   2.008
  236   2HD2  ASN  36          2HD2      ASN  36  -3.968  -5.056   3.566
  237    H    PHE  37           H        PHE  37  -0.776  -2.145  -1.151
  238    HA   PHE  37           HA       PHE  37  -0.722   0.518  -0.018
  239   1HB   PHE  37          2HB       PHE  37   1.165  -0.580  -1.312
  240   2HB   PHE  37          1HB       PHE  37   0.208  -0.346  -2.775
  241    HD1  PHE  37           1HD      PHE  37  -0.540   2.028  -3.367
  242    HD2  PHE  37           2HD      PHE  37   2.455   1.191  -0.404
  243    HE1  PHE  37           1HE      PHE  37   0.267   4.369  -3.520
  244    HE2  PHE  37           2HE      PHE  37   3.261   3.532  -0.556
  245    HZ   PHE  37           HZ       PHE  37   2.168   5.120  -2.114
  246    H    CYS  38           H        CYS  38  -2.494  -1.088  -2.574
  247    HA   CYS  38           HA       CYS  38  -3.605   1.399  -3.648
  248   1HB   CYS  38          2HB       CYS  38  -4.199  -1.535  -4.111
  249   2HB   CYS  38          1HB       CYS  38  -5.138  -0.249  -4.872
  250    H    CYS  39           H        CYS  39  -4.308  -0.823  -1.097
  251    HA   CYS  39           HA       CYS  39  -7.134  -0.168  -0.883
  252   1HB   CYS  39          2HB       CYS  39  -7.091  -1.985   0.455
  253   2HB   CYS  39          1HB       CYS  39  -5.346  -2.062   0.276
  254    H    ALA  40           H        ALA  40  -4.200   0.756   0.895
  255    HA   ALA  40           HA       ALA  40  -5.494   2.660   2.605
  256   1HB   ALA  40          1HB       ALA  40  -3.189   1.751   2.984
  257   2HB   ALA  40          2HB       ALA  40  -3.248   3.513   3.044
  258   3HB   ALA  40          3HB       ALA  40  -2.628   2.698   1.607
  259    H    VAL  41           H        VAL  41  -4.392   2.739  -0.688
  260    HA   VAL  41           HA       VAL  41  -4.442   5.643  -0.941
  261    HB   VAL  41           HB       VAL  41  -4.407   3.391  -2.966
  262   1HG1  VAL  41          1HG1      VAL  41  -3.591   5.873  -4.101
  263   2HG1  VAL  41          2HG1      VAL  41  -5.150   6.141  -3.322
  264   3HG1  VAL  41          3HG1      VAL  41  -4.984   4.885  -4.548
  265   1HG2  VAL  41          1HG2      VAL  41  -2.106   3.822  -3.143
  266   2HG2  VAL  41          2HG2      VAL  41  -2.393   4.045  -1.416
  267   3HG2  VAL  41          3HG2      VAL  41  -2.263   5.448  -2.477
  268    H    VAL  42           H        VAL  42  -6.726   3.007  -1.395
  269    HA   VAL  42           HA       VAL  42  -8.713   4.638  -2.757
  270    HB   VAL  42           HB       VAL  42  -8.916   1.965  -1.337
  271   1HG1  VAL  42          1HG1      VAL  42 -10.943   3.658  -2.781
  272   2HG1  VAL  42          2HG1      VAL  42 -11.126   2.745  -1.282
  273   3HG1  VAL  42          3HG1      VAL  42 -11.069   1.900  -2.828
  274   1HG2  VAL  42          1HG2      VAL  42  -9.355   2.112  -4.227
  275   2HG2  VAL  42          2HG2      VAL  42  -8.291   1.046  -3.309
  276   3HG2  VAL  42          3HG2      VAL  42  -7.746   2.662  -3.761
  277    H    GLU  43           H        GLU  43  -7.706   4.297   0.501
  278    HA   GLU  43           HA       GLU  43 -10.303   5.350   1.514
  279   1HB   GLU  43          2HB       GLU  43  -8.400   5.054   3.627
  280   2HB   GLU  43          1HB       GLU  43  -9.866   4.119   3.345
  281   1HG   GLU  43          2HG       GLU  43  -8.594   2.651   1.784
  282   2HG   GLU  43          1HG       GLU  43  -7.127   3.551   2.172
  283    H    SER  44           H        SER  44  -7.063   6.301   0.773
  284    HA   SER  44           HA       SER  44  -7.335   8.810   2.342
  285   1HB   SER  44          2HB       SER  44  -4.967   8.208   0.605
  286   2HB   SER  44          1HB       SER  44  -5.032   9.063   2.143
  287    HG   SER  44           HG       SER  44  -4.785   7.228   3.138
  288    H    ASN  45           H        ASN  45  -8.113   7.656  -0.706
  289    HA   ASN  45           HA       ASN  45  -8.896   8.797  -2.608
  290   1HB   ASN  45          2HB       ASN  45  -9.655  10.467  -0.776
  291   2HB   ASN  45          1HB       ASN  45  -8.228  11.399  -1.230
  292   1HD2  ASN  45          1HD2      ASN  45 -11.502  10.905  -1.999
  293   2HD2  ASN  45          2HD2      ASN  45 -11.503  11.626  -3.535
  294    H    GLY  46           H        GLY  46  -5.923   8.331  -1.811
  295   1HA   GLY  46          2HA       GLY  46  -4.087   8.412  -3.382
  296   2HA   GLY  46          1HA       GLY  46  -4.841   9.813  -4.147
  297    H    THR  47           H        THR  47  -4.728   9.772  -0.692
  298    HA   THR  47           HA       THR  47  -2.899  12.079  -0.746
  299    HB   THR  47           HB       THR  47  -4.587  10.772   1.396
  300    HG1  THR  47           1HG      THR  47  -5.804  12.147   0.299
  301   1HG2  THR  47          1HG2      THR  47  -2.662  11.425   2.609
  302   2HG2  THR  47          2HG2      THR  47  -3.784  12.772   2.795
  303   3HG2  THR  47          3HG2      THR  47  -2.452  12.887   1.645
  304    H    LEU  48           H        LEU  48  -2.425   8.842  -0.794
  305    HA   LEU  48           HA       LEU  48  -0.150   8.927   1.134
  306   1HB   LEU  48          2HB       LEU  48  -2.095   7.034   0.912
  307   2HB   LEU  48          1HB       LEU  48  -0.864   6.356  -0.154
  308    HG   LEU  48           HG       LEU  48   0.813   6.737   1.711
  309   1HD1  LEU  48          1HD1      LEU  48  -0.257   6.899   4.008
  310   2HD1  LEU  48          2HD1      LEU  48  -1.761   7.332   3.193
  311   3HD1  LEU  48          3HD1      LEU  48  -0.343   8.371   3.042
  312   1HD2  LEU  48          1HD2      LEU  48  -0.291   4.833   3.157
  313   2HD2  LEU  48          2HD2      LEU  48   0.181   4.497   1.491
  314   3HD2  LEU  48          3HD2      LEU  48  -1.507   4.832   1.879
  315    H    THR  49           H        THR  49   1.839   7.711   0.366
  316    HA   THR  49           HA       THR  49   2.211   7.640  -2.564
  317    HB   THR  49           HB       THR  49   4.335   9.062  -2.235
  318    HG1  THR  49           1HG      THR  49   3.681  10.639  -0.429
  319   1HG2  THR  49          1HG2      THR  49   2.515   9.949  -3.505
  320   2HG2  THR  49          2HG2      THR  49   2.973  11.197  -2.348
  321   3HG2  THR  49          3HG2      THR  49   1.547  10.204  -2.055
  322    H    LEU  50           H        LEU  50   5.031   7.437  -2.491
  323    HA   LEU  50           HA       LEU  50   5.471   5.050  -0.749
  324   1HB   LEU  50          2HB       LEU  50   5.109   4.545  -3.220
  325   2HB   LEU  50          1HB       LEU  50   6.600   5.429  -3.535
  326    HG   LEU  50           HG       LEU  50   7.794   3.891  -1.972
  327   1HD1  LEU  50          1HD1      LEU  50   5.937   1.731  -1.960
  328   2HD1  LEU  50          2HD1      LEU  50   5.092   3.152  -1.346
  329   3HD1  LEU  50          3HD1      LEU  50   6.582   2.610  -0.572
  330   1HD2  LEU  50          1HD2      LEU  50   6.802   3.362  -4.589
  331   2HD2  LEU  50          2HD2      LEU  50   6.740   1.846  -3.690
  332   3HD2  LEU  50          3HD2      LEU  50   8.264   2.721  -3.838
  333    H    SER  51           H        SER  51   7.862   4.696  -0.301
  334    HA   SER  51           HA       SER  51   9.491   7.157  -0.675
  335   1HB   SER  51          2HB       SER  51   8.367   6.198   1.854
  336   2HB   SER  51          1HB       SER  51  10.112   6.430   1.915
  337    HG   SER  51           HG       SER  51   8.355   8.348   0.798
  338    H    HIS  52           H        HIS  52   9.363   3.707   0.100
  339    HA   HIS  52           HA       HIS  52  12.107   3.458  -0.937
  340   1HB   HIS  52          2HB       HIS  52  12.783   3.762   1.282
  341   2HB   HIS  52          1HB       HIS  52  11.343   2.981   1.931
  342    HD1  HIS  52           1HD      HIS  52  11.743   0.689   2.782
  343    HD2  HIS  52           2HD      HIS  52  14.442   1.670  -0.239
  344    HE1  HIS  52           1HE      HIS  52  13.273  -1.306   2.517
  345    H    PHE  53           H        PHE  53  11.115   2.206  -2.590
  346    HA   PHE  53           HA       PHE  53   9.290   0.120  -2.392
  347   1HB   PHE  53          2HB       PHE  53  11.269   0.963  -4.279
  348   2HB   PHE  53          1HB       PHE  53  11.404  -0.785  -4.098
  349    HD1  PHE  53           1HD      PHE  53   9.288   1.985  -5.228
  350    HD2  PHE  53           2HD      PHE  53   9.474  -2.255  -4.565
  351    HE1  PHE  53           1HE      PHE  53   7.248   1.679  -6.606
  352    HE2  PHE  53           2HE      PHE  53   7.434  -2.560  -5.943
  353    HZ   PHE  53           HZ       PHE  53   6.322  -0.593  -6.963
  354    H    GLY  54           H        GLY  54   9.480  -1.099  -0.469
  355   1HA   GLY  54          2HA       GLY  54  10.685  -3.489  -0.283
  356   2HA   GLY  54          1HA       GLY  54  12.053  -2.444   0.104
  357    H    LYS  55           H        LYS  55  11.253  -4.192   2.046
  358    HA   LYS  55           HA       LYS  55   9.233  -3.228   3.826
  359   1HB   LYS  55          2HB       LYS  55  10.348  -4.635   5.524
  360   2HB   LYS  55          1HB       LYS  55  10.189  -5.498   3.993
  361   1HG   LYS  55          2HG       LYS  55  12.492  -5.067   3.424
  362   2HG   LYS  55          1HG       LYS  55  12.681  -3.976   4.798
  363   1HD   LYS  55          2HD       LYS  55  12.334  -5.825   6.358
  364   2HD   LYS  55          1HD       LYS  55  12.041  -6.932   5.017
  365   1HE   LYS  55          2HE       LYS  55  14.613  -5.365   5.233
  366   2HE   LYS  55          1HE       LYS  55  14.411  -6.923   6.035
  367   1HZ   LYS  55          1HZ       LYS  55  13.490  -7.111   3.384
  368   2HZ   LYS  55          2HZ       LYS  55  14.772  -7.945   4.123
  369   3HZ   LYS  55          3HZ       LYS  55  15.051  -6.446   3.370
  370    H    CYS  56           H        CYS  56   9.294  -1.648   5.389
  371    HA   CYS  56           HA       CYS  56  11.798  -0.041   5.552
  372   1HB   CYS  56          2HB       CYS  56   9.030   0.638   5.370
  373   2HB   CYS  56          1HB       CYS  56   9.617   1.189   6.939
  Start of MODEL    5
    1   1H    ALA   3          1HT       ALA   3   4.840  10.123  -6.353
    2   2H    ALA   3          2HT       ALA   3   6.090   8.974  -6.410
    3   3H    ALA   3          3HT       ALA   3   4.582   8.630  -7.115
    4    HA   ALA   3           HA       ALA   3   5.094  10.755  -8.515
    5   1HB   ALA   3          1HB       ALA   3   7.379  11.218  -8.823
    6   2HB   ALA   3          2HB       ALA   3   7.881   9.684  -8.113
    7   3HB   ALA   3          3HB       ALA   3   7.264  10.973  -7.080
    8    H    VAL   4           H        VAL   4   6.514   7.523  -8.042
    9    HA   VAL   4           HA       VAL   4   6.861   6.861 -10.781
   10    HB   VAL   4           HB       VAL   4   7.779   5.452  -9.019
   11   1HG1  VAL   4          1HG1      VAL   4   6.172   4.002  -7.702
   12   2HG1  VAL   4          2HG1      VAL   4   4.866   5.016  -8.313
   13   3HG1  VAL   4          3HG1      VAL   4   6.122   5.716  -7.292
   14   1HG2  VAL   4          1HG2      VAL   4   7.269   3.331  -9.964
   15   2HG2  VAL   4          2HG2      VAL   4   6.985   4.481 -11.272
   16   3HG2  VAL   4          3HG2      VAL   4   5.623   3.819 -10.368
   17    H    SER   5           H        SER   5   5.468   5.371 -12.077
   18    HA   SER   5           HA       SER   5   2.691   6.295 -11.995
   19   1HB   SER   5          2HB       SER   5   4.023   4.274 -13.823
   20   2HB   SER   5          1HB       SER   5   2.431   4.986 -14.062
   21    HG   SER   5           HG       SER   5   4.698   5.930 -14.902
   22    H    VAL   6           H        VAL   6   0.991   5.184 -11.145
   23    HA   VAL   6           HA       VAL   6   1.352   2.288 -10.541
   24    HB   VAL   6           HB       VAL   6   1.794   3.684  -8.490
   25   1HG1  VAL   6          1HG1      VAL   6   0.422   5.399  -8.007
   26   2HG1  VAL   6          2HG1      VAL   6  -0.938   4.286  -7.873
   27   3HG1  VAL   6          3HG1      VAL   6  -0.546   5.014  -9.430
   28   1HG2  VAL   6          1HG2      VAL   6  -0.779   2.122  -8.219
   29   2HG2  VAL   6          2HG2      VAL   6   0.539   2.260  -7.057
   30   3HG2  VAL   6          3HG2      VAL   6   0.761   1.323  -8.535
   31    H    ASP   7           H        ASP   7  -0.691   1.132 -10.401
   32    HA   ASP   7           HA       ASP   7  -2.895   2.577 -11.808
   33   1HB   ASP   7          2HB       ASP   7  -3.667   0.230 -12.389
   34   2HB   ASP   7          1HB       ASP   7  -2.130   0.707 -13.112
   35    H    CYS   8           H        CYS   8  -4.005   3.403 -10.008
   36    HA   CYS   8           HA       CYS   8  -5.317   1.333  -8.311
   37   1HB   CYS   8          2HB       CYS   8  -3.352   2.725  -7.216
   38   2HB   CYS   8          1HB       CYS   8  -4.586   3.981  -7.108
   39    H    SER   9           H        SER   9  -6.084   3.031 -10.686
   40    HA   SER   9           HA       SER   9  -7.871   5.104  -9.897
   41   1HB   SER   9          2HB       SER   9  -7.229   4.918 -12.218
   42   2HB   SER   9          1HB       SER   9  -7.853   3.274 -12.315
   43    HG   SER   9           HG       SER   9  -9.387   4.651 -13.161
   44    H    GLU  10           H        GLU  10  -8.997   4.253  -8.062
   45    HA   GLU  10           HA       GLU  10 -10.840   3.247  -7.015
   46   1HB   GLU  10          2HB       GLU  10 -11.886   2.536  -9.753
   47   2HB   GLU  10          1HB       GLU  10 -12.795   2.963  -8.303
   48   1HG   GLU  10          2HG       GLU  10 -10.936   4.907  -9.689
   49   2HG   GLU  10          1HG       GLU  10 -12.651   4.780 -10.089
   50    H    TYR  11           H        TYR  11  -8.587   1.661  -7.208
   51    HA   TYR  11           HA       TYR  11  -9.800  -1.024  -7.701
   52   1HB   TYR  11          2HB       TYR  11  -8.180  -0.420  -9.503
   53   2HB   TYR  11          1HB       TYR  11  -6.927  -0.240  -8.276
   54    HD1  TYR  11           1HD      TYR  11  -5.468  -2.014  -8.975
   55    HD2  TYR  11           2HD      TYR  11  -9.623  -2.797  -8.207
   56    HE1  TYR  11           1HE      TYR  11  -5.027  -4.453  -9.061
   57    HE2  TYR  11           2HE      TYR  11  -9.179  -5.233  -8.292
   58    HH   TYR  11           HH       TYR  11  -6.331  -6.597  -7.948
   59    HA   PRO  12           HA       PRO  12  -7.806  -0.584  -3.480
   60   1HB   PRO  12          2HB       PRO  12 -10.115  -0.599  -1.993
   61   2HB   PRO  12          1HB       PRO  12  -9.336   0.886  -2.569
   62   1HG   PRO  12          2HG       PRO  12 -11.804  -0.454  -3.577
   63   2HG   PRO  12          1HG       PRO  12 -11.351   1.257  -3.642
   64   1HD   PRO  12          2HD       PRO  12 -11.178  -0.577  -5.788
   65   2HD   PRO  12          1HD       PRO  12 -10.412   1.024  -5.712
   66    H    LYS  13           H        LYS  13  -7.801  -2.334  -1.862
   67    HA   LYS  13           HA       LYS  13  -9.601  -4.597  -2.141
   68   1HB   LYS  13          2HB       LYS  13  -6.915  -4.629  -3.455
   69   2HB   LYS  13          1HB       LYS  13  -7.478  -6.106  -2.671
   70   1HG   LYS  13          2HG       LYS  13  -9.704  -5.173  -4.081
   71   2HG   LYS  13          1HG       LYS  13  -8.347  -4.911  -5.176
   72   1HD   LYS  13          2HD       LYS  13  -8.299  -7.509  -3.776
   73   2HD   LYS  13          1HD       LYS  13  -9.656  -7.303  -4.883
   74   1HE   LYS  13          2HE       LYS  13  -8.240  -6.951  -6.743
   75   2HE   LYS  13          1HE       LYS  13  -6.841  -6.616  -5.723
   76   1HZ   LYS  13          1HZ       LYS  13  -6.548  -8.788  -6.511
   77   2HZ   LYS  13          2HZ       LYS  13  -8.166  -9.217  -6.214
   78   3HZ   LYS  13          3HZ       LYS  13  -7.095  -8.977  -4.917
   79    H    CYS  14           H        CYS  14  -9.807  -4.405   0.119
   80    HA   CYS  14           HA       CYS  14  -7.349  -4.651   1.756
   81   1HB   CYS  14          2HB       CYS  14 -10.183  -4.456   2.789
   82   2HB   CYS  14          1HB       CYS  14  -8.687  -4.010   3.611
   83    H    ALA  15           H        ALA  15  -8.537  -6.844   0.056
   84    HA   ALA  15           HA       ALA  15  -8.574  -8.901   2.200
   85   1HB   ALA  15          1HB       ALA  15 -10.895  -8.733   1.841
   86   2HB   ALA  15          2HB       ALA  15 -10.422 -10.051   0.770
   87   3HB   ALA  15          3HB       ALA  15 -10.698  -8.439   0.113
   88    H    CYS  16           H        CYS  16  -6.306  -8.738   0.997
   89    HA   CYS  16           HA       CYS  16  -6.380 -10.451  -1.447
   90   1HB   CYS  16          2HB       CYS  16  -4.588  -8.297  -0.481
   91   2HB   CYS  16          1HB       CYS  16  -3.795  -9.661  -1.271
   92    H    THR  17           H        THR  17  -4.172 -11.780  -1.525
   93    HA   THR  17           HA       THR  17  -4.339 -13.630   0.726
   94    HB   THR  17           HB       THR  17  -4.054 -14.359  -1.654
   95    HG1  THR  17           1HG      THR  17  -2.019 -15.653  -1.018
   96   1HG2  THR  17          1HG2      THR  17  -1.925 -12.463  -1.538
   97   2HG2  THR  17          2HG2      THR  17  -2.477 -13.402  -2.925
   98   3HG2  THR  17          3HG2      THR  17  -1.225 -14.048  -1.864
   99    H    MET  18           H        MET  18  -1.207 -14.002   0.126
  100    HA   MET  18           HA       MET  18  -0.322 -11.800   1.930
  101   1HB   MET  18          2HB       MET  18   0.718 -14.611   2.240
  102   2HB   MET  18          1HB       MET  18   0.768 -13.281   3.399
  103   1HG   MET  18          2HG       MET  18  -1.607 -13.426   3.780
  104   2HG   MET  18          1HG       MET  18  -1.804 -14.574   2.455
  105   1HE   MET  18          1HE       MET  18  -2.574 -17.026   5.208
  106   2HE   MET  18          2HE       MET  18  -2.863 -16.549   3.538
  107   3HE   MET  18          3HE       MET  18  -3.170 -15.402   4.839
  108    H    GLU  19           H        GLU  19   0.022 -12.064  -0.951
  109    HA   GLU  19           HA       GLU  19   2.423 -13.150  -1.851
  110   1HB   GLU  19          2HB       GLU  19   0.754 -11.803  -3.209
  111   2HB   GLU  19          1HB       GLU  19   1.507 -10.350  -2.552
  112   1HG   GLU  19          2HG       GLU  19   3.713 -11.175  -3.431
  113   2HG   GLU  19          1HG       GLU  19   2.847 -12.493  -4.223
  114    H    TYR  20           H        TYR  20   4.619 -12.281  -1.977
  115    HA   TYR  20           HA       TYR  20   5.229 -10.573   0.382
  116   1HB   TYR  20          2HB       TYR  20   6.328 -12.947  -0.281
  117   2HB   TYR  20          1HB       TYR  20   7.435 -11.848  -1.109
  118    HD1  TYR  20           1HD      TYR  20   6.993 -13.527   1.876
  119    HD2  TYR  20           2HD      TYR  20   7.886  -9.596   0.399
  120    HE1  TYR  20           1HE      TYR  20   8.068 -12.956   4.035
  121    HE2  TYR  20           2HE      TYR  20   8.962  -9.023   2.556
  122    HH   TYR  20           HH       TYR  20  10.085 -10.359   4.457
  123    H    ARG  21           H        ARG  21   5.203  -8.505  -0.233
  124    HA   ARG  21           HA       ARG  21   7.236  -7.546  -2.100
  125   1HB   ARG  21          2HB       ARG  21   4.551  -6.355  -2.602
  126   2HB   ARG  21          1HB       ARG  21   5.891  -6.591  -3.715
  127   1HG   ARG  21          2HG       ARG  21   4.364  -8.967  -2.666
  128   2HG   ARG  21          1HG       ARG  21   3.732  -8.028  -4.010
  129   1HD   ARG  21          2HD       ARG  21   5.641 -10.085  -4.157
  130   2HD   ARG  21          1HD       ARG  21   5.167  -8.987  -5.450
  131    HE   ARG  21           HE       ARG  21   7.480  -8.506  -3.615
  132   1HH1  ARG  21          1HH1      ARG  21   6.459  -8.975  -6.790
  133   2HH1  ARG  21          2HH1      ARG  21   7.405  -7.690  -7.464
  134   1HH2  ARG  21          1HH2      ARG  21   8.412  -6.457  -4.386
  135   2HH2  ARG  21          2HH2      ARG  21   8.512  -6.268  -6.104
  136    HA   PRO  22           HA       PRO  22   6.670  -4.930   1.554
  137   1HB   PRO  22          2HB       PRO  22   9.337  -4.283   1.745
  138   2HB   PRO  22          1HB       PRO  22   8.617  -5.738   2.457
  139   1HG   PRO  22          2HG       PRO  22  10.318  -5.485   0.019
  140   2HG   PRO  22          1HG       PRO  22  10.122  -6.864   1.112
  141   1HD   PRO  22          2HD       PRO  22   8.912  -6.597  -1.423
  142   2HD   PRO  22          1HD       PRO  22   8.442  -7.764  -0.168
  143    H    LEU  23           H        LEU  23   6.008  -2.847   1.254
  144    HA   LEU  23           HA       LEU  23   7.464  -1.164  -0.749
  145   1HB   LEU  23          2HB       LEU  23   4.495  -1.361  -0.182
  146   2HB   LEU  23          1HB       LEU  23   5.206   0.005  -1.046
  147    HG   LEU  23           HG       LEU  23   5.964  -2.720  -1.982
  148   1HD1  LEU  23          1HD1      LEU  23   3.886  -2.818  -3.378
  149   2HD1  LEU  23          2HD1      LEU  23   3.235  -1.477  -2.436
  150   3HD1  LEU  23          3HD1      LEU  23   3.572  -3.022  -1.655
  151   1HD2  LEU  23          1HD2      LEU  23   6.904  -0.865  -3.154
  152   2HD2  LEU  23          2HD2      LEU  23   5.356  -0.023  -3.210
  153   3HD2  LEU  23          3HD2      LEU  23   5.611  -1.467  -4.191
  154    H    CYS  24           H        CYS  24   8.258   0.711   0.121
  155    HA   CYS  24           HA       CYS  24   7.563   1.333   2.926
  156   1HB   CYS  24          2HB       CYS  24   9.951   1.353   2.019
  157   2HB   CYS  24          1HB       CYS  24   9.510   2.821   1.146
  158    H    GLY  25           H        GLY  25   5.321   1.937   2.250
  159   1HA   GLY  25          2HA       GLY  25   4.580   3.966   0.497
  160   2HA   GLY  25          1HA       GLY  25   3.748   3.673   2.024
  161    H    SER  26           H        SER  26   4.297   6.261   0.726
  162    HA   SER  26           HA       SER  26   6.428   7.723   1.788
  163   1HB   SER  26          2HB       SER  26   4.739   8.626   0.199
  164   2HB   SER  26          1HB       SER  26   3.568   8.694   1.514
  165    HG   SER  26           HG       SER  26   5.499   9.916   2.544
  166    H    ASP  27           H        ASP  27   3.792   6.302   3.509
  167    HA   ASP  27           HA       ASP  27   4.093   8.062   5.849
  168   1HB   ASP  27          2HB       ASP  27   2.336   6.746   6.837
  169   2HB   ASP  27          1HB       ASP  27   1.891   7.017   5.152
  170    H    ASN  28           H        ASN  28   6.337   6.309   4.799
  171    HA   ASN  28           HA       ASN  28   8.002   4.905   5.664
  172   1HB   ASN  28          2HB       ASN  28   7.591   6.890   7.460
  173   2HB   ASN  28          1HB       ASN  28   7.193   5.493   8.461
  174   1HD2  ASN  28          1HD2      ASN  28   9.029   4.915   9.633
  175   2HD2  ASN  28          2HD2      ASN  28  10.606   4.857   9.006
  176    H    LYS  29           H        LYS  29   5.574   3.604   5.057
  177    HA   LYS  29           HA       LYS  29   5.422   1.619   7.289
  178   1HB   LYS  29          2HB       LYS  29   3.326   3.003   6.749
  179   2HB   LYS  29          1HB       LYS  29   3.243   2.071   5.253
  180   1HG   LYS  29          2HG       LYS  29   2.317   0.347   6.354
  181   2HG   LYS  29          1HG       LYS  29   3.713   0.268   7.428
  182   1HD   LYS  29          2HD       LYS  29   2.227   2.528   8.242
  183   2HD   LYS  29          1HD       LYS  29   1.058   1.228   8.001
  184   1HE   LYS  29          2HE       LYS  29   3.074  -0.106   9.280
  185   2HE   LYS  29          1HE       LYS  29   3.194   1.488  10.026
  186   1HZ   LYS  29          1HZ       LYS  29   0.813   1.380  10.500
  187   2HZ   LYS  29          2HZ       LYS  29   1.656   0.104  11.238
  188   3HZ   LYS  29          3HZ       LYS  29   0.742  -0.178   9.833
  189    H    THR  30           H        THR  30   5.126  -0.619   6.643
  190    HA   THR  30           HA       THR  30   6.271  -1.169   3.936
  191    HB   THR  30           HB       THR  30   6.361  -2.848   6.463
  192    HG1  THR  30           1HG      THR  30   8.456  -2.227   6.553
  193   1HG2  THR  30          1HG2      THR  30   8.136  -3.503   4.215
  194   2HG2  THR  30          2HG2      THR  30   6.424  -3.741   3.860
  195   3HG2  THR  30          3HG2      THR  30   7.165  -4.569   5.229
  196    H    TYR  31           H        TYR  31   4.656  -1.784   2.570
  197    HA   TYR  31           HA       TYR  31   2.267  -3.149   3.636
  198   1HB   TYR  31          2HB       TYR  31   2.991  -2.062   0.905
  199   2HB   TYR  31          1HB       TYR  31   1.465  -2.859   1.272
  200    HD1  TYR  31           1HD      TYR  31   3.400   0.195   1.561
  201    HD2  TYR  31           2HD      TYR  31  -0.064  -1.881   3.024
  202    HE1  TYR  31           1HE      TYR  31   2.514   2.321   2.478
  203    HE2  TYR  31           2HE      TYR  31  -0.951   0.246   3.941
  204    HH   TYR  31           HH       TYR  31   0.971   3.205   3.897
  205    H    GLY  32           H        GLY  32   1.531  -5.171   2.705
  206   1HA   GLY  32          2HA       GLY  32   3.724  -7.033   2.209
  207   2HA   GLY  32          1HA       GLY  32   2.012  -7.448   2.287
  208    H    ASN  33           H        ASN  33   1.465  -5.216   0.274
  209    HA   ASN  33           HA       ASN  33   2.844  -5.838  -2.155
  210   1HB   ASN  33          2HB       ASN  33   0.810  -7.019  -3.232
  211   2HB   ASN  33          1HB       ASN  33   1.853  -7.983  -2.185
  212   1HD2  ASN  33          1HD2      ASN  33   0.778  -9.120  -0.568
  213   2HD2  ASN  33          2HD2      ASN  33  -0.762  -8.737   0.033
  214    H    LYS  34           H        LYS  34   1.684  -4.865  -4.058
  215    HA   LYS  34           HA       LYS  34   0.723  -2.267  -3.435
  216   1HB   LYS  34          2HB       LYS  34   0.277  -2.024  -5.795
  217   2HB   LYS  34          1HB       LYS  34   1.744  -2.988  -5.629
  218   1HG   LYS  34          2HG       LYS  34  -0.143  -4.950  -5.590
  219   2HG   LYS  34          1HG       LYS  34  -0.922  -3.772  -6.648
  220   1HD   LYS  34          2HD       LYS  34   1.496  -3.669  -7.745
  221   2HD   LYS  34          1HD       LYS  34   1.629  -5.284  -7.051
  222   1HE   LYS  34          2HE       LYS  34  -0.120  -6.132  -8.351
  223   2HE   LYS  34          1HE       LYS  34  -0.821  -4.537  -8.623
  224   1HZ   LYS  34          1HZ       LYS  34   1.139  -5.921 -10.148
  225   2HZ   LYS  34          2HZ       LYS  34   1.717  -4.400  -9.660
  226   3HZ   LYS  34          3HZ       LYS  34   0.268  -4.519 -10.539
  227    H    CYS  35           H        CYS  35  -0.918  -5.268  -3.360
  228    HA   CYS  35           HA       CYS  35  -3.568  -4.203  -3.958
  229   1HB   CYS  35          2HB       CYS  35  -3.238  -6.574  -4.257
  230   2HB   CYS  35          1HB       CYS  35  -2.616  -6.751  -2.618
  231    H    ASN  36           H        ASN  36  -1.562  -4.728  -1.127
  232    HA   ASN  36           HA       ASN  36  -3.648  -3.892   0.754
  233   1HB   ASN  36          2HB       ASN  36  -1.262  -5.321   0.951
  234   2HB   ASN  36          1HB       ASN  36  -0.883  -3.774   1.702
  235   1HD2  ASN  36          1HD2      ASN  36  -3.452  -6.304   1.749
  236   2HD2  ASN  36          2HD2      ASN  36  -3.807  -6.123   3.399
  237    H    PHE  37           H        PHE  37  -1.279  -2.457  -1.267
  238    HA   PHE  37           HA       PHE  37  -1.026   0.017   0.275
  239   1HB   PHE  37          2HB       PHE  37   0.825  -0.804  -1.177
  240   2HB   PHE  37          1HB       PHE  37  -0.221  -0.611  -2.584
  241    HD1  PHE  37           1HD      PHE  37  -0.669   1.537  -3.536
  242    HD2  PHE  37           2HD      PHE  37   1.512   1.206   0.148
  243    HE1  PHE  37           1HE      PHE  37  -0.057   3.934  -3.686
  244    HE2  PHE  37           2HE      PHE  37   2.126   3.605  -0.001
  245    HZ   PHE  37           HZ       PHE  37   1.338   4.966  -1.920
  246    H    CYS  38           H        CYS  38  -2.881  -1.193  -2.464
  247    HA   CYS  38           HA       CYS  38  -3.985   1.388  -3.183
  248   1HB   CYS  38          2HB       CYS  38  -4.351  -1.424  -3.998
  249   2HB   CYS  38          1HB       CYS  38  -5.813  -0.442  -4.101
  250    H    CYS  39           H        CYS  39  -4.752  -1.110  -0.859
  251    HA   CYS  39           HA       CYS  39  -7.453  -0.126  -0.341
  252   1HB   CYS  39          2HB       CYS  39  -7.103  -2.413   0.214
  253   2HB   CYS  39          1HB       CYS  39  -5.608  -2.056   1.076
  254    H    ALA  40           H        ALA  40  -4.248   0.297   1.105
  255    HA   ALA  40           HA       ALA  40  -5.195   1.958   3.290
  256   1HB   ALA  40          1HB       ALA  40  -2.835   2.435   3.677
  257   2HB   ALA  40          2HB       ALA  40  -2.415   1.818   2.079
  258   3HB   ALA  40          3HB       ALA  40  -3.015   0.717   3.320
  259    H    VAL  41           H        VAL  41  -4.451   2.477  -0.051
  260    HA   VAL  41           HA       VAL  41  -4.010   5.351   0.178
  261    HB   VAL  41           HB       VAL  41  -4.527   3.491  -2.152
  262   1HG1  VAL  41          1HG1      VAL  41  -4.578   6.463  -1.999
  263   2HG1  VAL  41          2HG1      VAL  41  -5.381   5.380  -3.136
  264   3HG1  VAL  41          3HG1      VAL  41  -3.672   5.761  -3.341
  265   1HG2  VAL  41          1HG2      VAL  41  -2.107   5.211  -1.590
  266   2HG2  VAL  41          2HG2      VAL  41  -2.221   3.785  -2.621
  267   3HG2  VAL  41          3HG2      VAL  41  -2.283   3.612  -0.868
  268    H    VAL  42           H        VAL  42  -6.747   3.225  -0.442
  269    HA   VAL  42           HA       VAL  42  -8.521   5.454  -1.126
  270    HB   VAL  42           HB       VAL  42  -8.916   2.488  -0.715
  271   1HG1  VAL  42          1HG1      VAL  42 -11.310   2.975  -1.474
  272   2HG1  VAL  42          2HG1      VAL  42 -10.999   4.659  -1.053
  273   3HG1  VAL  42          3HG1      VAL  42 -10.929   3.411   0.192
  274   1HG2  VAL  42          1HG2      VAL  42  -9.290   4.381  -3.059
  275   2HG2  VAL  42          2HG2      VAL  42  -9.618   2.649  -3.099
  276   3HG2  VAL  42          3HG2      VAL  42  -7.970   3.230  -2.855
  277    H    GLU  43           H        GLU  43  -7.396   3.986   1.763
  278    HA   GLU  43           HA       GLU  43  -9.785   4.768   3.309
  279   1HB   GLU  43          2HB       GLU  43  -8.744   3.714   5.181
  280   2HB   GLU  43          1HB       GLU  43  -8.389   2.682   3.796
  281   1HG   GLU  43          2HG       GLU  43  -6.160   3.523   3.621
  282   2HG   GLU  43          1HG       GLU  43  -6.493   4.844   4.739
  283    H    SER  44           H        SER  44  -6.606   5.998   2.540
  284    HA   SER  44           HA       SER  44  -6.720   8.037   4.666
  285   1HB   SER  44          2HB       SER  44  -4.637   6.848   3.306
  286   2HB   SER  44          1HB       SER  44  -4.755   8.415   2.510
  287    HG   SER  44           HG       SER  44  -4.835   9.271   4.740
  288    H    ASN  45           H        ASN  45  -8.562   7.749   2.125
  289    HA   ASN  45           HA       ASN  45  -9.848   9.332   0.945
  290   1HB   ASN  45          2HB       ASN  45  -9.207  10.766   3.064
  291   2HB   ASN  45          1HB       ASN  45  -8.103  11.563   1.943
  292   1HD2  ASN  45          1HD2      ASN  45 -10.761  12.483   3.229
  293   2HD2  ASN  45          2HD2      ASN  45 -11.683  13.020   1.909
  294    H    GLY  46           H        GLY  46  -7.239   8.111   0.082
  295   1HA   GLY  46          2HA       GLY  46  -5.957   8.190  -1.887
  296   2HA   GLY  46          1HA       GLY  46  -6.998   9.507  -2.431
  297    H    THR  47           H        THR  47  -5.347   9.723   0.642
  298    HA   THR  47           HA       THR  47  -3.660  11.896  -0.532
  299    HB   THR  47           HB       THR  47  -3.544  12.793   1.768
  300    HG1  THR  47           1HG      THR  47  -3.746  11.054   3.050
  301   1HG2  THR  47          1HG2      THR  47  -5.484  13.255   0.132
  302   2HG2  THR  47          2HG2      THR  47  -5.749  13.650   1.831
  303   3HG2  THR  47          3HG2      THR  47  -6.431  12.172   1.152
  304    H    LEU  48           H        LEU  48  -3.382   8.734   0.276
  305    HA   LEU  48           HA       LEU  48  -0.751   8.961   1.626
  306   1HB   LEU  48          2HB       LEU  48  -2.531   7.222   2.250
  307   2HB   LEU  48          1HB       LEU  48  -2.131   6.422   0.729
  308    HG   LEU  48           HG       LEU  48   0.329   7.021   2.009
  309   1HD1  LEU  48          1HD1      LEU  48  -0.494   7.177   4.176
  310   2HD1  LEU  48          2HD1      LEU  48  -0.228   5.437   4.059
  311   3HD1  LEU  48          3HD1      LEU  48  -1.850   6.099   3.849
  312   1HD2  LEU  48          1HD2      LEU  48   0.244   4.415   2.247
  313   2HD2  LEU  48          2HD2      LEU  48   0.214   5.122   0.631
  314   3HD2  LEU  48          3HD2      LEU  48  -1.282   4.558   1.375
  315    H    THR  49           H        THR  49   1.171   8.012   0.647
  316    HA   THR  49           HA       THR  49   0.963   7.443  -2.268
  317    HB   THR  49           HB       THR  49   2.824   8.961  -2.763
  318    HG1  THR  49           1HG      THR  49   3.502  10.371  -1.066
  319   1HG2  THR  49          1HG2      THR  49   1.341  10.987  -1.401
  320   2HG2  THR  49          2HG2      THR  49   0.213   9.743  -1.936
  321   3HG2  THR  49          3HG2      THR  49   1.268  10.537  -3.103
  322    H    LEU  50           H        LEU  50   3.794   7.419  -2.644
  323    HA   LEU  50           HA       LEU  50   4.549   5.012  -1.041
  324   1HB   LEU  50          2HB       LEU  50   4.365   4.265  -3.257
  325   2HB   LEU  50          1HB       LEU  50   4.933   5.791  -3.925
  326    HG   LEU  50           HG       LEU  50   7.208   5.241  -2.886
  327   1HD1  LEU  50          1HD1      LEU  50   6.023   3.390  -1.446
  328   2HD1  LEU  50          2HD1      LEU  50   7.640   3.088  -2.080
  329   3HD1  LEU  50          3HD1      LEU  50   6.232   2.398  -2.888
  330   1HD2  LEU  50          1HD2      LEU  50   6.017   3.476  -5.045
  331   2HD2  LEU  50          2HD2      LEU  50   7.745   3.610  -4.722
  332   3HD2  LEU  50          3HD2      LEU  50   6.841   5.019  -5.276
  333    H    SER  51           H        SER  51   6.965   4.834  -0.675
  334    HA   SER  51           HA       SER  51   8.268   7.523  -0.635
  335   1HB   SER  51          2HB       SER  51   8.380   7.479   1.609
  336   2HB   SER  51          1HB       SER  51   7.428   6.001   1.607
  337    HG   SER  51           HG       SER  51   9.899   6.266   2.364
  338    H    HIS  52           H        HIS  52   8.684   4.010  -0.825
  339    HA   HIS  52           HA       HIS  52  10.899   4.164  -2.571
  340   1HB   HIS  52          2HB       HIS  52  12.583   4.778  -1.194
  341   2HB   HIS  52          1HB       HIS  52  11.550   4.642   0.223
  342    HD1  HIS  52           1HD      HIS  52  11.782   2.550   1.659
  343    HD2  HIS  52           2HD      HIS  52  14.011   2.336  -1.857
  344    HE1  HIS  52           1HE      HIS  52  13.288   0.527   1.888
  345    H    PHE  53           H        PHE  53  10.186   2.342  -3.589
  346    HA   PHE  53           HA       PHE  53   8.900   0.108  -2.607
  347   1HB   PHE  53          2HB       PHE  53  10.909   0.465  -4.815
  348   2HB   PHE  53          1HB       PHE  53  10.312  -1.143  -4.430
  349    HD1  PHE  53           1HD      PHE  53   9.345   2.242  -5.570
  350    HD2  PHE  53           2HD      PHE  53   8.042  -1.799  -4.914
  351    HE1  PHE  53           1HE      PHE  53   7.270   2.702  -6.850
  352    HE2  PHE  53           2HE      PHE  53   5.969  -1.338  -6.191
  353    HZ   PHE  53           HZ       PHE  53   5.582   0.912  -7.158
  354    H    GLY  54           H        GLY  54   9.457  -1.116  -0.859
  355   1HA   GLY  54          2HA       GLY  54  11.269  -2.953  -0.408
  356   2HA   GLY  54          1HA       GLY  54  12.352  -1.565  -0.307
  357    H    LYS  55           H        LYS  55  12.325  -2.977   1.931
  358    HA   LYS  55           HA       LYS  55  10.203  -2.290   3.778
  359   1HB   LYS  55          2HB       LYS  55  12.889  -3.588   3.965
  360   2HB   LYS  55          1HB       LYS  55  12.172  -2.956   5.449
  361   1HG   LYS  55          2HG       LYS  55  10.615  -4.596   5.521
  362   2HG   LYS  55          1HG       LYS  55  10.261  -4.446   3.800
  363   1HD   LYS  55          2HD       LYS  55  11.186  -6.613   4.010
  364   2HD   LYS  55          1HD       LYS  55  12.526  -5.626   3.424
  365   1HE   LYS  55          2HE       LYS  55  13.673  -5.766   5.400
  366   2HE   LYS  55          1HE       LYS  55  12.200  -5.765   6.373
  367   1HZ   LYS  55          1HZ       LYS  55  13.216  -8.046   4.765
  368   2HZ   LYS  55          2HZ       LYS  55  11.790  -8.046   5.687
  369   3HZ   LYS  55          3HZ       LYS  55  13.300  -7.911   6.454
  370    H    CYS  56           H        CYS  56  10.063  -0.539   5.145
  371    HA   CYS  56           HA       CYS  56  11.643   1.799   4.591
  372   1HB   CYS  56          2HB       CYS  56   9.848   1.182   6.960
  373   2HB   CYS  56          1HB       CYS  56  10.467   2.780   6.541
  Start of MODEL    6
    1   1H    ALA   3          1HT       ALA   3   8.678  11.035  -8.023
    2   2H    ALA   3          2HT       ALA   3   8.543   9.637  -7.067
    3   3H    ALA   3          3HT       ALA   3   7.713  11.053  -6.629
    4    HA   ALA   3           HA       ALA   3   6.005   9.922  -7.591
    5   1HB   ALA   3          1HB       ALA   3   7.291  11.002 -10.105
    6   2HB   ALA   3          2HB       ALA   3   6.612  12.069  -8.875
    7   3HB   ALA   3          3HB       ALA   3   5.575  10.913  -9.710
    8    H    VAL   4           H        VAL   4   5.469   7.897  -8.290
    9    HA   VAL   4           HA       VAL   4   7.465   6.463  -9.994
   10    HB   VAL   4           HB       VAL   4   6.429   4.381  -8.761
   11   1HG1  VAL   4          1HG1      VAL   4   8.355   6.270  -7.375
   12   2HG1  VAL   4          2HG1      VAL   4   8.790   5.116  -8.635
   13   3HG1  VAL   4          3HG1      VAL   4   8.210   4.539  -7.073
   14   1HG2  VAL   4          1HG2      VAL   4   4.842   6.156  -7.579
   15   2HG2  VAL   4          2HG2      VAL   4   6.214   6.313  -6.482
   16   3HG2  VAL   4          3HG2      VAL   4   5.432   4.747  -6.697
   17    H    SER   5           H        SER   5   6.165   4.289 -10.772
   18    HA   SER   5           HA       SER   5   3.815   5.383 -12.222
   19   1HB   SER   5          2HB       SER   5   5.976   3.706 -12.968
   20   2HB   SER   5          1HB       SER   5   4.524   2.712 -13.029
   21    HG   SER   5           HG       SER   5   3.572   4.328 -14.329
   22    H    VAL   6           H        VAL   6   2.897   5.056  -9.817
   23    HA   VAL   6           HA       VAL   6   1.689   2.320  -9.722
   24    HB   VAL   6           HB       VAL   6   3.183   2.982  -7.780
   25   1HG1  VAL   6          1HG1      VAL   6   1.881   5.390  -7.978
   26   2HG1  VAL   6          2HG1      VAL   6   2.772   4.855  -6.553
   27   3HG1  VAL   6          3HG1      VAL   6   1.024   4.635  -6.635
   28   1HG2  VAL   6          1HG2      VAL   6   0.670   2.725  -6.382
   29   2HG2  VAL   6          2HG2      VAL   6   1.922   1.508  -6.632
   30   3HG2  VAL   6          3HG2      VAL   6   0.648   1.723  -7.833
   31    H    ASP   7           H        ASP   7  -0.584   2.231  -9.150
   32    HA   ASP   7           HA       ASP   7  -2.128   4.657  -8.791
   33   1HB   ASP   7          2HB       ASP   7  -1.541   3.811 -11.488
   34   2HB   ASP   7          1HB       ASP   7  -3.273   3.675 -11.181
   35    H    CYS   8           H        CYS   8  -4.222   4.164  -8.104
   36    HA   CYS   8           HA       CYS   8  -4.946   1.261  -8.110
   37   1HB   CYS   8          2HB       CYS   8  -5.572   3.282  -5.935
   38   2HB   CYS   8          1HB       CYS   8  -5.941   1.558  -5.904
   39    H    SER   9           H        SER   9  -5.776   2.887 -10.176
   40    HA   SER   9           HA       SER   9  -8.118   4.371  -9.955
   41   1HB   SER   9          2HB       SER   9  -6.836   3.946 -12.075
   42   2HB   SER   9          1HB       SER   9  -7.559   2.341 -12.137
   43    HG   SER   9           HG       SER   9  -9.199   4.596 -11.814
   44    H    GLU  10           H        GLU  10  -9.411   3.493  -8.290
   45    HA   GLU  10           HA       GLU  10 -11.209   2.229  -7.466
   46   1HB   GLU  10          2HB       GLU  10 -11.291   1.559 -10.406
   47   2HB   GLU  10          1HB       GLU  10 -12.381   0.765  -9.270
   48   1HG   GLU  10          2HG       GLU  10 -13.715   2.567  -9.672
   49   2HG   GLU  10          1HG       GLU  10 -12.662   3.366  -8.504
   50    H    TYR  11           H        TYR  11  -9.049   1.178  -6.532
   51    HA   TYR  11           HA       TYR  11  -9.241  -1.740  -7.140
   52   1HB   TYR  11          2HB       TYR  11  -7.063  -0.226  -7.780
   53   2HB   TYR  11          1HB       TYR  11  -6.637  -0.749  -6.150
   54    HD1  TYR  11           1HD      TYR  11  -8.673  -2.542  -8.722
   55    HD2  TYR  11           2HD      TYR  11  -5.001  -2.415  -6.494
   56    HE1  TYR  11           1HE      TYR  11  -8.064  -4.780  -9.598
   57    HE2  TYR  11           2HE      TYR  11  -4.392  -4.654  -7.371
   58    HH   TYR  11           HH       TYR  11  -6.513  -6.733  -8.728
   59    HA   PRO  12           HA       PRO  12  -9.537  -0.674  -2.544
   60   1HB   PRO  12          2HB       PRO  12 -12.243  -1.008  -2.223
   61   2HB   PRO  12          1HB       PRO  12 -11.492   0.558  -2.579
   62   1HG   PRO  12          2HG       PRO  12 -13.021  -1.250  -4.402
   63   2HG   PRO  12          1HG       PRO  12 -12.860   0.515  -4.446
   64   1HD   PRO  12          2HD       PRO  12 -11.471  -1.281  -6.109
   65   2HD   PRO  12          1HD       PRO  12 -11.039   0.417  -5.822
   66    H    LYS  13           H        LYS  13  -8.822  -2.588  -1.627
   67    HA   LYS  13           HA       LYS  13 -10.609  -4.833  -1.328
   68   1HB   LYS  13          2HB       LYS  13  -8.705  -6.326  -2.554
   69   2HB   LYS  13          1HB       LYS  13 -10.162  -5.760  -3.369
   70   1HG   LYS  13          2HG       LYS  13  -8.996  -3.862  -4.297
   71   2HG   LYS  13          1HG       LYS  13  -7.566  -4.198  -3.320
   72   1HD   LYS  13          2HD       LYS  13  -8.274  -6.553  -4.821
   73   2HD   LYS  13          1HD       LYS  13  -8.143  -5.175  -5.915
   74   1HE   LYS  13          2HE       LYS  13  -5.903  -4.800  -5.396
   75   2HE   LYS  13          1HE       LYS  13  -6.032  -5.585  -3.821
   76   1HZ   LYS  13          1HZ       LYS  13  -5.133  -7.335  -4.840
   77   2HZ   LYS  13          2HZ       LYS  13  -5.445  -6.723  -6.394
   78   3HZ   LYS  13          3HZ       LYS  13  -6.655  -7.569  -5.553
   79    H    CYS  14           H        CYS  14 -10.045  -4.725   0.861
   80    HA   CYS  14           HA       CYS  14  -7.182  -4.920   1.589
   81   1HB   CYS  14          2HB       CYS  14  -9.627  -4.008   2.896
   82   2HB   CYS  14          1HB       CYS  14  -8.698  -5.096   3.928
   83    H    ALA  15           H        ALA  15  -8.785  -7.121   0.277
   84    HA   ALA  15           HA       ALA  15  -8.137  -9.225   2.293
   85   1HB   ALA  15          1HB       ALA  15 -10.438  -9.644   0.424
   86   2HB   ALA  15          2HB       ALA  15 -10.693  -8.636   1.849
   87   3HB   ALA  15          3HB       ALA  15 -10.169 -10.309   2.035
   88    H    CYS  16           H        CYS  16  -6.132  -9.304   0.984
   89    HA   CYS  16           HA       CYS  16  -6.517 -10.569  -1.694
   90   1HB   CYS  16          2HB       CYS  16  -4.298  -8.965  -0.453
   91   2HB   CYS  16          1HB       CYS  16  -3.953 -10.061  -1.793
   92    H    THR  17           H        THR  17  -4.410 -12.046  -2.099
   93    HA   THR  17           HA       THR  17  -4.719 -14.250  -0.211
   94    HB   THR  17           HB       THR  17  -2.893 -13.957  -2.614
   95    HG1  THR  17           1HG      THR  17  -5.256 -13.882  -2.880
   96   1HG2  THR  17          1HG2      THR  17  -3.782 -16.442  -1.125
   97   2HG2  THR  17          2HG2      THR  17  -2.194 -15.694  -0.955
   98   3HG2  THR  17          3HG2      THR  17  -2.685 -16.379  -2.505
   99    H    MET  18           H        MET  18  -1.486 -13.927  -1.401
  100    HA   MET  18           HA       MET  18  -0.466 -12.562   0.972
  101   1HB   MET  18          2HB       MET  18  -0.344 -15.555   0.688
  102   2HB   MET  18          1HB       MET  18   0.943 -14.691   1.533
  103   1HG   MET  18          2HG       MET  18  -1.096 -13.523   2.760
  104   2HG   MET  18          1HG       MET  18  -1.943 -14.992   2.276
  105   1HE   MET  18          1HE       MET  18  -2.204 -15.403   5.153
  106   2HE   MET  18          2HE       MET  18  -1.464 -17.002   5.171
  107   3HE   MET  18          3HE       MET  18  -2.365 -16.472   3.752
  108    H    GLU  19           H        GLU  19  -0.039 -11.770  -1.567
  109    HA   GLU  19           HA       GLU  19   2.311 -12.991  -2.767
  110   1HB   GLU  19          2HB       GLU  19   0.508 -10.745  -3.346
  111   2HB   GLU  19          1HB       GLU  19   2.187 -10.418  -3.774
  112   1HG   GLU  19          2HG       GLU  19   1.678 -11.537  -5.690
  113   2HG   GLU  19          1HG       GLU  19   1.896 -12.977  -4.694
  114    H    TYR  20           H        TYR  20   4.472 -12.132  -2.729
  115    HA   TYR  20           HA       TYR  20   5.015 -10.521  -0.290
  116   1HB   TYR  20          2HB       TYR  20   6.217 -12.779  -1.048
  117   2HB   TYR  20          1HB       TYR  20   7.205 -11.633  -1.954
  118    HD1  TYR  20           1HD      TYR  20   6.707 -13.163   1.221
  119    HD2  TYR  20           2HD      TYR  20   8.068  -9.543  -0.649
  120    HE1  TYR  20           1HE      TYR  20   7.940 -12.558   3.286
  121    HE2  TYR  20           2HE      TYR  20   9.300  -8.938   1.415
  122    HH   TYR  20           HH       TYR  20  10.299 -10.202   3.398
  123    H    ARG  21           H        ARG  21   4.740  -8.421  -0.890
  124    HA   ARG  21           HA       ARG  21   6.677  -7.337  -2.857
  125   1HB   ARG  21          2HB       ARG  21   3.897  -6.190  -2.809
  126   2HB   ARG  21          1HB       ARG  21   5.109  -6.108  -4.083
  127   1HG   ARG  21          2HG       ARG  21   4.047  -8.808  -3.351
  128   2HG   ARG  21          1HG       ARG  21   3.003  -7.731  -4.274
  129   1HD   ARG  21          2HD       ARG  21   4.122  -8.338  -6.127
  130   2HD   ARG  21          1HD       ARG  21   5.539  -7.518  -5.472
  131    HE   ARG  21           HE       ARG  21   5.184 -10.230  -4.445
  132   1HH1  ARG  21          1HH2      ARG  21   7.778  -8.682  -4.968
  133   2HH1  ARG  21          2HH2      ARG  21   8.432  -9.583  -6.295
  134   1HH2  ARG  21          1HH1      ARG  21   5.452 -11.201  -7.010
  135   2HH2  ARG  21          2HH1      ARG  21   7.115 -11.007  -7.451
  136    HA   PRO  22           HA       PRO  22   6.771  -4.986   1.022
  137   1HB   PRO  22          2HB       PRO  22   9.460  -4.439   0.849
  138   2HB   PRO  22          1HB       PRO  22   8.800  -5.927   1.549
  139   1HG   PRO  22          2HG       PRO  22  10.122  -5.523  -1.096
  140   2HG   PRO  22          1HG       PRO  22  10.041  -6.981  -0.093
  141   1HD   PRO  22          2HD       PRO  22   8.469  -6.473  -2.384
  142   2HD   PRO  22          1HD       PRO  22   8.156  -7.729  -1.167
  143    H    LEU  23           H        LEU  23   5.818  -3.019   0.623
  144    HA   LEU  23           HA       LEU  23   7.205  -1.146  -1.260
  145   1HB   LEU  23          2HB       LEU  23   4.280  -1.381  -0.493
  146   2HB   LEU  23          1HB       LEU  23   4.938   0.004  -1.375
  147    HG   LEU  23           HG       LEU  23   5.872  -2.375  -2.660
  148   1HD1  LEU  23          1HD1      LEU  23   4.095  -3.685  -1.782
  149   2HD1  LEU  23          2HD1      LEU  23   3.530  -3.183  -3.375
  150   3HD1  LEU  23          3HD1      LEU  23   2.938  -2.361  -1.930
  151   1HD2  LEU  23          1HD2      LEU  23   5.308  -1.133  -4.474
  152   2HD2  LEU  23          2HD2      LEU  23   4.897   0.132  -3.316
  153   3HD2  LEU  23          3HD2      LEU  23   3.643  -0.946  -3.926
  154    H    CYS  24           H        CYS  24   8.038   0.684  -0.305
  155    HA   CYS  24           HA       CYS  24   7.428   1.120   2.559
  156   1HB   CYS  24          2HB       CYS  24   9.777   1.310   1.817
  157   2HB   CYS  24          1HB       CYS  24   9.318   2.577   0.681
  158    H    GLY  25           H        GLY  25   5.689   2.389   3.035
  159   1HA   GLY  25          2HA       GLY  25   4.467   4.073   1.001
  160   2HA   GLY  25          1HA       GLY  25   3.943   3.937   2.682
  161    H    SER  26           H        SER  26   4.468   6.357   0.936
  162    HA   SER  26           HA       SER  26   6.814   7.733   1.633
  163   1HB   SER  26          2HB       SER  26   4.100   8.466   0.784
  164   2HB   SER  26          1HB       SER  26   4.913   9.718   1.717
  165    HG   SER  26           HG       SER  26   5.421   9.903  -0.483
  166    H    ASP  27           H        ASP  27   4.233   6.772   3.710
  167    HA   ASP  27           HA       ASP  27   4.779   8.817   5.744
  168   1HB   ASP  27          2HB       ASP  27   3.068   7.691   7.041
  169   2HB   ASP  27          1HB       ASP  27   2.507   7.811   5.374
  170    H    ASN  28           H        ASN  28   6.840   6.719   4.809
  171    HA   ASN  28           HA       ASN  28   8.577   5.520   5.816
  172   1HB   ASN  28          2HB       ASN  28   8.162   7.676   7.418
  173   2HB   ASN  28          1HB       ASN  28   7.845   6.368   8.559
  174   1HD2  ASN  28          1HD2      ASN  28  10.299   8.307   7.900
  175   2HD2  ASN  28          2HD2      ASN  28  11.617   7.238   7.974
  176    H    LYS  29           H        LYS  29   6.046   4.198   5.456
  177    HA   LYS  29           HA       LYS  29   6.075   2.381   7.844
  178   1HB   LYS  29          2HB       LYS  29   3.899   3.762   6.649
  179   2HB   LYS  29          1HB       LYS  29   3.689   2.049   6.284
  180   1HG   LYS  29          2HG       LYS  29   4.552   2.594   9.048
  181   2HG   LYS  29          1HG       LYS  29   2.957   3.234   8.651
  182   1HD   LYS  29          2HD       LYS  29   2.258   1.020   7.834
  183   2HD   LYS  29          1HD       LYS  29   3.857   0.373   8.202
  184   1HE   LYS  29          2HE       LYS  29   3.382   1.310  10.607
  185   2HE   LYS  29          1HE       LYS  29   1.696   1.259  10.094
  186   1HZ   LYS  29          1HZ       LYS  29   3.038  -0.822  11.133
  187   2HZ   LYS  29          2HZ       LYS  29   3.213  -1.117   9.468
  188   3HZ   LYS  29          3HZ       LYS  29   1.664  -0.963  10.149
  189    H    THR  30           H        THR  30   5.451   0.077   7.270
  190    HA   THR  30           HA       THR  30   6.641  -0.629   4.620
  191    HB   THR  30           HB       THR  30   6.570  -2.117   7.255
  192    HG1  THR  30           1HG      THR  30   8.793  -2.008   6.992
  193   1HG2  THR  30          1HG2      THR  30   6.503  -4.043   6.094
  194   2HG2  THR  30          2HG2      THR  30   8.055  -3.597   5.387
  195   3HG2  THR  30          3HG2      THR  30   6.556  -3.178   4.558
  196    H    TYR  31           H        TYR  31   5.353  -1.692   3.179
  197    HA   TYR  31           HA       TYR  31   2.661  -2.557   4.123
  198   1HB   TYR  31          2HB       TYR  31   3.722  -1.480   1.529
  199   2HB   TYR  31          1HB       TYR  31   2.286  -2.498   1.522
  200    HD1  TYR  31           1HD      TYR  31   3.681   0.328   3.565
  201    HD2  TYR  31           2HD      TYR  31   0.245  -1.394   1.646
  202    HE1  TYR  31           1HE      TYR  31   2.308   2.261   4.290
  203    HE2  TYR  31           2HE      TYR  31  -1.128   0.540   2.370
  204    HH   TYR  31           HH       TYR  31  -0.893   2.291   4.435
  205    H    GLY  32           H        GLY  32   1.919  -4.645   3.564
  206   1HA   GLY  32          2HA       GLY  32   4.009  -6.633   3.166
  207   2HA   GLY  32          1HA       GLY  32   2.280  -6.964   3.304
  208    H    ASN  33           H        ASN  33   1.573  -5.066   1.149
  209    HA   ASN  33           HA       ASN  33   2.964  -5.889  -1.251
  210   1HB   ASN  33          2HB       ASN  33   0.908  -7.110  -2.184
  211   2HB   ASN  33          1HB       ASN  33   1.886  -7.991  -1.008
  212   1HD2  ASN  33          1HD2      ASN  33   0.546  -9.074   0.432
  213   2HD2  ASN  33          2HD2      ASN  33  -0.901  -8.461   1.070
  214    H    LYS  34           H        LYS  34   1.849  -5.023  -3.204
  215    HA   LYS  34           HA       LYS  34   0.941  -2.362  -2.812
  216   1HB   LYS  34          2HB       LYS  34   1.938  -3.462  -4.933
  217   2HB   LYS  34          1HB       LYS  34   0.288  -3.985  -5.268
  218   1HG   LYS  34          2HG       LYS  34  -0.083  -1.340  -4.630
  219   2HG   LYS  34          1HG       LYS  34   1.476  -1.298  -5.453
  220   1HD   LYS  34          2HD       LYS  34  -0.044  -3.023  -7.019
  221   2HD   LYS  34          1HD       LYS  34  -1.187  -1.760  -6.558
  222   1HE   LYS  34          2HE       LYS  34  -0.012  -0.100  -7.652
  223   2HE   LYS  34          1HE       LYS  34   1.539  -0.914  -7.441
  224   1HZ   LYS  34          1HZ       LYS  34   0.757  -0.962  -9.748
  225   2HZ   LYS  34          2HZ       LYS  34  -0.623  -1.826  -9.261
  226   3HZ   LYS  34          3HZ       LYS  34   0.920  -2.520  -9.099
  227    H    CYS  35           H        CYS  35  -0.725  -5.324  -2.482
  228    HA   CYS  35           HA       CYS  35  -3.364  -4.390  -3.236
  229   1HB   CYS  35          2HB       CYS  35  -2.939  -6.782  -3.124
  230   2HB   CYS  35          1HB       CYS  35  -2.453  -6.657  -1.435
  231    H    ASN  36           H        ASN  36  -1.433  -4.416  -0.298
  232    HA   ASN  36           HA       ASN  36  -3.570  -3.319   1.367
  233   1HB   ASN  36          2HB       ASN  36  -1.151  -4.628   1.851
  234   2HB   ASN  36          1HB       ASN  36  -0.831  -2.965   2.333
  235   1HD2  ASN  36          1HD2      ASN  36  -3.647  -5.218   2.635
  236   2HD2  ASN  36          2HD2      ASN  36  -3.912  -4.893   4.280
  237    H    PHE  37           H        PHE  37  -1.158  -2.172  -0.799
  238    HA   PHE  37           HA       PHE  37  -0.942   0.511   0.309
  239   1HB   PHE  37          2HB       PHE  37   0.844  -0.571  -1.082
  240   2HB   PHE  37          1HB       PHE  37  -0.238  -0.484  -2.470
  241    HD1  PHE  37           1HD      PHE  37  -0.695   1.611  -3.586
  242    HD2  PHE  37           2HD      PHE  37   1.714   1.506  -0.030
  243    HE1  PHE  37           1HE      PHE  37   0.014   3.951  -3.998
  244    HE2  PHE  37           2HE      PHE  37   2.421   3.850  -0.442
  245    HZ   PHE  37           HZ       PHE  37   1.572   5.070  -2.426
  246    H    CYS  38           H        CYS  38  -2.805  -1.045  -2.277
  247    HA   CYS  38           HA       CYS  38  -4.024   1.458  -3.144
  248   1HB   CYS  38          2HB       CYS  38  -4.524  -1.458  -3.731
  249   2HB   CYS  38          1HB       CYS  38  -5.650  -0.221  -4.286
  250    H    CYS  39           H        CYS  39  -4.608  -0.900  -0.676
  251    HA   CYS  39           HA       CYS  39  -7.424  -0.184  -0.301
  252   1HB   CYS  39          2HB       CYS  39  -6.467  -2.433   0.315
  253   2HB   CYS  39          1HB       CYS  39  -5.572  -1.637   1.610
  254    H    ALA  40           H        ALA  40  -4.303   0.691   1.077
  255    HA   ALA  40           HA       ALA  40  -5.464   2.340   3.189
  256   1HB   ALA  40          1HB       ALA  40  -3.256   2.797   3.821
  257   2HB   ALA  40          2HB       ALA  40  -2.654   2.670   2.168
  258   3HB   ALA  40          3HB       ALA  40  -3.089   1.213   3.063
  259    H    VAL  41           H        VAL  41  -4.600   2.728  -0.150
  260    HA   VAL  41           HA       VAL  41  -4.510   5.656  -0.038
  261    HB   VAL  41           HB       VAL  41  -4.447   3.623  -2.273
  262   1HG1  VAL  41          1HG1      VAL  41  -4.083   5.617  -3.789
  263   2HG1  VAL  41          2HG1      VAL  41  -4.639   6.641  -2.466
  264   3HG1  VAL  41          3HG1      VAL  41  -5.730   5.455  -3.181
  265   1HG2  VAL  41          1HG2      VAL  41  -2.506   5.727  -1.263
  266   2HG2  VAL  41          2HG2      VAL  41  -2.216   4.668  -2.645
  267   3HG2  VAL  41          3HG2      VAL  41  -2.368   3.984  -1.026
  268    H    VAL  42           H        VAL  42  -6.824   3.146  -0.977
  269    HA   VAL  42           HA       VAL  42  -8.800   5.028  -1.967
  270    HB   VAL  42           HB       VAL  42  -8.937   2.116  -1.151
  271   1HG1  VAL  42          1HG1      VAL  42 -11.159   2.479  -0.851
  272   2HG1  VAL  42          2HG1      VAL  42 -11.217   2.612  -2.608
  273   3HG1  VAL  42          3HG1      VAL  42 -11.095   4.065  -1.617
  274   1HG2  VAL  42          1HG2      VAL  42  -7.937   2.109  -3.224
  275   2HG2  VAL  42          2HG2      VAL  42  -8.615   3.674  -3.673
  276   3HG2  VAL  42          3HG2      VAL  42  -9.613   2.222  -3.756
  277    H    GLU  43           H        GLU  43  -7.863   3.883   1.160
  278    HA   GLU  43           HA       GLU  43 -10.421   4.640   2.415
  279   1HB   GLU  43          2HB       GLU  43  -9.441   3.859   4.470
  280   2HB   GLU  43          1HB       GLU  43  -8.987   2.705   3.215
  281   1HG   GLU  43          2HG       GLU  43  -6.789   3.675   3.014
  282   2HG   GLU  43          1HG       GLU  43  -7.231   5.020   4.066
  283    H    SER  44           H        SER  44  -7.199   5.972   1.933
  284    HA   SER  44           HA       SER  44  -7.745   8.212   3.777
  285   1HB   SER  44          2HB       SER  44  -5.396   7.077   2.464
  286   2HB   SER  44          1HB       SER  44  -5.447   8.832   2.325
  287    HG   SER  44           HG       SER  44  -4.464   7.874   4.293
  288    H    ASN  45           H        ASN  45  -8.684   7.462   0.702
  289    HA   ASN  45           HA       ASN  45  -9.790   8.813  -0.886
  290   1HB   ASN  45          2HB       ASN  45 -10.133  10.343   1.192
  291   2HB   ASN  45          1HB       ASN  45  -8.787  11.272   0.535
  292   1HD2  ASN  45          1HD2      ASN  45 -11.484  12.318   0.691
  293   2HD2  ASN  45          2HD2      ASN  45 -12.037  12.554  -0.896
  294    H    GLY  46           H        GLY  46  -6.650   8.372  -0.421
  295   1HA   GLY  46          2HA       GLY  46  -5.118   8.442  -2.320
  296   2HA   GLY  46          1HA       GLY  46  -5.940   9.898  -2.879
  297    H    THR  47           H        THR  47  -5.477   9.908   0.487
  298    HA   THR  47           HA       THR  47  -3.527  12.071   0.247
  299    HB   THR  47           HB       THR  47  -4.685  10.718   2.703
  300    HG1  THR  47           1HG      THR  47  -5.874  12.186   0.935
  301   1HG2  THR  47          1HG2      THR  47  -2.541  12.531   2.405
  302   2HG2  THR  47          2HG2      THR  47  -3.336  12.041   3.901
  303   3HG2  THR  47          3HG2      THR  47  -3.904  13.463   3.025
  304    H    LEU  48           H        LEU  48  -3.421   8.662   0.713
  305    HA   LEU  48           HA       LEU  48  -0.781   8.710   2.028
  306   1HB   LEU  48          2HB       LEU  48  -2.592   6.969   2.486
  307   2HB   LEU  48          1HB       LEU  48  -2.228   6.307   0.893
  308    HG   LEU  48           HG       LEU  48   0.249   6.719   2.248
  309   1HD1  LEU  48          1HD1      LEU  48  -0.326   4.915   4.073
  310   2HD1  LEU  48          2HD1      LEU  48  -1.963   5.546   3.904
  311   3HD1  LEU  48          3HD1      LEU  48  -0.652   6.618   4.397
  312   1HD2  LEU  48          1HD2      LEU  48  -1.119   4.769   0.704
  313   2HD2  LEU  48          2HD2      LEU  48  -0.581   3.962   2.177
  314   3HD2  LEU  48          3HD2      LEU  48   0.588   4.784   1.146
  315    H    THR  49           H        THR  49   1.124   7.756   0.998
  316    HA   THR  49           HA       THR  49   0.972   7.408  -1.941
  317    HB   THR  49           HB       THR  49   3.029   8.927  -2.127
  318    HG1  THR  49           1HG      THR  49   3.474  10.203  -0.464
  319   1HG2  THR  49          1HG2      THR  49   0.445  10.260  -1.291
  320   2HG2  THR  49          2HG2      THR  49   0.690   9.499  -2.863
  321   3HG2  THR  49          3HG2      THR  49   1.662  10.894  -2.399
  322    H    LEU  50           H        LEU  50   3.684   7.240  -2.464
  323    HA   LEU  50           HA       LEU  50   4.671   5.097  -0.622
  324   1HB   LEU  50          2HB       LEU  50   3.819   3.964  -2.561
  325   2HB   LEU  50          1HB       LEU  50   4.580   5.123  -3.650
  326    HG   LEU  50           HG       LEU  50   6.643   4.114  -1.990
  327   1HD1  LEU  50          1HD1      LEU  50   4.605   2.074  -2.809
  328   2HD1  LEU  50          2HD1      LEU  50   5.596   2.145  -1.351
  329   3HD1  LEU  50          3HD1      LEU  50   6.314   1.639  -2.879
  330   1HD2  LEU  50          1HD2      LEU  50   7.257   2.990  -4.256
  331   2HD2  LEU  50          2HD2      LEU  50   7.145   4.749  -4.207
  332   3HD2  LEU  50          3HD2      LEU  50   5.818   3.799  -4.875
  333    H    SER  51           H        SER  51   6.827   5.351  -0.079
  334    HA   SER  51           HA       SER  51   8.221   7.718  -1.131
  335   1HB   SER  51          2HB       SER  51   8.172   6.335   1.343
  336   2HB   SER  51          1HB       SER  51   9.808   6.182   0.712
  337    HG   SER  51           HG       SER  51   9.490   8.113   1.925
  338    H    HIS  52           H        HIS  52   8.512   4.185  -1.268
  339    HA   HIS  52           HA       HIS  52  10.031   4.186  -3.643
  340   1HB   HIS  52          2HB       HIS  52  12.281   3.735  -2.902
  341   2HB   HIS  52          1HB       HIS  52  11.768   5.224  -2.115
  342    HD1  HIS  52           1HD      HIS  52  12.624   1.652  -1.425
  343    HD2  HIS  52           2HD      HIS  52  11.278   4.977   0.699
  344    HE1  HIS  52           1HE      HIS  52  12.861   1.078   1.030
  345    H    PHE  53           H        PHE  53   9.225   2.295  -4.344
  346    HA   PHE  53           HA       PHE  53   8.169   0.163  -2.946
  347   1HB   PHE  53          2HB       PHE  53   9.938  -0.220  -5.374
  348   2HB   PHE  53          1HB       PHE  53   8.555  -1.191  -4.886
  349    HD1  PHE  53           1HD      PHE  53   9.504   1.080  -7.254
  350    HD2  PHE  53           2HD      PHE  53   6.403   0.504  -4.346
  351    HE1  PHE  53           1HE      PHE  53   7.994   2.537  -8.576
  352    HE2  PHE  53           2HE      PHE  53   4.891   1.961  -5.664
  353    HZ   PHE  53           HZ       PHE  53   5.687   2.978  -7.781
  354    H    GLY  54           H        GLY  54   9.107  -0.897  -1.236
  355   1HA   GLY  54          2HA       GLY  54  11.135  -2.692  -1.258
  356   2HA   GLY  54          1HA       GLY  54  12.037  -1.182  -1.121
  357    H    LYS  55           H        LYS  55  11.623  -3.445   0.838
  358    HA   LYS  55           HA       LYS  55   9.912  -2.829   2.953
  359   1HB   LYS  55          2HB       LYS  55  11.307  -4.814   3.036
  360   2HB   LYS  55          1HB       LYS  55  12.772  -3.831   3.068
  361   1HG   LYS  55          2HG       LYS  55  12.034  -2.843   5.228
  362   2HG   LYS  55          1HG       LYS  55  10.623  -3.902   5.208
  363   1HD   LYS  55          2HD       LYS  55  12.281  -4.977   6.578
  364   2HD   LYS  55          1HD       LYS  55  12.224  -5.862   5.053
  365   1HE   LYS  55          2HE       LYS  55  14.086  -3.737   4.721
  366   2HE   LYS  55          1HE       LYS  55  14.462  -4.525   6.253
  367   1HZ   LYS  55          1HZ       LYS  55  14.266  -5.769   3.571
  368   2HZ   LYS  55          2HZ       LYS  55  14.304  -6.678   5.006
  369   3HZ   LYS  55          3HZ       LYS  55  15.624  -5.692   4.585
  370    H    CYS  56           H        CYS  56  10.151  -1.517   4.855
  371    HA   CYS  56           HA       CYS  56  12.210   0.633   4.624
  372   1HB   CYS  56          2HB       CYS  56   9.367   0.890   4.449
  373   2HB   CYS  56          1HB       CYS  56   9.896   1.653   5.948
  Start of MODEL    7
    1   1H    ALA   3          1HT       ALA   3   5.752  12.968 -10.509
    2   2H    ALA   3          2HT       ALA   3   5.323  12.254 -11.990
    3   3H    ALA   3          3HT       ALA   3   6.448  11.491 -10.969
    4    HA   ALA   3           HA       ALA   3   4.377  11.685  -9.309
    5   1HB   ALA   3          1HB       ALA   3   3.275  12.459 -11.709
    6   2HB   ALA   3          2HB       ALA   3   2.369  11.758 -10.367
    7   3HB   ALA   3          3HB       ALA   3   2.926  10.730 -11.687
    8    H    VAL   4           H        VAL   4   4.061   9.623  -8.481
    9    HA   VAL   4           HA       VAL   4   5.758   7.508  -9.487
   10    HB   VAL   4           HB       VAL   4   4.727   6.151  -7.687
   11   1HG1  VAL   4          1HG1      VAL   4   6.286   7.226  -6.464
   12   2HG1  VAL   4          2HG1      VAL   4   5.027   8.365  -5.983
   13   3HG1  VAL   4          3HG1      VAL   4   6.048   8.716  -7.378
   14   1HG2  VAL   4          1HG2      VAL   4   2.803   6.769  -6.577
   15   2HG2  VAL   4          2HG2      VAL   4   2.470   7.543  -8.127
   16   3HG2  VAL   4          3HG2      VAL   4   3.112   8.493  -6.786
   17    H    SER   5           H        SER   5   4.917   5.329 -10.093
   18    HA   SER   5           HA       SER   5   2.608   5.628 -11.926
   19   1HB   SER   5          2HB       SER   5   3.843   3.018 -11.993
   20   2HB   SER   5          1HB       SER   5   3.765   4.235 -13.264
   21    HG   SER   5           HG       SER   5   5.871   3.500 -11.915
   22    H    VAL   6           H        VAL   6   1.035   5.617 -10.131
   23    HA   VAL   6           HA       VAL   6   0.278   2.843  -9.427
   24    HB   VAL   6           HB       VAL   6   1.732   3.792  -7.569
   25   1HG1  VAL   6          1HG1      VAL   6  -0.614   5.419  -6.705
   26   2HG1  VAL   6          2HG1      VAL   6   0.417   6.098  -7.964
   27   3HG1  VAL   6          3HG1      VAL   6   1.104   5.672  -6.396
   28   1HG2  VAL   6          1HG2      VAL   6  -0.138   2.024  -7.352
   29   2HG2  VAL   6          2HG2      VAL   6  -1.113   3.323  -6.667
   30   3HG2  VAL   6          3HG2      VAL   6   0.382   2.829  -5.872
   31    H    ASP   7           H        ASP   7  -1.872   2.649  -9.813
   32    HA   ASP   7           HA       ASP   7  -3.675   4.920  -9.211
   33   1HB   ASP   7          2HB       ASP   7  -2.939   5.129 -11.619
   34   2HB   ASP   7          1HB       ASP   7  -3.690   3.562 -11.922
   35    H    CYS   8           H        CYS   8  -5.253   4.013  -7.985
   36    HA   CYS   8           HA       CYS   8  -6.340   1.367  -8.824
   37   1HB   CYS   8          2HB       CYS   8  -6.149   1.867  -5.894
   38   2HB   CYS   8          1HB       CYS   8  -6.011   0.355  -6.787
   39    H    SER   9           H        SER   9  -7.740   3.447  -9.582
   40    HA   SER   9           HA       SER   9  -9.524   4.515  -7.535
   41   1HB   SER   9          2HB       SER   9  -8.875   5.127 -10.226
   42   2HB   SER   9          1HB       SER   9 -10.600   4.779 -10.188
   43    HG   SER   9           HG       SER   9 -10.647   6.229  -8.321
   44    H    GLU  10           H        GLU  10  -9.503   1.579  -7.732
   45    HA   GLU  10           HA       GLU  10 -12.289   1.074  -7.551
   46   1HB   GLU  10          2HB       GLU  10 -12.652  -0.277  -9.545
   47   2HB   GLU  10          1HB       GLU  10 -12.125   1.330 -10.045
   48   1HG   GLU  10          2HG       GLU  10 -10.358   0.438 -11.110
   49   2HG   GLU  10          1HG       GLU  10  -9.805  -0.300  -9.606
   50    H    TYR  11           H        TYR  11  -9.735   0.562  -6.188
   51    HA   TYR  11           HA       TYR  11  -9.816  -2.437  -6.225
   52   1HB   TYR  11          2HB       TYR  11  -7.617  -0.691  -6.645
   53   2HB   TYR  11          1HB       TYR  11  -7.376  -1.458  -5.076
   54    HD1  TYR  11           1HD      TYR  11  -6.550  -3.651  -4.957
   55    HD2  TYR  11           2HD      TYR  11  -8.309  -2.245  -8.615
   56    HE1  TYR  11           1HE      TYR  11  -5.875  -5.753  -6.091
   57    HE2  TYR  11           2HE      TYR  11  -7.635  -4.344  -9.748
   58    HH   TYR  11           HH       TYR  11  -7.013  -6.571  -9.269
   59    HA   PRO  12           HA       PRO  12 -10.798  -0.799  -1.938
   60   1HB   PRO  12          2HB       PRO  12 -13.399  -1.681  -1.839
   61   2HB   PRO  12          1HB       PRO  12 -12.939  -0.061  -2.391
   62   1HG   PRO  12          2HG       PRO  12 -13.797  -2.426  -4.005
   63   2HG   PRO  12          1HG       PRO  12 -13.995  -0.699  -4.351
   64   1HD   PRO  12          2HD       PRO  12 -12.050  -2.365  -5.512
   65   2HD   PRO  12          1HD       PRO  12 -12.008  -0.589  -5.484
   66    H    LYS  13           H        LYS  13  -9.265  -2.666  -1.597
   67    HA   LYS  13           HA       LYS  13 -10.632  -4.895  -0.288
   68   1HB   LYS  13          2HB       LYS  13  -9.132  -6.530  -1.701
   69   2HB   LYS  13          1HB       LYS  13 -10.676  -5.987  -2.359
   70   1HG   LYS  13          2HG       LYS  13  -8.572  -4.084  -2.968
   71   2HG   LYS  13          1HG       LYS  13  -8.147  -5.695  -3.549
   72   1HD   LYS  13          2HD       LYS  13 -10.810  -4.348  -4.081
   73   2HD   LYS  13          1HD       LYS  13  -9.459  -4.348  -5.214
   74   1HE   LYS  13          2HE       LYS  13 -10.304  -6.986  -4.113
   75   2HE   LYS  13          1HE       LYS  13 -11.374  -6.227  -5.290
   76   1HZ   LYS  13          1HZ       LYS  13  -9.902  -6.507  -6.939
   77   2HZ   LYS  13          2HZ       LYS  13  -9.253  -7.715  -5.936
   78   3HZ   LYS  13          3HZ       LYS  13  -8.560  -6.163  -5.961
   79    H    CYS  14           H        CYS  14  -9.473  -4.202   1.563
   80    HA   CYS  14           HA       CYS  14  -6.523  -4.068   1.368
   81   1HB   CYS  14          2HB       CYS  14  -8.174  -3.696   3.870
   82   2HB   CYS  14          1HB       CYS  14  -6.558  -3.079   3.529
   83    H    ALA  15           H        ALA  15  -7.946  -6.641   1.062
   84    HA   ALA  15           HA       ALA  15  -6.658  -8.069   3.351
   85   1HB   ALA  15          1HB       ALA  15  -9.222  -8.905   1.962
   86   2HB   ALA  15          2HB       ALA  15  -9.162  -8.083   3.522
   87   3HB   ALA  15          3HB       ALA  15  -8.467  -9.694   3.348
   88    H    CYS  16           H        CYS  16  -5.010  -7.806   1.372
   89    HA   CYS  16           HA       CYS  16  -5.411 -10.086  -0.510
   90   1HB   CYS  16          2HB       CYS  16  -3.206  -8.055  -0.747
   91   2HB   CYS  16          1HB       CYS  16  -3.971  -9.018  -2.012
   92    H    THR  17           H        THR  17  -3.721 -11.605  -0.794
   93    HA   THR  17           HA       THR  17  -1.319 -11.504   0.860
   94    HB   THR  17           HB       THR  17  -2.824 -12.251   2.592
   95    HG1  THR  17           1HG      THR  17  -1.464 -13.747   3.094
   96   1HG2  THR  17          1HG2      THR  17  -4.519 -13.035   0.747
   97   2HG2  THR  17          2HG2      THR  17  -4.505 -13.842   2.315
   98   3HG2  THR  17          3HG2      THR  17  -3.707 -14.590   0.930
   99    H    MET  18           H        MET  18  -0.895 -11.655  -1.629
  100    HA   MET  18           HA       MET  18  -0.894 -14.536  -2.436
  101   1HB   MET  18          2HB       MET  18  -0.855 -12.024  -4.134
  102   2HB   MET  18          1HB       MET  18  -0.679 -13.659  -4.773
  103   1HG   MET  18          2HG       MET  18  -2.895 -14.175  -3.559
  104   2HG   MET  18          1HG       MET  18  -3.079 -12.427  -3.417
  105   1HE   MET  18          1HE       MET  18  -4.321 -11.018  -5.798
  106   2HE   MET  18          2HE       MET  18  -2.854 -11.040  -6.775
  107   3HE   MET  18          3HE       MET  18  -2.734 -10.903  -5.023
  108    H    GLU  19           H        GLU  19   0.993 -12.003  -3.967
  109    HA   GLU  19           HA       GLU  19   3.439 -13.558  -3.463
  110   1HB   GLU  19          2HB       GLU  19   2.999 -12.547  -5.692
  111   2HB   GLU  19          1HB       GLU  19   3.059 -10.945  -4.957
  112   1HG   GLU  19          2HG       GLU  19   5.233 -11.487  -5.956
  113   2HG   GLU  19          1HG       GLU  19   5.380 -11.399  -4.201
  114    H    TYR  20           H        TYR  20   5.377 -12.525  -2.547
  115    HA   TYR  20           HA       TYR  20   4.665 -10.775  -0.274
  116   1HB   TYR  20          2HB       TYR  20   6.295 -12.892  -0.342
  117   2HB   TYR  20          1HB       TYR  20   7.475 -11.657  -0.782
  118    HD1  TYR  20           1HD      TYR  20   7.981  -9.788   0.752
  119    HD2  TYR  20           2HD      TYR  20   5.291 -12.947   1.861
  120    HE1  TYR  20           1HE      TYR  20   8.138  -9.088   3.126
  121    HE2  TYR  20           2HE      TYR  20   5.448 -12.249   4.235
  122    HH   TYR  20           HH       TYR  20   6.359  -9.440   5.265
  123    H    ARG  21           H        ARG  21   4.905  -8.603  -0.434
  124    HA   ARG  21           HA       ARG  21   7.161  -7.493  -1.987
  125   1HB   ARG  21          2HB       ARG  21   4.313  -7.337  -2.807
  126   2HB   ARG  21          1HB       ARG  21   5.214  -5.823  -2.873
  127   1HG   ARG  21          2HG       ARG  21   6.674  -6.600  -4.494
  128   2HG   ARG  21          1HG       ARG  21   6.493  -8.283  -3.998
  129   1HD   ARG  21          2HD       ARG  21   4.521  -6.601  -5.562
  130   2HD   ARG  21          1HD       ARG  21   5.350  -8.063  -6.098
  131    HE   ARG  21           HE       ARG  21   3.947  -8.935  -3.898
  132   1HH1  ARG  21          1HH2      ARG  21   3.287  -7.484  -6.943
  133   2HH1  ARG  21          2HH2      ARG  21   1.600  -7.881  -6.920
  134   1HH2  ARG  21          1HH1      ARG  21   1.704  -9.295  -3.756
  135   2HH2  ARG  21          2HH1      ARG  21   0.705  -8.905  -5.116
  136    HA   PRO  22           HA       PRO  22   6.396  -5.169   1.843
  137   1HB   PRO  22          2HB       PRO  22   9.071  -4.781   2.356
  138   2HB   PRO  22          1HB       PRO  22   8.175  -6.224   2.862
  139   1HG   PRO  22          2HG       PRO  22  10.144  -5.919   0.642
  140   2HG   PRO  22          1HG       PRO  22   9.719  -7.364   1.574
  141   1HD   PRO  22          2HD       PRO  22   8.817  -6.757  -1.037
  142   2HD   PRO  22          1HD       PRO  22   8.145  -8.004   0.035
  143    H    LEU  23           H        LEU  23   5.684  -3.158   1.165
  144    HA   LEU  23           HA       LEU  23   7.609  -1.444  -0.358
  145   1HB   LEU  23          2HB       LEU  23   4.667  -0.854  -0.090
  146   2HB   LEU  23          1HB       LEU  23   5.782  -0.348  -1.360
  147    HG   LEU  23           HG       LEU  23   4.736  -3.155  -0.880
  148   1HD1  LEU  23          1HD1      LEU  23   3.484  -2.869  -2.850
  149   2HD1  LEU  23          2HD1      LEU  23   4.470  -1.509  -3.388
  150   3HD1  LEU  23          3HD1      LEU  23   3.330  -1.299  -2.060
  151   1HD2  LEU  23          1HD2      LEU  23   6.575  -3.893  -1.954
  152   2HD2  LEU  23          2HD2      LEU  23   7.171  -2.241  -2.120
  153   3HD2  LEU  23          3HD2      LEU  23   6.111  -2.924  -3.354
  154    H    CYS  24           H        CYS  24   8.410   0.312   0.718
  155    HA   CYS  24           HA       CYS  24   7.349   0.886   3.414
  156   1HB   CYS  24          2HB       CYS  24   9.866   0.786   2.693
  157   2HB   CYS  24          1HB       CYS  24   9.576   2.416   2.087
  158    H    GLY  25           H        GLY  25   5.293   1.784   2.708
  159   1HA   GLY  25          2HA       GLY  25   4.806   3.780   0.850
  160   2HA   GLY  25          1HA       GLY  25   3.949   3.697   2.389
  161    H    SER  26           H        SER  26   4.864   6.097   0.891
  162    HA   SER  26           HA       SER  26   7.162   7.325   1.912
  163   1HB   SER  26          2HB       SER  26   4.462   8.401   1.151
  164   2HB   SER  26          1HB       SER  26   5.699   9.480   1.792
  165    HG   SER  26           HG       SER  26   7.088   8.450   0.123
  166    H    ASP  27           H        ASP  27   4.318   6.421   3.654
  167    HA   ASP  27           HA       ASP  27   4.828   8.289   5.873
  168   1HB   ASP  27          2HB       ASP  27   2.878   7.265   6.906
  169   2HB   ASP  27          1HB       ASP  27   2.511   7.601   5.215
  170    H    ASN  28           H        ASN  28   6.809   6.174   5.035
  171    HA   ASN  28           HA       ASN  28   8.224   4.608   6.051
  172   1HB   ASN  28          2HB       ASN  28   8.163   6.710   7.671
  173   2HB   ASN  28          1HB       ASN  28   7.331   5.578   8.742
  174   1HD2  ASN  28          1HD2      ASN  28   8.653   4.173   9.925
  175   2HD2  ASN  28          2HD2      ASN  28  10.294   3.885   9.599
  176    H    LYS  29           H        LYS  29   5.621   3.659   5.417
  177    HA   LYS  29           HA       LYS  29   5.081   1.845   7.737
  178   1HB   LYS  29          2HB       LYS  29   3.194   3.350   7.057
  179   2HB   LYS  29          1HB       LYS  29   3.193   2.561   5.480
  180   1HG   LYS  29          2HG       LYS  29   1.756   1.074   6.399
  181   2HG   LYS  29          1HG       LYS  29   3.163   0.424   7.240
  182   1HD   LYS  29          2HD       LYS  29   2.751   1.892   9.147
  183   2HD   LYS  29          1HD       LYS  29   1.402   2.653   8.300
  184   1HE   LYS  29          2HE       LYS  29  -0.009   0.988   8.872
  185   2HE   LYS  29          1HE       LYS  29   1.141  -0.251   8.365
  186   1HZ   LYS  29          1HZ       LYS  29   0.736   0.948  10.994
  187   2HZ   LYS  29          2HZ       LYS  29   2.334   0.566  10.561
  188   3HZ   LYS  29          3HZ       LYS  29   1.144  -0.645  10.581
  189    H    THR  30           H        THR  30   4.847  -0.394   7.301
  190    HA   THR  30           HA       THR  30   6.061  -1.237   4.712
  191    HB   THR  30           HB       THR  30   5.730  -2.713   7.341
  192    HG1  THR  30           1HG      THR  30   7.477  -1.598   7.684
  193   1HG2  THR  30          1HG2      THR  30   5.570  -4.270   5.463
  194   2HG2  THR  30          2HG2      THR  30   7.136  -4.455   6.253
  195   3HG2  THR  30          3HG2      THR  30   7.016  -3.571   4.732
  196    H    TYR  31           H        TYR  31   4.529  -1.743   3.213
  197    HA   TYR  31           HA       TYR  31   1.920  -2.824   4.070
  198   1HB   TYR  31          2HB       TYR  31   3.040  -1.848   1.437
  199   2HB   TYR  31          1HB       TYR  31   1.470  -2.633   1.557
  200    HD1  TYR  31           1HD      TYR  31   3.468   0.137   3.084
  201    HD2  TYR  31           2HD      TYR  31  -0.431  -1.351   2.076
  202    HE1  TYR  31           1HE      TYR  31   2.458   2.281   3.810
  203    HE2  TYR  31           2HE      TYR  31  -1.441   0.790   2.808
  204    HH   TYR  31           HH       TYR  31  -1.037   2.871   3.493
  205    H    GLY  32           H        GLY  32   1.177  -4.892   3.397
  206   1HA   GLY  32          2HA       GLY  32   3.190  -6.934   3.203
  207   2HA   GLY  32          1HA       GLY  32   1.458  -7.187   2.983
  208    H    ASN  33           H        ASN  33   1.392  -5.118   0.793
  209    HA   ASN  33           HA       ASN  33   3.167  -5.894  -1.303
  210   1HB   ASN  33          2HB       ASN  33   1.738  -7.328  -2.643
  211   2HB   ASN  33          1HB       ASN  33   1.939  -8.056  -1.050
  212   1HD2  ASN  33          1HD2      ASN  33  -0.297  -8.826  -2.517
  213   2HD2  ASN  33          2HD2      ASN  33  -1.697  -8.146  -1.843
  214    H    LYS  34           H        LYS  34   2.222  -5.197  -3.488
  215    HA   LYS  34           HA       LYS  34   1.370  -2.503  -3.318
  216   1HB   LYS  34          2HB       LYS  34   2.480  -3.860  -5.278
  217   2HB   LYS  34          1HB       LYS  34   0.809  -4.157  -5.760
  218   1HG   LYS  34          2HG       LYS  34   0.760  -1.467  -5.225
  219   2HG   LYS  34          1HG       LYS  34   2.384  -1.671  -5.885
  220   1HD   LYS  34          2HD       LYS  34   1.114  -1.333  -7.822
  221   2HD   LYS  34          1HD       LYS  34   1.170  -3.093  -7.723
  222   1HE   LYS  34          2HE       LYS  34  -1.037  -1.857  -6.206
  223   2HE   LYS  34          1HE       LYS  34  -1.139  -1.638  -7.953
  224   1HZ   LYS  34          1HZ       LYS  34  -1.772  -3.910  -6.499
  225   2HZ   LYS  34          2HZ       LYS  34  -0.352  -4.283  -7.356
  226   3HZ   LYS  34          3HZ       LYS  34  -1.733  -3.744  -8.186
  227    H    CYS  35           H        CYS  35  -0.473  -5.384  -3.020
  228    HA   CYS  35           HA       CYS  35  -2.971  -4.291  -4.038
  229   1HB   CYS  35          2HB       CYS  35  -2.432  -6.760  -3.789
  230   2HB   CYS  35          1HB       CYS  35  -2.602  -6.540  -2.049
  231    H    ASN  36           H        ASN  36  -1.303  -4.449  -0.952
  232    HA   ASN  36           HA       ASN  36  -3.534  -3.282   0.537
  233   1HB   ASN  36          2HB       ASN  36  -1.290  -4.734   1.240
  234   2HB   ASN  36          1HB       ASN  36  -0.844  -3.100   1.719
  235   1HD2  ASN  36          1HD2      ASN  36  -3.823  -5.142   1.860
  236   2HD2  ASN  36          2HD2      ASN  36  -4.205  -4.729   3.461
  237    H    PHE  37           H        PHE  37  -0.830  -2.242  -1.334
  238    HA   PHE  37           HA       PHE  37  -0.684   0.465  -0.257
  239   1HB   PHE  37          2HB       PHE  37   1.205  -0.719  -1.462
  240   2HB   PHE  37          1HB       PHE  37   0.274  -0.563  -2.951
  241    HD1  PHE  37           1HD      PHE  37  -0.203   1.677  -3.909
  242    HD2  PHE  37           2HD      PHE  37   2.293   1.186  -0.446
  243    HE1  PHE  37           1HE      PHE  37   0.658   3.983  -4.202
  244    HE2  PHE  37           2HE      PHE  37   3.153   3.495  -0.739
  245    HZ   PHE  37           HZ       PHE  37   2.335   4.892  -2.618
  246    H    CYS  38           H        CYS  38  -2.369  -1.200  -2.862
  247    HA   CYS  38           HA       CYS  38  -3.433   1.201  -4.093
  248   1HB   CYS  38          2HB       CYS  38  -3.843  -1.736  -4.340
  249   2HB   CYS  38          1HB       CYS  38  -5.207  -0.722  -4.811
  250    H    CYS  39           H        CYS  39  -4.279  -0.832  -1.394
  251    HA   CYS  39           HA       CYS  39  -7.024   0.081  -1.150
  252   1HB   CYS  39          2HB       CYS  39  -5.431  -1.890   0.064
  253   2HB   CYS  39          1HB       CYS  39  -5.827  -0.758   1.358
  254    H    ALA  40           H        ALA  40  -3.938   0.946   0.369
  255    HA   ALA  40           HA       ALA  40  -5.023   2.955   2.114
  256   1HB   ALA  40          1HB       ALA  40  -2.513   1.839   1.688
  257   2HB   ALA  40          2HB       ALA  40  -2.866   3.177   2.781
  258   3HB   ALA  40          3HB       ALA  40  -2.315   3.502   1.138
  259    H    VAL  41           H        VAL  41  -4.190   2.858  -1.253
  260    HA   VAL  41           HA       VAL  41  -4.107   5.739  -1.639
  261    HB   VAL  41           HB       VAL  41  -4.321   3.372  -3.506
  262   1HG1  VAL  41          1HG1      VAL  41  -4.459   6.330  -4.121
  263   2HG1  VAL  41          2HG1      VAL  41  -5.552   5.055  -4.660
  264   3HG1  VAL  41          3HG1      VAL  41  -3.916   5.151  -5.315
  265   1HG2  VAL  41          1HG2      VAL  41  -2.158   5.374  -3.731
  266   2HG2  VAL  41          2HG2      VAL  41  -2.068   3.612  -3.742
  267   3HG2  VAL  41          3HG2      VAL  41  -2.177   4.480  -2.211
  268    H    VAL  42           H        VAL  42  -6.588   3.233  -1.861
  269    HA   VAL  42           HA       VAL  42  -8.560   5.135  -2.934
  270    HB   VAL  42           HB       VAL  42  -8.696   2.226  -2.117
  271   1HG1  VAL  42          1HG1      VAL  42 -10.911   4.133  -2.893
  272   2HG1  VAL  42          2HG1      VAL  42 -10.844   3.054  -1.501
  273   3HG1  VAL  42          3HG1      VAL  42 -11.055   2.390  -3.120
  274   1HG2  VAL  42          1HG2      VAL  42  -8.282   1.871  -4.303
  275   2HG2  VAL  42          2HG2      VAL  42  -8.016   3.605  -4.490
  276   3HG2  VAL  42          3HG2      VAL  42  -9.620   2.925  -4.763
  277    H    GLU  43           H        GLU  43  -7.371   4.306   0.140
  278    HA   GLU  43           HA       GLU  43  -9.902   5.223   1.435
  279   1HB   GLU  43          2HB       GLU  43  -9.200   4.122   3.422
  280   2HB   GLU  43          1HB       GLU  43  -8.817   2.997   2.120
  281   1HG   GLU  43          2HG       GLU  43  -6.702   2.972   2.896
  282   2HG   GLU  43          1HG       GLU  43  -6.553   4.634   2.322
  283    H    SER  44           H        SER  44  -6.805   6.245   0.541
  284    HA   SER  44           HA       SER  44  -6.754   8.325   2.681
  285   1HB   SER  44          2HB       SER  44  -4.440   8.489   2.366
  286   2HB   SER  44          1HB       SER  44  -4.723   6.773   2.083
  287    HG   SER  44           HG       SER  44  -3.873   7.145   0.201
  288    H    ASN  45           H        ASN  45  -7.732   7.862  -0.491
  289    HA   ASN  45           HA       ASN  45  -8.602   9.445  -2.008
  290   1HB   ASN  45          2HB       ASN  45  -8.819  10.849   0.189
  291   2HB   ASN  45          1HB       ASN  45  -7.380  11.678  -0.407
  292   1HD2  ASN  45          1HD2      ASN  45 -10.759  10.875  -1.279
  293   2HD2  ASN  45          2HD2      ASN  45 -10.939  12.142  -2.394
  294    H    GLY  46           H        GLY  46  -5.702   8.406  -1.765
  295   1HA   GLY  46          2HA       GLY  46  -3.948   8.514  -3.364
  296   2HA   GLY  46          1HA       GLY  46  -4.708   9.949  -4.055
  297    H    THR  47           H        THR  47  -4.474  10.211  -0.698
  298    HA   THR  47           HA       THR  47  -2.427  12.287  -0.945
  299    HB   THR  47           HB       THR  47  -4.421  12.431   0.606
  300    HG1  THR  47           1HG      THR  47  -3.216  13.753   1.678
  301   1HG2  THR  47          1HG2      THR  47  -4.292  10.056   1.360
  302   2HG2  THR  47          2HG2      THR  47  -4.336  11.197   2.704
  303   3HG2  THR  47          3HG2      THR  47  -2.811  10.446   2.233
  304    H    LEU  48           H        LEU  48  -2.612   8.968   0.179
  305    HA   LEU  48           HA       LEU  48   0.003   9.002   1.470
  306   1HB   LEU  48          2HB       LEU  48  -1.669   7.375   2.187
  307   2HB   LEU  48          1HB       LEU  48  -1.769   6.715   0.554
  308    HG   LEU  48           HG       LEU  48   0.950   6.817   1.728
  309   1HD1  LEU  48          1HD1      LEU  48  -0.905   6.024   3.496
  310   2HD1  LEU  48          2HD1      LEU  48   0.670   5.240   3.383
  311   3HD1  LEU  48          3HD1      LEU  48  -0.734   4.515   2.599
  312   1HD2  LEU  48          1HD2      LEU  48   1.231   4.837   0.465
  313   2HD2  LEU  48          2HD2      LEU  48   0.127   5.803  -0.516
  314   3HD2  LEU  48          3HD2      LEU  48  -0.497   4.484   0.474
  315    H    THR  49           H        THR  49   1.921   7.928   0.602
  316    HA   THR  49           HA       THR  49   1.830   7.416  -2.328
  317    HB   THR  49           HB       THR  49   3.877   8.757  -2.650
  318    HG1  THR  49           1HG      THR  49   4.513  10.100  -0.900
  319   1HG2  THR  49          1HG2      THR  49   2.717  10.714  -2.884
  320   2HG2  THR  49          2HG2      THR  49   2.086  10.658  -1.238
  321   3HG2  THR  49          3HG2      THR  49   1.349   9.670  -2.499
  322    H    LEU  50           H        LEU  50   4.632   7.106  -2.584
  323    HA   LEU  50           HA       LEU  50   5.102   4.636  -0.971
  324   1HB   LEU  50          2HB       LEU  50   4.723   4.124  -3.321
  325   2HB   LEU  50          1HB       LEU  50   5.882   5.354  -3.815
  326    HG   LEU  50           HG       LEU  50   7.529   3.941  -2.290
  327   1HD1  LEU  50          1HD1      LEU  50   6.970   1.495  -2.575
  328   2HD1  LEU  50          2HD1      LEU  50   5.355   1.986  -3.087
  329   3HD1  LEU  50          3HD1      LEU  50   5.910   2.347  -1.453
  330   1HD2  LEU  50          1HD2      LEU  50   8.175   4.130  -4.509
  331   2HD2  LEU  50          2HD2      LEU  50   6.620   3.565  -5.117
  332   3HD2  LEU  50          3HD2      LEU  50   7.780   2.412  -4.457
  333    H    SER  51           H        SER  51   7.314   4.286  -0.291
  334    HA   SER  51           HA       SER  51   8.977   6.773  -0.360
  335   1HB   SER  51          2HB       SER  51   7.992   5.654   1.880
  336   2HB   SER  51          1HB       SER  51   9.465   4.703   1.725
  337    HG   SER  51           HG       SER  51  10.624   6.426   2.137
  338    H    HIS  52           H        HIS  52   9.133   3.198  -0.339
  339    HA   HIS  52           HA       HIS  52  11.095   3.047  -2.373
  340   1HB   HIS  52          2HB       HIS  52  13.129   2.568  -1.122
  341   2HB   HIS  52          1HB       HIS  52  12.534   4.161  -0.656
  342    HD1  HIS  52           1HD      HIS  52  13.180   0.750   0.666
  343    HD2  HIS  52           2HD      HIS  52  11.290   4.231   1.966
  344    HE1  HIS  52           1HE      HIS  52  12.811   0.479   3.157
  345    H    PHE  53           H        PHE  53  10.221   1.147  -3.088
  346    HA   PHE  53           HA       PHE  53   8.976  -0.894  -1.717
  347   1HB   PHE  53          2HB       PHE  53  10.937  -1.226  -4.009
  348   2HB   PHE  53          1HB       PHE  53   9.728  -2.404  -3.519
  349    HD1  PHE  53           1HD      PHE  53  10.186  -0.625  -6.178
  350    HD2  PHE  53           2HD      PHE  53   7.456  -0.545  -2.862
  351    HE1  PHE  53           1HE      PHE  53   8.498   0.510  -7.596
  352    HE2  PHE  53           2HE      PHE  53   5.769   0.592  -4.280
  353    HZ   PHE  53           HZ       PHE  53   6.289   1.120  -6.647
  354    H    GLY  54           H        GLY  54   9.766  -1.665   0.232
  355   1HA   GLY  54          2HA       GLY  54  11.694  -3.603   0.486
  356   2HA   GLY  54          1HA       GLY  54  12.630  -2.114   0.632
  357    H    LYS  55           H        LYS  55  11.994  -4.212   2.684
  358    HA   LYS  55           HA       LYS  55  10.071  -3.487   4.562
  359   1HB   LYS  55          2HB       LYS  55  12.343  -5.132   4.551
  360   2HB   LYS  55          1HB       LYS  55  12.603  -4.017   5.893
  361   1HG   LYS  55          2HG       LYS  55  10.585  -4.655   6.962
  362   2HG   LYS  55          1HG       LYS  55   9.965  -5.436   5.506
  363   1HD   LYS  55          2HD       LYS  55  11.944  -7.041   5.690
  364   2HD   LYS  55          1HD       LYS  55  12.210  -6.377   7.302
  365   1HE   LYS  55          2HE       LYS  55  10.800  -8.106   7.870
  366   2HE   LYS  55          1HE       LYS  55   9.586  -6.879   7.512
  367   1HZ   LYS  55          1HZ       LYS  55   9.625  -9.280   6.377
  368   2HZ   LYS  55          2HZ       LYS  55  10.547  -8.413   5.245
  369   3HZ   LYS  55          3HZ       LYS  55   8.971  -7.906   5.627
  370    H    CYS  56           H        CYS  56   9.776  -1.756   5.924
  371    HA   CYS  56           HA       CYS  56  11.367   0.623   5.555
  372   1HB   CYS  56          2HB       CYS  56   9.305  -0.081   7.665
  373   2HB   CYS  56          1HB       CYS  56   9.989   1.529   7.434
  Start of MODEL    8
    1   1H    ALA   3          1HT       ALA   3   9.043   7.464  -9.331
    2   2H    ALA   3          2HT       ALA   3  10.038   6.931 -10.602
    3   3H    ALA   3          3HT       ALA   3  10.692   7.178  -9.053
    4    HA   ALA   3           HA       ALA   3   9.436   4.866 -10.131
    5   1HB   ALA   3          1HB       ALA   3  11.450   4.467  -9.049
    6   2HB   ALA   3          2HB       ALA   3  10.317   4.088  -7.753
    7   3HB   ALA   3          3HB       ALA   3  11.126   5.654  -7.787
    8    H    VAL   4           H        VAL   4   7.280   6.491  -9.755
    9    HA   VAL   4           HA       VAL   4   5.977   5.274  -7.357
   10    HB   VAL   4           HB       VAL   4   4.668   7.377  -7.107
   11   1HG1  VAL   4          1HG1      VAL   4   7.498   7.008  -6.599
   12   2HG1  VAL   4          2HG1      VAL   4   6.285   7.805  -5.596
   13   3HG1  VAL   4          3HG1      VAL   4   7.134   8.717  -6.845
   14   1HG2  VAL   4          1HG2      VAL   4   5.411   7.894  -9.668
   15   2HG2  VAL   4          2HG2      VAL   4   6.592   8.876  -8.801
   16   3HG2  VAL   4          3HG2      VAL   4   4.867   9.145  -8.550
   17    H    SER   5           H        SER   5   5.486   3.732  -9.279
   18    HA   SER   5           HA       SER   5   3.264   4.768 -10.968
   19   1HB   SER   5          2HB       SER   5   3.564   2.569 -12.175
   20   2HB   SER   5          1HB       SER   5   4.976   3.621 -12.222
   21    HG   SER   5           HG       SER   5   5.569   1.510 -11.648
   22    H    VAL   6           H        VAL   6   1.464   4.686  -9.620
   23    HA   VAL   6           HA       VAL   6   0.573   1.962  -8.847
   24    HB   VAL   6           HB       VAL   6   1.591   2.832  -6.809
   25   1HG1  VAL   6          1HG1      VAL   6   0.356   5.306  -7.769
   26   2HG1  VAL   6          2HG1      VAL   6   1.707   5.087  -6.658
   27   3HG1  VAL   6          3HG1      VAL   6   0.050   5.015  -6.058
   28   1HG2  VAL   6          1HG2      VAL   6  -0.143   2.129  -5.526
   29   2HG2  VAL   6          2HG2      VAL   6  -1.026   1.959  -7.043
   30   3HG2  VAL   6          3HG2      VAL   6  -1.191   3.432  -6.087
   31    H    ASP   7           H        ASP   7  -1.658   1.722  -9.051
   32    HA   ASP   7           HA       ASP   7  -3.301   4.161  -9.452
   33   1HB   ASP   7          2HB       ASP   7  -4.339   2.878 -11.473
   34   2HB   ASP   7          1HB       ASP   7  -2.817   3.736 -11.713
   35    H    CYS   8           H        CYS   8  -5.143   3.923  -8.289
   36    HA   CYS   8           HA       CYS   8  -6.212   1.161  -7.904
   37   1HB   CYS   8          2HB       CYS   8  -6.514   3.197  -5.723
   38   2HB   CYS   8          1HB       CYS   8  -6.478   1.438  -5.609
   39    H    SER   9           H        SER   9  -7.011   3.133  -9.843
   40    HA   SER   9           HA       SER   9  -9.147   4.798  -9.212
   41   1HB   SER   9          2HB       SER   9  -8.103   4.345 -11.515
   42   2HB   SER   9          1HB       SER   9  -9.193   2.965 -11.617
   43    HG   SER   9           HG       SER   9  -9.866   5.705 -11.284
   44    H    GLU  10           H        GLU  10 -10.335   3.885  -7.489
   45    HA   GLU  10           HA       GLU  10 -12.171   2.726  -6.584
   46   1HB   GLU  10          2HB       GLU  10 -12.592   2.615  -9.517
   47   2HB   GLU  10          1HB       GLU  10 -13.439   1.382  -8.585
   48   1HG   GLU  10          2HG       GLU  10 -13.752   3.792  -7.147
   49   2HG   GLU  10          1HG       GLU  10 -14.049   4.193  -8.839
   50    H    TYR  11           H        TYR  11 -10.077   1.426  -5.903
   51    HA   TYR  11           HA       TYR  11 -10.651  -1.416  -6.545
   52   1HB   TYR  11          2HB       TYR  11  -8.798  -0.605  -8.048
   53   2HB   TYR  11          1HB       TYR  11  -7.843  -0.281  -6.601
   54    HD1  TYR  11           1HD      TYR  11  -9.674  -2.982  -8.416
   55    HD2  TYR  11           2HD      TYR  11  -6.664  -2.015  -5.510
   56    HE1  TYR  11           1HE      TYR  11  -8.994  -5.365  -8.328
   57    HE2  TYR  11           2HE      TYR  11  -5.981  -4.398  -5.424
   58    HH   TYR  11           HH       TYR  11  -6.122  -6.393  -6.643
   59    HA   PRO  12           HA       PRO  12  -9.754  -0.538  -2.066
   60   1HB   PRO  12          2HB       PRO  12 -12.235  -1.303  -1.147
   61   2HB   PRO  12          1HB       PRO  12 -11.825   0.363  -1.594
   62   1HG   PRO  12          2HG       PRO  12 -13.464  -1.634  -3.090
   63   2HG   PRO  12          1HG       PRO  12 -13.551   0.136  -3.115
   64   1HD   PRO  12          2HD       PRO  12 -12.339  -1.471  -5.091
   65   2HD   PRO  12          1HD       PRO  12 -12.107   0.280  -4.894
   66    H    LYS  13           H        LYS  13  -8.712  -2.243  -1.108
   67    HA   LYS  13           HA       LYS  13  -9.940  -4.835  -0.781
   68   1HB   LYS  13          2HB       LYS  13  -8.451  -4.360  -3.212
   69   2HB   LYS  13          1HB       LYS  13  -7.636  -5.580  -2.231
   70   1HG   LYS  13          2HG       LYS  13  -9.382  -7.066  -2.381
   71   2HG   LYS  13          1HG       LYS  13 -10.595  -5.790  -2.483
   72   1HD   LYS  13          2HD       LYS  13  -9.972  -5.318  -4.790
   73   2HD   LYS  13          1HD       LYS  13  -8.653  -6.487  -4.705
   74   1HE   LYS  13          2HE       LYS  13 -11.540  -7.250  -4.219
   75   2HE   LYS  13          1HE       LYS  13 -10.794  -7.322  -5.814
   76   1HZ   LYS  13          1HZ       LYS  13 -10.530  -9.445  -4.897
   77   2HZ   LYS  13          2HZ       LYS  13 -10.058  -8.838  -3.381
   78   3HZ   LYS  13          3HZ       LYS  13  -9.013  -8.707  -4.715
   79    H    CYS  14           H        CYS  14  -9.282  -4.698   1.362
   80    HA   CYS  14           HA       CYS  14  -6.343  -4.469   1.849
   81   1HB   CYS  14          2HB       CYS  14  -8.481  -4.203   3.960
   82   2HB   CYS  14          1HB       CYS  14  -6.830  -3.582   3.983
   83    H    ALA  15           H        ALA  15  -7.297  -6.924   0.942
   84    HA   ALA  15           HA       ALA  15  -6.783  -8.604   3.330
   85   1HB   ALA  15          1HB       ALA  15  -9.188  -8.626   3.265
   86   2HB   ALA  15          2HB       ALA  15  -8.649 -10.159   2.579
   87   3HB   ALA  15          3HB       ALA  15  -9.198  -8.862   1.517
   88    H    CYS  16           H        CYS  16  -4.849  -8.204   1.538
   89    HA   CYS  16           HA       CYS  16  -4.938 -10.606  -0.246
   90   1HB   CYS  16          2HB       CYS  16  -3.419  -8.008  -0.632
   91   2HB   CYS  16          1HB       CYS  16  -3.312  -9.413  -1.692
   92    H    THR  17           H        THR  17  -2.999 -11.863  -0.349
   93    HA   THR  17           HA       THR  17  -0.692 -11.144   1.299
   94    HB   THR  17           HB       THR  17  -2.328 -12.019   2.981
   95    HG1  THR  17           1HG      THR  17  -0.172 -12.339   3.404
   96   1HG2  THR  17          1HG2      THR  17  -2.062 -14.801   2.163
   97   2HG2  THR  17          2HG2      THR  17  -2.921 -13.843   0.957
   98   3HG2  THR  17          3HG2      THR  17  -3.510 -13.903   2.618
   99    H    MET  18           H        MET  18  -1.439 -12.022  -1.492
  100    HA   MET  18           HA       MET  18   0.130 -14.552  -1.635
  101   1HB   MET  18          2HB       MET  18  -1.341 -13.337  -3.960
  102   2HB   MET  18          1HB       MET  18  -0.952 -15.031  -3.660
  103   1HG   MET  18          2HG       MET  18  -2.615 -15.214  -1.956
  104   2HG   MET  18          1HG       MET  18  -2.830 -13.466  -1.881
  105   1HE   MET  18          1HE       MET  18  -5.533 -13.655  -2.201
  106   2HE   MET  18          2HE       MET  18  -5.803 -12.929  -3.784
  107   3HE   MET  18          3HE       MET  18  -4.504 -12.330  -2.758
  108    H    GLU  19           H        GLU  19  -0.253 -11.553  -3.534
  109    HA   GLU  19           HA       GLU  19   2.249 -11.796  -4.889
  110   1HB   GLU  19          2HB       GLU  19   0.187 -10.187  -5.286
  111   2HB   GLU  19          1HB       GLU  19   1.105  -9.100  -4.242
  112   1HG   GLU  19          2HG       GLU  19   2.110  -8.494  -6.201
  113   2HG   GLU  19          1HG       GLU  19   3.074  -9.944  -5.917
  114    H    TYR  20           H        TYR  20   4.305 -10.963  -4.376
  115    HA   TYR  20           HA       TYR  20   4.622 -10.115  -1.527
  116   1HB   TYR  20          2HB       TYR  20   5.835 -12.203  -2.639
  117   2HB   TYR  20          1HB       TYR  20   6.944 -10.954  -3.205
  118    HD1  TYR  20           1HD      TYR  20   6.069 -13.061  -0.464
  119    HD2  TYR  20           2HD      TYR  20   7.797  -9.249  -1.428
  120    HE1  TYR  20           1HE      TYR  20   7.136 -12.979   1.772
  121    HE2  TYR  20           2HE      TYR  20   8.863  -9.168   0.810
  122    HH   TYR  20           HH       TYR  20   9.097 -10.173   2.772
  123    H    ARG  21           H        ARG  21   4.882  -7.970  -1.326
  124    HA   ARG  21           HA       ARG  21   6.914  -6.550  -2.841
  125   1HB   ARG  21          2HB       ARG  21   4.196  -6.540  -3.820
  126   2HB   ARG  21          1HB       ARG  21   4.653  -4.917  -3.303
  127   1HG   ARG  21          2HG       ARG  21   6.022  -4.658  -5.074
  128   2HG   ARG  21          1HG       ARG  21   6.822  -6.196  -4.749
  129   1HD   ARG  21          2HD       ARG  21   4.097  -6.057  -6.044
  130   2HD   ARG  21          1HD       ARG  21   5.584  -6.000  -6.990
  131    HE   ARG  21           HE       ARG  21   4.705  -8.321  -5.336
  132   1HH1  ARG  21          1HH2      ARG  21   7.647  -7.313  -6.281
  133   2HH1  ARG  21          2HH2      ARG  21   7.963  -8.571  -7.429
  134   1HH2  ARG  21          1HH1      ARG  21   4.704  -9.755  -7.428
  135   2HH2  ARG  21          2HH1      ARG  21   6.297  -9.954  -8.077
  136    HA   PRO  22           HA       PRO  22   6.061  -4.853   1.312
  137   1HB   PRO  22          2HB       PRO  22   8.719  -4.678   1.993
  138   2HB   PRO  22          1HB       PRO  22   7.741  -6.135   2.235
  139   1HG   PRO  22          2HG       PRO  22   9.825  -5.594   0.168
  140   2HG   PRO  22          1HG       PRO  22   9.305  -7.141   0.861
  141   1HD   PRO  22          2HD       PRO  22   8.548  -6.131  -1.668
  142   2HD   PRO  22          1HD       PRO  22   7.772  -7.479  -0.811
  143    H    LEU  23           H        LEU  23   5.374  -2.814   0.396
  144    HA   LEU  23           HA       LEU  23   7.516  -0.999  -0.582
  145   1HB   LEU  23          2HB       LEU  23   4.576  -0.334  -0.450
  146   2HB   LEU  23          1HB       LEU  23   5.802   0.348  -1.522
  147    HG   LEU  23           HG       LEU  23   4.583  -2.429  -1.610
  148   1HD1  LEU  23          1HD1      LEU  23   4.042   0.039  -2.916
  149   2HD1  LEU  23          2HD1      LEU  23   3.314  -1.534  -3.237
  150   3HD1  LEU  23          3HD1      LEU  23   4.760  -1.036  -4.116
  151   1HD2  LEU  23          1HD2      LEU  23   6.388  -1.973  -3.778
  152   2HD2  LEU  23          2HD2      LEU  23   6.481  -3.218  -2.532
  153   3HD2  LEU  23          3HD2      LEU  23   7.261  -1.657  -2.280
  154    H    CYS  24           H        CYS  24   8.253   0.689   0.633
  155    HA   CYS  24           HA       CYS  24   7.116   1.012   3.346
  156   1HB   CYS  24          2HB       CYS  24   9.640   1.842   1.963
  157   2HB   CYS  24          1HB       CYS  24   9.079   2.825   3.316
  158    H    GLY  25           H        GLY  25   5.086   1.951   2.613
  159   1HA   GLY  25          2HA       GLY  25   4.682   4.066   0.872
  160   2HA   GLY  25          1HA       GLY  25   3.714   3.837   2.325
  161    H    SER  26           H        SER  26   4.560   6.345   1.105
  162    HA   SER  26           HA       SER  26   6.717   7.654   2.331
  163   1HB   SER  26          2HB       SER  26   5.086   8.563   0.584
  164   2HB   SER  26          1HB       SER  26   4.017   8.945   1.930
  165    HG   SER  26           HG       SER  26   5.804  10.498   1.068
  166    H    ASP  27           H        ASP  27   3.844   6.454   3.827
  167    HA   ASP  27           HA       ASP  27   4.063   8.242   6.155
  168   1HB   ASP  27          2HB       ASP  27   2.178   6.902   7.043
  169   2HB   ASP  27          1HB       ASP  27   1.844   7.490   5.415
  170    H    ASN  28           H        ASN  28   6.236   6.267   5.333
  171    HA   ASN  28           HA       ASN  28   7.742   4.835   6.416
  172   1HB   ASN  28          2HB       ASN  28   7.609   6.732   8.092
  173   2HB   ASN  28          1HB       ASN  28   6.392   5.789   8.954
  174   1HD2  ASN  28          1HD2      ASN  28   9.762   5.485   7.701
  175   2HD2  ASN  28          2HD2      ASN  28  10.282   4.440   8.933
  176    H    LYS  29           H        LYS  29   5.185   3.766   5.550
  177    HA   LYS  29           HA       LYS  29   4.783   1.659   7.640
  178   1HB   LYS  29          2HB       LYS  29   2.858   3.302   6.644
  179   2HB   LYS  29          1HB       LYS  29   2.745   1.953   5.513
  180   1HG   LYS  29          2HG       LYS  29   2.869   0.526   7.758
  181   2HG   LYS  29          1HG       LYS  29   2.215   2.010   8.455
  182   1HD   LYS  29          2HD       LYS  29   0.258   1.906   7.170
  183   2HD   LYS  29          1HD       LYS  29   0.991   0.843   5.967
  184   1HE   LYS  29          2HE       LYS  29   0.138  -0.925   7.066
  185   2HE   LYS  29          1HE       LYS  29   1.151  -0.516   8.450
  186   1HZ   LYS  29          1HZ       LYS  29  -1.524  -0.529   8.492
  187   2HZ   LYS  29          2HZ       LYS  29  -1.221   1.108   8.150
  188   3HZ   LYS  29          3HZ       LYS  29  -0.561   0.392   9.542
  189    H    THR  30           H        THR  30   4.610  -0.539   6.879
  190    HA   THR  30           HA       THR  30   5.784  -0.915   4.151
  191    HB   THR  30           HB       THR  30   6.043  -2.627   6.642
  192    HG1  THR  30           1HG      THR  30   7.938  -1.731   6.793
  193   1HG2  THR  30          1HG2      THR  30   7.374  -4.143   5.300
  194   2HG2  THR  30          2HG2      THR  30   7.220  -3.095   3.889
  195   3HG2  THR  30          3HG2      THR  30   5.807  -3.945   4.516
  196    H    TYR  31           H        TYR  31   4.179  -1.548   2.785
  197    HA   TYR  31           HA       TYR  31   1.876  -3.057   3.824
  198   1HB   TYR  31          2HB       TYR  31   2.540  -1.980   1.070
  199   2HB   TYR  31          1HB       TYR  31   1.027  -2.767   1.499
  200    HD1  TYR  31           1HD      TYR  31   2.859   0.318   1.488
  201    HD2  TYR  31           2HD      TYR  31  -0.344  -1.774   3.440
  202    HE1  TYR  31           1HE      TYR  31   1.996   2.466   2.375
  203    HE2  TYR  31           2HE      TYR  31  -1.208   0.374   4.327
  204    HH   TYR  31           HH       TYR  31  -0.202   2.679   4.859
  205    H    GLY  32           H        GLY  32   1.464  -5.200   3.332
  206   1HA   GLY  32          2HA       GLY  32   3.654  -6.925   2.756
  207   2HA   GLY  32          1HA       GLY  32   1.961  -7.411   2.738
  208    H    ASN  33           H        ASN  33   1.344  -5.345   0.631
  209    HA   ASN  33           HA       ASN  33   2.949  -6.006  -1.683
  210   1HB   ASN  33          2HB       ASN  33   1.015  -7.224  -2.847
  211   2HB   ASN  33          1HB       ASN  33   1.903  -8.144  -1.631
  212   1HD2  ASN  33          1HD2      ASN  33   0.315  -9.427  -0.639
  213   2HD2  ASN  33          2HD2      ASN  33  -1.137  -8.828   0.005
  214    H    LYS  34           H        LYS  34   1.737  -5.248  -3.721
  215    HA   LYS  34           HA       LYS  34   0.915  -2.557  -3.378
  216   1HB   LYS  34          2HB       LYS  34   1.792  -3.873  -5.497
  217   2HB   LYS  34          1HB       LYS  34   0.069  -4.112  -5.796
  218   1HG   LYS  34          2HG       LYS  34   0.524  -1.375  -5.037
  219   2HG   LYS  34          1HG       LYS  34   1.617  -1.799  -6.355
  220   1HD   LYS  34          2HD       LYS  34  -1.400  -2.063  -6.314
  221   2HD   LYS  34          1HD       LYS  34  -0.429  -1.027  -7.361
  222   1HE   LYS  34          2HE       LYS  34   0.514  -3.717  -7.633
  223   2HE   LYS  34          1HE       LYS  34  -1.238  -3.720  -7.827
  224   1HZ   LYS  34          1HZ       LYS  34  -1.116  -2.177  -9.563
  225   2HZ   LYS  34          2HZ       LYS  34   0.136  -3.279  -9.885
  226   3HZ   LYS  34          3HZ       LYS  34   0.490  -1.759  -9.213
  227    H    CYS  35           H        CYS  35  -0.847  -5.431  -2.859
  228    HA   CYS  35           HA       CYS  35  -3.458  -4.349  -3.591
  229   1HB   CYS  35          2HB       CYS  35  -3.082  -6.794  -3.494
  230   2HB   CYS  35          1HB       CYS  35  -2.744  -6.668  -1.768
  231    H    ASN  36           H        ASN  36  -1.431  -4.508  -0.729
  232    HA   ASN  36           HA       ASN  36  -3.485  -3.342   1.009
  233   1HB   ASN  36          2HB       ASN  36  -1.172  -4.839   1.424
  234   2HB   ASN  36          1HB       ASN  36  -0.722  -3.222   1.960
  235   1HD2  ASN  36          1HD2      ASN  36  -3.282  -5.707   2.383
  236   2HD2  ASN  36          2HD2      ASN  36  -3.696  -5.234   3.959
  237    H    PHE  37           H        PHE  37  -0.899  -2.307  -1.058
  238    HA   PHE  37           HA       PHE  37  -0.599   0.342   0.107
  239   1HB   PHE  37          2HB       PHE  37   1.172  -0.811  -1.284
  240   2HB   PHE  37          1HB       PHE  37   0.132  -0.586  -2.690
  241    HD1  PHE  37           1HD      PHE  37  -0.113   1.553  -3.748
  242    HD2  PHE  37           2HD      PHE  37   2.063   1.201  -0.061
  243    HE1  PHE  37           1HE      PHE  37   0.719   3.873  -4.019
  244    HE2  PHE  37           2HE      PHE  37   2.898   3.528  -0.330
  245    HZ   PHE  37           HZ       PHE  37   2.223   4.859  -2.312
  246    H    CYS  38           H        CYS  38  -2.367  -1.053  -2.638
  247    HA   CYS  38           HA       CYS  38  -3.480   1.483  -3.495
  248   1HB   CYS  38          2HB       CYS  38  -3.666  -1.327  -4.296
  249   2HB   CYS  38          1HB       CYS  38  -5.222  -0.505  -4.381
  250    H    CYS  39           H        CYS  39  -4.253  -0.874  -1.069
  251    HA   CYS  39           HA       CYS  39  -7.032  -0.064  -0.754
  252   1HB   CYS  39          2HB       CYS  39  -6.852  -2.153   0.181
  253   2HB   CYS  39          1HB       CYS  39  -5.150  -1.937   0.571
  254    H    ALA  40           H        ALA  40  -3.974   0.636   0.915
  255    HA   ALA  40           HA       ALA  40  -5.140   2.461   2.818
  256   1HB   ALA  40          1HB       ALA  40  -2.569   3.319   2.626
  257   2HB   ALA  40          2HB       ALA  40  -2.409   1.700   1.944
  258   3HB   ALA  40          3HB       ALA  40  -3.051   1.912   3.573
  259    H    VAL  41           H        VAL  41  -3.989   2.745  -0.475
  260    HA   VAL  41           HA       VAL  41  -3.938   5.652  -0.493
  261    HB   VAL  41           HB       VAL  41  -4.010   3.599  -2.723
  262   1HG1  VAL  41          1HG1      VAL  41  -4.750   6.287  -2.903
  263   2HG1  VAL  41          2HG1      VAL  41  -4.248   5.253  -4.241
  264   3HG1  VAL  41          3HG1      VAL  41  -3.065   6.268  -3.419
  265   1HG2  VAL  41          1HG2      VAL  41  -1.807   3.454  -2.267
  266   2HG2  VAL  41          2HG2      VAL  41  -1.948   4.694  -1.022
  267   3HG2  VAL  41          3HG2      VAL  41  -1.645   5.155  -2.698
  268    H    VAL  42           H        VAL  42  -6.294   3.151  -1.328
  269    HA   VAL  42           HA       VAL  42  -8.237   4.904  -2.500
  270    HB   VAL  42           HB       VAL  42  -8.322   2.160  -1.260
  271   1HG1  VAL  42          1HG1      VAL  42 -10.777   2.100  -1.837
  272   2HG1  VAL  42          2HG1      VAL  42 -10.718   3.853  -2.013
  273   3HG1  VAL  42          3HG1      VAL  42 -10.386   3.112  -0.448
  274   1HG2  VAL  42          1HG2      VAL  42  -7.962   3.206  -3.832
  275   2HG2  VAL  42          2HG2      VAL  42  -9.617   2.597  -3.827
  276   3HG2  VAL  42          3HG2      VAL  42  -8.280   1.521  -3.420
  277    H    GLU  43           H        GLU  43  -7.396   4.081   0.809
  278    HA   GLU  43           HA       GLU  43  -9.738   5.198   2.059
  279   1HB   GLU  43          2HB       GLU  43  -6.928   4.608   2.990
  280   2HB   GLU  43          1HB       GLU  43  -8.060   5.460   4.040
  281   1HG   GLU  43          2HG       GLU  43  -9.119   3.024   2.724
  282   2HG   GLU  43          1HG       GLU  43  -7.873   2.755   3.942
  283    H    SER  44           H        SER  44  -6.598   6.523   1.083
  284    HA   SER  44           HA       SER  44  -7.408   9.217   2.005
  285   1HB   SER  44          2HB       SER  44  -4.912   7.871   1.566
  286   2HB   SER  44          1HB       SER  44  -4.968   9.301   0.540
  287    HG   SER  44           HG       SER  44  -5.692  10.424   2.499
  288    H    ASN  45           H        ASN  45  -7.958   7.339  -0.662
  289    HA   ASN  45           HA       ASN  45  -8.853   7.868  -2.760
  290   1HB   ASN  45          2HB       ASN  45  -9.341  10.147  -1.162
  291   2HB   ASN  45          1HB       ASN  45  -8.702  10.743  -2.694
  292   1HD2  ASN  45          1HD2      ASN  45 -11.086   8.297  -1.514
  293   2HD2  ASN  45          2HD2      ASN  45 -12.201   8.570  -2.764
  294    H    GLY  46           H        GLY  46  -5.813   8.173  -1.904
  295   1HA   GLY  46          2HA       GLY  46  -4.142   7.997  -3.745
  296   2HA   GLY  46          1HA       GLY  46  -4.995   9.317  -4.545
  297    H    THR  47           H        THR  47  -4.918   9.854  -1.231
  298    HA   THR  47           HA       THR  47  -3.023  12.040  -1.549
  299    HB   THR  47           HB       THR  47  -4.211  11.034   1.039
  300    HG1  THR  47           1HG      THR  47  -5.426  13.020  -0.505
  301   1HG2  THR  47          1HG2      THR  47  -4.182  13.597   1.390
  302   2HG2  THR  47          2HG2      THR  47  -3.088  13.624   0.006
  303   3HG2  THR  47          3HG2      THR  47  -2.647  12.733   1.463
  304    H    LEU  48           H        LEU  48  -3.087   8.903   0.103
  305    HA   LEU  48           HA       LEU  48  -0.616   9.129   1.482
  306   1HB   LEU  48          2HB       LEU  48  -2.444   7.218   1.465
  307   2HB   LEU  48          1HB       LEU  48  -1.414   6.527   0.213
  308    HG   LEU  48           HG       LEU  48   0.500   6.530   1.709
  309   1HD1  LEU  48          1HD1      LEU  48  -0.044   7.178   4.179
  310   2HD1  LEU  48          2HD1      LEU  48  -1.374   8.095   3.471
  311   3HD1  LEU  48          3HD1      LEU  48   0.290   8.466   3.022
  312   1HD2  LEU  48          1HD2      LEU  48  -1.334   4.718   1.857
  313   2HD2  LEU  48          2HD2      LEU  48  -1.819   5.512   3.355
  314   3HD2  LEU  48          3HD2      LEU  48  -0.202   4.826   3.206
  315    H    THR  49           H        THR  49   1.523   8.457   0.845
  316    HA   THR  49           HA       THR  49   1.900   8.294  -2.117
  317    HB   THR  49           HB       THR  49   4.154   9.474  -1.500
  318    HG1  THR  49           1HG      THR  49   2.579  10.691   0.447
  319   1HG2  THR  49          1HG2      THR  49   2.169  10.343  -2.857
  320   2HG2  THR  49          2HG2      THR  49   3.183  11.562  -2.086
  321   3HG2  THR  49          3HG2      THR  49   1.634  11.123  -1.368
  322    H    LEU  50           H        LEU  50   4.627   7.852  -2.135
  323    HA   LEU  50           HA       LEU  50   4.989   5.327  -0.569
  324   1HB   LEU  50          2HB       LEU  50   4.441   4.729  -2.867
  325   2HB   LEU  50          1HB       LEU  50   5.642   5.863  -3.486
  326    HG   LEU  50           HG       LEU  50   7.234   4.419  -1.872
  327   1HD1  LEU  50          1HD1      LEU  50   4.770   2.851  -2.223
  328   2HD1  LEU  50          2HD1      LEU  50   6.073   2.651  -1.050
  329   3HD1  LEU  50          3HD1      LEU  50   6.235   1.979  -2.672
  330   1HD2  LEU  50          1HD2      LEU  50   6.330   3.879  -4.701
  331   2HD2  LEU  50          2HD2      LEU  50   7.639   2.958  -3.960
  332   3HD2  LEU  50          3HD2      LEU  50   7.792   4.703  -4.160
  333    H    SER  51           H        SER  51   7.144   4.986   0.135
  334    HA   SER  51           HA       SER  51   8.908   7.380  -0.097
  335   1HB   SER  51          2HB       SER  51   9.680   5.259   1.796
  336   2HB   SER  51          1HB       SER  51   9.567   6.998   2.043
  337    HG   SER  51           HG       SER  51   7.871   6.353   3.158
  338    H    HIS  52           H        HIS  52   8.974   3.817  -0.283
  339    HA   HIS  52           HA       HIS  52  10.746   3.742  -2.492
  340   1HB   HIS  52          2HB       HIS  52  12.842   3.027  -1.367
  341   2HB   HIS  52          1HB       HIS  52  12.412   4.687  -0.959
  342    HD1  HIS  52           1HD      HIS  52  12.672   1.247   0.499
  343    HD2  HIS  52           2HD      HIS  52  11.540   5.062   1.743
  344    HE1  HIS  52           1HE      HIS  52  12.510   1.160   3.026
  345    H    PHE  53           H        PHE  53   9.716   1.931  -3.238
  346    HA   PHE  53           HA       PHE  53   8.528  -0.146  -1.872
  347   1HB   PHE  53          2HB       PHE  53  10.275  -0.615  -4.297
  348   2HB   PHE  53          1HB       PHE  53   8.841  -1.511  -3.818
  349    HD1  PHE  53           1HD      PHE  53  10.046   0.991  -5.956
  350    HD2  PHE  53           2HD      PHE  53   6.655   0.022  -3.503
  351    HE1  PHE  53           1HE      PHE  53   8.635   2.524  -7.301
  352    HE2  PHE  53           2HE      PHE  53   5.245   1.556  -4.846
  353    HZ   PHE  53           HZ       PHE  53   6.235   2.807  -6.746
  354    H    GLY  54           H        GLY  54   9.509  -0.974  -0.024
  355   1HA   GLY  54          2HA       GLY  54  11.465  -2.981  -0.199
  356   2HA   GLY  54          1HA       GLY  54  12.335  -1.494   0.173
  357    H    LYS  55           H        LYS  55  12.262  -3.644   1.985
  358    HA   LYS  55           HA       LYS  55  10.191  -3.273   3.973
  359   1HB   LYS  55          2HB       LYS  55  11.763  -4.613   5.432
  360   2HB   LYS  55          1HB       LYS  55  11.341  -5.391   3.907
  361   1HG   LYS  55          2HG       LYS  55  13.440  -4.954   2.954
  362   2HG   LYS  55          1HG       LYS  55  13.793  -3.656   4.094
  363   1HD   LYS  55          2HD       LYS  55  14.269  -5.155   5.848
  364   2HD   LYS  55          1HD       LYS  55  13.424  -6.486   5.059
  365   1HE   LYS  55          2HE       LYS  55  15.434  -7.154   4.279
  366   2HE   LYS  55          1HE       LYS  55  15.387  -5.745   3.219
  367   1HZ   LYS  55          1HZ       LYS  55  16.258  -4.544   5.341
  368   2HZ   LYS  55          2HZ       LYS  55  17.332  -5.396   4.336
  369   3HZ   LYS  55          3HZ       LYS  55  16.775  -6.098   5.779
  370    H    CYS  56           H        CYS  56  10.083  -1.709   5.504
  371    HA   CYS  56           HA       CYS  56  11.990   0.434   5.597
  372   1HB   CYS  56          2HB       CYS  56   9.643  -0.390   7.288
  373   2HB   CYS  56          1HB       CYS  56  10.697   0.920   7.824
  Start of MODEL    9
    1   1H    ALA   3          1HT       ALA   3   3.986   9.301  -5.399
    2   2H    ALA   3          2HT       ALA   3   3.199  10.742  -5.835
    3   3H    ALA   3          3HT       ALA   3   4.532  10.194  -6.734
    4    HA   ALA   3           HA       ALA   3   2.348   8.305  -6.535
    5   1HB   ALA   3          1HB       ALA   3   2.031  11.055  -7.682
    6   2HB   ALA   3          2HB       ALA   3   0.839  10.036  -6.874
    7   3HB   ALA   3          3HB       ALA   3   1.303   9.698  -8.542
    8    H    VAL   4           H        VAL   4   4.746   7.506  -7.116
    9    HA   VAL   4           HA       VAL   4   4.951   7.568 -10.102
   10    HB   VAL   4           HB       VAL   4   7.344   7.391  -9.914
   11   1HG1  VAL   4          1HG1      VAL   4   6.711   9.663  -9.731
   12   2HG1  VAL   4          2HG1      VAL   4   7.820   9.421  -8.382
   13   3HG1  VAL   4          3HG1      VAL   4   6.080   9.443  -8.100
   14   1HG2  VAL   4          1HG2      VAL   4   6.677   6.751  -7.066
   15   2HG2  VAL   4          2HG2      VAL   4   8.218   7.538  -7.406
   16   3HG2  VAL   4          3HG2      VAL   4   7.843   5.980  -8.141
   17    H    SER   5           H        SER   5   4.982   5.578 -11.101
   18    HA   SER   5           HA       SER   5   4.929   3.242 -11.335
   19   1HB   SER   5          2HB       SER   5   7.063   3.639  -9.780
   20   2HB   SER   5          1HB       SER   5   6.038   2.846  -8.587
   21    HG   SER   5           HG       SER   5   7.435   1.509 -10.056
   22    H    VAL   6           H        VAL   6   2.755   4.787 -10.013
   23    HA   VAL   6           HA       VAL   6   1.537   2.506  -8.513
   24    HB   VAL   6           HB       VAL   6   2.150   4.425  -7.013
   25   1HG1  VAL   6          1HG1      VAL   6   1.301   5.984  -9.105
   26   2HG1  VAL   6          2HG1      VAL   6   1.508   6.560  -7.451
   27   3HG1  VAL   6          3HG1      VAL   6  -0.086   6.063  -8.018
   28   1HG2  VAL   6          1HG2      VAL   6  -0.669   3.499  -7.458
   29   2HG2  VAL   6          2HG2      VAL   6  -0.365   4.741  -6.244
   30   3HG2  VAL   6          3HG2      VAL   6   0.416   3.166  -6.108
   31    H    ASP   7           H        ASP   7  -0.651   2.101  -8.988
   32    HA   ASP   7           HA       ASP   7  -2.262   3.909 -10.573
   33   1HB   ASP   7          2HB       ASP   7  -2.374   2.048 -12.473
   34   2HB   ASP   7          1HB       ASP   7  -1.160   3.326 -12.525
   35    H    CYS   8           H        CYS   8  -3.638   3.342  -8.745
   36    HA   CYS   8           HA       CYS   8  -4.952   0.682  -9.118
   37   1HB   CYS   8          2HB       CYS   8  -3.919   1.989  -6.648
   38   2HB   CYS   8          1HB       CYS   8  -5.470   1.156  -6.518
   39    H    SER   9           H        SER   9  -5.956   2.729 -10.523
   40    HA   SER   9           HA       SER   9  -7.722   4.552  -9.334
   41   1HB   SER   9          2HB       SER   9  -9.054   4.270 -11.506
   42   2HB   SER   9          1HB       SER   9  -7.362   4.727 -11.681
   43    HG   SER   9           HG       SER   9  -7.696   3.032 -13.051
   44    H    GLU  10           H        GLU  10  -8.679   3.509  -7.525
   45    HA   GLU  10           HA       GLU  10 -10.599   2.565  -6.522
   46   1HB   GLU  10          2HB       GLU  10 -11.531   3.088  -8.981
   47   2HB   GLU  10          1HB       GLU  10 -11.520   1.327  -9.075
   48   1HG   GLU  10          2HG       GLU  10 -12.668   1.510  -6.698
   49   2HG   GLU  10          1HG       GLU  10 -13.110   3.119  -7.274
   50    H    TYR  11           H        TYR  11  -8.398   1.216  -6.081
   51    HA   TYR  11           HA       TYR  11  -9.127  -1.624  -6.656
   52   1HB   TYR  11          2HB       TYR  11  -7.069  -0.548  -7.926
   53   2HB   TYR  11          1HB       TYR  11  -6.251  -0.836  -6.391
   54    HD1  TYR  11           1HD      TYR  11  -6.193  -3.163  -5.429
   55    HD2  TYR  11           2HD      TYR  11  -7.613  -2.343  -9.399
   56    HE1  TYR  11           1HE      TYR  11  -5.936  -5.560  -6.017
   57    HE2  TYR  11           2HE      TYR  11  -7.357  -4.738  -9.987
   58    HH   TYR  11           HH       TYR  11  -5.561  -6.794  -8.574
   59    HA   PRO  12           HA       PRO  12  -8.237  -0.745  -2.132
   60   1HB   PRO  12          2HB       PRO  12 -10.816  -0.924  -1.206
   61   2HB   PRO  12          1HB       PRO  12 -10.063   0.601  -1.706
   62   1HG   PRO  12          2HG       PRO  12 -12.099  -1.048  -3.136
   63   2HG   PRO  12          1HG       PRO  12 -11.803   0.696  -3.225
   64   1HD   PRO  12          2HD       PRO  12 -10.970  -1.215  -5.133
   65   2HD   PRO  12          1HD       PRO  12 -10.395   0.460  -5.009
   66    H    LYS  13           H        LYS  13  -7.697  -2.600  -1.003
   67    HA   LYS  13           HA       LYS  13  -9.507  -4.867  -0.822
   68   1HB   LYS  13          2HB       LYS  13  -7.164  -4.929  -2.700
   69   2HB   LYS  13          1HB       LYS  13  -7.639  -6.402  -1.856
   70   1HG   LYS  13          2HG       LYS  13 -10.066  -5.450  -2.724
   71   2HG   LYS  13          1HG       LYS  13  -8.999  -4.977  -4.046
   72   1HD   LYS  13          2HD       LYS  13  -8.083  -7.430  -3.809
   73   2HD   LYS  13          1HD       LYS  13  -9.631  -7.726  -3.016
   74   1HE   LYS  13          2HE       LYS  13 -10.630  -7.845  -5.027
   75   2HE   LYS  13          1HE       LYS  13 -10.146  -6.182  -5.357
   76   1HZ   LYS  13          1HZ       LYS  13  -8.851  -7.024  -6.932
   77   2HZ   LYS  13          2HZ       LYS  13  -9.074  -8.617  -6.386
   78   3HZ   LYS  13          3HZ       LYS  13  -7.864  -7.642  -5.699
   79    H    CYS  14           H        CYS  14  -9.157  -4.642   1.423
   80    HA   CYS  14           HA       CYS  14  -6.378  -4.882   2.424
   81   1HB   CYS  14          2HB       CYS  14  -9.031  -4.209   3.682
   82   2HB   CYS  14          1HB       CYS  14  -7.670  -4.703   4.689
   83    H    ALA  15           H        ALA  15  -7.911  -7.089   1.072
   84    HA   ALA  15           HA       ALA  15  -7.331  -9.157   3.100
   85   1HB   ALA  15          1HB       ALA  15  -9.916  -8.308   2.913
   86   2HB   ALA  15          2HB       ALA  15  -9.457  -9.949   3.363
   87   3HB   ALA  15          3HB       ALA  15  -9.904  -9.585   1.697
   88    H    CYS  16           H        CYS  16  -5.596  -9.407   1.447
   89    HA   CYS  16           HA       CYS  16  -6.560 -10.746  -1.044
   90   1HB   CYS  16          2HB       CYS  16  -4.176  -9.081  -0.380
   91   2HB   CYS  16          1HB       CYS  16  -3.970 -10.366  -1.571
   92    H    THR  17           H        THR  17  -4.585 -12.293  -1.787
   93    HA   THR  17           HA       THR  17  -4.609 -14.432   0.198
   94    HB   THR  17           HB       THR  17  -3.272 -14.232  -2.517
   95    HG1  THR  17           1HG      THR  17  -5.664 -15.419  -1.574
   96   1HG2  THR  17          1HG2      THR  17  -3.850 -16.830  -1.169
   97   2HG2  THR  17          2HG2      THR  17  -2.447 -15.918  -0.614
   98   3HG2  THR  17          3HG2      THR  17  -2.564 -16.415  -2.302
   99    H    MET  18           H        MET  18  -1.667 -13.837  -1.645
  100    HA   MET  18           HA       MET  18  -0.248 -12.796   0.709
  101   1HB   MET  18          2HB       MET  18  -0.397 -15.608   0.231
  102   2HB   MET  18          1HB       MET  18   1.254 -15.085  -0.100
  103   1HG   MET  18          2HG       MET  18   1.563 -14.257   2.075
  104   2HG   MET  18          1HG       MET  18  -0.170 -14.141   2.378
  105   1HE   MET  18          1HE       MET  18  -0.394 -15.265   4.498
  106   2HE   MET  18          2HE       MET  18   1.360 -15.301   4.647
  107   3HE   MET  18          3HE       MET  18   0.422 -16.750   5.004
  108    H    GLU  19           H        GLU  19  -0.686 -11.973  -2.113
  109    HA   GLU  19           HA       GLU  19   1.466 -12.426  -3.838
  110   1HB   GLU  19          2HB       GLU  19  -0.575 -10.863  -4.141
  111   2HB   GLU  19          1HB       GLU  19   0.414  -9.638  -3.345
  112   1HG   GLU  19          2HG       GLU  19   1.689  -9.328  -5.185
  113   2HG   GLU  19          1HG       GLU  19   1.867 -11.063  -5.447
  114    H    TYR  20           H        TYR  20   3.526 -11.237  -4.121
  115    HA   TYR  20           HA       TYR  20   4.510 -10.122  -1.526
  116   1HB   TYR  20          2HB       TYR  20   5.441 -12.393  -2.638
  117   2HB   TYR  20          1HB       TYR  20   6.471 -11.213  -3.451
  118    HD1  TYR  20           1HD      TYR  20   5.817 -12.963  -0.359
  119    HD2  TYR  20           2HD      TYR  20   7.728  -9.507  -2.049
  120    HE1  TYR  20           1HE      TYR  20   7.176 -12.706   1.700
  121    HE2  TYR  20           2HE      TYR  20   9.089  -9.251   0.007
  122    HH   TYR  20           HH       TYR  20   8.389 -10.558   2.845
  123    H    ARG  21           H        ARG  21   4.561  -7.989  -1.795
  124    HA   ARG  21           HA       ARG  21   6.312  -6.819  -3.828
  125   1HB   ARG  21          2HB       ARG  21   3.622  -5.520  -3.626
  126   2HB   ARG  21          1HB       ARG  21   4.758  -5.527  -4.971
  127   1HG   ARG  21          2HG       ARG  21   3.341  -8.055  -4.139
  128   2HG   ARG  21          1HG       ARG  21   2.566  -6.894  -5.208
  129   1HD   ARG  21          2HD       ARG  21   4.363  -8.915  -5.963
  130   2HD   ARG  21          1HD       ARG  21   3.775  -7.595  -6.971
  131    HE   ARG  21           HE       ARG  21   6.351  -7.572  -5.465
  132   1HH1  ARG  21          1HH2      ARG  21   5.407  -7.463  -8.548
  133   2HH1  ARG  21          2HH2      ARG  21   6.008  -5.884  -8.928
  134   1HH2  ARG  21          1HH1      ARG  21   6.605  -5.026  -5.623
  135   2HH2  ARG  21          2HH1      ARG  21   6.690  -4.505  -7.272
  136    HA   PRO  22           HA       PRO  22   6.530  -4.781   0.214
  137   1HB   PRO  22          2HB       PRO  22   9.234  -4.296   0.044
  138   2HB   PRO  22          1HB       PRO  22   8.539  -5.806   0.658
  139   1HG   PRO  22          2HG       PRO  22   9.836  -5.270  -1.976
  140   2HG   PRO  22          1HG       PRO  22   9.733  -6.784  -1.063
  141   1HD   PRO  22          2HD       PRO  22   8.143  -6.113  -3.296
  142   2HD   PRO  22          1HD       PRO  22   7.801  -7.418  -2.139
  143    H    LEU  23           H        LEU  23   5.826  -2.717   0.185
  144    HA   LEU  23           HA       LEU  23   7.302  -0.682  -1.396
  145   1HB   LEU  23          2HB       LEU  23   4.286  -1.054  -1.488
  146   2HB   LEU  23          1HB       LEU  23   5.169   0.293  -2.210
  147    HG   LEU  23           HG       LEU  23   5.995  -2.491  -2.932
  148   1HD1  LEU  23          1HD1      LEU  23   4.295  -2.217  -4.879
  149   2HD1  LEU  23          2HD1      LEU  23   3.467  -1.099  -3.794
  150   3HD1  LEU  23          3HD1      LEU  23   3.693  -2.783  -3.321
  151   1HD2  LEU  23          1HD2      LEU  23   5.660  -0.172  -4.800
  152   2HD2  LEU  23          2HD2      LEU  23   6.875  -1.450  -4.815
  153   3HD2  LEU  23          3HD2      LEU  23   6.990  -0.137  -3.642
  154    H    CYS  24           H        CYS  24   7.851   0.829   0.126
  155    HA   CYS  24           HA       CYS  24   6.246   1.000   2.582
  156   1HB   CYS  24          2HB       CYS  24   8.897   1.165   2.273
  157   2HB   CYS  24          1HB       CYS  24   8.515   2.875   2.089
  158    H    GLY  25           H        GLY  25   4.446   2.198   2.441
  159   1HA   GLY  25          2HA       GLY  25   3.838   4.168   0.539
  160   2HA   GLY  25          1HA       GLY  25   3.079   4.066   2.124
  161    H    SER  26           H        SER  26   3.911   6.446   0.621
  162    HA   SER  26           HA       SER  26   6.279   7.648   1.574
  163   1HB   SER  26          2HB       SER  26   5.097   8.870  -0.071
  164   2HB   SER  26          1HB       SER  26   3.587   8.791   0.830
  165    HG   SER  26           HG       SER  26   5.570  10.613   0.946
  166    H    ASP  27           H        ASP  27   3.492   6.748   3.362
  167    HA   ASP  27           HA       ASP  27   3.814   8.733   5.472
  168   1HB   ASP  27          2HB       ASP  27   2.015   7.609   6.551
  169   2HB   ASP  27          1HB       ASP  27   1.661   7.523   4.823
  170    H    ASN  28           H        ASN  28   5.967   6.533   4.664
  171    HA   ASN  28           HA       ASN  28   7.734   5.566   5.877
  172   1HB   ASN  28          2HB       ASN  28   6.994   7.610   7.467
  173   2HB   ASN  28          1HB       ASN  28   6.547   6.263   8.515
  174   1HD2  ASN  28          1HD2      ASN  28   9.280   7.863   6.923
  175   2HD2  ASN  28          2HD2      ASN  28  10.490   7.033   7.776
  176    H    LYS  29           H        LYS  29   5.307   4.096   5.203
  177    HA   LYS  29           HA       LYS  29   5.389   2.086   7.420
  178   1HB   LYS  29          2HB       LYS  29   3.207   3.075   7.527
  179   2HB   LYS  29          1HB       LYS  29   3.022   3.000   5.776
  180   1HG   LYS  29          2HG       LYS  29   2.111   0.953   5.966
  181   2HG   LYS  29          1HG       LYS  29   3.604   0.362   6.694
  182   1HD   LYS  29          2HD       LYS  29   1.814   1.950   8.456
  183   2HD   LYS  29          1HD       LYS  29   1.249   0.342   8.004
  184   1HE   LYS  29          2HE       LYS  29   2.505  -0.147   9.904
  185   2HE   LYS  29          1HE       LYS  29   3.708  -0.374   8.634
  186   1HZ   LYS  29          1HZ       LYS  29   4.824   1.474   9.231
  187   2HZ   LYS  29          2HZ       LYS  29   4.097   1.185  10.740
  188   3HZ   LYS  29          3HZ       LYS  29   3.426   2.326   9.675
  189    H    THR  30           H        THR  30   5.633  -0.062   6.761
  190    HA   THR  30           HA       THR  30   6.321  -0.427   3.906
  191    HB   THR  30           HB       THR  30   6.537  -2.341   6.254
  192    HG1  THR  30           1HG      THR  30   8.795  -1.860   5.926
  193   1HG2  THR  30          1HG2      THR  30   6.666  -2.759   3.414
  194   2HG2  THR  30          2HG2      THR  30   6.889  -3.935   4.710
  195   3HG2  THR  30          3HG2      THR  30   8.268  -3.015   4.108
  196    H    TYR  31           H        TYR  31   5.060  -1.616   2.497
  197    HA   TYR  31           HA       TYR  31   2.467  -2.613   3.575
  198   1HB   TYR  31          2HB       TYR  31   3.335  -1.473   0.932
  199   2HB   TYR  31          1HB       TYR  31   1.904  -2.496   1.028
  200    HD1  TYR  31           1HD      TYR  31   3.355   0.745   1.870
  201    HD2  TYR  31           2HD      TYR  31  -0.029  -1.830   2.452
  202    HE1  TYR  31           1HE      TYR  31   2.044   2.662   2.739
  203    HE2  TYR  31           2HE      TYR  31  -1.340   0.087   3.319
  204    HH   TYR  31           HH       TYR  31  -0.114   2.792   4.436
  205    H    GLY  32           H        GLY  32   1.912  -4.753   3.273
  206   1HA   GLY  32          2HA       GLY  32   3.961  -6.661   2.677
  207   2HA   GLY  32          1HA       GLY  32   2.243  -7.032   2.818
  208    H    ASN  33           H        ASN  33   1.393  -5.221   0.705
  209    HA   ASN  33           HA       ASN  33   2.819  -5.881  -1.724
  210   1HB   ASN  33          2HB       ASN  33   0.829  -7.231  -2.655
  211   2HB   ASN  33          1HB       ASN  33   1.922  -8.066  -1.550
  212   1HD2  ASN  33          1HD2      ASN  33   0.421  -9.496  -0.552
  213   2HD2  ASN  33          2HD2      ASN  33  -0.918  -8.963   0.344
  214    H    LYS  34           H        LYS  34   1.456  -5.198  -3.662
  215    HA   LYS  34           HA       LYS  34   0.461  -2.573  -3.269
  216   1HB   LYS  34          2HB       LYS  34  -0.269  -2.678  -5.605
  217   2HB   LYS  34          1HB       LYS  34   1.326  -3.415  -5.444
  218   1HG   LYS  34          2HG       LYS  34   0.557  -5.498  -5.957
  219   2HG   LYS  34          1HG       LYS  34  -0.945  -5.270  -5.062
  220   1HD   LYS  34          2HD       LYS  34  -2.046  -4.343  -6.867
  221   2HD   LYS  34          1HD       LYS  34  -0.569  -3.671  -7.558
  222   1HE   LYS  34          2HE       LYS  34   0.150  -6.037  -8.089
  223   2HE   LYS  34          1HE       LYS  34  -1.462  -6.565  -7.607
  224   1HZ   LYS  34          1HZ       LYS  34  -0.641  -4.977  -9.929
  225   2HZ   LYS  34          2HZ       LYS  34  -2.176  -4.689  -9.258
  226   3HZ   LYS  34          3HZ       LYS  34  -1.770  -6.238  -9.828
  227    H    CYS  35           H        CYS  35  -1.043  -5.538  -2.593
  228    HA   CYS  35           HA       CYS  35  -3.770  -4.658  -3.150
  229   1HB   CYS  35          2HB       CYS  35  -3.144  -7.069  -3.068
  230   2HB   CYS  35          1HB       CYS  35  -2.760  -6.892  -1.357
  231    H    ASN  36           H        ASN  36  -1.550  -4.734  -0.422
  232    HA   ASN  36           HA       ASN  36  -3.544  -3.600   1.417
  233   1HB   ASN  36          2HB       ASN  36  -1.234  -5.126   1.736
  234   2HB   ASN  36          1HB       ASN  36  -0.755  -3.523   2.282
  235   1HD2  ASN  36          1HD2      ASN  36  -3.554  -5.775   2.648
  236   2HD2  ASN  36          2HD2      ASN  36  -3.819  -5.410   4.285
  237    H    PHE  37           H        PHE  37  -1.246  -2.521  -0.867
  238    HA   PHE  37           HA       PHE  37  -0.764   0.082   0.390
  239   1HB   PHE  37          2HB       PHE  37   0.988  -0.856  -1.025
  240   2HB   PHE  37          1HB       PHE  37  -0.141  -1.013  -2.369
  241    HD1  PHE  37           1HD      PHE  37  -0.812   0.873  -3.693
  242    HD2  PHE  37           2HD      PHE  37   1.724   1.410  -0.266
  243    HE1  PHE  37           1HE      PHE  37  -0.333   3.196  -4.410
  244    HE2  PHE  37           2HE      PHE  37   2.205   3.741  -0.986
  245    HZ   PHE  37           HZ       PHE  37   1.168   4.626  -3.064
  246    H    CYS  38           H        CYS  38  -2.563  -1.121  -2.445
  247    HA   CYS  38           HA       CYS  38  -3.728   1.450  -3.055
  248   1HB   CYS  38          2HB       CYS  38  -4.713  -1.316  -3.819
  249   2HB   CYS  38          1HB       CYS  38  -5.162   0.204  -4.593
  250    H    CYS  39           H        CYS  39  -4.460  -1.081  -0.793
  251    HA   CYS  39           HA       CYS  39  -7.267  -0.391  -0.459
  252   1HB   CYS  39          2HB       CYS  39  -6.180  -2.599   0.211
  253   2HB   CYS  39          1HB       CYS  39  -5.469  -1.733   1.573
  254    H    ALA  40           H        ALA  40  -4.282   0.333   1.317
  255    HA   ALA  40           HA       ALA  40  -5.585   2.086   3.220
  256   1HB   ALA  40          1HB       ALA  40  -3.097   2.888   3.489
  257   2HB   ALA  40          2HB       ALA  40  -2.736   1.504   2.459
  258   3HB   ALA  40          3HB       ALA  40  -3.542   1.263   4.008
  259    H    VAL  41           H        VAL  41  -4.339   2.458  -0.003
  260    HA   VAL  41           HA       VAL  41  -4.050   5.348   0.102
  261    HB   VAL  41           HB       VAL  41  -4.263   3.362  -2.176
  262   1HG1  VAL  41          1HG1      VAL  41  -3.242   5.789  -3.150
  263   2HG1  VAL  41          2HG1      VAL  41  -4.656   6.239  -2.196
  264   3HG1  VAL  41          3HG1      VAL  41  -4.817   5.085  -3.519
  265   1HG2  VAL  41          1HG2      VAL  41  -1.972   3.422  -2.216
  266   2HG2  VAL  41          2HG2      VAL  41  -2.176   3.877  -0.524
  267   3HG2  VAL  41          3HG2      VAL  41  -1.906   5.120  -1.746
  268    H    VAL  42           H        VAL  42  -6.558   3.105  -1.016
  269    HA   VAL  42           HA       VAL  42  -8.369   5.062  -2.023
  270    HB   VAL  42           HB       VAL  42  -8.992   2.406  -0.691
  271   1HG1  VAL  42          1HG1      VAL  42 -11.164   2.634  -1.394
  272   2HG1  VAL  42          2HG1      VAL  42 -10.714   3.580  -2.812
  273   3HG1  VAL  42          3HG1      VAL  42 -10.788   4.349  -1.228
  274   1HG2  VAL  42          1HG2      VAL  42  -7.634   3.016  -3.112
  275   2HG2  VAL  42          2HG2      VAL  42  -9.241   2.441  -3.556
  276   3HG2  VAL  42          3HG2      VAL  42  -8.191   1.436  -2.558
  277    H    GLU  43           H        GLU  43  -7.658   3.950   1.234
  278    HA   GLU  43           HA       GLU  43  -9.945   5.349   2.413
  279   1HB   GLU  43          2HB       GLU  43  -7.492   4.416   3.906
  280   2HB   GLU  43          1HB       GLU  43  -9.149   4.554   4.496
  281   1HG   GLU  43          2HG       GLU  43  -9.343   2.825   2.311
  282   2HG   GLU  43          1HG       GLU  43  -7.862   2.327   3.129
  283    H    SER  44           H        SER  44  -6.575   6.029   1.714
  284    HA   SER  44           HA       SER  44  -6.468   8.420   3.385
  285   1HB   SER  44          2HB       SER  44  -4.612   6.840   1.907
  286   2HB   SER  44          1HB       SER  44  -4.516   8.485   1.284
  287    HG   SER  44           HG       SER  44  -4.445   9.101   3.590
  288    H    ASN  45           H        ASN  45  -7.941   7.696   0.442
  289    HA   ASN  45           HA       ASN  45  -9.113   9.124  -1.025
  290   1HB   ASN  45          2HB       ASN  45  -8.861  10.654   1.244
  291   2HB   ASN  45          1HB       ASN  45  -8.021  11.642   0.049
  292   1HD2  ASN  45          1HD2      ASN  45 -10.683  12.187   1.286
  293   2HD2  ASN  45          2HD2      ASN  45 -11.785  12.265  -0.003
  294    H    GLY  46           H        GLY  46  -6.019   8.483  -0.951
  295   1HA   GLY  46          2HA       GLY  46  -4.567   8.619  -2.869
  296   2HA   GLY  46          1HA       GLY  46  -5.458  10.045  -3.409
  297    H    THR  47           H        THR  47  -4.704  10.029  -0.074
  298    HA   THR  47           HA       THR  47  -2.668  12.144  -0.556
  299    HB   THR  47           HB       THR  47  -4.687  12.502   0.977
  300    HG1  THR  47           1HG      THR  47  -2.309  12.773   2.429
  301   1HG2  THR  47          1HG2      THR  47  -4.984  11.226   2.825
  302   2HG2  THR  47          2HG2      THR  47  -3.264  11.235   3.211
  303   3HG2  THR  47          3HG2      THR  47  -3.896  10.084   2.036
  304    H    LEU  48           H        LEU  48  -2.456   8.994  -0.470
  305    HA   LEU  48           HA       LEU  48   0.062   9.015   1.134
  306   1HB   LEU  48          2HB       LEU  48  -1.636   7.896   2.499
  307   2HB   LEU  48          1HB       LEU  48  -2.077   6.860   1.142
  308    HG   LEU  48           HG       LEU  48   0.774   6.733   1.606
  309   1HD1  LEU  48          1HD1      LEU  48  -0.721   5.550   3.903
  310   2HD1  LEU  48          2HD1      LEU  48  -0.373   7.277   3.964
  311   3HD1  LEU  48          3HD1      LEU  48   0.947   6.115   3.822
  312   1HD2  LEU  48          1HD2      LEU  48  -1.176   5.121   0.614
  313   2HD2  LEU  48          2HD2      LEU  48  -1.000   4.435   2.229
  314   3HD2  LEU  48          3HD2      LEU  48   0.394   4.521   1.151
  315    H    THR  49           H        THR  49   1.744   8.359  -0.173
  316    HA   THR  49           HA       THR  49   1.205   6.252  -2.174
  317    HB   THR  49           HB       THR  49   2.409   7.561  -3.937
  318    HG1  THR  49           1HG      THR  49   2.971   9.156  -2.090
  319   1HG2  THR  49          1HG2      THR  49   0.020   9.198  -3.397
  320   2HG2  THR  49          2HG2      THR  49  -0.256   7.460  -3.287
  321   3HG2  THR  49          3HG2      THR  49   0.385   8.157  -4.773
  322    H    LEU  50           H        LEU  50   2.870   4.962  -2.495
  323    HA   LEU  50           HA       LEU  50   4.970   4.528  -0.824
  324   1HB   LEU  50          2HB       LEU  50   4.451   2.993  -2.624
  325   2HB   LEU  50          1HB       LEU  50   4.966   4.173  -3.828
  326    HG   LEU  50           HG       LEU  50   7.245   4.125  -2.564
  327   1HD1  LEU  50          1HD1      LEU  50   5.723   2.216  -1.069
  328   2HD1  LEU  50          2HD1      LEU  50   7.396   2.713  -0.822
  329   3HD1  LEU  50          3HD1      LEU  50   7.027   1.362  -1.893
  330   1HD2  LEU  50          1HD2      LEU  50   7.452   3.253  -4.678
  331   2HD2  LEU  50          2HD2      LEU  50   6.059   2.188  -4.486
  332   3HD2  LEU  50          3HD2      LEU  50   7.614   1.740  -3.783
  333    H    SER  51           H        SER  51   6.922   5.373  -0.368
  334    HA   SER  51           HA       SER  51   8.027   7.465  -2.181
  335   1HB   SER  51          2HB       SER  51   6.863   8.354  -0.040
  336   2HB   SER  51          1HB       SER  51   8.241   7.673   0.817
  337    HG   SER  51           HG       SER  51   8.167   9.715  -1.132
  338    H    HIS  52           H        HIS  52   8.459   4.499  -0.886
  339    HA   HIS  52           HA       HIS  52  11.205   4.315  -1.497
  340   1HB   HIS  52          2HB       HIS  52  12.083   5.295   0.374
  341   2HB   HIS  52          1HB       HIS  52  10.550   5.229   1.235
  342    HD1  HIS  52           1HD      HIS  52  12.427   2.215  -0.100
  343    HD2  HIS  52           2HD      HIS  52  11.440   3.941   3.560
  344    HE1  HIS  52           1HE      HIS  52  12.952   0.490   1.662
  345    H    PHE  53           H        PHE  53  11.358   2.256  -2.012
  346    HA   PHE  53           HA       PHE  53   9.574   0.259  -2.076
  347   1HB   PHE  53          2HB       PHE  53  12.416   0.334  -2.101
  348   2HB   PHE  53          1HB       PHE  53  11.926  -1.043  -1.111
  349    HD1  PHE  53           1HD      PHE  53  12.102  -2.969  -2.436
  350    HD2  PHE  53           2HD      PHE  53  10.303   0.568  -4.079
  351    HE1  PHE  53           1HE      PHE  53  11.493  -4.230  -4.483
  352    HE2  PHE  53           2HE      PHE  53   9.695  -0.692  -6.126
  353    HZ   PHE  53           HZ       PHE  53  10.290  -3.091  -6.329
  354    H    GLY  54           H        GLY  54   8.878  -1.466  -0.797
  355   1HA   GLY  54          2HA       GLY  54   7.825  -1.069   1.658
  356   2HA   GLY  54          1HA       GLY  54   8.379  -2.666   1.172
  357    H    LYS  55           H        LYS  55  10.717  -3.135   1.609
  358    HA   LYS  55           HA       LYS  55  11.486  -3.237   4.159
  359   1HB   LYS  55          2HB       LYS  55  13.894  -3.003   3.451
  360   2HB   LYS  55          1HB       LYS  55  12.947  -4.122   2.470
  361   1HG   LYS  55          2HG       LYS  55  13.149  -2.841   0.613
  362   2HG   LYS  55          1HG       LYS  55  12.836  -1.354   1.505
  363   1HD   LYS  55          2HD       LYS  55  15.143  -1.445   0.536
  364   2HD   LYS  55          1HD       LYS  55  15.136  -1.279   2.292
  365   1HE   LYS  55          2HE       LYS  55  15.076  -4.076   1.447
  366   2HE   LYS  55          1HE       LYS  55  16.500  -3.226   0.847
  367   1HZ   LYS  55          1HZ       LYS  55  17.368  -3.217   2.867
  368   2HZ   LYS  55          2HZ       LYS  55  16.084  -4.195   3.398
  369   3HZ   LYS  55          3HZ       LYS  55  15.979  -2.505   3.531
  370    H    CYS  56           H        CYS  56  10.647  -1.419   5.368
  371    HA   CYS  56           HA       CYS  56  12.100   1.153   5.011
  372   1HB   CYS  56          2HB       CYS  56   9.455   0.384   6.010
  373   2HB   CYS  56          1HB       CYS  56  10.292   1.504   7.084
  Start of MODEL   10
    1   1H    ALA   3          1HT       ALA   3   8.897  10.631  -9.654
    2   2H    ALA   3          2HT       ALA   3   8.478  12.271  -9.502
    3   3H    ALA   3          3HT       ALA   3   8.658  11.577 -11.042
    4    HA   ALA   3           HA       ALA   3   6.396  11.550  -9.259
    5   1HB   ALA   3          1HB       ALA   3   5.206  11.256 -11.373
    6   2HB   ALA   3          2HB       ALA   3   6.717  10.889 -12.204
    7   3HB   ALA   3          3HB       ALA   3   6.433  12.508 -11.566
    8    H    VAL   4           H        VAL   4   5.446   9.756  -8.406
    9    HA   VAL   4           HA       VAL   4   6.666   7.126  -8.978
   10    HB   VAL   4           HB       VAL   4   6.201   7.829  -6.629
   11   1HG1  VAL   4          1HG1      VAL   4   4.120   9.106  -7.170
   12   2HG1  VAL   4          2HG1      VAL   4   3.893   7.958  -5.850
   13   3HG1  VAL   4          3HG1      VAL   4   3.296   7.575  -7.464
   14   1HG2  VAL   4          1HG2      VAL   4   5.666   5.682  -5.984
   15   2HG2  VAL   4          2HG2      VAL   4   5.956   5.371  -7.695
   16   3HG2  VAL   4          3HG2      VAL   4   4.307   5.575  -7.104
   17    H    SER   5           H        SER   5   5.377   5.304  -9.663
   18    HA   SER   5           HA       SER   5   2.815   6.089 -10.997
   19   1HB   SER   5          2HB       SER   5   4.868   4.061 -11.930
   20   2HB   SER   5          1HB       SER   5   3.340   4.410 -12.732
   21    HG   SER   5           HG       SER   5   4.744   5.713 -13.741
   22    H    VAL   6           H        VAL   6   1.247   5.223  -9.694
   23    HA   VAL   6           HA       VAL   6   1.661   2.425  -8.723
   24    HB   VAL   6           HB       VAL   6   1.346   4.126  -6.937
   25   1HG1  VAL   6          1HG1      VAL   6  -0.736   4.985  -8.757
   26   2HG1  VAL   6          2HG1      VAL   6  -0.086   5.817  -7.344
   27   3HG1  VAL   6          3HG1      VAL   6  -1.412   4.668  -7.158
   28   1HG2  VAL   6          1HG2      VAL   6  -0.807   2.058  -7.415
   29   2HG2  VAL   6          2HG2      VAL   6  -0.756   3.011  -5.931
   30   3HG2  VAL   6          3HG2      VAL   6   0.592   1.952  -6.347
   31    H    ASP   7           H        ASP   7  -0.037   0.921  -9.046
   32    HA   ASP   7           HA       ASP   7  -2.035   1.775 -11.097
   33   1HB   ASP   7          2HB       ASP   7  -0.415  -0.663 -10.704
   34   2HB   ASP   7          1HB       ASP   7  -2.105  -0.967 -11.109
   35    H    CYS   8           H        CYS   8  -3.458   2.587  -9.386
   36    HA   CYS   8           HA       CYS   8  -4.727   0.399  -7.788
   37   1HB   CYS   8          2HB       CYS   8  -4.640   3.385  -7.256
   38   2HB   CYS   8          1HB       CYS   8  -5.495   2.205  -6.263
   39    H    SER   9           H        SER   9  -5.336   1.100 -10.582
   40    HA   SER   9           HA       SER   9  -7.556   2.715 -10.997
   41   1HB   SER   9          2HB       SER   9  -6.538   0.218 -12.247
   42   2HB   SER   9          1HB       SER   9  -8.216   0.630 -12.585
   43    HG   SER   9           HG       SER   9  -7.577   2.515 -13.486
   44    H    GLU  10           H        GLU  10  -8.916   2.708  -9.202
   45    HA   GLU  10           HA       GLU  10 -10.569   1.960  -7.732
   46   1HB   GLU  10          2HB       GLU  10 -12.448   0.838  -8.800
   47   2HB   GLU  10          1HB       GLU  10 -11.815   2.074  -9.880
   48   1HG   GLU  10          2HG       GLU  10 -10.760  -0.717 -10.153
   49   2HG   GLU  10          1HG       GLU  10 -12.368  -0.365 -10.765
   50    H    TYR  11           H        TYR  11  -8.551   0.767  -6.814
   51    HA   TYR  11           HA       TYR  11  -9.213  -2.153  -6.711
   52   1HB   TYR  11          2HB       TYR  11  -6.966  -1.352  -7.775
   53   2HB   TYR  11          1HB       TYR  11  -6.472  -1.070  -6.106
   54    HD1  TYR  11           1HD      TYR  11  -8.552  -3.742  -7.728
   55    HD2  TYR  11           2HD      TYR  11  -5.068  -2.794  -5.400
   56    HE1  TYR  11           1HE      TYR  11  -8.072  -6.160  -7.464
   57    HE2  TYR  11           2HE      TYR  11  -4.588  -5.214  -5.135
   58    HH   TYR  11           HH       TYR  11  -6.867  -7.662  -6.166
   59    HA   PRO  12           HA       PRO  12  -9.197  -0.149  -2.409
   60   1HB   PRO  12          2HB       PRO  12 -11.908   0.014  -2.000
   61   2HB   PRO  12          1HB       PRO  12 -10.939   1.346  -2.656
   62   1HG   PRO  12          2HG       PRO  12 -12.798  -0.512  -4.085
   63   2HG   PRO  12          1HG       PRO  12 -12.377   1.165  -4.465
   64   1HD   PRO  12          2HD       PRO  12 -11.339  -1.091  -5.778
   65   2HD   PRO  12          1HD       PRO  12 -10.637   0.541  -5.802
   66    H    LYS  13           H        LYS  13  -8.578  -2.121  -1.441
   67    HA   LYS  13           HA       LYS  13 -10.640  -3.790  -0.351
   68   1HB   LYS  13          2HB       LYS  13 -10.228  -5.861  -1.528
   69   2HB   LYS  13          1HB       LYS  13 -10.615  -4.625  -2.724
   70   1HG   LYS  13          2HG       LYS  13  -8.068  -4.267  -2.913
   71   2HG   LYS  13          1HG       LYS  13  -7.917  -5.803  -2.055
   72   1HD   LYS  13          2HD       LYS  13  -9.674  -5.553  -4.491
   73   2HD   LYS  13          1HD       LYS  13  -7.948  -5.884  -4.639
   74   1HE   LYS  13          2HE       LYS  13  -8.177  -7.873  -3.228
   75   2HE   LYS  13          1HE       LYS  13  -9.891  -7.529  -2.991
   76   1HZ   LYS  13          1HZ       LYS  13  -9.880  -7.543  -5.590
   77   2HZ   LYS  13          2HZ       LYS  13  -9.986  -8.996  -4.716
   78   3HZ   LYS  13          3HZ       LYS  13  -8.500  -8.505  -5.380
   79    H    CYS  14           H        CYS  14  -9.635  -3.692   1.607
   80    HA   CYS  14           HA       CYS  14  -6.739  -4.149   1.839
   81   1HB   CYS  14          2HB       CYS  14  -8.910  -3.166   3.578
   82   2HB   CYS  14          1HB       CYS  14  -7.692  -4.134   4.408
   83    H    ALA  15           H        ALA  15  -8.476  -6.360   0.853
   84    HA   ALA  15           HA       ALA  15  -7.736  -8.357   2.939
   85   1HB   ALA  15          1HB       ALA  15 -10.219  -8.718   1.287
   86   2HB   ALA  15          2HB       ALA  15 -10.277  -7.717   2.737
   87   3HB   ALA  15          3HB       ALA  15  -9.817  -9.416   2.856
   88    H    CYS  16           H        CYS  16  -5.880  -8.254   1.218
   89    HA   CYS  16           HA       CYS  16  -6.540  -9.891  -1.184
   90   1HB   CYS  16          2HB       CYS  16  -4.460  -7.907  -0.495
   91   2HB   CYS  16          1HB       CYS  16  -3.886  -9.298  -1.413
   92    H    THR  17           H        THR  17  -4.407 -11.298  -1.712
   93    HA   THR  17           HA       THR  17  -4.348 -13.312   0.405
   94    HB   THR  17           HB       THR  17  -2.635 -13.321  -2.082
   95    HG1  THR  17           1HG      THR  17  -4.610 -14.523  -2.863
   96   1HG2  THR  17          1HG2      THR  17  -2.992 -15.754  -1.891
   97   2HG2  THR  17          2HG2      THR  17  -4.007 -15.494  -0.473
   98   3HG2  THR  17          3HG2      THR  17  -2.290 -15.102  -0.410
   99    H    MET  18           H        MET  18  -1.308 -13.572  -0.818
  100    HA   MET  18           HA       MET  18  -0.127 -11.624   1.094
  101   1HB   MET  18          2HB       MET  18  -0.365 -14.377   1.621
  102   2HB   MET  18          1HB       MET  18   1.317 -14.136   1.149
  103   1HG   MET  18          2HG       MET  18   1.756 -13.230   3.160
  104   2HG   MET  18          1HG       MET  18   0.562 -11.969   2.854
  105   1HE   MET  18          1HE       MET  18   0.089 -12.811   6.287
  106   2HE   MET  18          2HE       MET  18   1.534 -12.856   5.279
  107   3HE   MET  18          3HE       MET  18   0.961 -14.332   6.051
  108    H    GLU  19           H        GLU  19  -0.237 -11.672  -1.848
  109    HA   GLU  19           HA       GLU  19   2.004 -12.654  -3.168
  110   1HB   GLU  19          2HB       GLU  19   0.073 -10.708  -3.717
  111   2HB   GLU  19          1HB       GLU  19   1.604  -9.837  -3.820
  112   1HG   GLU  19          2HG       GLU  19   2.231 -10.929  -5.705
  113   2HG   GLU  19          1HG       GLU  19   1.681 -12.487  -5.086
  114    H    TYR  20           H        TYR  20   4.208 -12.001  -3.318
  115    HA   TYR  20           HA       TYR  20   5.128 -10.468  -0.973
  116   1HB   TYR  20          2HB       TYR  20   6.167 -12.676  -2.111
  117   2HB   TYR  20          1HB       TYR  20   7.088 -11.434  -2.963
  118    HD1  TYR  20           1HD      TYR  20   8.050  -9.495  -1.470
  119    HD2  TYR  20           2HD      TYR  20   6.900 -13.359   0.015
  120    HE1  TYR  20           1HE      TYR  20   9.471  -9.149   0.531
  121    HE2  TYR  20           2HE      TYR  20   8.323 -13.010   2.017
  122    HH   TYR  20           HH       TYR  20  10.699 -10.922   2.238
  123    H    ARG  21           H        ARG  21   4.915  -8.347  -1.296
  124    HA   ARG  21           HA       ARG  21   6.595  -7.050  -3.318
  125   1HB   ARG  21          2HB       ARG  21   4.085  -5.641  -3.339
  126   2HB   ARG  21          1HB       ARG  21   4.958  -6.325  -4.700
  127   1HG   ARG  21          2HG       ARG  21   3.316  -8.108  -2.910
  128   2HG   ARG  21          1HG       ARG  21   2.535  -7.171  -4.179
  129   1HD   ARG  21          2HD       ARG  21   4.101  -9.613  -4.406
  130   2HD   ARG  21          1HD       ARG  21   3.057  -8.847  -5.593
  131    HE   ARG  21           HE       ARG  21   5.862  -7.896  -5.188
  132   1HH1  ARG  21          1HH2      ARG  21   4.754 -10.243  -7.068
  133   2HH1  ARG  21          2HH2      ARG  21   4.894  -9.434  -8.592
  134   1HH2  ARG  21          1HH1      ARG  21   5.397  -6.305  -7.184
  135   2HH2  ARG  21          2HH1      ARG  21   5.260  -7.205  -8.658
  136    HA   PRO  22           HA       PRO  22   6.600  -5.025   0.745
  137   1HB   PRO  22          2HB       PRO  22   9.265  -4.360   0.626
  138   2HB   PRO  22          1HB       PRO  22   8.667  -5.929   1.193
  139   1HG   PRO  22          2HG       PRO  22   9.956  -5.240  -1.411
  140   2HG   PRO  22          1HG       PRO  22   9.956  -6.778  -0.532
  141   1HD   PRO  22          2HD       PRO  22   8.348  -6.172  -2.768
  142   2HD   PRO  22          1HD       PRO  22   8.091  -7.526  -1.646
  143    H    LEU  23           H        LEU  23   5.817  -2.968   0.791
  144    HA   LEU  23           HA       LEU  23   7.086  -0.946  -1.011
  145   1HB   LEU  23          2HB       LEU  23   4.145  -1.145  -0.292
  146   2HB   LEU  23          1HB       LEU  23   4.879   0.127  -1.270
  147    HG   LEU  23           HG       LEU  23   5.552  -2.556  -2.226
  148   1HD1  LEU  23          1HD1      LEU  23   3.199  -2.849  -1.270
  149   2HD1  LEU  23          2HD1      LEU  23   3.383  -3.218  -2.985
  150   3HD1  LEU  23          3HD1      LEU  23   2.666  -1.685  -2.484
  151   1HD2  LEU  23          1HD2      LEU  23   3.985  -0.712  -3.907
  152   2HD2  LEU  23          2HD2      LEU  23   5.564  -1.438  -4.208
  153   3HD2  LEU  23          3HD2      LEU  23   5.435   0.013  -3.213
  154    H    CYS  24           H        CYS  24   8.038   0.604   0.236
  155    HA   CYS  24           HA       CYS  24   7.168   0.916   3.044
  156   1HB   CYS  24          2HB       CYS  24   9.579   0.903   2.642
  157   2HB   CYS  24          1HB       CYS  24   9.421   2.211   1.469
  158    H    GLY  25           H        GLY  25   5.073   1.835   2.588
  159   1HA   GLY  25          2HA       GLY  25   4.428   3.961   0.917
  160   2HA   GLY  25          1HA       GLY  25   3.653   3.707   2.481
  161    H    SER  26           H        SER  26   4.470   6.239   1.098
  162    HA   SER  26           HA       SER  26   6.746   7.441   2.237
  163   1HB   SER  26          2HB       SER  26   5.224   8.467   0.513
  164   2HB   SER  26          1HB       SER  26   4.074   8.803   1.805
  165    HG   SER  26           HG       SER  26   5.823   9.956   2.844
  166    H    ASP  27           H        ASP  27   3.888   6.371   3.832
  167    HA   ASP  27           HA       ASP  27   4.126   8.213   6.095
  168   1HB   ASP  27          2HB       ASP  27   2.264   7.037   7.023
  169   2HB   ASP  27          1HB       ASP  27   1.961   7.134   5.288
  170    H    ASN  28           H        ASN  28   6.319   6.155   5.242
  171    HA   ASN  28           HA       ASN  28   7.976   4.976   6.405
  172   1HB   ASN  28          2HB       ASN  28   6.851   6.815   8.277
  173   2HB   ASN  28          1HB       ASN  28   7.098   5.281   9.109
  174   1HD2  ASN  28          1HD2      ASN  28   8.675   7.841   9.367
  175   2HD2  ASN  28          2HD2      ASN  28  10.279   7.416   9.007
  176    H    LYS  29           H        LYS  29   5.523   3.627   5.562
  177    HA   LYS  29           HA       LYS  29   5.438   1.521   7.666
  178   1HB   LYS  29          2HB       LYS  29   3.321   2.956   7.331
  179   2HB   LYS  29          1HB       LYS  29   3.147   2.094   5.801
  180   1HG   LYS  29          2HG       LYS  29   1.896   0.836   7.381
  181   2HG   LYS  29          1HG       LYS  29   3.401  -0.053   7.150
  182   1HD   LYS  29          2HD       LYS  29   3.193  -0.004   9.489
  183   2HD   LYS  29          1HD       LYS  29   4.266   1.357   9.166
  184   1HE   LYS  29          2HE       LYS  29   2.699   2.341  10.583
  185   2HE   LYS  29          1HE       LYS  29   2.014   2.715   9.000
  186   1HZ   LYS  29          1HZ       LYS  29   1.149   0.167   9.788
  187   2HZ   LYS  29          2HZ       LYS  29   0.221   1.565   9.527
  188   3HZ   LYS  29          3HZ       LYS  29   0.861   1.242  11.067
  189    H    THR  30           H        THR  30   5.264  -0.653   6.899
  190    HA   THR  30           HA       THR  30   6.128  -0.963   4.054
  191    HB   THR  30           HB       THR  30   6.646  -2.664   6.507
  192    HG1  THR  30           1HG      THR  30   8.721  -2.076   6.141
  193   1HG2  THR  30          1HG2      THR  30   6.143  -4.149   4.635
  194   2HG2  THR  30          2HG2      THR  30   7.877  -4.170   4.953
  195   3HG2  THR  30          3HG2      THR  30   7.242  -3.245   3.592
  196    H    TYR  31           H        TYR  31   4.770  -2.096   2.714
  197    HA   TYR  31           HA       TYR  31   2.434  -3.433   3.985
  198   1HB   TYR  31          2HB       TYR  31   2.849  -2.116   1.301
  199   2HB   TYR  31          1HB       TYR  31   1.477  -3.170   1.622
  200    HD1  TYR  31           1HD      TYR  31   2.246   0.131   1.410
  201    HD2  TYR  31           2HD      TYR  31   0.562  -2.624   4.243
  202    HE1  TYR  31           1HE      TYR  31   1.076   2.005   2.537
  203    HE2  TYR  31           2HE      TYR  31  -0.607  -0.751   5.371
  204    HH   TYR  31           HH       TYR  31  -0.238   1.785   5.580
  205    H    GLY  32           H        GLY  32   1.720  -5.466   3.015
  206   1HA   GLY  32          2HA       GLY  32   3.978  -7.177   2.311
  207   2HA   GLY  32          1HA       GLY  32   2.305  -7.698   2.503
  208    H    ASN  33           H        ASN  33   1.725  -5.295   0.513
  209    HA   ASN  33           HA       ASN  33   2.906  -6.081  -1.974
  210   1HB   ASN  33          2HB       ASN  33   0.871  -7.169  -2.977
  211   2HB   ASN  33          1HB       ASN  33   1.665  -8.140  -1.736
  212   1HD2  ASN  33          1HD2      ASN  33  -0.300  -9.257  -1.112
  213   2HD2  ASN  33          2HD2      ASN  33  -1.564  -8.460  -0.307
  214    H    LYS  34           H        LYS  34   1.832  -5.014  -3.821
  215    HA   LYS  34           HA       LYS  34   1.076  -2.340  -3.207
  216   1HB   LYS  34          2HB       LYS  34   0.318  -2.334  -5.676
  217   2HB   LYS  34          1HB       LYS  34   2.016  -2.676  -5.351
  218   1HG   LYS  34          2HG       LYS  34   1.694  -5.031  -5.653
  219   2HG   LYS  34          1HG       LYS  34  -0.062  -4.856  -5.653
  220   1HD   LYS  34          2HD       LYS  34   0.090  -3.519  -7.737
  221   2HD   LYS  34          1HD       LYS  34   1.838  -3.755  -7.747
  222   1HE   LYS  34          2HE       LYS  34   0.936  -6.332  -7.465
  223   2HE   LYS  34          1HE       LYS  34  -0.313  -5.629  -8.492
  224   1HZ   LYS  34          1HZ       LYS  34   2.613  -5.609  -8.997
  225   2HZ   LYS  34          2HZ       LYS  34   1.464  -4.796  -9.951
  226   3HZ   LYS  34          3HZ       LYS  34   1.444  -6.493  -9.851
  227    H    CYS  35           H        CYS  35  -0.784  -5.197  -3.067
  228    HA   CYS  35           HA       CYS  35  -3.337  -4.052  -3.816
  229   1HB   CYS  35          2HB       CYS  35  -2.986  -6.502  -3.716
  230   2HB   CYS  35          1HB       CYS  35  -2.724  -6.388  -1.975
  231    H    ASN  36           H        ASN  36  -1.488  -4.334  -0.827
  232    HA   ASN  36           HA       ASN  36  -3.535  -3.149   0.829
  233   1HB   ASN  36          2HB       ASN  36  -0.892  -4.365   1.088
  234   2HB   ASN  36          1HB       ASN  36  -1.057  -2.933   2.086
  235   1HD2  ASN  36          1HD2      ASN  36  -3.932  -3.213   2.567
  236   2HD2  ASN  36          2HD2      ASN  36  -4.142  -4.568   3.562
  237    H    PHE  37           H        PHE  37  -0.985  -2.111  -1.247
  238    HA   PHE  37           HA       PHE  37  -0.618   0.525  -0.067
  239   1HB   PHE  37          2HB       PHE  37   1.113  -0.641  -1.466
  240   2HB   PHE  37          1HB       PHE  37   0.057  -0.441  -2.863
  241    HD1  PHE  37           1HD      PHE  37   0.589   1.332  -4.254
  242    HD2  PHE  37           2HD      PHE  37   1.298   1.710  -0.033
  243    HE1  PHE  37           1HE      PHE  37   1.483   3.617  -4.610
  244    HE2  PHE  37           2HE      PHE  37   2.193   3.997  -0.389
  245    HZ   PHE  37           HZ       PHE  37   2.284   4.949  -2.678
  246    H    CYS  38           H        CYS  38  -2.626  -0.902  -2.580
  247    HA   CYS  38           HA       CYS  38  -3.640   1.679  -3.510
  248   1HB   CYS  38          2HB       CYS  38  -4.426  -1.196  -4.027
  249   2HB   CYS  38          1HB       CYS  38  -5.358   0.157  -4.669
  250    H    CYS  39           H        CYS  39  -4.376  -0.604  -1.015
  251    HA   CYS  39           HA       CYS  39  -7.127   0.314  -0.623
  252   1HB   CYS  39          2HB       CYS  39  -6.560  -1.958   0.041
  253   2HB   CYS  39          1HB       CYS  39  -5.287  -1.363   1.107
  254    H    ALA  40           H        ALA  40  -4.017   0.744   1.045
  255    HA   ALA  40           HA       ALA  40  -5.023   2.582   3.018
  256   1HB   ALA  40          1HB       ALA  40  -2.582   3.229   3.235
  257   2HB   ALA  40          2HB       ALA  40  -2.239   2.133   1.896
  258   3HB   ALA  40          3HB       ALA  40  -2.892   1.500   3.407
  259    H    VAL  41           H        VAL  41  -4.121   2.852  -0.317
  260    HA   VAL  41           HA       VAL  41  -3.786   5.751  -0.296
  261    HB   VAL  41           HB       VAL  41  -4.074   3.683  -2.486
  262   1HG1  VAL  41          1HG1      VAL  41  -3.579   5.602  -4.056
  263   2HG1  VAL  41          2HG1      VAL  41  -3.925   6.701  -2.721
  264   3HG1  VAL  41          3HG1      VAL  41  -5.192   5.644  -3.344
  265   1HG2  VAL  41          1HG2      VAL  41  -1.914   4.504  -0.990
  266   2HG2  VAL  41          2HG2      VAL  41  -1.792   5.545  -2.408
  267   3HG2  VAL  41          3HG2      VAL  41  -1.804   3.792  -2.601
  268    H    VAL  42           H        VAL  42  -6.367   3.447  -0.988
  269    HA   VAL  42           HA       VAL  42  -8.229   5.609  -1.730
  270    HB   VAL  42           HB       VAL  42  -8.592   2.614  -1.410
  271   1HG1  VAL  42          1HG1      VAL  42 -10.775   3.200  -1.112
  272   2HG1  VAL  42          2HG1      VAL  42 -10.737   3.481  -2.852
  273   3HG1  VAL  42          3HG1      VAL  42 -10.523   4.830  -1.736
  274   1HG2  VAL  42          1HG2      VAL  42  -9.142   3.298  -4.013
  275   2HG2  VAL  42          2HG2      VAL  42  -7.583   2.698  -3.448
  276   3HG2  VAL  42          3HG2      VAL  42  -7.854   4.434  -3.611
  277    H    GLU  43           H        GLU  43  -7.094   4.205   1.119
  278    HA   GLU  43           HA       GLU  43  -9.618   4.509   2.615
  279   1HB   GLU  43          2HB       GLU  43  -6.948   3.326   3.109
  280   2HB   GLU  43          1HB       GLU  43  -7.721   4.058   4.515
  281   1HG   GLU  43          2HG       GLU  43  -9.592   2.469   2.934
  282   2HG   GLU  43          1HG       GLU  43  -8.231   1.511   3.520
  283    H    SER  44           H        SER  44  -6.651   6.292   2.036
  284    HA   SER  44           HA       SER  44  -7.363   8.208   4.197
  285   1HB   SER  44          2HB       SER  44  -4.889   7.305   3.025
  286   2HB   SER  44          1HB       SER  44  -5.015   9.055   2.874
  287    HG   SER  44           HG       SER  44  -5.723   8.888   5.194
  288    H    ASN  45           H        ASN  45  -8.746   7.934   1.495
  289    HA   ASN  45           HA       ASN  45  -9.840   9.512   0.126
  290   1HB   ASN  45          2HB       ASN  45  -9.102  11.029   2.271
  291   2HB   ASN  45          1HB       ASN  45  -8.190  11.815   0.982
  292   1HD2  ASN  45          1HD2      ASN  45 -10.520  12.981   2.353
  293   2HD2  ASN  45          2HD2      ASN  45 -11.719  13.206   1.172
  294    H    GLY  46           H        GLY  46  -7.194   8.164  -0.394
  295   1HA   GLY  46          2HA       GLY  46  -5.743   8.078  -2.250
  296   2HA   GLY  46          1HA       GLY  46  -6.668   9.406  -2.950
  297    H    THR  47           H        THR  47  -5.409   9.870   0.243
  298    HA   THR  47           HA       THR  47  -3.451  11.800  -0.916
  299    HB   THR  47           HB       THR  47  -5.303  12.518   0.742
  300    HG1  THR  47           1HG      THR  47  -3.605  13.866   0.257
  301   1HG2  THR  47          1HG2      THR  47  -4.035  10.512   2.295
  302   2HG2  THR  47          2HG2      THR  47  -5.335  11.594   2.789
  303   3HG2  THR  47          3HG2      THR  47  -3.654  12.057   3.053
  304    H    LEU  48           H        LEU  48  -2.911   8.924  -0.699
  305    HA   LEU  48           HA       LEU  48  -0.773   8.938   1.389
  306   1HB   LEU  48          2HB       LEU  48  -2.464   7.099   1.517
  307   2HB   LEU  48          1HB       LEU  48  -1.963   6.572  -0.090
  308    HG   LEU  48           HG       LEU  48   0.428   6.488   0.904
  309   1HD1  LEU  48          1HD1      LEU  48  -1.291   6.897   3.323
  310   2HD1  LEU  48          2HD1      LEU  48   0.327   7.511   2.985
  311   3HD1  LEU  48          3HD1      LEU  48   0.103   5.824   3.453
  312   1HD2  LEU  48          1HD2      LEU  48  -0.073   4.305   0.667
  313   2HD2  LEU  48          2HD2      LEU  48  -1.784   4.628   0.944
  314   3HD2  LEU  48          3HD2      LEU  48  -0.712   4.320   2.310
  315    H    THR  49           H        THR  49   1.344   8.113   0.742
  316    HA   THR  49           HA       THR  49   1.798   8.103  -2.206
  317    HB   THR  49           HB       THR  49   3.986   9.349  -1.608
  318    HG1  THR  49           1HG      THR  49   3.442  10.786   0.249
  319   1HG2  THR  49          1HG2      THR  49   1.331  10.220  -2.233
  320   2HG2  THR  49          2HG2      THR  49   2.865  10.947  -2.707
  321   3HG2  THR  49          3HG2      THR  49   2.095  11.423  -1.192
  322    H    LEU  50           H        LEU  50   4.507   7.705  -2.206
  323    HA   LEU  50           HA       LEU  50   4.841   5.129  -0.730
  324   1HB   LEU  50          2HB       LEU  50   4.596   4.832  -3.184
  325   2HB   LEU  50          1HB       LEU  50   5.946   5.935  -3.445
  326    HG   LEU  50           HG       LEU  50   7.430   4.406  -2.187
  327   1HD1  LEU  50          1HD1      LEU  50   6.490   2.073  -1.750
  328   2HD1  LEU  50          2HD1      LEU  50   4.888   2.774  -1.985
  329   3HD1  LEU  50          3HD1      LEU  50   5.915   3.342  -0.668
  330   1HD2  LEU  50          1HD2      LEU  50   7.474   2.591  -3.867
  331   2HD2  LEU  50          2HD2      LEU  50   7.227   4.162  -4.629
  332   3HD2  LEU  50          3HD2      LEU  50   5.863   3.064  -4.412
  333    H    SER  51           H        SER  51   7.236   4.641  -0.360
  334    HA   SER  51           HA       SER  51   8.834   7.145  -0.077
  335   1HB   SER  51          2HB       SER  51   7.693   5.644   2.051
  336   2HB   SER  51          1HB       SER  51   9.431   5.362   2.088
  337    HG   SER  51           HG       SER  51   9.537   7.269   2.947
  338    H    HIS  52           H        HIS  52   8.744   3.680  -0.598
  339    HA   HIS  52           HA       HIS  52  11.194   3.658  -2.035
  340   1HB   HIS  52          2HB       HIS  52  12.561   3.881  -0.190
  341   2HB   HIS  52          1HB       HIS  52  11.358   3.226   0.912
  342    HD1  HIS  52           1HD      HIS  52  11.138   0.595   1.002
  343    HD2  HIS  52           2HD      HIS  52  14.379   1.990  -1.216
  344    HE1  HIS  52           1HE      HIS  52  12.683  -1.379   0.680
  345    H    PHE  53           H        PHE  53  10.310   2.212  -3.459
  346    HA   PHE  53           HA       PHE  53   8.480   0.159  -3.008
  347   1HB   PHE  53          2HB       PHE  53  10.250   0.916  -5.117
  348   2HB   PHE  53          1HB       PHE  53  10.403  -0.825  -4.887
  349    HD1  PHE  53           1HD      PHE  53   8.136   1.920  -5.811
  350    HD2  PHE  53           2HD      PHE  53   8.480  -2.317  -5.189
  351    HE1  PHE  53           1HE      PHE  53   5.973   1.572  -6.974
  352    HE2  PHE  53           2HE      PHE  53   6.316  -2.663  -6.352
  353    HZ   PHE  53           HZ       PHE  53   5.063  -0.718  -7.244
  354    H    GLY  54           H        GLY  54   8.936  -0.863  -0.998
  355   1HA   GLY  54          2HA       GLY  54   9.988  -3.314  -0.804
  356   2HA   GLY  54          1HA       GLY  54  11.471  -2.360  -0.741
  357    H    LYS  55           H        LYS  55  11.310  -3.631   1.485
  358    HA   LYS  55           HA       LYS  55   9.535  -2.414   3.457
  359   1HB   LYS  55          2HB       LYS  55  10.232  -4.729   3.758
  360   2HB   LYS  55          1HB       LYS  55  11.930  -4.248   3.758
  361   1HG   LYS  55          2HG       LYS  55  10.548  -2.657   5.695
  362   2HG   LYS  55          1HG       LYS  55  10.141  -4.351   5.973
  363   1HD   LYS  55          2HD       LYS  55  12.995  -3.521   5.489
  364   2HD   LYS  55          1HD       LYS  55  12.286  -3.405   7.100
  365   1HE   LYS  55          2HE       LYS  55  11.785  -5.767   7.126
  366   2HE   LYS  55          1HE       LYS  55  12.245  -5.934   5.432
  367   1HZ   LYS  55          1HZ       LYS  55  14.502  -5.382   5.991
  368   2HZ   LYS  55          2HZ       LYS  55  13.989  -6.669   6.974
  369   3HZ   LYS  55          3HZ       LYS  55  14.083  -5.096   7.609
  370    H    CYS  56           H        CYS  56   9.921  -0.441   4.332
  371    HA   CYS  56           HA       CYS  56  12.703   0.297   4.993
  372   1HB   CYS  56          2HB       CYS  56  12.926   1.839   3.370
  373   2HB   CYS  56          1HB       CYS  56  11.407   1.288   2.684
  Start of MODEL   11
    1   1H    ALA   3          1HT       ALA   3   2.088  10.686  -9.546
    2   2H    ALA   3          2HT       ALA   3   0.963   9.412  -9.545
    3   3H    ALA   3          3HT       ALA   3   2.440   9.243 -10.367
    4    HA   ALA   3           HA       ALA   3   3.085   9.899  -7.751
    5   1HB   ALA   3          1HB       ALA   3   1.848   8.465  -6.388
    6   2HB   ALA   3          2HB       ALA   3   1.340   7.455  -7.742
    7   3HB   ALA   3          3HB       ALA   3   0.607   9.041  -7.501
    8    H    VAL   4           H        VAL   4   4.494   9.241  -9.998
    9    HA   VAL   4           HA       VAL   4   6.206   7.812 -10.724
   10    HB   VAL   4           HB       VAL   4   5.698   6.511  -8.031
   11   1HG1  VAL   4          1HG1      VAL   4   7.001   4.901  -9.009
   12   2HG1  VAL   4          2HG1      VAL   4   8.298   6.028  -8.609
   13   3HG1  VAL   4          3HG1      VAL   4   7.621   6.005 -10.238
   14   1HG2  VAL   4          1HG2      VAL   4   8.131   8.081  -8.380
   15   2HG2  VAL   4          2HG2      VAL   4   6.902   8.195  -7.120
   16   3HG2  VAL   4          3HG2      VAL   4   6.684   9.054  -8.645
   17    H    SER   5           H        SER   5   3.496   7.251 -11.514
   18    HA   SER   5           HA       SER   5   2.285   5.544 -12.579
   19   1HB   SER   5          2HB       SER   5   5.095   4.734 -12.675
   20   2HB   SER   5          1HB       SER   5   3.993   3.360 -12.701
   21    HG   SER   5           HG       SER   5   3.666   3.871 -14.706
   22    H    VAL   6           H        VAL   6   0.718   4.407 -11.535
   23    HA   VAL   6           HA       VAL   6   1.494   2.355  -9.556
   24    HB   VAL   6           HB       VAL   6   1.277   4.305  -8.131
   25   1HG1  VAL   6          1HG1      VAL   6  -0.247   5.963  -8.457
   26   2HG1  VAL   6          2HG1      VAL   6  -1.556   4.823  -8.773
   27   3HG1  VAL   6          3HG1      VAL   6  -0.429   5.250 -10.059
   28   1HG2  VAL   6          1HG2      VAL   6  -1.381   3.353  -7.493
   29   2HG2  VAL   6          2HG2      VAL   6   0.129   3.076  -6.625
   30   3HG2  VAL   6          3HG2      VAL   6  -0.345   1.998  -7.938
   31    H    ASP   7           H        ASP   7   0.496   0.693 -10.684
   32    HA   ASP   7           HA       ASP   7  -2.044   0.992 -12.033
   33   1HB   ASP   7          2HB       ASP   7  -0.145  -0.821 -12.321
   34   2HB   ASP   7          1HB       ASP   7  -1.049  -1.671 -11.067
   35    H    CYS   8           H        CYS   8  -3.601   1.764 -10.571
   36    HA   CYS   8           HA       CYS   8  -4.648  -0.239  -8.680
   37   1HB   CYS   8          2HB       CYS   8  -2.922   1.795  -7.758
   38   2HB   CYS   8          1HB       CYS   8  -4.547   2.315  -7.314
   39    H    SER   9           H        SER   9  -5.409   1.297 -11.155
   40    HA   SER   9           HA       SER   9  -7.222   3.326 -10.937
   41   1HB   SER   9          2HB       SER   9  -7.164   2.612 -13.107
   42   2HB   SER   9          1HB       SER   9  -7.048   0.915 -12.652
   43    HG   SER   9           HG       SER   9  -9.109   0.812 -12.996
   44    H    GLU  10           H        GLU  10  -8.187   3.226  -8.816
   45    HA   GLU  10           HA       GLU  10  -9.981   2.790  -7.369
   46   1HB   GLU  10          2HB       GLU  10 -11.351   1.306  -9.598
   47   2HB   GLU  10          1HB       GLU  10 -12.056   2.346  -8.360
   48   1HG   GLU  10          2HG       GLU  10 -12.027   4.007  -9.885
   49   2HG   GLU  10          1HG       GLU  10 -10.269   4.008  -9.725
   50    H    TYR  11           H        TYR  11  -8.246   1.190  -6.521
   51    HA   TYR  11           HA       TYR  11  -9.391  -1.575  -6.692
   52   1HB   TYR  11          2HB       TYR  11  -6.761  -0.684  -7.346
   53   2HB   TYR  11          1HB       TYR  11  -6.648  -1.679  -5.893
   54    HD1  TYR  11           1HD      TYR  11  -8.077  -1.608  -9.344
   55    HD2  TYR  11           2HD      TYR  11  -6.844  -4.032  -6.019
   56    HE1  TYR  11           1HE      TYR  11  -8.384  -3.650 -10.717
   57    HE2  TYR  11           2HE      TYR  11  -7.153  -6.072  -7.393
   58    HH   TYR  11           HH       TYR  11  -7.679  -5.926 -10.804
   59    HA   PRO  12           HA       PRO  12  -9.210  -0.134  -2.243
   60   1HB   PRO  12          2HB       PRO  12 -11.919  -0.123  -1.804
   61   2HB   PRO  12          1HB       PRO  12 -11.020   1.295  -2.369
   62   1HG   PRO  12          2HG       PRO  12 -12.837  -0.508  -3.903
   63   2HG   PRO  12          1HG       PRO  12 -12.444   1.194  -4.190
   64   1HD   PRO  12          2HD       PRO  12 -11.373  -1.010  -5.604
   65   2HD   PRO  12          1HD       PRO  12 -10.755   0.654  -5.633
   66    H    LYS  13           H        LYS  13  -8.424  -2.263  -1.676
   67    HA   LYS  13           HA       LYS  13 -10.371  -4.047  -0.536
   68   1HB   LYS  13          2HB       LYS  13  -9.419  -5.959  -2.188
   69   2HB   LYS  13          1HB       LYS  13 -10.907  -5.073  -2.517
   70   1HG   LYS  13          2HG       LYS  13  -9.735  -3.516  -3.957
   71   2HG   LYS  13          1HG       LYS  13  -8.177  -4.212  -3.512
   72   1HD   LYS  13          2HD       LYS  13  -8.375  -5.772  -5.119
   73   2HD   LYS  13          1HD       LYS  13  -9.915  -6.308  -4.445
   74   1HE   LYS  13          2HE       LYS  13 -10.035  -3.751  -5.921
   75   2HE   LYS  13          1HE       LYS  13  -9.643  -5.159  -6.909
   76   1HZ   LYS  13          1HZ       LYS  13 -11.636  -6.146  -6.463
   77   2HZ   LYS  13          2HZ       LYS  13 -12.110  -4.516  -6.419
   78   3HZ   LYS  13          3HZ       LYS  13 -11.835  -5.364  -4.971
   79    H    CYS  14           H        CYS  14  -9.085  -4.195   1.282
   80    HA   CYS  14           HA       CYS  14  -6.230  -4.931   0.909
   81   1HB   CYS  14          2HB       CYS  14  -6.568  -4.839   3.640
   82   2HB   CYS  14          1HB       CYS  14  -5.985  -3.508   2.650
   83    H    ALA  15           H        ALA  15  -8.355  -6.818   0.304
   84    HA   ALA  15           HA       ALA  15  -8.128  -8.794   2.512
   85   1HB   ALA  15          1HB       ALA  15  -9.653  -9.140  -0.074
   86   2HB   ALA  15          2HB       ALA  15 -10.336  -8.279   1.306
   87   3HB   ALA  15          3HB       ALA  15  -9.900  -9.980   1.457
   88    H    CYS  16           H        CYS  16  -6.037  -7.917   0.346
   89    HA   CYS  16           HA       CYS  16  -5.566 -10.475  -1.032
   90   1HB   CYS  16          2HB       CYS  16  -3.911  -7.935  -0.960
   91   2HB   CYS  16          1HB       CYS  16  -3.610  -9.325  -2.003
   92    H    THR  17           H        THR  17  -3.728 -11.803  -0.643
   93    HA   THR  17           HA       THR  17  -1.873 -11.168   1.519
   94    HB   THR  17           HB       THR  17  -3.964 -11.958   2.709
   95    HG1  THR  17           1HG      THR  17  -2.011 -12.203   3.730
   96   1HG2  THR  17          1HG2      THR  17  -4.348 -13.696   0.785
   97   2HG2  THR  17          2HG2      THR  17  -4.774 -14.131   2.439
   98   3HG2  THR  17          3HG2      THR  17  -3.265 -14.713   1.736
   99    H    MET  18           H        MET  18  -1.968 -12.043  -1.364
  100    HA   MET  18           HA       MET  18  -0.587 -14.672  -1.169
  101   1HB   MET  18          2HB       MET  18  -2.419 -13.623  -3.024
  102   2HB   MET  18          1HB       MET  18  -0.868 -13.649  -3.866
  103   1HG   MET  18          2HG       MET  18  -0.658 -15.955  -3.702
  104   2HG   MET  18          1HG       MET  18  -1.663 -16.047  -2.255
  105   1HE   MET  18          1HE       MET  18  -4.153 -17.605  -2.951
  106   2HE   MET  18          2HE       MET  18  -5.062 -16.099  -3.045
  107   3HE   MET  18          3HE       MET  18  -3.676 -16.217  -1.964
  108    H    GLU  19           H        GLU  19  -0.078 -11.966  -3.425
  109    HA   GLU  19           HA       GLU  19   2.661 -12.336  -3.808
  110   1HB   GLU  19          2HB       GLU  19   0.760 -10.230  -4.305
  111   2HB   GLU  19          1HB       GLU  19   2.278  -9.530  -3.743
  112   1HG   GLU  19          2HG       GLU  19   3.437 -10.213  -5.592
  113   2HG   GLU  19          1HG       GLU  19   2.528 -11.718  -5.730
  114    H    TYR  20           H        TYR  20   4.417 -10.724  -3.010
  115    HA   TYR  20           HA       TYR  20   4.071 -10.001  -0.150
  116   1HB   TYR  20          2HB       TYR  20   5.014 -12.285  -0.163
  117   2HB   TYR  20          1HB       TYR  20   6.304 -11.719  -1.224
  118    HD1  TYR  20           1HD      TYR  20   4.907  -9.638   1.479
  119    HD2  TYR  20           2HD      TYR  20   8.117 -12.242   0.316
  120    HE1  TYR  20           1HE      TYR  20   6.217  -8.901   3.452
  121    HE2  TYR  20           2HE      TYR  20   9.428 -11.507   2.288
  122    HH   TYR  20           HH       TYR  20   9.267 -10.439   4.306
  123    H    ARG  21           H        ARG  21   4.119  -8.218  -2.104
  124    HA   ARG  21           HA       ARG  21   6.846  -7.253  -2.614
  125   1HB   ARG  21          2HB       ARG  21   4.156  -6.003  -3.248
  126   2HB   ARG  21          1HB       ARG  21   5.717  -5.439  -3.848
  127   1HG   ARG  21          2HG       ARG  21   4.573  -8.203  -4.344
  128   2HG   ARG  21          1HG       ARG  21   4.534  -6.875  -5.504
  129   1HD   ARG  21          2HD       ARG  21   6.574  -7.519  -6.204
  130   2HD   ARG  21          1HD       ARG  21   7.203  -7.026  -4.633
  131    HE   ARG  21           HE       ARG  21   6.188  -9.580  -4.201
  132   1HH1  ARG  21          1HH2      ARG  21   6.992  -9.909  -7.124
  133   2HH1  ARG  21          2HH2      ARG  21   8.606 -10.516  -6.959
  134   1HH2  ARG  21          1HH1      ARG  21   8.902  -9.583  -3.635
  135   2HH2  ARG  21          2HH1      ARG  21   9.688 -10.329  -4.986
  136    HA   PRO  22           HA       PRO  22   6.532  -4.933   1.238
  137   1HB   PRO  22          2HB       PRO  22   9.223  -4.390   1.376
  138   2HB   PRO  22          1HB       PRO  22   8.508  -5.921   1.913
  139   1HG   PRO  22          2HG       PRO  22  10.101  -5.352  -0.540
  140   2HG   PRO  22          1HG       PRO  22   9.902  -6.875   0.340
  141   1HD   PRO  22          2HD       PRO  22   8.588  -6.157  -2.067
  142   2HD   PRO  22          1HD       PRO  22   8.177  -7.528  -1.018
  143    H    LEU  23           H        LEU  23   5.710  -2.888   0.919
  144    HA   LEU  23           HA       LEU  23   7.298  -1.022  -0.796
  145   1HB   LEU  23          2HB       LEU  23   4.368  -0.654  -0.194
  146   2HB   LEU  23          1HB       LEU  23   5.310   0.000  -1.533
  147    HG   LEU  23           HG       LEU  23   5.299  -2.937  -1.454
  148   1HD1  LEU  23          1HD1      LEU  23   2.763  -2.066  -2.564
  149   2HD1  LEU  23          2HD1      LEU  23   2.859  -1.694  -0.843
  150   3HD1  LEU  23          3HD1      LEU  23   3.085  -3.352  -1.400
  151   1HD2  LEU  23          1HD2      LEU  23   6.126  -1.446  -3.310
  152   2HD2  LEU  23          2HD2      LEU  23   4.453  -0.962  -3.592
  153   3HD2  LEU  23          3HD2      LEU  23   4.939  -2.641  -3.831
  154    H    CYS  24           H        CYS  24   8.026   0.808   0.215
  155    HA   CYS  24           HA       CYS  24   7.357   1.145   3.070
  156   1HB   CYS  24          2HB       CYS  24   9.726   1.319   2.237
  157   2HB   CYS  24          1HB       CYS  24   9.260   2.770   1.350
  158    H    GLY  25           H        GLY  25   5.175   1.873   2.864
  159   1HA   GLY  25          2HA       GLY  25   4.273   3.949   1.165
  160   2HA   GLY  25          1HA       GLY  25   3.520   3.529   2.705
  161    H    SER  26           H        SER  26   4.020   6.208   1.502
  162    HA   SER  26           HA       SER  26   6.158   7.621   2.634
  163   1HB   SER  26          2HB       SER  26   4.824   8.922   1.234
  164   2HB   SER  26          1HB       SER  26   3.327   8.359   1.972
  165    HG   SER  26           HG       SER  26   5.239   9.879   3.395
  166    H    ASP  27           H        ASP  27   3.548   6.090   4.297
  167    HA   ASP  27           HA       ASP  27   3.673   7.775   6.678
  168   1HB   ASP  27          2HB       ASP  27   2.137   6.190   7.652
  169   2HB   ASP  27          1HB       ASP  27   1.644   6.440   5.976
  170    H    ASN  28           H        ASN  28   6.095   6.099   5.546
  171    HA   ASN  28           HA       ASN  28   7.964   5.088   6.530
  172   1HB   ASN  28          2HB       ASN  28   6.834   6.767   8.508
  173   2HB   ASN  28          1HB       ASN  28   7.210   5.239   9.305
  174   1HD2  ASN  28          1HD2      ASN  28   9.458   4.600   9.454
  175   2HD2  ASN  28          2HD2      ASN  28  10.721   5.657   9.045
  176    H    LYS  29           H        LYS  29   5.634   3.472   5.835
  177    HA   LYS  29           HA       LYS  29   6.045   1.294   7.828
  178   1HB   LYS  29          2HB       LYS  29   3.749   2.579   7.854
  179   2HB   LYS  29          1HB       LYS  29   3.415   1.595   6.427
  180   1HG   LYS  29          2HG       LYS  29   2.924  -0.133   7.761
  181   2HG   LYS  29          1HG       LYS  29   4.587  -0.122   8.344
  182   1HD   LYS  29          2HD       LYS  29   3.246   2.029   9.626
  183   2HD   LYS  29          1HD       LYS  29   2.200   0.613   9.761
  184   1HE   LYS  29          2HE       LYS  29   3.528   0.102  11.540
  185   2HE   LYS  29          1HE       LYS  29   4.633  -0.494  10.301
  186   1HZ   LYS  29          1HZ       LYS  29   4.902   2.312  10.627
  187   2HZ   LYS  29          2HZ       LYS  29   6.077   1.097  10.791
  188   3HZ   LYS  29          3HZ       LYS  29   5.108   1.527  12.117
  189    H    THR  30           H        THR  30   5.489  -0.879   6.904
  190    HA   THR  30           HA       THR  30   6.164  -0.944   3.996
  191    HB   THR  30           HB       THR  30   6.809  -2.894   6.221
  192    HG1  THR  30           1HG      THR  30   8.605  -1.819   4.365
  193   1HG2  THR  30          1HG2      THR  30   6.418  -3.344   3.371
  194   2HG2  THR  30          2HG2      THR  30   6.687  -4.516   4.660
  195   3HG2  THR  30          3HG2      THR  30   8.059  -3.740   3.873
  196    H    TYR  31           H        TYR  31   4.766  -2.052   2.654
  197    HA   TYR  31           HA       TYR  31   2.403  -3.321   3.954
  198   1HB   TYR  31          2HB       TYR  31   2.780  -1.909   1.311
  199   2HB   TYR  31          1HB       TYR  31   1.352  -2.870   1.681
  200    HD1  TYR  31           1HD      TYR  31   2.219   0.370   1.468
  201    HD2  TYR  31           2HD      TYR  31   0.787  -2.372   4.450
  202    HE1  TYR  31           1HE      TYR  31   1.265   2.266   2.755
  203    HE2  TYR  31           2HE      TYR  31  -0.167  -0.478   5.735
  204    HH   TYR  31           HH       TYR  31   0.664   2.708   5.198
  205    H    GLY  32           H        GLY  32   1.554  -5.266   2.935
  206   1HA   GLY  32          2HA       GLY  32   3.658  -7.096   2.129
  207   2HA   GLY  32          1HA       GLY  32   1.939  -7.478   2.227
  208    H    ASN  33           H        ASN  33   1.393  -5.065   0.420
  209    HA   ASN  33           HA       ASN  33   2.683  -5.540  -2.095
  210   1HB   ASN  33          2HB       ASN  33   0.583  -6.578  -3.186
  211   2HB   ASN  33          1HB       ASN  33   1.627  -7.648  -2.251
  212   1HD2  ASN  33          1HD2      ASN  33   0.366  -9.022  -0.999
  213   2HD2  ASN  33          2HD2      ASN  33  -1.060  -8.579  -0.194
  214    H    LYS  34           H        LYS  34   1.271  -4.581  -3.928
  215    HA   LYS  34           HA       LYS  34   0.491  -1.934  -3.161
  216   1HB   LYS  34          2HB       LYS  34   1.238  -2.127  -5.385
  217   2HB   LYS  34          1HB       LYS  34   0.257  -3.559  -5.687
  218   1HG   LYS  34          2HG       LYS  34  -1.201  -1.059  -4.981
  219   2HG   LYS  34          1HG       LYS  34  -0.454  -1.124  -6.578
  220   1HD   LYS  34          2HD       LYS  34  -2.082  -3.457  -5.609
  221   2HD   LYS  34          1HD       LYS  34  -2.899  -2.036  -6.260
  222   1HE   LYS  34          2HE       LYS  34  -2.564  -3.498  -8.119
  223   2HE   LYS  34          1HE       LYS  34  -1.345  -2.233  -8.275
  224   1HZ   LYS  34          1HZ       LYS  34  -0.634  -4.674  -8.514
  225   2HZ   LYS  34          2HZ       LYS  34  -0.736  -4.722  -6.819
  226   3HZ   LYS  34          3HZ       LYS  34   0.329  -3.638  -7.578
  227    H    CYS  35           H        CYS  35  -1.192  -4.912  -3.064
  228    HA   CYS  35           HA       CYS  35  -3.862  -3.848  -3.450
  229   1HB   CYS  35          2HB       CYS  35  -3.191  -6.281  -3.650
  230   2HB   CYS  35          1HB       CYS  35  -3.038  -6.310  -1.895
  231    H    ASN  36           H        ASN  36  -1.706  -4.356  -0.711
  232    HA   ASN  36           HA       ASN  36  -3.689  -3.479   1.257
  233   1HB   ASN  36          2HB       ASN  36  -1.263  -4.864   1.352
  234   2HB   ASN  36          1HB       ASN  36  -0.885  -3.296   2.056
  235   1HD2  ASN  36          1HD2      ASN  36  -3.855  -5.350   2.205
  236   2HD2  ASN  36          2HD2      ASN  36  -3.931  -5.366   3.900
  237    H    PHE  37           H        PHE  37  -1.295  -2.135  -0.830
  238    HA   PHE  37           HA       PHE  37  -0.955   0.399   0.527
  239   1HB   PHE  37          2HB       PHE  37   0.697  -0.515  -1.086
  240   2HB   PHE  37          1HB       PHE  37  -0.495  -0.368  -2.377
  241    HD1  PHE  37           1HD      PHE  37  -1.209   1.852  -3.190
  242    HD2  PHE  37           2HD      PHE  37   1.810   1.426  -0.162
  243    HE1  PHE  37           1HE      PHE  37  -0.516   4.205  -3.551
  244    HE2  PHE  37           2HE      PHE  37   2.503   3.778  -0.524
  245    HZ   PHE  37           HZ       PHE  37   1.342   5.170  -2.216
  246    H    CYS  38           H        CYS  38  -3.146  -0.865  -1.933
  247    HA   CYS  38           HA       CYS  38  -4.312   1.755  -2.484
  248   1HB   CYS  38          2HB       CYS  38  -4.423  -0.832  -3.668
  249   2HB   CYS  38          1HB       CYS  38  -6.070  -0.368  -3.239
  250    H    CYS  39           H        CYS  39  -4.780  -0.743  -0.125
  251    HA   CYS  39           HA       CYS  39  -7.550  -0.102   0.455
  252   1HB   CYS  39          2HB       CYS  39  -6.584  -2.237   1.192
  253   2HB   CYS  39          1HB       CYS  39  -5.421  -1.378   2.201
  254    H    ALA  40           H        ALA  40  -4.417   0.960   1.711
  255    HA   ALA  40           HA       ALA  40  -5.686   2.786   3.628
  256   1HB   ALA  40          1HB       ALA  40  -2.906   1.963   2.951
  257   2HB   ALA  40          2HB       ALA  40  -3.682   2.121   4.528
  258   3HB   ALA  40          3HB       ALA  40  -3.122   3.557   3.672
  259    H    VAL  41           H        VAL  41  -4.433   2.961   0.357
  260    HA   VAL  41           HA       VAL  41  -4.178   5.865   0.382
  261    HB   VAL  41           HB       VAL  41  -4.394   3.975  -1.981
  262   1HG1  VAL  41          1HG1      VAL  41  -4.527   5.903  -3.152
  263   2HG1  VAL  41          2HG1      VAL  41  -2.866   6.215  -2.649
  264   3HG1  VAL  41          3HG1      VAL  41  -4.208   6.875  -1.716
  265   1HG2  VAL  41          1HG2      VAL  41  -2.403   4.022  -0.094
  266   2HG2  VAL  41          2HG2      VAL  41  -1.799   5.188  -1.272
  267   3HG2  VAL  41          3HG2      VAL  41  -2.172   3.539  -1.774
  268    H    VAL  42           H        VAL  42  -6.582   3.562  -0.831
  269    HA   VAL  42           HA       VAL  42  -8.337   5.651  -1.802
  270    HB   VAL  42           HB       VAL  42  -9.038   2.788  -1.092
  271   1HG1  VAL  42          1HG1      VAL  42 -10.922   4.430  -1.417
  272   2HG1  VAL  42          2HG1      VAL  42 -10.910   3.122  -2.599
  273   3HG1  VAL  42          3HG1      VAL  42 -10.319   4.721  -3.048
  274   1HG2  VAL  42          1HG2      VAL  42  -7.389   3.920  -3.207
  275   2HG2  VAL  42          2HG2      VAL  42  -8.795   3.088  -3.873
  276   3HG2  VAL  42          3HG2      VAL  42  -7.681   2.226  -2.811
  277    H    GLU  43           H        GLU  43  -7.770   4.145   1.288
  278    HA   GLU  43           HA       GLU  43 -10.334   4.949   2.428
  279   1HB   GLU  43          2HB       GLU  43  -9.622   3.918   4.368
  280   2HB   GLU  43          1HB       GLU  43  -8.541   3.123   3.229
  281   1HG   GLU  43          2HG       GLU  43  -6.938   3.822   4.706
  282   2HG   GLU  43          1HG       GLU  43  -7.070   5.330   3.799
  283    H    SER  44           H        SER  44  -7.194   6.366   1.963
  284    HA   SER  44           HA       SER  44  -7.869   8.692   3.672
  285   1HB   SER  44          2HB       SER  44  -5.421   7.488   2.633
  286   2HB   SER  44          1HB       SER  44  -5.469   9.225   2.359
  287    HG   SER  44           HG       SER  44  -5.012   7.904   4.625
  288    H    ASN  45           H        ASN  45  -8.235   7.643   0.479
  289    HA   ASN  45           HA       ASN  45  -8.987   8.724  -1.447
  290   1HB   ASN  45          2HB       ASN  45 -10.051  10.136   0.782
  291   2HB   ASN  45          1HB       ASN  45  -9.583  11.322  -0.436
  292   1HD2  ASN  45          1HD2      ASN  45 -11.249  11.735  -1.886
  293   2HD2  ASN  45          2HD2      ASN  45 -12.411  10.605  -2.389
  294    H    GLY  46           H        GLY  46  -6.115   8.996  -0.696
  295   1HA   GLY  46          2HA       GLY  46  -4.678  10.147  -2.424
  296   2HA   GLY  46          1HA       GLY  46  -5.617  11.598  -2.089
  297    H    THR  47           H        THR  47  -5.352  10.308   0.881
  298    HA   THR  47           HA       THR  47  -3.215  12.147   1.614
  299    HB   THR  47           HB       THR  47  -4.162  10.136   3.584
  300    HG1  THR  47           1HG      THR  47  -5.820  12.080   2.360
  301   1HG2  THR  47          1HG2      THR  47  -3.925  11.894   5.069
  302   2HG2  THR  47          2HG2      THR  47  -4.359  13.106   3.863
  303   3HG2  THR  47          3HG2      THR  47  -2.756  12.372   3.837
  304    H    LEU  48           H        LEU  48  -3.489   8.717   2.583
  305    HA   LEU  48           HA       LEU  48  -0.752   8.315   3.055
  306   1HB   LEU  48          2HB       LEU  48  -2.917   6.717   3.249
  307   2HB   LEU  48          1HB       LEU  48  -2.198   6.049   1.783
  308    HG   LEU  48           HG       LEU  48   0.021   6.268   3.304
  309   1HD1  LEU  48          1HD1      LEU  48  -2.319   6.292   5.137
  310   2HD1  LEU  48          2HD1      LEU  48  -0.686   6.908   5.387
  311   3HD1  LEU  48          3HD1      LEU  48  -1.013   5.184   5.557
  312   1HD2  LEU  48          1HD2      LEU  48  -1.294   3.829   4.076
  313   2HD2  LEU  48          2HD2      LEU  48  -0.027   4.059   2.872
  314   3HD2  LEU  48          3HD2      LEU  48  -1.720   4.210   2.407
  315    H    THR  49           H        THR  49   0.960   7.413   1.736
  316    HA   THR  49           HA       THR  49   0.480   7.250  -1.175
  317    HB   THR  49           HB       THR  49   2.125   8.898  -1.768
  318    HG1  THR  49           1HG      THR  49   2.816  10.107   0.369
  319   1HG2  THR  49          1HG2      THR  49  -0.221   9.636  -1.052
  320   2HG2  THR  49          2HG2      THR  49   1.023  10.887  -1.070
  321   3HG2  THR  49          3HG2      THR  49   0.526  10.160   0.459
  322    H    LEU  50           H        LEU  50   3.230   7.362  -1.864
  323    HA   LEU  50           HA       LEU  50   4.196   4.799  -0.672
  324   1HB   LEU  50          2HB       LEU  50   3.680   5.030  -3.197
  325   2HB   LEU  50          1HB       LEU  50   5.123   6.038  -3.273
  326    HG   LEU  50           HG       LEU  50   6.418   4.149  -2.239
  327   1HD1  LEU  50          1HD1      LEU  50   4.444   3.027  -1.198
  328   2HD1  LEU  50          2HD1      LEU  50   5.389   1.925  -2.198
  329   3HD1  LEU  50          3HD1      LEU  50   3.876   2.591  -2.810
  330   1HD2  LEU  50          1HD2      LEU  50   5.044   4.012  -4.893
  331   2HD2  LEU  50          2HD2      LEU  50   6.011   2.627  -4.383
  332   3HD2  LEU  50          3HD2      LEU  50   6.759   4.218  -4.530
  333    H    SER  51           H        SER  51   6.668   4.662  -0.526
  334    HA   SER  51           HA       SER  51   7.959   7.318  -0.269
  335   1HB   SER  51          2HB       SER  51   6.898   6.044   1.948
  336   2HB   SER  51          1HB       SER  51   8.600   5.601   2.005
  337    HG   SER  51           HG       SER  51   8.821   8.013   1.472
  338    H    HIS  52           H        HIS  52   8.291   3.838  -0.677
  339    HA   HIS  52           HA       HIS  52  10.776   4.072  -2.019
  340   1HB   HIS  52          2HB       HIS  52  12.020   4.628  -0.157
  341   2HB   HIS  52          1HB       HIS  52  10.918   3.821   0.954
  342    HD1  HIS  52           1HD      HIS  52  11.746   1.663   1.871
  343    HD2  HIS  52           2HD      HIS  52  13.578   2.568  -1.764
  344    HE1  HIS  52           1HE      HIS  52  13.433  -0.172   1.445
  345    H    PHE  53           H        PHE  53  10.178   2.440  -3.363
  346    HA   PHE  53           HA       PHE  53   8.740   0.099  -2.744
  347   1HB   PHE  53          2HB       PHE  53  10.277   1.114  -4.965
  348   2HB   PHE  53          1HB       PHE  53  10.644  -0.594  -4.730
  349    HD1  PHE  53           1HD      PHE  53   9.501  -1.440  -6.673
  350    HD2  PHE  53           2HD      PHE  53   7.429   0.992  -3.804
  351    HE1  PHE  53           1HE      PHE  53   7.337  -2.054  -7.718
  352    HE2  PHE  53           2HE      PHE  53   5.264   0.380  -4.849
  353    HZ   PHE  53           HZ       PHE  53   5.218  -1.145  -6.805
  354    H    GLY  54           H        GLY  54   9.360  -1.182  -1.015
  355   1HA   GLY  54          2HA       GLY  54  11.037  -3.184  -0.840
  356   2HA   GLY  54          1HA       GLY  54  12.247  -1.900  -0.773
  357    H    LYS  55           H        LYS  55  11.983  -3.681   1.371
  358    HA   LYS  55           HA       LYS  55  10.230  -2.686   3.433
  359   1HB   LYS  55          2HB       LYS  55  11.103  -4.943   3.597
  360   2HB   LYS  55          1HB       LYS  55  12.763  -4.348   3.576
  361   1HG   LYS  55          2HG       LYS  55  11.823  -4.938   5.876
  362   2HG   LYS  55          1HG       LYS  55  12.528  -3.330   5.723
  363   1HD   LYS  55          2HD       LYS  55  10.527  -2.286   6.017
  364   2HD   LYS  55          1HD       LYS  55   9.656  -3.475   5.048
  365   1HE   LYS  55          2HE       LYS  55   9.011  -3.498   7.478
  366   2HE   LYS  55          1HE       LYS  55   9.628  -5.047   6.899
  367   1HZ   LYS  55          1HZ       LYS  55  10.581  -4.320   9.053
  368   2HZ   LYS  55          2HZ       LYS  55  11.293  -2.999   8.256
  369   3HZ   LYS  55          3HZ       LYS  55  11.748  -4.584   7.850
  370    H    CYS  56           H        CYS  56  10.461  -0.798   4.545
  371    HA   CYS  56           HA       CYS  56  12.833   0.838   4.231
  372   1HB   CYS  56          2HB       CYS  56  10.186   1.105   5.463
  373   2HB   CYS  56          1HB       CYS  56  11.460   1.897   6.391
  Start of MODEL   12
    1   1H    ALA   3          1HT       ALA   3   5.763  11.670  -8.579
    2   2H    ALA   3          2HT       ALA   3   7.082  12.693  -8.900
    3   3H    ALA   3          3HT       ALA   3   6.867  12.039  -7.347
    4    HA   ALA   3           HA       ALA   3   7.938  10.800  -9.763
    5   1HB   ALA   3          1HB       ALA   3   9.509  11.328  -8.045
    6   2HB   ALA   3          2HB       ALA   3   9.239   9.590  -7.914
    7   3HB   ALA   3          3HB       ALA   3   8.452  10.692  -6.783
    8    H    VAL   4           H        VAL   4   7.892   8.451  -9.953
    9    HA   VAL   4           HA       VAL   4   6.769   6.404 -10.015
   10    HB   VAL   4           HB       VAL   4   7.184   6.998  -7.361
   11   1HG1  VAL   4          1HG1      VAL   4   5.263   6.853  -6.086
   12   2HG1  VAL   4          2HG1      VAL   4   4.383   5.956  -7.322
   13   3HG1  VAL   4          3HG1      VAL   4   4.607   7.695  -7.487
   14   1HG2  VAL   4          1HG2      VAL   4   6.973   4.667  -7.021
   15   2HG2  VAL   4          2HG2      VAL   4   7.378   4.825  -8.731
   16   3HG2  VAL   4          3HG2      VAL   4   5.712   4.519  -8.245
   17    H    SER   5           H        SER   5   4.611   5.495 -10.335
   18    HA   SER   5           HA       SER   5   2.306   7.295 -10.047
   19   1HB   SER   5          2HB       SER   5   2.738   6.315 -12.831
   20   2HB   SER   5          1HB       SER   5   1.917   7.768 -12.268
   21    HG   SER   5           HG       SER   5   4.237   7.744 -13.271
   22    H    VAL   6           H        VAL   6   1.138   5.731  -8.957
   23    HA   VAL   6           HA       VAL   6   0.736   3.129 -10.383
   24    HB   VAL   6           HB       VAL   6   1.802   2.778  -8.219
   25   1HG1  VAL   6          1HG1      VAL   6   0.280   3.488  -6.184
   26   2HG1  VAL   6          2HG1      VAL   6  -0.343   4.681  -7.325
   27   3HG1  VAL   6          3HG1      VAL   6   1.372   4.664  -6.916
   28   1HG2  VAL   6          1HG2      VAL   6   0.274   1.038  -8.666
   29   2HG2  VAL   6          2HG2      VAL   6  -1.125   2.087  -8.447
   30   3HG2  VAL   6          3HG2      VAL   6  -0.186   1.567  -7.048
   31    H    ASP   7           H        ASP   7  -1.409   2.450 -10.690
   32    HA   ASP   7           HA       ASP   7  -3.469   4.523 -10.066
   33   1HB   ASP   7          2HB       ASP   7  -4.712   2.990 -11.893
   34   2HB   ASP   7          1HB       ASP   7  -3.658   4.328 -12.347
   35    H    CYS   8           H        CYS   8  -4.023   3.771  -7.977
   36    HA   CYS   8           HA       CYS   8  -5.083   0.983  -7.816
   37   1HB   CYS   8          2HB       CYS   8  -4.375   2.941  -5.607
   38   2HB   CYS   8          1HB       CYS   8  -4.931   1.285  -5.370
   39    H    SER   9           H        SER   9  -6.482   3.296  -9.053
   40    HA   SER   9           HA       SER   9  -8.559   4.114  -7.174
   41   1HB   SER   9          2HB       SER   9  -9.020   4.387 -10.091
   42   2HB   SER   9          1HB       SER   9  -9.208   5.576  -8.805
   43    HG   SER   9           HG       SER   9  -7.210   5.333 -10.488
   44    H    GLU  10           H        GLU  10  -8.346   1.212  -7.492
   45    HA   GLU  10           HA       GLU  10 -11.154   0.692  -8.113
   46   1HB   GLU  10          2HB       GLU  10  -9.451   0.396 -10.214
   47   2HB   GLU  10          1HB       GLU  10  -9.337  -1.207  -9.486
   48   1HG   GLU  10          2HG       GLU  10 -11.793  -1.417  -9.539
   49   2HG   GLU  10          1HG       GLU  10 -11.919   0.190 -10.254
   50    H    TYR  11           H        TYR  11  -9.008   0.500  -5.914
   51    HA   TYR  11           HA       TYR  11  -9.657  -2.318  -5.152
   52   1HB   TYR  11          2HB       TYR  11  -7.045  -0.879  -5.208
   53   2HB   TYR  11          1HB       TYR  11  -7.342  -1.973  -3.863
   54    HD1  TYR  11           1HD      TYR  11  -7.590  -1.813  -7.597
   55    HD2  TYR  11           2HD      TYR  11  -6.947  -4.270  -4.133
   56    HE1  TYR  11           1HE      TYR  11  -7.071  -3.744  -9.063
   57    HE2  TYR  11           2HE      TYR  11  -6.428  -6.203  -5.600
   58    HH   TYR  11           HH       TYR  11  -5.627  -5.960  -8.736
   59    HA   PRO  12           HA       PRO  12 -10.836   0.748  -1.846
   60   1HB   PRO  12          2HB       PRO  12 -13.542   0.293  -1.947
   61   2HB   PRO  12          1HB       PRO  12 -12.721   1.526  -2.923
   62   1HG   PRO  12          2HG       PRO  12 -13.829  -1.108  -3.772
   63   2HG   PRO  12          1HG       PRO  12 -13.569   0.358  -4.729
   64   1HD   PRO  12          2HD       PRO  12 -11.906  -1.947  -4.709
   65   2HD   PRO  12          1HD       PRO  12 -11.521  -0.377  -5.441
   66    H    LYS  13           H        LYS  13 -10.123  -2.259  -1.861
   67    HA   LYS  13           HA       LYS  13 -11.789  -3.076   0.449
   68   1HB   LYS  13          2HB       LYS  13 -11.441  -5.362  -0.246
   69   2HB   LYS  13          1HB       LYS  13 -12.036  -4.460  -1.638
   70   1HG   LYS  13          2HG       LYS  13  -9.389  -4.068  -1.968
   71   2HG   LYS  13          1HG       LYS  13  -9.349  -5.634  -1.159
   72   1HD   LYS  13          2HD       LYS  13 -11.231  -6.267  -2.870
   73   2HD   LYS  13          1HD       LYS  13 -10.603  -4.900  -3.789
   74   1HE   LYS  13          2HE       LYS  13  -8.324  -5.904  -3.660
   75   2HE   LYS  13          1HE       LYS  13  -9.019  -7.305  -2.846
   76   1HZ   LYS  13          1HZ       LYS  13  -9.630  -6.344  -5.586
   77   2HZ   LYS  13          2HZ       LYS  13 -10.493  -7.579  -4.799
   78   3HZ   LYS  13          3HZ       LYS  13  -8.846  -7.786  -5.160
   79    H    CYS  14           H        CYS  14  -9.883  -5.245   0.726
   80    HA   CYS  14           HA       CYS  14  -7.230  -4.438   1.203
   81   1HB   CYS  14          2HB       CYS  14  -8.962  -3.062   2.896
   82   2HB   CYS  14          1HB       CYS  14  -8.346  -4.372   3.905
   83    H    ALA  15           H        ALA  15  -7.584  -6.811   0.432
   84    HA   ALA  15           HA       ALA  15  -7.276  -8.536   2.812
   85   1HB   ALA  15          1HB       ALA  15  -9.505  -9.064   2.652
   86   2HB   ALA  15          2HB       ALA  15  -8.889 -10.187   1.440
   87   3HB   ALA  15          3HB       ALA  15  -9.590  -8.647   0.941
   88    H    CYS  16           H        CYS  16  -5.078  -8.211   1.548
   89    HA   CYS  16           HA       CYS  16  -4.881 -10.505  -0.359
   90   1HB   CYS  16          2HB       CYS  16  -3.492  -7.825  -0.585
   91   2HB   CYS  16          1HB       CYS  16  -3.081  -9.248  -1.546
   92    H    THR  17           H        THR  17  -3.088 -11.793  -0.110
   93    HA   THR  17           HA       THR  17  -0.826 -11.023   1.551
   94    HB   THR  17           HB       THR  17  -2.379 -11.522   3.353
   95    HG1  THR  17           1HG      THR  17  -0.496 -12.327   3.954
   96   1HG2  THR  17          1HG2      THR  17  -3.381 -13.420   1.487
   97   2HG2  THR  17          2HG2      THR  17  -4.036 -13.012   3.072
   98   3HG2  THR  17          3HG2      THR  17  -2.855 -14.312   2.913
   99    H    MET  18           H        MET  18  -1.542 -12.211  -1.130
  100    HA   MET  18           HA       MET  18  -0.342 -14.905  -0.920
  101   1HB   MET  18          2HB       MET  18  -1.252 -13.531  -3.450
  102   2HB   MET  18          1HB       MET  18  -1.066 -15.259  -3.156
  103   1HG   MET  18          2HG       MET  18  -3.252 -15.304  -2.607
  104   2HG   MET  18          1HG       MET  18  -2.828 -14.388  -1.161
  105   1HE   MET  18          1HE       MET  18  -5.668 -14.008  -3.808
  106   2HE   MET  18          2HE       MET  18  -4.188 -14.791  -4.357
  107   3HE   MET  18          3HE       MET  18  -4.671 -13.247  -5.056
  108    H    GLU  19           H        GLU  19   0.186 -12.406  -3.405
  109    HA   GLU  19           HA       GLU  19   2.892 -13.187  -3.865
  110   1HB   GLU  19          2HB       GLU  19   1.522 -11.876  -5.480
  111   2HB   GLU  19          1HB       GLU  19   1.620 -10.485  -4.398
  112   1HG   GLU  19          2HG       GLU  19   4.038 -10.417  -4.619
  113   2HG   GLU  19          1HG       GLU  19   4.029 -11.906  -5.565
  114    H    TYR  20           H        TYR  20   4.858 -12.254  -3.134
  115    HA   TYR  20           HA       TYR  20   4.564 -10.673  -0.618
  116   1HB   TYR  20          2HB       TYR  20   5.822 -12.990  -0.784
  117   2HB   TYR  20          1HB       TYR  20   7.128 -11.978  -1.404
  118    HD1  TYR  20           1HD      TYR  20   4.518 -11.237   1.169
  119    HD2  TYR  20           2HD      TYR  20   8.697 -11.774   0.330
  120    HE1  TYR  20           1HE      TYR  20   5.074 -10.504   3.472
  121    HE2  TYR  20           2HE      TYR  20   9.252 -11.043   2.633
  122    HH   TYR  20           HH       TYR  20   8.235 -10.863   4.798
  123    H    ARG  21           H        ARG  21   4.821  -8.577  -1.034
  124    HA   ARG  21           HA       ARG  21   7.287  -7.637  -2.332
  125   1HB   ARG  21          2HB       ARG  21   4.797  -7.708  -3.751
  126   2HB   ARG  21          1HB       ARG  21   5.188  -6.023  -3.408
  127   1HG   ARG  21          2HG       ARG  21   6.787  -6.033  -4.990
  128   2HG   ARG  21          1HG       ARG  21   7.577  -7.407  -4.220
  129   1HD   ARG  21          2HD       ARG  21   5.105  -7.850  -5.867
  130   2HD   ARG  21          1HD       ARG  21   6.665  -7.659  -6.668
  131    HE   ARG  21           HE       ARG  21   6.082  -9.802  -4.666
  132   1HH1  ARG  21          1HH1      ARG  21   8.696  -8.483  -6.194
  133   2HH1  ARG  21          2HH1      ARG  21   9.181  -9.913  -7.042
  134   1HH2  ARG  21          1HH2      ARG  21   6.287 -11.668  -6.273
  135   2HH2  ARG  21          2HH2      ARG  21   7.815 -11.717  -7.089
  136    HA   PRO  22           HA       PRO  22   6.054  -5.178   1.297
  137   1HB   PRO  22          2HB       PRO  22   8.642  -4.860   2.178
  138   2HB   PRO  22          1HB       PRO  22   7.621  -6.246   2.593
  139   1HG   PRO  22          2HG       PRO  22   9.894  -6.097   0.664
  140   2HG   PRO  22          1HG       PRO  22   9.290  -7.486   1.584
  141   1HD   PRO  22          2HD       PRO  22   8.784  -6.990  -1.146
  142   2HD   PRO  22          1HD       PRO  22   7.893  -8.133  -0.119
  143    H    LEU  23           H        LEU  23   5.773  -3.001   1.111
  144    HA   LEU  23           HA       LEU  23   7.818  -1.436  -0.417
  145   1HB   LEU  23          2HB       LEU  23   4.799  -1.319  -0.599
  146   2HB   LEU  23          1HB       LEU  23   5.834  -0.016  -1.181
  147    HG   LEU  23           HG       LEU  23   6.810  -2.564  -2.133
  148   1HD1  LEU  23          1HD1      LEU  23   4.357  -3.130  -1.853
  149   2HD1  LEU  23          2HD1      LEU  23   4.959  -3.252  -3.506
  150   3HD1  LEU  23          3HD1      LEU  23   4.004  -1.852  -3.017
  151   1HD2  LEU  23          1HD2      LEU  23   7.464  -1.002  -3.627
  152   2HD2  LEU  23          2HD2      LEU  23   6.264   0.148  -3.041
  153   3HD2  LEU  23          3HD2      LEU  23   5.821  -1.044  -4.263
  154    H    CYS  24           H        CYS  24   8.479   0.424   0.621
  155    HA   CYS  24           HA       CYS  24   7.266   0.999   3.256
  156   1HB   CYS  24          2HB       CYS  24   9.503   2.641   2.112
  157   2HB   CYS  24          1HB       CYS  24   9.212   2.159   3.780
  158    H    GLY  25           H        GLY  25   5.235   1.799   2.362
  159   1HA   GLY  25          2HA       GLY  25   4.820   3.798   0.492
  160   2HA   GLY  25          1HA       GLY  25   3.833   3.641   1.944
  161    H    SER  26           H        SER  26   4.710   6.110   0.599
  162    HA   SER  26           HA       SER  26   6.852   7.453   1.783
  163   1HB   SER  26          2HB       SER  26   5.773   8.729   0.172
  164   2HB   SER  26          1HB       SER  26   4.169   8.325   0.781
  165    HG   SER  26           HG       SER  26   4.654  10.434   1.360
  166    H    ASP  27           H        ASP  27   3.942   6.375   3.326
  167    HA   ASP  27           HA       ASP  27   4.247   8.244   5.583
  168   1HB   ASP  27          2HB       ASP  27   2.271   7.184   6.500
  169   2HB   ASP  27          1HB       ASP  27   1.991   7.476   4.783
  170    H    ASN  28           H        ASN  28   6.358   6.232   4.872
  171    HA   ASN  28           HA       ASN  28   7.787   4.745   5.990
  172   1HB   ASN  28          2HB       ASN  28   7.024   6.769   7.796
  173   2HB   ASN  28          1HB       ASN  28   6.871   5.257   8.692
  174   1HD2  ASN  28          1HD2      ASN  28   8.798   4.284   9.412
  175   2HD2  ASN  28          2HD2      ASN  28  10.353   4.795   8.961
  176    H    LYS  29           H        LYS  29   5.128   3.812   5.190
  177    HA   LYS  29           HA       LYS  29   4.603   1.815   7.351
  178   1HB   LYS  29          2HB       LYS  29   2.684   3.278   6.694
  179   2HB   LYS  29          1HB       LYS  29   2.795   2.624   5.058
  180   1HG   LYS  29          2HG       LYS  29   1.109   1.360   6.222
  181   2HG   LYS  29          1HG       LYS  29   2.527   0.322   6.061
  182   1HD   LYS  29          2HD       LYS  29   2.569   0.074   8.295
  183   2HD   LYS  29          1HD       LYS  29   2.863   1.804   8.459
  184   1HE   LYS  29          2HE       LYS  29   0.879   1.760   9.590
  185   2HE   LYS  29          1HE       LYS  29   0.194   1.821   7.966
  186   1HZ   LYS  29          1HZ       LYS  29  -0.828   0.029   9.097
  187   2HZ   LYS  29          2HZ       LYS  29   0.661  -0.583   9.638
  188   3HZ   LYS  29          3HZ       LYS  29   0.258  -0.657   7.989
  189    H    THR  30           H        THR  30   4.287  -0.411   6.674
  190    HA   THR  30           HA       THR  30   5.656  -0.998   4.082
  191    HB   THR  30           HB       THR  30   5.458  -2.658   6.611
  192    HG1  THR  30           1HG      THR  30   7.472  -2.041   6.934
  193   1HG2  THR  30          1HG2      THR  30   5.975  -4.458   5.371
  194   2HG2  THR  30          2HG2      THR  30   7.370  -3.613   4.696
  195   3HG2  THR  30          3HG2      THR  30   5.795  -3.479   3.914
  196    H    TYR  31           H        TYR  31   4.461  -2.032   2.544
  197    HA   TYR  31           HA       TYR  31   1.780  -3.042   3.344
  198   1HB   TYR  31          2HB       TYR  31   2.923  -2.107   0.702
  199   2HB   TYR  31          1HB       TYR  31   1.337  -2.851   0.864
  200    HD1  TYR  31           1HD      TYR  31   3.307   0.155   1.347
  201    HD2  TYR  31           2HD      TYR  31  -0.413  -1.762   2.319
  202    HE1  TYR  31           1HE      TYR  31   2.366   2.339   2.047
  203    HE2  TYR  31           2HE      TYR  31  -1.355   0.423   3.019
  204    HH   TYR  31           HH       TYR  31   0.284   2.954   3.833
  205    H    GLY  32           H        GLY  32   1.174  -5.151   2.827
  206   1HA   GLY  32          2HA       GLY  32   3.223  -7.134   2.611
  207   2HA   GLY  32          1HA       GLY  32   1.498  -7.432   2.388
  208    H    ASN  33           H        ASN  33   1.371  -5.392   0.205
  209    HA   ASN  33           HA       ASN  33   3.153  -6.124  -1.908
  210   1HB   ASN  33          2HB       ASN  33   1.220  -7.328  -3.228
  211   2HB   ASN  33          1HB       ASN  33   2.216  -8.256  -2.105
  212   1HD2  ASN  33          1HD2      ASN  33   0.925  -9.603  -0.852
  213   2HD2  ASN  33          2HD2      ASN  33  -0.609  -9.202  -0.250
  214    H    LYS  34           H        LYS  34   1.976  -5.505  -4.108
  215    HA   LYS  34           HA       LYS  34   1.216  -2.782  -3.892
  216   1HB   LYS  34          2HB       LYS  34   0.658  -2.924  -6.266
  217   2HB   LYS  34          1HB       LYS  34   2.138  -3.831  -5.960
  218   1HG   LYS  34          2HG       LYS  34   1.157  -5.843  -6.410
  219   2HG   LYS  34          1HG       LYS  34  -0.385  -5.366  -5.696
  220   1HD   LYS  34          2HD       LYS  34  -0.456  -3.725  -7.783
  221   2HD   LYS  34          1HD       LYS  34   0.633  -4.927  -8.477
  222   1HE   LYS  34          2HE       LYS  34  -1.318  -5.959  -9.066
  223   2HE   LYS  34          1HE       LYS  34  -1.255  -6.558  -7.407
  224   1HZ   LYS  34          1HZ       LYS  34  -3.071  -5.418  -6.917
  225   2HZ   LYS  34          2HZ       LYS  34  -3.214  -4.973  -8.551
  226   3HZ   LYS  34          3HZ       LYS  34  -2.380  -3.968  -7.465
  227    H    CYS  35           H        CYS  35  -0.612  -5.630  -3.363
  228    HA   CYS  35           HA       CYS  35  -3.204  -4.444  -4.032
  229   1HB   CYS  35          2HB       CYS  35  -2.924  -6.898  -4.037
  230   2HB   CYS  35          1HB       CYS  35  -2.532  -6.860  -2.317
  231    H    ASN  36           H        ASN  36  -1.145  -4.779  -1.210
  232    HA   ASN  36           HA       ASN  36  -3.136  -3.635   0.611
  233   1HB   ASN  36          2HB       ASN  36  -0.835  -5.162   0.929
  234   2HB   ASN  36          1HB       ASN  36  -0.338  -3.563   1.478
  235   1HD2  ASN  36          1HD2      ASN  36  -2.883  -6.044   1.958
  236   2HD2  ASN  36          2HD2      ASN  36  -3.254  -5.583   3.549
  237    H    PHE  37           H        PHE  37  -0.535  -2.581  -1.444
  238    HA   PHE  37           HA       PHE  37  -0.245   0.058  -0.258
  239   1HB   PHE  37          2HB       PHE  37   1.526  -1.088  -1.666
  240   2HB   PHE  37          1HB       PHE  37   0.485  -0.838  -3.067
  241    HD1  PHE  37           1HD      PHE  37   0.089   1.384  -3.978
  242    HD2  PHE  37           2HD      PHE  37   2.590   0.823  -0.531
  243    HE1  PHE  37           1HE      PHE  37   0.942   3.699  -4.219
  244    HE2  PHE  37           2HE      PHE  37   3.443   3.140  -0.773
  245    HZ   PHE  37           HZ       PHE  37   2.617   4.577  -2.617
  246    H    CYS  38           H        CYS  38  -2.225  -1.440  -2.731
  247    HA   CYS  38           HA       CYS  38  -3.274   1.094  -3.746
  248   1HB   CYS  38          2HB       CYS  38  -4.012  -1.808  -4.153
  249   2HB   CYS  38          1HB       CYS  38  -4.976  -0.501  -4.837
  250    H    CYS  39           H        CYS  39  -3.982  -1.090  -1.153
  251    HA   CYS  39           HA       CYS  39  -6.757  -0.282  -0.811
  252   1HB   CYS  39          2HB       CYS  39  -6.160  -2.416   0.091
  253   2HB   CYS  39          1HB       CYS  39  -4.774  -1.742   0.947
  254    H    ALA  40           H        ALA  40  -3.687   0.509   0.795
  255    HA   ALA  40           HA       ALA  40  -4.864   2.462   2.566
  256   1HB   ALA  40          1HB       ALA  40  -2.392   3.264   2.675
  257   2HB   ALA  40          2HB       ALA  40  -2.048   1.853   1.674
  258   3HB   ALA  40          3HB       ALA  40  -2.764   1.647   3.272
  259    H    VAL  41           H        VAL  41  -3.785   2.495  -0.739
  260    HA   VAL  41           HA       VAL  41  -3.486   5.364  -0.975
  261    HB   VAL  41           HB       VAL  41  -4.002   3.200  -3.035
  262   1HG1  VAL  41          1HG1      VAL  41  -3.646   4.805  -4.742
  263   2HG1  VAL  41          2HG1      VAL  41  -3.047   6.008  -3.601
  264   3HG1  VAL  41          3HG1      VAL  41  -4.761   5.596  -3.629
  265   1HG2  VAL  41          1HG2      VAL  41  -1.466   4.735  -2.920
  266   2HG2  VAL  41          2HG2      VAL  41  -1.728   3.015  -3.209
  267   3HG2  VAL  41          3HG2      VAL  41  -1.759   3.648  -1.562
  268    H    VAL  42           H        VAL  42  -6.155   3.092  -1.333
  269    HA   VAL  42           HA       VAL  42  -7.987   5.152  -2.333
  270    HB   VAL  42           HB       VAL  42  -8.477   2.321  -1.344
  271   1HG1  VAL  42          1HG1      VAL  42 -10.633   3.008  -1.202
  272   2HG1  VAL  42          2HG1      VAL  42 -10.593   3.049  -2.964
  273   3HG1  VAL  42          3HG1      VAL  42 -10.295   4.522  -2.041
  274   1HG2  VAL  42          1HG2      VAL  42  -7.889   3.590  -3.987
  275   2HG2  VAL  42          2HG2      VAL  42  -9.026   2.242  -3.956
  276   3HG2  VAL  42          3HG2      VAL  42  -7.380   2.023  -3.360
  277    H    GLU  43           H        GLU  43  -6.863   4.020   0.713
  278    HA   GLU  43           HA       GLU  43  -9.187   4.898   2.254
  279   1HB   GLU  43          2HB       GLU  43  -6.439   3.867   2.877
  280   2HB   GLU  43          1HB       GLU  43  -7.316   4.737   4.136
  281   1HG   GLU  43          2HG       GLU  43  -9.115   2.897   2.866
  282   2HG   GLU  43          1HG       GLU  43  -7.655   2.029   3.339
  283    H    SER  44           H        SER  44  -6.152   6.259   1.144
  284    HA   SER  44           HA       SER  44  -6.490   8.690   2.782
  285   1HB   SER  44          2HB       SER  44  -4.376   7.553   1.025
  286   2HB   SER  44          1HB       SER  44  -4.472   9.310   1.090
  287    HG   SER  44           HG       SER  44  -4.716   8.580   3.551
  288    H    ASN  45           H        ASN  45  -7.820   7.518  -0.029
  289    HA   ASN  45           HA       ASN  45  -9.159   8.582  -1.641
  290   1HB   ASN  45          2HB       ASN  45  -9.536  10.197   0.369
  291   2HB   ASN  45          1HB       ASN  45  -8.395  11.251  -0.471
  292   1HD2  ASN  45          1HD2      ASN  45  -9.028  12.064  -2.621
  293   2HD2  ASN  45          2HD2      ASN  45 -10.654  12.046  -3.110
  294    H    GLY  46           H        GLY  46  -6.003   8.483  -1.514
  295   1HA   GLY  46          2HA       GLY  46  -4.715   8.638  -3.598
  296   2HA   GLY  46          1HA       GLY  46  -5.674  10.054  -4.030
  297    H    THR  47           H        THR  47  -4.999  10.279  -0.781
  298    HA   THR  47           HA       THR  47  -2.885  12.277  -1.320
  299    HB   THR  47           HB       THR  47  -3.204  12.732   1.185
  300    HG1  THR  47           1HG      THR  47  -4.272  11.172   2.095
  301   1HG2  THR  47          1HG2      THR  47  -4.733  14.298   0.586
  302   2HG2  THR  47          2HG2      THR  47  -5.872  13.088  -0.008
  303   3HG2  THR  47          3HG2      THR  47  -4.544  13.629  -1.035
  304    H    LEU  48           H        LEU  48  -2.789   9.082  -0.982
  305    HA   LEU  48           HA       LEU  48  -0.465   9.065   0.891
  306   1HB   LEU  48          2HB       LEU  48  -2.148   7.445   1.502
  307   2HB   LEU  48          1HB       LEU  48  -2.246   6.845  -0.153
  308    HG   LEU  48           HG       LEU  48   0.232   6.252   0.069
  309   1HD1  LEU  48          1HD1      LEU  48   0.725   5.797   2.614
  310   2HD1  LEU  48          2HD1      LEU  48  -0.453   7.083   2.872
  311   3HD1  LEU  48          3HD1      LEU  48   1.012   7.404   1.944
  312   1HD2  LEU  48          1HD2      LEU  48  -0.275   4.129   1.079
  313   2HD2  LEU  48          2HD2      LEU  48  -1.737   4.653   0.243
  314   3HD2  LEU  48          3HD2      LEU  48  -1.614   4.820   1.994
  315    H    THR  49           H        THR  49   1.513   7.997   0.169
  316    HA   THR  49           HA       THR  49   1.661   7.459  -2.754
  317    HB   THR  49           HB       THR  49   3.603   8.873  -3.034
  318    HG1  THR  49           1HG      THR  49   4.021  10.247  -1.038
  319   1HG2  THR  49          1HG2      THR  49   1.550  10.436  -1.453
  320   2HG2  THR  49          2HG2      THR  49   1.313   9.919  -3.121
  321   3HG2  THR  49          3HG2      THR  49   2.607  11.049  -2.724
  322    H    LEU  50           H        LEU  50   4.486   7.238  -2.785
  323    HA   LEU  50           HA       LEU  50   4.909   4.864  -1.022
  324   1HB   LEU  50          2HB       LEU  50   4.692   4.179  -3.356
  325   2HB   LEU  50          1HB       LEU  50   5.878   5.386  -3.851
  326    HG   LEU  50           HG       LEU  50   7.565   4.229  -2.383
  327   1HD1  LEU  50          1HD1      LEU  50   6.226   3.038  -0.822
  328   2HD1  LEU  50          2HD1      LEU  50   6.907   1.791  -1.865
  329   3HD1  LEU  50          3HD1      LEU  50   5.240   2.320  -2.094
  330   1HD2  LEU  50          1HD2      LEU  50   7.301   3.813  -4.865
  331   2HD2  LEU  50          2HD2      LEU  50   6.316   2.408  -4.459
  332   3HD2  LEU  50          3HD2      LEU  50   8.010   2.466  -3.973
  333    H    SER  51           H        SER  51   7.209   4.544  -0.387
  334    HA   SER  51           HA       SER  51   8.690   7.143  -0.367
  335   1HB   SER  51          2HB       SER  51   7.707   5.735   1.809
  336   2HB   SER  51          1HB       SER  51   9.397   5.246   1.747
  337    HG   SER  51           HG       SER  51   8.503   7.428   2.762
  338    H    HIS  52           H        HIS  52   8.963   3.612  -0.657
  339    HA   HIS  52           HA       HIS  52  11.045   3.566  -2.463
  340   1HB   HIS  52          2HB       HIS  52  12.873   4.337  -1.384
  341   2HB   HIS  52          1HB       HIS  52  11.965   4.500   0.113
  342    HD1  HIS  52           1HD      HIS  52  11.814   2.267   1.615
  343    HD2  HIS  52           2HD      HIS  52  14.700   2.228  -1.390
  344    HE1  HIS  52           1HE      HIS  52  13.358   0.337   2.135
  345    H    PHE  53           H        PHE  53  10.739   1.552  -3.166
  346    HA   PHE  53           HA       PHE  53   9.395  -0.574  -2.069
  347   1HB   PHE  53          2HB       PHE  53  11.310  -0.228  -4.173
  348   2HB   PHE  53          1HB       PHE  53  11.709  -1.707  -3.303
  349    HD1  PHE  53           1HD      PHE  53   9.332  -2.957  -2.509
  350    HD2  PHE  53           2HD      PHE  53   9.995  -0.607  -6.042
  351    HE1  PHE  53           1HE      PHE  53   7.462  -4.131  -3.641
  352    HE2  PHE  53           2HE      PHE  53   8.125  -1.780  -7.174
  353    HZ   PHE  53           HZ       PHE  53   6.860  -3.542  -5.973
  354    H    GLY  54           H        GLY  54   9.756  -2.074  -0.430
  355   1HA   GLY  54          2HA       GLY  54  11.767  -3.395   0.613
  356   2HA   GLY  54          1HA       GLY  54  12.303  -1.784   1.093
  357    H    LYS  55           H        LYS  55  12.010  -3.207   3.235
  358    HA   LYS  55           HA       LYS  55   9.216  -3.114   4.200
  359   1HB   LYS  55          2HB       LYS  55  11.039  -4.991   4.631
  360   2HB   LYS  55          1HB       LYS  55  11.508  -3.914   5.948
  361   1HG   LYS  55          2HG       LYS  55   9.895  -5.217   7.000
  362   2HG   LYS  55          1HG       LYS  55   8.915  -3.867   6.426
  363   1HD   LYS  55          2HD       LYS  55   7.633  -5.483   5.472
  364   2HD   LYS  55          1HD       LYS  55   8.896  -5.518   4.240
  365   1HE   LYS  55          2HE       LYS  55   9.053  -7.722   4.784
  366   2HE   LYS  55          1HE       LYS  55   9.982  -7.135   6.163
  367   1HZ   LYS  55          1HZ       LYS  55   7.503  -8.448   6.162
  368   2HZ   LYS  55          2HZ       LYS  55   7.279  -6.886   6.792
  369   3HZ   LYS  55          3HZ       LYS  55   8.423  -7.931   7.490
  370    H    CYS  56           H        CYS  56   8.862  -0.847   4.444
  371    HA   CYS  56           HA       CYS  56   9.887   0.268   6.923
  372   1HB   CYS  56          2HB       CYS  56  10.465   2.359   5.070
  373   2HB   CYS  56          1HB       CYS  56  11.566   1.554   6.175
  Start of MODEL   13
    1   1H    ALA   3          1HT       ALA   3   1.485  11.313  -4.957
    2   2H    ALA   3          2HT       ALA   3   0.859  12.237  -6.238
    3   3H    ALA   3          3HT       ALA   3   2.341  11.422  -6.417
    4    HA   ALA   3           HA       ALA   3   0.093   9.739  -5.704
    5   1HB   ALA   3          1HB       ALA   3  -0.706   9.716  -8.083
    6   2HB   ALA   3          2HB       ALA   3   0.295  11.135  -8.387
    7   3HB   ALA   3          3HB       ALA   3  -1.047  11.230  -7.246
    8    H    VAL   4           H        VAL   4   2.494  10.476  -8.267
    9    HA   VAL   4           HA       VAL   4   4.218   9.131  -9.128
   10    HB   VAL   4           HB       VAL   4   3.667   7.244  -6.825
   11   1HG1  VAL   4          1HG1      VAL   4   5.931   7.784  -8.723
   12   2HG1  VAL   4          2HG1      VAL   4   5.250   6.240  -8.214
   13   3HG1  VAL   4          3HG1      VAL   4   6.283   7.152  -7.114
   14   1HG2  VAL   4          1HG2      VAL   4   4.115   9.901  -6.447
   15   2HG2  VAL   4          2HG2      VAL   4   5.776   9.317  -6.567
   16   3HG2  VAL   4          3HG2      VAL   4   4.694   8.653  -5.341
   17    H    SER   5           H        SER   5   4.226   7.518 -10.690
   18    HA   SER   5           HA       SER   5   1.788   6.427 -11.608
   19   1HB   SER   5          2HB       SER   5   3.291   4.827 -12.898
   20   2HB   SER   5          1HB       SER   5   3.643   6.537 -13.119
   21    HG   SER   5           HG       SER   5   5.427   4.950 -12.572
   22    H    VAL   6           H        VAL   6   0.557   5.190 -10.230
   23    HA   VAL   6           HA       VAL   6   1.847   2.723  -9.141
   24    HB   VAL   6           HB       VAL   6   1.432   4.472  -7.366
   25   1HG1  VAL   6          1HG1      VAL   6  -0.837   4.998  -6.740
   26   2HG1  VAL   6          2HG1      VAL   6  -1.483   3.845  -7.909
   27   3HG1  VAL   6          3HG1      VAL   6  -0.684   5.316  -8.467
   28   1HG2  VAL   6          1HG2      VAL   6  -0.251   1.958  -7.133
   29   2HG2  VAL   6          2HG2      VAL   6   0.420   2.894  -5.797
   30   3HG2  VAL   6          3HG2      VAL   6   1.495   2.020  -6.889
   31    H    ASP   7           H        ASP   7   0.164   0.994  -8.684
   32    HA   ASP   7           HA       ASP   7  -1.972   1.158 -10.764
   33   1HB   ASP   7          2HB       ASP   7  -0.912  -1.359  -9.465
   34   2HB   ASP   7          1HB       ASP   7  -1.854  -1.220 -10.950
   35    H    CYS   8           H        CYS   8  -3.067   2.435  -8.892
   36    HA   CYS   8           HA       CYS   8  -4.719   0.474  -7.381
   37   1HB   CYS   8          2HB       CYS   8  -3.793   3.090  -6.175
   38   2HB   CYS   8          1HB       CYS   8  -4.615   1.760  -5.361
   39    H    SER   9           H        SER   9  -4.853   2.399  -9.792
   40    HA   SER   9           HA       SER   9  -6.576   4.541  -9.439
   41   1HB   SER   9          2HB       SER   9  -5.780   2.876 -11.622
   42   2HB   SER   9          1HB       SER   9  -7.528   3.081 -11.705
   43    HG   SER   9           HG       SER   9  -6.981   5.402 -11.291
   44    H    GLU  10           H        GLU  10  -7.986   4.084  -7.702
   45    HA   GLU  10           HA       GLU  10 -10.057   3.459  -6.794
   46   1HB   GLU  10          2HB       GLU  10 -10.482   3.689  -9.574
   47   2HB   GLU  10          1HB       GLU  10 -11.223   2.159  -9.103
   48   1HG   GLU  10          2HG       GLU  10 -12.155   3.608  -7.088
   49   2HG   GLU  10          1HG       GLU  10 -11.891   4.939  -8.214
   50    H    TYR  11           H        TYR  11  -8.462   1.786  -5.829
   51    HA   TYR  11           HA       TYR  11  -9.361  -0.948  -6.657
   52   1HB   TYR  11          2HB       TYR  11  -6.741   0.071  -6.614
   53   2HB   TYR  11          1HB       TYR  11  -6.864  -0.959  -5.187
   54    HD1  TYR  11           1HD      TYR  11  -7.890  -0.962  -8.800
   55    HD2  TYR  11           2HD      TYR  11  -6.462  -3.237  -5.447
   56    HE1  TYR  11           1HE      TYR  11  -7.727  -2.977 -10.237
   57    HE2  TYR  11           2HE      TYR  11  -6.300  -5.252  -6.884
   58    HH   TYR  11           HH       TYR  11  -6.203  -5.915  -9.113
   59    HA   PRO  12           HA       PRO  12 -10.350  -0.143  -2.155
   60   1HB   PRO  12          2HB       PRO  12 -13.083  -0.293  -2.400
   61   2HB   PRO  12          1HB       PRO  12 -12.175   1.225  -2.525
   62   1HG   PRO  12          2HG       PRO  12 -13.423  -0.404  -4.697
   63   2HG   PRO  12          1HG       PRO  12 -13.124   1.341  -4.634
   64   1HD   PRO  12          2HD       PRO  12 -11.559  -0.528  -6.048
   65   2HD   PRO  12          1HD       PRO  12 -11.078   1.129  -5.629
   66    H    LYS  13           H        LYS  13  -9.488  -2.314  -1.852
   67    HA   LYS  13           HA       LYS  13 -11.500  -4.340  -1.383
   68   1HB   LYS  13          2HB       LYS  13 -10.220  -5.971  -3.021
   69   2HB   LYS  13          1HB       LYS  13 -11.501  -4.925  -3.638
   70   1HG   LYS  13          2HG       LYS  13  -9.800  -3.244  -4.288
   71   2HG   LYS  13          1HG       LYS  13  -8.528  -4.321  -3.707
   72   1HD   LYS  13          2HD       LYS  13 -10.535  -5.211  -5.783
   73   2HD   LYS  13          1HD       LYS  13  -9.041  -4.387  -6.229
   74   1HE   LYS  13          2HE       LYS  13  -7.773  -6.127  -4.925
   75   2HE   LYS  13          1HE       LYS  13  -9.294  -6.993  -4.703
   76   1HZ   LYS  13          1HZ       LYS  13  -8.074  -7.844  -6.599
   77   2HZ   LYS  13          2HZ       LYS  13  -8.051  -6.303  -7.313
   78   3HZ   LYS  13          3HZ       LYS  13  -9.523  -7.126  -7.107
   79    H    CYS  14           H        CYS  14 -10.559  -4.524   0.667
   80    HA   CYS  14           HA       CYS  14  -7.665  -5.053   0.882
   81   1HB   CYS  14          2HB       CYS  14  -9.849  -4.288   2.714
   82   2HB   CYS  14          1HB       CYS  14  -8.669  -5.403   3.404
   83    H    ALA  15           H        ALA  15  -9.539  -6.998  -0.432
   84    HA   ALA  15           HA       ALA  15  -9.117  -9.309   1.422
   85   1HB   ALA  15          1HB       ALA  15 -11.019 -10.367   0.485
   86   2HB   ALA  15          2HB       ALA  15 -11.022  -9.303  -0.921
   87   3HB   ALA  15          3HB       ALA  15 -11.511  -8.682   0.655
   88    H    CYS  16           H        CYS  16  -6.938  -9.621   0.664
   89    HA   CYS  16           HA       CYS  16  -6.784 -10.622  -2.153
   90   1HB   CYS  16          2HB       CYS  16  -4.970  -8.882  -0.561
   91   2HB   CYS  16          1HB       CYS  16  -4.206 -10.074  -1.613
   92    H    THR  17           H        THR  17  -4.652 -12.056  -2.283
   93    HA   THR  17           HA       THR  17  -5.157 -14.316  -0.504
   94    HB   THR  17           HB       THR  17  -2.990 -13.982  -2.596
   95    HG1  THR  17           1HG      THR  17  -5.048 -13.672  -3.478
   96   1HG2  THR  17          1HG2      THR  17  -2.369 -15.954  -1.644
   97   2HG2  THR  17          2HG2      THR  17  -3.729 -16.611  -2.554
   98   3HG2  THR  17          3HG2      THR  17  -3.931 -16.178  -0.857
   99    H    MET  18           H        MET  18  -1.827 -14.168  -1.206
  100    HA   MET  18           HA       MET  18  -1.167 -12.851   1.366
  101   1HB   MET  18          2HB       MET  18  -0.015 -15.563   0.704
  102   2HB   MET  18          1HB       MET  18  -0.013 -14.718   2.253
  103   1HG   MET  18          2HG       MET  18  -2.547 -14.888   2.224
  104   2HG   MET  18          1HG       MET  18  -2.377 -15.977   0.845
  105   1HE   MET  18          1HE       MET  18  -3.562 -17.996   2.030
  106   2HE   MET  18          2HE       MET  18  -3.918 -16.778   3.251
  107   3HE   MET  18          3HE       MET  18  -3.312 -18.357   3.744
  108    H    GLU  19           H        GLU  19  -0.719 -11.885  -1.235
  109    HA   GLU  19           HA       GLU  19   1.854 -12.563  -2.297
  110   1HB   GLU  19          2HB       GLU  19  -0.205 -10.938  -3.093
  111   2HB   GLU  19          1HB       GLU  19   0.998  -9.750  -2.587
  112   1HG   GLU  19          2HG       GLU  19   2.315 -10.186  -4.370
  113   2HG   GLU  19          1HG       GLU  19   2.179 -11.929  -4.135
  114    H    TYR  20           H        TYR  20   3.894 -11.522  -1.962
  115    HA   TYR  20           HA       TYR  20   4.003  -9.766   0.455
  116   1HB   TYR  20          2HB       TYR  20   4.881 -12.273   0.574
  117   2HB   TYR  20          1HB       TYR  20   6.302 -11.554  -0.184
  118    HD1  TYR  20           1HD      TYR  20   3.862 -10.426   2.443
  119    HD2  TYR  20           2HD      TYR  20   7.970 -11.054   1.354
  120    HE1  TYR  20           1HE      TYR  20   4.586  -9.509   4.632
  121    HE2  TYR  20           2HE      TYR  20   8.692 -10.138   3.541
  122    HH   TYR  20           HH       TYR  20   7.596  -9.932   5.896
  123    H    ARG  21           H        ARG  21   4.679  -7.823  -0.162
  124    HA   ARG  21           HA       ARG  21   7.036  -7.563  -1.930
  125   1HB   ARG  21          2HB       ARG  21   4.677  -5.753  -2.407
  126   2HB   ARG  21          1HB       ARG  21   6.016  -6.135  -3.487
  127   1HG   ARG  21          2HG       ARG  21   4.069  -8.276  -2.640
  128   2HG   ARG  21          1HG       ARG  21   3.701  -7.202  -3.988
  129   1HD   ARG  21          2HD       ARG  21   5.179  -8.234  -5.354
  130   2HD   ARG  21          1HD       ARG  21   6.423  -8.279  -4.104
  131    HE   ARG  21           HE       ARG  21   4.564 -10.208  -3.329
  132   1HH1  ARG  21          1HH2      ARG  21   7.307  -9.847  -5.222
  133   2HH1  ARG  21          2HH2      ARG  21   7.138 -11.348  -6.070
  134   1HH2  ARG  21          1HH1      ARG  21   3.979 -12.014  -4.803
  135   2HH2  ARG  21          2HH1      ARG  21   5.253 -12.574  -5.836
  136    HA   PRO  22           HA       PRO  22   7.256  -4.883   1.734
  137   1HB   PRO  22          2HB       PRO  22   9.986  -5.093   1.960
  138   2HB   PRO  22          1HB       PRO  22   8.844  -6.253   2.661
  139   1HG   PRO  22          2HG       PRO  22  10.564  -6.539   0.236
  140   2HG   PRO  22          1HG       PRO  22   9.955  -7.788   1.335
  141   1HD   PRO  22          2HD       PRO  22   8.895  -7.197  -1.208
  142   2HD   PRO  22          1HD       PRO  22   8.076  -8.137   0.058
  143    H    LEU  23           H        LEU  23   6.838  -2.886   0.867
  144    HA   LEU  23           HA       LEU  23   9.039  -1.558  -0.699
  145   1HB   LEU  23          2HB       LEU  23   6.132  -0.756  -0.732
  146   2HB   LEU  23          1HB       LEU  23   7.387  -0.246  -1.850
  147    HG   LEU  23           HG       LEU  23   6.159  -3.009  -1.583
  148   1HD1  LEU  23          1HD1      LEU  23   5.718  -0.718  -3.292
  149   2HD1  LEU  23          2HD1      LEU  23   4.829  -2.238  -3.222
  150   3HD1  LEU  23          3HD1      LEU  23   6.252  -2.100  -4.248
  151   1HD2  LEU  23          1HD2      LEU  23   8.265  -3.715  -2.109
  152   2HD2  LEU  23          2HD2      LEU  23   8.767  -2.118  -2.664
  153   3HD2  LEU  23          3HD2      LEU  23   7.831  -3.167  -3.729
  154    H    CYS  24           H        CYS  24   8.814   0.964  -0.424
  155    HA   CYS  24           HA       CYS  24   8.413   1.474   2.497
  156   1HB   CYS  24          2HB       CYS  24  10.329   2.543   0.466
  157   2HB   CYS  24          1HB       CYS  24   9.794   3.636   1.743
  158    H    GLY  25           H        GLY  25   6.245   2.073   2.553
  159   1HA   GLY  25          2HA       GLY  25   5.046   3.727   0.484
  160   2HA   GLY  25          1HA       GLY  25   4.268   3.220   1.981
  161    H    SER  26           H        SER  26   4.651   5.905   0.491
  162    HA   SER  26           HA       SER  26   6.240   7.617   2.147
  163   1HB   SER  26          2HB       SER  26   4.386   7.910  -0.033
  164   2HB   SER  26          1HB       SER  26   4.003   9.093   1.215
  165    HG   SER  26           HG       SER  26   5.697  10.138   0.575
  166    H    ASP  27           H        ASP  27   3.417   5.914   2.887
  167    HA   ASP  27           HA       ASP  27   2.314   7.876   4.753
  168   1HB   ASP  27          2HB       ASP  27   0.726   6.097   5.338
  169   2HB   ASP  27          1HB       ASP  27   0.847   6.262   3.587
  170    H    ASN  28           H        ASN  28   5.130   6.430   4.954
  171    HA   ASN  28           HA       ASN  28   6.520   6.057   6.822
  172   1HB   ASN  28          2HB       ASN  28   4.713   7.666   7.897
  173   2HB   ASN  28          1HB       ASN  28   4.168   6.183   8.679
  174   1HD2  ASN  28          1HD2      ASN  28   5.199   5.752  10.634
  175   2HD2  ASN  28          2HD2      ASN  28   6.745   6.305  11.065
  176    H    LYS  29           H        LYS  29   4.951   3.959   5.355
  177    HA   LYS  29           HA       LYS  29   5.398   1.820   7.348
  178   1HB   LYS  29          2HB       LYS  29   2.724   2.667   6.399
  179   2HB   LYS  29          1HB       LYS  29   3.027   0.931   6.361
  180   1HG   LYS  29          2HG       LYS  29   3.572   2.658   8.789
  181   2HG   LYS  29          1HG       LYS  29   2.054   1.794   8.539
  182   1HD   LYS  29          2HD       LYS  29   3.122  -0.325   8.610
  183   2HD   LYS  29          1HD       LYS  29   4.724   0.388   8.420
  184   1HE   LYS  29          2HE       LYS  29   4.285   1.587  10.643
  185   2HE   LYS  29          1HE       LYS  29   2.916   0.492  10.839
  186   1HZ   LYS  29          1HZ       LYS  29   4.344  -1.373  10.774
  187   2HZ   LYS  29          2HZ       LYS  29   5.043  -0.272  11.863
  188   3HZ   LYS  29          3HZ       LYS  29   5.677  -0.439  10.296
  189    H    THR  30           H        THR  30   5.933  -0.150   6.332
  190    HA   THR  30           HA       THR  30   6.653   0.101   3.519
  191    HB   THR  30           HB       THR  30   7.086  -1.934   5.675
  192    HG1  THR  30           1HG      THR  30   8.906  -0.935   5.530
  193   1HG2  THR  30          1HG2      THR  30   8.025  -3.536   4.058
  194   2HG2  THR  30          2HG2      THR  30   7.509  -2.511   2.725
  195   3HG2  THR  30          3HG2      THR  30   6.308  -3.286   3.754
  196    H    TYR  31           H        TYR  31   6.028  -1.690   1.955
  197    HA   TYR  31           HA       TYR  31   3.105  -2.032   1.996
  198   1HB   TYR  31          2HB       TYR  31   5.267  -2.703  -0.006
  199   2HB   TYR  31          1HB       TYR  31   3.609  -3.211  -0.219
  200    HD1  TYR  31           1HD      TYR  31   4.512   0.039   1.306
  201    HD2  TYR  31           2HD      TYR  31   3.271  -2.017  -2.253
  202    HE1  TYR  31           1HE      TYR  31   4.056   2.204   0.192
  203    HE2  TYR  31           2HE      TYR  31   2.821   0.151  -3.359
  204    HH   TYR  31           HH       TYR  31   3.361   2.425  -3.203
  205    H    GLY  32           H        GLY  32   2.225  -3.903   2.840
  206   1HA   GLY  32          2HA       GLY  32   3.885  -6.258   3.372
  207   2HA   GLY  32          1HA       GLY  32   2.117  -6.178   3.530
  208    H    ASN  33           H        ASN  33   1.921  -4.888   0.910
  209    HA   ASN  33           HA       ASN  33   2.973  -6.280  -1.253
  210   1HB   ASN  33          2HB       ASN  33   1.062  -7.755  -1.909
  211   2HB   ASN  33          1HB       ASN  33   1.884  -8.317  -0.460
  212   1HD2  ASN  33          1HD2      ASN  33   0.418  -9.009   1.091
  213   2HD2  ASN  33          2HD2      ASN  33  -1.119  -8.336   1.353
  214    H    LYS  34           H        LYS  34   2.032  -5.395  -3.208
  215    HA   LYS  34           HA       LYS  34   1.070  -2.791  -3.024
  216   1HB   LYS  34          2HB       LYS  34   2.056  -4.023  -5.058
  217   2HB   LYS  34          1HB       LYS  34   0.406  -4.566  -5.367
  218   1HG   LYS  34          2HG       LYS  34  -0.349  -2.440  -5.874
  219   2HG   LYS  34          1HG       LYS  34   0.851  -1.655  -4.847
  220   1HD   LYS  34          2HD       LYS  34   2.181  -3.126  -6.943
  221   2HD   LYS  34          1HD       LYS  34   0.984  -2.038  -7.645
  222   1HE   LYS  34          2HE       LYS  34   2.239  -0.228  -7.167
  223   2HE   LYS  34          1HE       LYS  34   2.430  -0.737  -5.489
  224   1HZ   LYS  34          1HZ       LYS  34   3.990  -1.842  -7.759
  225   2HZ   LYS  34          2HZ       LYS  34   4.230  -2.156  -6.107
  226   3HZ   LYS  34          3HZ       LYS  34   4.542  -0.608  -6.735
  227    H    CYS  35           H        CYS  35  -0.732  -5.689  -2.561
  228    HA   CYS  35           HA       CYS  35  -3.307  -4.542  -3.344
  229   1HB   CYS  35          2HB       CYS  35  -2.899  -6.998  -3.329
  230   2HB   CYS  35          1HB       CYS  35  -2.713  -6.933  -1.576
  231    H    ASN  36           H        ASN  36  -1.362  -4.758  -0.469
  232    HA   ASN  36           HA       ASN  36  -3.408  -3.773   1.353
  233   1HB   ASN  36          2HB       ASN  36  -0.858  -5.021   1.550
  234   2HB   ASN  36          1HB       ASN  36  -0.705  -3.433   2.289
  235   1HD2  ASN  36          1HD2      ASN  36  -1.969  -6.619   2.746
  236   2HD2  ASN  36          2HD2      ASN  36  -2.783  -6.322   4.205
  237    H    PHE  37           H        PHE  37  -1.029  -2.523  -0.817
  238    HA   PHE  37           HA       PHE  37  -0.858   0.104   0.455
  239   1HB   PHE  37          2HB       PHE  37   1.053  -0.809  -0.870
  240   2HB   PHE  37          1HB       PHE  37   0.030  -0.796  -2.308
  241    HD1  PHE  37           1HD      PHE  37  -0.060   1.104  -3.655
  242    HD2  PHE  37           2HD      PHE  37   1.174   1.516   0.446
  243    HE1  PHE  37           1HE      PHE  37   0.383   3.515  -4.028
  244    HE2  PHE  37           2HE      PHE  37   1.627   3.929   0.067
  245    HZ   PHE  37           HZ       PHE  37   1.219   4.923  -2.172
  246    H    CYS  38           H        CYS  38  -2.260  -1.168  -2.570
  247    HA   CYS  38           HA       CYS  38  -3.534   1.257  -3.358
  248   1HB   CYS  38          2HB       CYS  38  -4.370  -1.614  -3.889
  249   2HB   CYS  38          1HB       CYS  38  -4.997  -0.203  -4.740
  250    H    CYS  39           H        CYS  39  -4.347  -1.211  -1.038
  251    HA   CYS  39           HA       CYS  39  -7.126  -0.416  -0.700
  252   1HB   CYS  39          2HB       CYS  39  -5.818  -2.619   0.045
  253   2HB   CYS  39          1HB       CYS  39  -5.582  -1.690   1.524
  254    H    ALA  40           H        ALA  40  -4.087   0.260   0.996
  255    HA   ALA  40           HA       ALA  40  -5.291   2.032   2.940
  256   1HB   ALA  40          1HB       ALA  40  -2.747   2.847   2.973
  257   2HB   ALA  40          2HB       ALA  40  -2.511   1.346   2.079
  258   3HB   ALA  40          3HB       ALA  40  -3.224   1.308   3.691
  259    H    VAL  41           H        VAL  41  -4.485   2.319  -0.371
  260    HA   VAL  41           HA       VAL  41  -4.027   5.197  -0.380
  261    HB   VAL  41           HB       VAL  41  -4.634   3.201  -2.574
  262   1HG1  VAL  41          1HG1      VAL  41  -5.400   5.095  -3.635
  263   2HG1  VAL  41          2HG1      VAL  41  -3.674   5.326  -3.912
  264   3HG1  VAL  41          3HG1      VAL  41  -4.477   6.179  -2.594
  265   1HG2  VAL  41          1HG2      VAL  41  -2.373   3.306  -1.287
  266   2HG2  VAL  41          2HG2      VAL  41  -2.113   4.805  -2.176
  267   3HG2  VAL  41          3HG2      VAL  41  -2.330   3.288  -3.049
  268    H    VAL  42           H        VAL  42  -6.747   3.064  -1.199
  269    HA   VAL  42           HA       VAL  42  -8.539   5.183  -1.936
  270    HB   VAL  42           HB       VAL  42  -9.205   2.435  -0.834
  271   1HG1  VAL  42          1HG1      VAL  42 -10.852   4.179  -2.677
  272   2HG1  VAL  42          2HG1      VAL  42 -11.025   4.247  -0.923
  273   3HG1  VAL  42          3HG1      VAL  42 -11.367   2.747  -1.784
  274   1HG2  VAL  42          1HG2      VAL  42  -8.699   3.442  -3.651
  275   2HG2  VAL  42          2HG2      VAL  42  -9.438   1.882  -3.289
  276   3HG2  VAL  42          3HG2      VAL  42  -7.781   2.213  -2.782
  277    H    GLU  43           H        GLU  43  -7.518   3.895   1.143
  278    HA   GLU  43           HA       GLU  43  -9.759   5.159   2.584
  279   1HB   GLU  43          2HB       GLU  43  -8.786   4.229   4.572
  280   2HB   GLU  43          1HB       GLU  43  -8.646   2.996   3.319
  281   1HG   GLU  43          2HG       GLU  43  -6.333   3.549   2.931
  282   2HG   GLU  43          1HG       GLU  43  -6.439   4.963   3.978
  283    H    SER  44           H        SER  44  -6.468   5.901   1.682
  284    HA   SER  44           HA       SER  44  -6.253   8.121   3.593
  285   1HB   SER  44          2HB       SER  44  -4.242   6.857   2.908
  286   2HB   SER  44          1HB       SER  44  -4.496   7.354   1.238
  287    HG   SER  44           HG       SER  44  -3.247   8.659   3.188
  288    H    ASN  45           H        ASN  45  -8.080   7.735   0.923
  289    HA   ASN  45           HA       ASN  45  -9.269   9.338  -0.331
  290   1HB   ASN  45          2HB       ASN  45  -8.214  10.838   1.787
  291   2HB   ASN  45          1HB       ASN  45  -7.702  11.697   0.334
  292   1HD2  ASN  45          1HD2      ASN  45 -10.711   9.889   1.206
  293   2HD2  ASN  45          2HD2      ASN  45 -11.763  11.144   0.758
  294    H    GLY  46           H        GLY  46  -6.365   8.195  -0.808
  295   1HA   GLY  46          2HA       GLY  46  -5.313   8.088  -2.980
  296   2HA   GLY  46          1HA       GLY  46  -6.015   9.659  -3.367
  297    H    THR  47           H        THR  47  -4.837   9.776  -0.249
  298    HA   THR  47           HA       THR  47  -2.576  11.433  -1.079
  299    HB   THR  47           HB       THR  47  -3.802  10.694   1.578
  300    HG1  THR  47           1HG      THR  47  -3.595  12.984  -0.044
  301   1HG2  THR  47          1HG2      THR  47  -1.990  12.699   2.115
  302   2HG2  THR  47          2HG2      THR  47  -1.094  11.663   1.004
  303   3HG2  THR  47          3HG2      THR  47  -1.758  10.992   2.494
  304    H    LEU  48           H        LEU  48  -3.097   8.253   0.375
  305    HA   LEU  48           HA       LEU  48  -0.557   7.598   1.303
  306   1HB   LEU  48          2HB       LEU  48  -2.792   6.150   0.908
  307   2HB   LEU  48          1HB       LEU  48  -1.837   5.564  -0.455
  308    HG   LEU  48           HG       LEU  48   0.047   5.492   1.484
  309   1HD1  LEU  48          1HD1      LEU  48  -2.575   4.839   2.862
  310   2HD1  LEU  48          2HD1      LEU  48  -1.569   6.246   3.207
  311   3HD1  LEU  48          3HD1      LEU  48  -0.963   4.625   3.545
  312   1HD2  LEU  48          1HD2      LEU  48  -0.996   3.682  -0.105
  313   2HD2  LEU  48          2HD2      LEU  48  -1.914   3.220   1.327
  314   3HD2  LEU  48          3HD2      LEU  48  -0.152   3.166   1.354
  315    H    THR  49           H        THR  49   1.387   6.840   0.305
  316    HA   THR  49           HA       THR  49   1.496   6.847  -2.648
  317    HB   THR  49           HB       THR  49   3.615   8.392  -2.306
  318    HG1  THR  49           1HG      THR  49   3.255   9.875  -0.675
  319   1HG2  THR  49          1HG2      THR  49   2.366   9.789  -3.549
  320   2HG2  THR  49          2HG2      THR  49   1.273  10.099  -2.200
  321   3HG2  THR  49          3HG2      THR  49   1.005   8.707  -3.249
  322    H    LEU  50           H        LEU  50   4.167   6.803  -3.036
  323    HA   LEU  50           HA       LEU  50   5.092   4.381  -1.544
  324   1HB   LEU  50          2HB       LEU  50   4.650   4.101  -4.007
  325   2HB   LEU  50          1HB       LEU  50   5.864   5.337  -4.329
  326    HG   LEU  50           HG       LEU  50   7.614   3.972  -3.389
  327   1HD1  LEU  50          1HD1      LEU  50   7.104   1.737  -2.417
  328   2HD1  LEU  50          2HD1      LEU  50   5.385   2.075  -2.595
  329   3HD1  LEU  50          3HD1      LEU  50   6.359   3.039  -1.489
  330   1HD2  LEU  50          1HD2      LEU  50   6.383   1.710  -4.728
  331   2HD2  LEU  50          2HD2      LEU  50   7.736   2.711  -5.254
  332   3HD2  LEU  50          3HD2      LEU  50   6.082   3.205  -5.616
  333    H    SER  51           H        SER  51   7.651   4.347  -1.631
  334    HA   SER  51           HA       SER  51   8.753   7.095  -1.412
  335   1HB   SER  51          2HB       SER  51   7.970   5.896   0.852
  336   2HB   SER  51          1HB       SER  51   9.552   5.143   0.694
  337    HG   SER  51           HG       SER  51   9.246   7.920   0.350
  338    H    HIS  52           H        HIS  52   9.324   3.603  -1.607
  339    HA   HIS  52           HA       HIS  52  11.303   3.723  -3.547
  340   1HB   HIS  52          2HB       HIS  52  13.149   4.560  -2.565
  341   2HB   HIS  52          1HB       HIS  52  12.265   4.774  -1.062
  342    HD1  HIS  52           1HD      HIS  52  12.384   2.784   0.679
  343    HD2  HIS  52           2HD      HIS  52  14.920   2.368  -2.603
  344    HE1  HIS  52           1HE      HIS  52  14.037   0.961   1.277
  345    H    PHE  53           H        PHE  53  10.971   1.708  -4.252
  346    HA   PHE  53           HA       PHE  53   9.956  -0.499  -2.896
  347   1HB   PHE  53          2HB       PHE  53  11.548  -0.083  -5.333
  348   2HB   PHE  53          1HB       PHE  53  11.808  -1.663  -4.599
  349    HD1  PHE  53           1HD      PHE  53  10.424  -3.364  -5.352
  350    HD2  PHE  53           2HD      PHE  53   8.912   0.655  -5.229
  351    HE1  PHE  53           1HE      PHE  53   8.263  -4.149  -6.284
  352    HE2  PHE  53           2HE      PHE  53   6.753  -0.130  -6.161
  353    HZ   PHE  53           HZ       PHE  53   6.428  -2.531  -6.688
  354    H    GLY  54           H        GLY  54  10.771  -1.825  -1.294
  355   1HA   GLY  54          2HA       GLY  54  12.928  -3.087  -0.655
  356   2HA   GLY  54          1HA       GLY  54  13.659  -1.481  -0.606
  357    H    LYS  55           H        LYS  55  13.399  -3.368   1.617
  358    HA   LYS  55           HA       LYS  55  11.254  -2.536   3.358
  359   1HB   LYS  55          2HB       LYS  55  12.358  -4.655   3.758
  360   2HB   LYS  55          1HB       LYS  55  13.922  -3.858   3.933
  361   1HG   LYS  55          2HG       LYS  55  13.490  -3.204   6.068
  362   2HG   LYS  55          1HG       LYS  55  11.808  -2.810   5.706
  363   1HD   LYS  55          2HD       LYS  55  11.063  -4.935   6.178
  364   2HD   LYS  55          1HD       LYS  55  12.573  -5.692   5.669
  365   1HE   LYS  55          2HE       LYS  55  13.147  -5.839   7.842
  366   2HE   LYS  55          1HE       LYS  55  13.256  -4.079   7.870
  367   1HZ   LYS  55          1HZ       LYS  55  11.466  -5.646   9.252
  368   2HZ   LYS  55          2HZ       LYS  55  10.553  -4.934   8.009
  369   3HZ   LYS  55          3HZ       LYS  55  11.427  -3.958   9.090
  370    H    CYS  56           H        CYS  56  11.083  -0.603   4.369
  371    HA   CYS  56           HA       CYS  56  12.969   1.481   4.218
  372   1HB   CYS  56          2HB       CYS  56  10.967   1.025   6.449
  373   2HB   CYS  56          1HB       CYS  56  11.688   2.567   5.987
  Start of MODEL   14
    1   1H    ALA   3          1HT       ALA   3  10.553   7.838 -10.186
    2   2H    ALA   3          2HT       ALA   3   9.874   8.737  -8.914
    3   3H    ALA   3          3HT       ALA   3  10.820   9.510 -10.094
    4    HA   ALA   3           HA       ALA   3   8.261   9.681 -10.225
    5   1HB   ALA   3          1HB       ALA   3   8.433   9.726 -12.701
    6   2HB   ALA   3          2HB       ALA   3   9.995   8.913 -12.594
    7   3HB   ALA   3          3HB       ALA   3   9.799  10.538 -11.936
    8    H    VAL   4           H        VAL   4   6.839   8.088  -9.558
    9    HA   VAL   4           HA       VAL   4   6.185   5.987 -11.440
   10    HB   VAL   4           HB       VAL   4   8.162   4.973 -10.311
   11   1HG1  VAL   4          1HG1      VAL   4   8.316   4.726  -8.013
   12   2HG1  VAL   4          2HG1      VAL   4   6.567   4.739  -7.790
   13   3HG1  VAL   4          3HG1      VAL   4   7.428   6.247  -8.095
   14   1HG2  VAL   4          1HG2      VAL   4   5.770   3.492  -9.272
   15   2HG2  VAL   4          2HG2      VAL   4   7.178   2.873 -10.135
   16   3HG2  VAL   4          3HG2      VAL   4   5.919   3.744 -11.012
   17    H    SER   5           H        SER   5   4.066   6.760 -11.295
   18    HA   SER   5           HA       SER   5   2.811   6.809  -8.597
   19   1HB   SER   5          2HB       SER   5   1.097   8.160  -9.552
   20   2HB   SER   5          1HB       SER   5   2.601   8.762 -10.246
   21    HG   SER   5           HG       SER   5   2.175   7.482 -12.081
   22    H    VAL   6           H        VAL   6   0.519   5.918  -8.531
   23    HA   VAL   6           HA       VAL   6   0.007   3.727 -10.453
   24    HB   VAL   6           HB       VAL   6   1.309   2.546  -8.821
   25   1HG1  VAL   6          1HG1      VAL   6   1.531   3.368  -6.740
   26   2HG1  VAL   6          2HG1      VAL   6  -0.153   2.969  -6.402
   27   3HG1  VAL   6          3HG1      VAL   6   0.262   4.548  -7.067
   28   1HG2  VAL   6          1HG2      VAL   6  -0.195   0.868  -8.572
   29   2HG2  VAL   6          2HG2      VAL   6  -1.361   1.962  -9.318
   30   3HG2  VAL   6          3HG2      VAL   6  -1.247   1.859  -7.561
   31    H    ASP   7           H        ASP   7  -2.176   3.534 -10.802
   32    HA   ASP   7           HA       ASP   7  -3.978   4.937  -8.867
   33   1HB   ASP   7          2HB       ASP   7  -3.577   5.455 -11.604
   34   2HB   ASP   7          1HB       ASP   7  -5.125   4.615 -11.508
   35    H    CYS   8           H        CYS   8  -5.271   3.526  -7.817
   36    HA   CYS   8           HA       CYS   8  -6.229   1.118  -9.309
   37   1HB   CYS   8          2HB       CYS   8  -5.281   1.275  -6.432
   38   2HB   CYS   8          1HB       CYS   8  -6.115  -0.116  -7.124
   39    H    SER   9           H        SER   9  -7.426   3.803  -8.713
   40    HA   SER   9           HA       SER   9  -9.368   3.635  -6.649
   41   1HB   SER   9          2HB       SER   9  -9.080   5.227  -9.164
   42   2HB   SER   9          1HB       SER   9 -10.651   5.213  -8.367
   43    HG   SER   9           HG       SER   9  -8.755   6.764  -7.746
   44    H    GLU  10           H        GLU  10 -10.208   1.501  -6.743
   45    HA   GLU  10           HA       GLU  10 -12.597   1.212  -8.268
   46   1HB   GLU  10          2HB       GLU  10 -10.159   0.245  -9.511
   47   2HB   GLU  10          1HB       GLU  10 -11.336  -1.050  -9.286
   48   1HG   GLU  10          2HG       GLU  10 -12.132   1.613 -10.462
   49   2HG   GLU  10          1HG       GLU  10 -11.492   0.315 -11.471
   50    H    TYR  11           H        TYR  11 -10.104  -0.270  -6.429
   51    HA   TYR  11           HA       TYR  11 -12.149  -2.046  -5.176
   52   1HB   TYR  11          2HB       TYR  11  -9.745  -3.238  -4.555
   53   2HB   TYR  11          1HB       TYR  11 -10.820  -3.739  -5.853
   54    HD1  TYR  11           1HD      TYR  11 -10.538  -2.235  -8.087
   55    HD2  TYR  11           2HD      TYR  11  -7.508  -2.906  -5.120
   56    HE1  TYR  11           1HE      TYR  11  -8.788  -1.708  -9.761
   57    HE2  TYR  11           2HE      TYR  11  -5.759  -2.376  -6.792
   58    HH   TYR  11           HH       TYR  11  -6.149  -2.438  -9.945
   59    HA   PRO  12           HA       PRO  12 -10.714   0.626  -1.785
   60   1HB   PRO  12          2HB       PRO  12 -13.214   0.840  -0.664
   61   2HB   PRO  12          1HB       PRO  12 -12.628   1.908  -1.951
   62   1HG   PRO  12          2HG       PRO  12 -14.605  -0.313  -2.117
   63   2HG   PRO  12          1HG       PRO  12 -14.429   1.113  -3.154
   64   1HD   PRO  12          2HD       PRO  12 -13.557  -1.520  -3.766
   65   2HD   PRO  12          1HD       PRO  12 -13.147  -0.041  -4.659
   66    H    LYS  13           H        LYS  13 -10.565  -2.283  -1.963
   67    HA   LYS  13           HA       LYS  13 -10.493  -2.992   0.813
   68   1HB   LYS  13          2HB       LYS  13 -12.750  -3.572   0.835
   69   2HB   LYS  13          1HB       LYS  13 -12.787  -3.895  -0.899
   70   1HG   LYS  13          2HG       LYS  13 -11.744  -6.001  -0.646
   71   2HG   LYS  13          1HG       LYS  13 -11.214  -5.632   0.994
   72   1HD   LYS  13          2HD       LYS  13 -14.076  -6.074   0.082
   73   2HD   LYS  13          1HD       LYS  13 -13.124  -7.150   1.105
   74   1HE   LYS  13          2HE       LYS  13 -12.903  -5.200   2.734
   75   2HE   LYS  13          1HE       LYS  13 -14.134  -4.379   1.775
   76   1HZ   LYS  13          1HZ       LYS  13 -15.737  -5.679   2.581
   77   2HZ   LYS  13          2HZ       LYS  13 -14.634  -6.070   3.811
   78   3HZ   LYS  13          3HZ       LYS  13 -14.804  -7.092   2.464
   79    H    CYS  14           H        CYS  14  -8.444  -3.840   0.553
   80    HA   CYS  14           HA       CYS  14  -8.106  -6.076  -1.347
   81   1HB   CYS  14          2HB       CYS  14  -5.989  -3.954  -1.360
   82   2HB   CYS  14          1HB       CYS  14  -6.426  -5.104  -2.618
   83    H    ALA  15           H        ALA  15  -8.096  -6.942   0.986
   84    HA   ALA  15           HA       ALA  15  -5.552  -6.506   2.424
   85   1HB   ALA  15          1HB       ALA  15  -8.058  -7.079   3.320
   86   2HB   ALA  15          2HB       ALA  15  -6.595  -7.451   4.234
   87   3HB   ALA  15          3HB       ALA  15  -7.368  -8.702   3.260
   88    H    CYS  16           H        CYS  16  -4.373  -7.345   0.441
   89    HA   CYS  16           HA       CYS  16  -4.583 -10.208  -0.136
   90   1HB   CYS  16          2HB       CYS  16  -2.639  -8.071  -1.053
   91   2HB   CYS  16          1HB       CYS  16  -2.593  -9.742  -1.611
   92    H    THR  17           H        THR  17  -2.837 -11.725   0.196
   93    HA   THR  17           HA       THR  17  -0.580 -11.006   1.906
   94    HB   THR  17           HB       THR  17  -2.061 -13.167   3.211
   95    HG1  THR  17           1HG      THR  17  -3.909 -12.149   2.963
   96   1HG2  THR  17          1HG2      THR  17  -0.757 -10.568   4.027
   97   2HG2  THR  17          2HG2      THR  17  -0.197 -12.212   4.334
   98   3HG2  THR  17          3HG2      THR  17  -1.610 -11.589   5.184
   99    H    MET  18           H        MET  18  -0.155 -11.989  -0.476
  100    HA   MET  18           HA       MET  18   0.463 -14.869  -0.014
  101   1HB   MET  18          2HB       MET  18  -1.578 -14.204  -1.632
  102   2HB   MET  18          1HB       MET  18  -0.253 -14.052  -2.785
  103   1HG   MET  18          2HG       MET  18   0.517 -16.356  -2.001
  104   2HG   MET  18          1HG       MET  18  -1.037 -16.490  -1.178
  105   1HE   MET  18          1HE       MET  18  -2.323 -17.933  -1.922
  106   2HE   MET  18          2HE       MET  18  -2.950 -18.253  -3.537
  107   3HE   MET  18          3HE       MET  18  -3.494 -16.828  -2.656
  108    H    GLU  19           H        GLU  19   0.961 -12.647  -2.761
  109    HA   GLU  19           HA       GLU  19   3.672 -13.517  -3.162
  110   1HB   GLU  19          2HB       GLU  19   1.929 -12.153  -4.701
  111   2HB   GLU  19          1HB       GLU  19   2.882 -10.800  -4.089
  112   1HG   GLU  19          2HG       GLU  19   4.957 -11.967  -4.819
  113   2HG   GLU  19          1HG       GLU  19   3.966 -13.256  -5.502
  114    H    TYR  20           H        TYR  20   5.639 -12.410  -2.647
  115    HA   TYR  20           HA       TYR  20   5.428 -10.745  -0.209
  116   1HB   TYR  20          2HB       TYR  20   7.127 -12.753  -0.762
  117   2HB   TYR  20          1HB       TYR  20   8.078 -11.407  -1.394
  118    HD1  TYR  20           1HD      TYR  20   5.762 -11.798   1.537
  119    HD2  TYR  20           2HD      TYR  20   9.677 -10.709   0.148
  120    HE1  TYR  20           1HE      TYR  20   6.399 -11.149   3.845
  121    HE2  TYR  20           2HE      TYR  20  10.316 -10.062   2.455
  122    HH   TYR  20           HH       TYR  20   8.958 -11.002   5.071
  123    H    ARG  21           H        ARG  21   5.344  -8.594  -0.453
  124    HA   ARG  21           HA       ARG  21   7.198  -7.231  -2.284
  125   1HB   ARG  21          2HB       ARG  21   4.259  -7.430  -2.762
  126   2HB   ARG  21          1HB       ARG  21   5.003  -5.850  -3.011
  127   1HG   ARG  21          2HG       ARG  21   6.464  -6.669  -4.682
  128   2HG   ARG  21          1HG       ARG  21   6.200  -8.347  -4.209
  129   1HD   ARG  21          2HD       ARG  21   4.067  -6.544  -5.386
  130   2HD   ARG  21          1HD       ARG  21   4.985  -7.739  -6.304
  131    HE   ARG  21           HE       ARG  21   3.787  -9.020  -4.044
  132   1HH1  ARG  21          1HH2      ARG  21   3.655  -8.789  -7.352
  133   2HH1  ARG  21          2HH2      ARG  21   1.979  -9.195  -7.510
  134   1HH2  ARG  21          1HH1      ARG  21   1.341  -9.010  -4.106
  135   2HH2  ARG  21          2HH1      ARG  21   0.670  -9.323  -5.671
  136    HA   PRO  22           HA       PRO  22   6.350  -5.092   1.690
  137   1HB   PRO  22          2HB       PRO  22   9.005  -4.711   2.295
  138   2HB   PRO  22          1HB       PRO  22   8.093  -6.164   2.742
  139   1HG   PRO  22          2HG       PRO  22  10.127  -5.813   0.587
  140   2HG   PRO  22          1HG       PRO  22   9.684  -7.275   1.485
  141   1HD   PRO  22          2HD       PRO  22   8.854  -6.640  -1.140
  142   2HD   PRO  22          1HD       PRO  22   8.146  -7.894  -0.100
  143    H    LEU  23           H        LEU  23   5.556  -3.215   0.610
  144    HA   LEU  23           HA       LEU  23   7.552  -1.394  -0.633
  145   1HB   LEU  23          2HB       LEU  23   4.542  -1.069  -0.420
  146   2HB   LEU  23          1HB       LEU  23   5.635  -0.141  -1.448
  147    HG   LEU  23           HG       LEU  23   5.011  -3.101  -1.664
  148   1HD1  LEU  23          1HD1      LEU  23   4.568  -0.795  -3.586
  149   2HD1  LEU  23          2HD1      LEU  23   3.311  -1.533  -2.591
  150   3HD1  LEU  23          3HD1      LEU  23   4.105  -2.476  -3.853
  151   1HD2  LEU  23          1HD2      LEU  23   7.331  -2.871  -2.188
  152   2HD2  LEU  23          2HD2      LEU  23   7.060  -1.356  -3.049
  153   3HD2  LEU  23          3HD2      LEU  23   6.496  -2.877  -3.741
  154    H    CYS  24           H        CYS  24   8.385   0.270   0.587
  155    HA   CYS  24           HA       CYS  24   7.193   0.745   3.246
  156   1HB   CYS  24          2HB       CYS  24   9.783   1.329   1.924
  157   2HB   CYS  24          1HB       CYS  24   9.234   2.529   3.095
  158    H    GLY  25           H        GLY  25   5.210   1.722   2.498
  159   1HA   GLY  25          2HA       GLY  25   4.877   3.849   0.742
  160   2HA   GLY  25          1HA       GLY  25   3.905   3.656   2.201
  161    H    SER  26           H        SER  26   5.010   6.131   0.937
  162    HA   SER  26           HA       SER  26   7.208   7.210   2.316
  163   1HB   SER  26          2HB       SER  26   5.604   8.216   0.461
  164   2HB   SER  26          1HB       SER  26   4.809   8.938   1.855
  165    HG   SER  26           HG       SER  26   7.018   9.615   2.464
  166    H    ASP  27           H        ASP  27   4.137   6.314   3.583
  167    HA   ASP  27           HA       ASP  27   4.295   8.111   5.902
  168   1HB   ASP  27          2HB       ASP  27   2.245   7.033   6.619
  169   2HB   ASP  27          1HB       ASP  27   2.118   7.359   4.891
  170    H    ASN  28           H        ASN  28   6.386   5.939   5.252
  171    HA   ASN  28           HA       ASN  28   7.714   4.454   6.485
  172   1HB   ASN  28          2HB       ASN  28   6.853   6.471   8.253
  173   2HB   ASN  28          1HB       ASN  28   6.591   4.952   9.111
  174   1HD2  ASN  28          1HD2      ASN  28   8.648   3.335   8.482
  175   2HD2  ASN  28          2HD2      ASN  28  10.154   4.056   8.795
  176    H    LYS  29           H        LYS  29   5.241   3.465   5.403
  177    HA   LYS  29           HA       LYS  29   4.511   1.483   7.518
  178   1HB   LYS  29          2HB       LYS  29   2.770   3.225   6.455
  179   2HB   LYS  29          1HB       LYS  29   2.662   1.953   5.237
  180   1HG   LYS  29          2HG       LYS  29   2.624   1.037   8.054
  181   2HG   LYS  29          1HG       LYS  29   1.207   1.946   7.526
  182   1HD   LYS  29          2HD       LYS  29   0.522   0.303   6.098
  183   2HD   LYS  29          1HD       LYS  29   2.170  -0.103   5.619
  184   1HE   LYS  29          2HE       LYS  29   1.615  -1.999   6.834
  185   2HE   LYS  29          1HE       LYS  29   2.320  -1.005   8.108
  186   1HZ   LYS  29          1HZ       LYS  29  -0.142  -0.151   8.269
  187   2HZ   LYS  29          2HZ       LYS  29   0.357  -1.559   9.078
  188   3HZ   LYS  29          3HZ       LYS  29  -0.483  -1.675   7.607
  189    H    THR  30           H        THR  30   4.996  -0.592   7.051
  190    HA   THR  30           HA       THR  30   6.013  -1.248   4.365
  191    HB   THR  30           HB       THR  30   5.711  -3.026   6.808
  192    HG1  THR  30           1HG      THR  30   7.703  -1.251   5.933
  193   1HG2  THR  30          1HG2      THR  30   6.336  -4.649   5.382
  194   2HG2  THR  30          2HG2      THR  30   7.870  -3.803   5.174
  195   3HG2  THR  30          3HG2      THR  30   6.530  -3.486   4.071
  196    H    TYR  31           H        TYR  31   4.685  -2.076   2.815
  197    HA   TYR  31           HA       TYR  31   2.035  -3.119   3.659
  198   1HB   TYR  31          2HB       TYR  31   3.110  -1.904   1.124
  199   2HB   TYR  31          1HB       TYR  31   1.641  -2.874   1.098
  200    HD1  TYR  31           1HD      TYR  31   3.030   0.353   1.757
  201    HD2  TYR  31           2HD      TYR  31  -0.223  -2.252   2.799
  202    HE1  TYR  31           1HE      TYR  31   1.743   2.297   2.600
  203    HE2  TYR  31           2HE      TYR  31  -1.510  -0.306   3.643
  204    HH   TYR  31           HH       TYR  31  -1.577   1.911   3.829
  205    H    GLY  32           H        GLY  32   1.271  -5.120   2.748
  206   1HA   GLY  32          2HA       GLY  32   3.351  -7.124   2.456
  207   2HA   GLY  32          1HA       GLY  32   1.615  -7.410   2.314
  208    H    ASN  33           H        ASN  33   1.494  -5.161   0.244
  209    HA   ASN  33           HA       ASN  33   3.125  -5.849  -1.988
  210   1HB   ASN  33          2HB       ASN  33   1.235  -7.053  -3.284
  211   2HB   ASN  33          1HB       ASN  33   2.137  -7.996  -2.097
  212   1HD2  ASN  33          1HD2      ASN  33   0.701  -9.293  -0.943
  213   2HD2  ASN  33          2HD2      ASN  33  -0.833  -8.805  -0.401
  214    H    LYS  34           H        LYS  34   2.144  -4.978  -4.058
  215    HA   LYS  34           HA       LYS  34   1.173  -2.348  -3.688
  216   1HB   LYS  34          2HB       LYS  34   1.821  -4.080  -5.926
  217   2HB   LYS  34          1HB       LYS  34   0.389  -3.111  -6.273
  218   1HG   LYS  34          2HG       LYS  34   1.537  -1.110  -6.141
  219   2HG   LYS  34          1HG       LYS  34   2.728  -1.746  -5.005
  220   1HD   LYS  34          2HD       LYS  34   3.323  -3.296  -7.110
  221   2HD   LYS  34          1HD       LYS  34   2.672  -1.909  -7.983
  222   1HE   LYS  34          2HE       LYS  34   4.287  -0.740  -6.053
  223   2HE   LYS  34          1HE       LYS  34   5.201  -2.170  -6.532
  224   1HZ   LYS  34          1HZ       LYS  34   5.513  -1.390  -8.604
  225   2HZ   LYS  34          2HZ       LYS  34   5.270   0.121  -7.867
  226   3HZ   LYS  34          3HZ       LYS  34   3.992  -0.643  -8.687
  227    H    CYS  35           H        CYS  35  -0.515  -5.309  -3.536
  228    HA   CYS  35           HA       CYS  35  -3.089  -4.311  -4.434
  229   1HB   CYS  35          2HB       CYS  35  -2.936  -6.634  -4.519
  230   2HB   CYS  35          1HB       CYS  35  -2.072  -6.746  -2.995
  231    H    ASN  36           H        ASN  36  -1.363  -4.608  -1.386
  232    HA   ASN  36           HA       ASN  36  -3.590  -3.566   0.203
  233   1HB   ASN  36          2HB       ASN  36  -1.285  -5.026   0.748
  234   2HB   ASN  36          1HB       ASN  36  -0.927  -3.432   1.407
  235   1HD2  ASN  36          1HD2      ASN  36  -3.199  -6.161   1.615
  236   2HD2  ASN  36          2HD2      ASN  36  -3.866  -5.713   3.110
  237    H    PHE  37           H        PHE  37  -0.832  -2.329  -1.517
  238    HA   PHE  37           HA       PHE  37  -0.814   0.259  -0.164
  239   1HB   PHE  37          2HB       PHE  37   1.214  -0.780  -1.273
  240   2HB   PHE  37          1HB       PHE  37   0.427  -0.495  -2.824
  241    HD1  PHE  37           1HD      PHE  37  -0.429   1.923  -3.280
  242    HD2  PHE  37           2HD      PHE  37   2.534   0.946  -0.326
  243    HE1  PHE  37           1HE      PHE  37   0.357   4.273  -3.294
  244    HE2  PHE  37           2HE      PHE  37   3.321   3.302  -0.341
  245    HZ   PHE  37           HZ       PHE  37   2.230   4.961  -1.827
  246    H    CYS  38           H        CYS  38  -2.220  -1.119  -3.066
  247    HA   CYS  38           HA       CYS  38  -3.086   1.418  -4.164
  248   1HB   CYS  38          2HB       CYS  38  -3.465  -1.464  -4.795
  249   2HB   CYS  38          1HB       CYS  38  -4.741  -0.374  -5.339
  250    H    CYS  39           H        CYS  39  -4.330  -0.889  -1.849
  251    HA   CYS  39           HA       CYS  39  -7.023   0.273  -1.936
  252   1HB   CYS  39          2HB       CYS  39  -5.877  -2.112  -0.872
  253   2HB   CYS  39          1HB       CYS  39  -6.626  -1.227   0.462
  254    H    ALA  40           H        ALA  40  -4.165   0.448   0.143
  255    HA   ALA  40           HA       ALA  40  -5.364   2.133   2.142
  256   1HB   ALA  40          1HB       ALA  40  -2.686   1.186   1.453
  257   2HB   ALA  40          2HB       ALA  40  -3.345   1.608   3.033
  258   3HB   ALA  40          3HB       ALA  40  -2.669   2.864   1.995
  259    H    VAL  41           H        VAL  41  -4.309   2.619  -1.095
  260    HA   VAL  41           HA       VAL  41  -3.941   5.504  -0.900
  261    HB   VAL  41           HB       VAL  41  -4.162   3.546  -3.193
  262   1HG1  VAL  41          1HG1      VAL  41  -3.292   5.989  -4.235
  263   2HG1  VAL  41          2HG1      VAL  41  -4.657   6.424  -3.207
  264   3HG1  VAL  41          3HG1      VAL  41  -4.871   5.248  -4.504
  265   1HG2  VAL  41          1HG2      VAL  41  -2.061   4.031  -1.651
  266   2HG2  VAL  41          2HG2      VAL  41  -1.905   5.453  -2.683
  267   3HG2  VAL  41          3HG2      VAL  41  -1.867   3.838  -3.393
  268    H    VAL  42           H        VAL  42  -6.514   3.326  -2.053
  269    HA   VAL  42           HA       VAL  42  -8.314   5.348  -2.939
  270    HB   VAL  42           HB       VAL  42  -9.008   2.658  -1.704
  271   1HG1  VAL  42          1HG1      VAL  42 -11.133   3.340  -1.993
  272   2HG1  VAL  42          2HG1      VAL  42 -10.818   3.406  -3.728
  273   3HG1  VAL  42          3HG1      VAL  42 -10.595   4.847  -2.735
  274   1HG2  VAL  42          1HG2      VAL  42  -7.779   1.962  -3.513
  275   2HG2  VAL  42          2HG2      VAL  42  -7.950   3.505  -4.351
  276   3HG2  VAL  42          3HG2      VAL  42  -9.270   2.336  -4.378
  277    H    GLU  43           H        GLU  43  -7.508   4.191   0.267
  278    HA   GLU  43           HA       GLU  43  -9.779   5.644   1.478
  279   1HB   GLU  43          2HB       GLU  43  -7.473   4.227   2.847
  280   2HB   GLU  43          1HB       GLU  43  -8.992   4.732   3.586
  281   1HG   GLU  43          2HG       GLU  43  -8.928   2.829   1.242
  282   2HG   GLU  43          1HG       GLU  43  -8.795   2.255   2.905
  283    H    SER  44           H        SER  44  -6.480   6.170   0.640
  284    HA   SER  44           HA       SER  44  -6.167   8.399   2.557
  285   1HB   SER  44          2HB       SER  44  -4.391   6.719   1.004
  286   2HB   SER  44          1HB       SER  44  -4.036   8.419   0.713
  287    HG   SER  44           HG       SER  44  -4.036   8.657   3.037
  288    H    ASN  45           H        ASN  45  -7.864   8.101  -0.170
  289    HA   ASN  45           HA       ASN  45  -8.669   9.634  -1.739
  290   1HB   ASN  45          2HB       ASN  45  -7.583  11.284   0.471
  291   2HB   ASN  45          1HB       ASN  45  -7.779  12.105  -1.074
  292   1HD2  ASN  45          1HD2      ASN  45  -9.956  12.360  -1.922
  293   2HD2  ASN  45          2HD2      ASN  45 -11.325  12.048  -0.970
  294    H    GLY  46           H        GLY  46  -6.238   8.267  -2.297
  295   1HA   GLY  46          2HA       GLY  46  -4.435   8.347  -3.793
  296   2HA   GLY  46          1HA       GLY  46  -5.256   9.731  -4.518
  297    H    THR  47           H        THR  47  -4.336   9.807  -1.148
  298    HA   THR  47           HA       THR  47  -2.346  11.915  -1.853
  299    HB   THR  47           HB       THR  47  -4.359  12.367  -0.284
  300    HG1  THR  47           1HG      THR  47  -2.121  13.439  -0.502
  301   1HG2  THR  47          1HG2      THR  47  -2.716  11.462   1.984
  302   2HG2  THR  47          2HG2      THR  47  -3.405  10.150   1.026
  303   3HG2  THR  47          3HG2      THR  47  -4.460  11.365   1.748
  304    H    LEU  48           H        LEU  48  -2.546   8.704  -0.783
  305    HA   LEU  48           HA       LEU  48  -0.221   8.703   0.960
  306   1HB   LEU  48          2HB       LEU  48  -2.138   6.936   0.764
  307   2HB   LEU  48          1HB       LEU  48  -1.169   6.284  -0.559
  308    HG   LEU  48           HG       LEU  48   0.770   6.087   0.942
  309   1HD1  LEU  48          1HD1      LEU  48   0.856   7.315   2.826
  310   2HD1  LEU  48          2HD1      LEU  48  -0.508   6.407   3.476
  311   3HD1  LEU  48          3HD1      LEU  48  -0.791   7.875   2.540
  312   1HD2  LEU  48          1HD2      LEU  48  -1.610   4.870   2.351
  313   2HD2  LEU  48          2HD2      LEU  48   0.006   4.192   2.156
  314   3HD2  LEU  48          3HD2      LEU  48  -1.079   4.297   0.770
  315    H    THR  49           H        THR  49   1.908   7.993   0.414
  316    HA   THR  49           HA       THR  49   2.463   7.794  -2.513
  317    HB   THR  49           HB       THR  49   4.577   9.099  -2.061
  318    HG1  THR  49           1HG      THR  49   4.401  10.409  -0.114
  319   1HG2  THR  49          1HG2      THR  49   2.449  10.076  -3.020
  320   2HG2  THR  49          2HG2      THR  49   3.489  11.240  -2.198
  321   3HG2  THR  49          3HG2      THR  49   2.049  10.619  -1.391
  322    H    LEU  50           H        LEU  50   5.184   7.358  -2.379
  323    HA   LEU  50           HA       LEU  50   5.359   4.846  -0.760
  324   1HB   LEU  50          2HB       LEU  50   5.275   4.609  -3.294
  325   2HB   LEU  50          1HB       LEU  50   6.837   5.428  -3.338
  326    HG   LEU  50           HG       LEU  50   7.874   3.693  -2.036
  327   1HD1  LEU  50          1HD1      LEU  50   6.134   1.655  -1.603
  328   2HD1  LEU  50          2HD1      LEU  50   5.044   3.028  -1.425
  329   3HD1  LEU  50          3HD1      LEU  50   6.475   2.901  -0.402
  330   1HD2  LEU  50          1HD2      LEU  50   7.943   2.876  -4.193
  331   2HD2  LEU  50          2HD2      LEU  50   6.189   2.904  -4.371
  332   3HD2  LEU  50          3HD2      LEU  50   6.963   1.607  -3.460
  333    H    SER  51           H        SER  51   7.738   4.267  -0.291
  334    HA   SER  51           HA       SER  51   9.335   6.752   0.138
  335   1HB   SER  51          2HB       SER  51   8.082   5.548   2.186
  336   2HB   SER  51          1HB       SER  51   9.537   4.556   2.144
  337    HG   SER  51           HG       SER  51   9.605   7.386   2.086
  338    H    HIS  52           H        HIS  52   9.418   3.190  -0.087
  339    HA   HIS  52           HA       HIS  52  11.613   3.125  -1.856
  340   1HB   HIS  52          2HB       HIS  52  13.469   2.495  -0.407
  341   2HB   HIS  52          1HB       HIS  52  12.863   4.072   0.091
  342    HD1  HIS  52           1HD      HIS  52  13.070   0.496   1.176
  343    HD2  HIS  52           2HD      HIS  52  11.511   4.086   2.611
  344    HE1  HIS  52           1HE      HIS  52  12.472   0.096   3.604
  345    H    PHE  53           H        PHE  53  10.918   1.317  -2.813
  346    HA   PHE  53           HA       PHE  53   9.401  -0.777  -1.833
  347   1HB   PHE  53          2HB       PHE  53  11.689  -0.986  -3.817
  348   2HB   PHE  53          1HB       PHE  53  10.386  -2.153  -3.628
  349    HD1  PHE  53           1HD      PHE  53  11.214   1.296  -4.691
  350    HD2  PHE  53           2HD      PHE  53   8.177  -1.734  -4.494
  351    HE1  PHE  53           1HE      PHE  53   9.799   2.612  -6.247
  352    HE2  PHE  53           2HE      PHE  53   6.761  -0.416  -6.045
  353    HZ   PHE  53           HZ       PHE  53   7.573   1.755  -6.923
  354    H    GLY  54           H        GLY  54   9.923  -1.594   0.222
  355   1HA   GLY  54          2HA       GLY  54  11.757  -3.662   0.530
  356   2HA   GLY  54          1HA       GLY  54  12.656  -2.214   0.979
  357    H    LYS  55           H        LYS  55  12.299  -4.067   2.929
  358    HA   LYS  55           HA       LYS  55   9.886  -3.589   4.490
  359   1HB   LYS  55          2HB       LYS  55  11.345  -5.692   4.545
  360   2HB   LYS  55          1HB       LYS  55  12.494  -4.751   5.495
  361   1HG   LYS  55          2HG       LYS  55  11.194  -4.815   7.358
  362   2HG   LYS  55          1HG       LYS  55   9.708  -4.565   6.440
  363   1HD   LYS  55          2HD       LYS  55   9.243  -6.760   6.575
  364   2HD   LYS  55          1HD       LYS  55  10.756  -7.136   5.752
  365   1HE   LYS  55          2HE       LYS  55  11.370  -6.384   8.443
  366   2HE   LYS  55          1HE       LYS  55  10.089  -7.596   8.487
  367   1HZ   LYS  55          1HZ       LYS  55  11.435  -9.174   7.671
  368   2HZ   LYS  55          2HZ       LYS  55  12.683  -8.172   8.239
  369   3HZ   LYS  55          3HZ       LYS  55  12.225  -8.120   6.604
  370    H    CYS  56           H        CYS  56   9.554  -1.853   5.802
  371    HA   CYS  56           HA       CYS  56  11.505   0.225   6.105
  372   1HB   CYS  56          2HB       CYS  56   8.857  -0.374   7.408
  373   2HB   CYS  56          1HB       CYS  56   9.862   0.943   8.011
  Start of MODEL   15
    1   1H    ALA   3          1HT       ALA   3   6.477  11.412 -11.812
    2   2H    ALA   3          2HT       ALA   3   7.841  10.415 -11.997
    3   3H    ALA   3          3HT       ALA   3   7.984  11.925 -11.229
    4    HA   ALA   3           HA       ALA   3   7.975  10.443  -9.462
    5   1HB   ALA   3          1HB       ALA   3   5.584  10.657  -8.531
    6   2HB   ALA   3          2HB       ALA   3   5.203  11.506 -10.028
    7   3HB   ALA   3          3HB       ALA   3   6.417  12.160  -8.928
    8    H    VAL   4           H        VAL   4   6.586   8.636  -8.346
    9    HA   VAL   4           HA       VAL   4   5.837   6.651 -10.457
   10    HB   VAL   4           HB       VAL   4   6.522   4.923  -8.733
   11   1HG1  VAL   4          1HG1      VAL   4   9.082   6.010  -8.980
   12   2HG1  VAL   4          2HG1      VAL   4   8.192   6.689 -10.342
   13   3HG1  VAL   4          3HG1      VAL   4   8.290   4.940 -10.136
   14   1HG2  VAL   4          1HG2      VAL   4   7.155   5.568  -6.666
   15   2HG2  VAL   4          2HG2      VAL   4   6.631   7.200  -7.083
   16   3HG2  VAL   4          3HG2      VAL   4   8.313   6.723  -7.327
   17    H    SER   5           H        SER   5   4.125   5.137  -9.837
   18    HA   SER   5           HA       SER   5   2.493   5.921  -7.492
   19   1HB   SER   5          2HB       SER   5   0.508   6.309  -8.749
   20   2HB   SER   5          1HB       SER   5   1.762   7.224  -9.580
   21    HG   SER   5           HG       SER   5   0.575   6.001 -11.061
   22    H    VAL   6           H        VAL   6   0.229   4.341  -8.339
   23    HA   VAL   6           HA       VAL   6   1.386   1.629  -8.721
   24    HB   VAL   6           HB       VAL   6   1.247   1.962  -6.284
   25   1HG1  VAL   6          1HG1      VAL   6  -1.468   2.949  -7.046
   26   2HG1  VAL   6          2HG1      VAL   6  -0.364   3.546  -5.808
   27   3HG1  VAL   6          3HG1      VAL   6  -1.314   2.090  -5.515
   28   1HG2  VAL   6          1HG2      VAL   6   0.809  -0.283  -6.995
   29   2HG2  VAL   6          2HG2      VAL   6  -0.816   0.134  -7.538
   30   3HG2  VAL   6          3HG2      VAL   6  -0.444   0.102  -5.814
   31    H    ASP   7           H        ASP   7  -0.098   0.162  -9.675
   32    HA   ASP   7           HA       ASP   7  -2.240   1.362 -11.200
   33   1HB   ASP   7          2HB       ASP   7  -2.660  -0.875 -12.023
   34   2HB   ASP   7          1HB       ASP   7  -0.913  -0.668 -11.905
   35    H    CYS   8           H        CYS   8  -4.268   1.781 -10.476
   36    HA   CYS   8           HA       CYS   8  -5.464   0.005  -8.420
   37   1HB   CYS   8          2HB       CYS   8  -4.284   2.347  -7.634
   38   2HB   CYS   8          1HB       CYS   8  -5.934   2.883  -7.948
   39    H    SER   9           H        SER   9  -6.171   0.018 -11.068
   40    HA   SER   9           HA       SER   9  -8.021   1.792 -12.095
   41   1HB   SER   9          2HB       SER   9  -8.507  -1.180 -12.208
   42   2HB   SER   9          1HB       SER   9  -8.840   0.030 -13.442
   43    HG   SER   9           HG       SER   9  -6.950  -1.061 -13.964
   44    H    GLU  10           H        GLU  10  -9.158   2.704 -10.299
   45    HA   GLU  10           HA       GLU  10 -10.804   2.779  -8.588
   46   1HB   GLU  10          2HB       GLU  10 -11.823   2.334 -11.232
   47   2HB   GLU  10          1HB       GLU  10 -12.884   1.535 -10.070
   48   1HG   GLU  10          2HG       GLU  10 -13.729   3.519  -9.436
   49   2HG   GLU  10          1HG       GLU  10 -12.115   4.093  -9.014
   50    H    TYR  11           H        TYR  11  -9.214   0.345  -8.319
   51    HA   TYR  11           HA       TYR  11 -11.356  -1.345  -7.120
   52   1HB   TYR  11          2HB       TYR  11 -10.546  -3.356  -8.027
   53   2HB   TYR  11          1HB       TYR  11 -10.477  -2.229  -9.378
   54    HD1  TYR  11           1HD      TYR  11  -8.651  -4.592  -7.465
   55    HD2  TYR  11           2HD      TYR  11  -8.194  -0.927  -9.657
   56    HE1  TYR  11           1HE      TYR  11  -6.221  -5.026  -7.686
   57    HE2  TYR  11           2HE      TYR  11  -5.765  -1.363  -9.878
   58    HH   TYR  11           HH       TYR  11  -4.137  -3.651  -8.044
   59    HA   PRO  12           HA       PRO  12  -8.234  -0.713  -3.894
   60   1HB   PRO  12          2HB       PRO  12 -10.090  -0.611  -1.871
   61   2HB   PRO  12          1HB       PRO  12  -9.638   0.798  -2.845
   62   1HG   PRO  12          2HG       PRO  12 -12.134  -0.829  -2.950
   63   2HG   PRO  12          1HG       PRO  12 -11.877   0.862  -3.408
   64   1HD   PRO  12          2HD       PRO  12 -12.056  -1.340  -5.187
   65   2HD   PRO  12          1HD       PRO  12 -11.502   0.298  -5.596
   66    H    LYS  13           H        LYS  13  -8.024  -2.094  -1.746
   67    HA   LYS  13           HA       LYS  13  -9.509  -4.561  -1.569
   68   1HB   LYS  13          2HB       LYS  13  -7.050  -4.507  -3.220
   69   2HB   LYS  13          1HB       LYS  13  -7.160  -5.830  -2.057
   70   1HG   LYS  13          2HG       LYS  13  -9.718  -5.502  -3.295
   71   2HG   LYS  13          1HG       LYS  13  -8.494  -5.591  -4.561
   72   1HD   LYS  13          2HD       LYS  13  -7.758  -7.718  -3.874
   73   2HD   LYS  13          1HD       LYS  13  -8.463  -7.546  -2.268
   74   1HE   LYS  13          2HE       LYS  13 -10.331  -8.570  -2.988
   75   2HE   LYS  13          1HE       LYS  13 -10.577  -7.277  -4.163
   76   1HZ   LYS  13          1HZ       LYS  13  -8.537  -9.201  -4.873
   77   2HZ   LYS  13          2HZ       LYS  13  -9.771  -8.520  -5.824
   78   3HZ   LYS  13          3HZ       LYS  13 -10.109  -9.836  -4.805
   79    H    CYS  14           H        CYS  14  -9.576  -4.190   0.638
   80    HA   CYS  14           HA       CYS  14  -7.035  -3.799   2.103
   81   1HB   CYS  14          2HB       CYS  14  -9.851  -3.988   3.212
   82   2HB   CYS  14          1HB       CYS  14  -8.424  -3.356   4.036
   83    H    ALA  15           H        ALA  15  -7.910  -6.341   0.712
   84    HA   ALA  15           HA       ALA  15  -7.206  -8.160   2.927
   85   1HB   ALA  15          1HB       ALA  15  -9.093  -9.567   2.743
   86   2HB   ALA  15          2HB       ALA  15  -9.580  -8.860   1.203
   87   3HB   ALA  15          3HB       ALA  15  -9.791  -7.948   2.697
   88    H    CYS  16           H        CYS  16  -5.296  -7.954   1.393
   89    HA   CYS  16           HA       CYS  16  -5.543  -9.204  -1.234
   90   1HB   CYS  16          2HB       CYS  16  -2.952  -8.679   0.213
   91   2HB   CYS  16          1HB       CYS  16  -3.269  -8.650  -1.522
   92    H    THR  17           H        THR  17  -3.797 -10.976  -1.721
   93    HA   THR  17           HA       THR  17  -4.354 -13.191   0.153
   94    HB   THR  17           HB       THR  17  -4.801 -13.599  -2.197
   95    HG1  THR  17           1HG      THR  17  -3.595 -15.452  -2.415
   96   1HG2  THR  17          1HG2      THR  17  -3.533 -12.321  -3.587
   97   2HG2  THR  17          2HG2      THR  17  -2.444 -13.708  -3.557
   98   3HG2  THR  17          3HG2      THR  17  -2.148 -12.331  -2.496
   99    H    MET  18           H        MET  18  -1.537 -14.006  -1.469
  100    HA   MET  18           HA       MET  18   0.093 -13.134   0.874
  101   1HB   MET  18          2HB       MET  18  -0.445 -15.679   0.342
  102   2HB   MET  18          1HB       MET  18   0.881 -15.483  -0.806
  103   1HG   MET  18          2HG       MET  18   2.111 -16.065   1.054
  104   2HG   MET  18          1HG       MET  18   2.032 -14.324   1.317
  105   1HE   MET  18          1HE       MET  18   0.137 -17.414   1.419
  106   2HE   MET  18          2HE       MET  18  -0.965 -17.347   2.792
  107   3HE   MET  18          3HE       MET  18   0.694 -17.891   3.030
  108    H    GLU  19           H        GLU  19  -0.384 -11.980  -1.989
  109    HA   GLU  19           HA       GLU  19   1.871 -12.185  -3.613
  110   1HB   GLU  19          2HB       GLU  19  -0.149 -10.124  -3.079
  111   2HB   GLU  19          1HB       GLU  19   1.394  -9.454  -3.606
  112   1HG   GLU  19          2HG       GLU  19   0.008  -9.919  -5.562
  113   2HG   GLU  19          1HG       GLU  19   1.376 -11.032  -5.539
  114    H    TYR  20           H        TYR  20   4.026 -11.618  -3.384
  115    HA   TYR  20           HA       TYR  20   4.760 -10.302  -0.811
  116   1HB   TYR  20          2HB       TYR  20   5.727 -12.610  -1.746
  117   2HB   TYR  20          1HB       TYR  20   6.824 -11.499  -2.568
  118    HD1  TYR  20           1HD      TYR  20   8.507 -10.292  -1.394
  119    HD2  TYR  20           2HD      TYR  20   5.532 -12.515   0.765
  120    HE1  TYR  20           1HE      TYR  20   9.772  -9.942   0.709
  121    HE2  TYR  20           2HE      TYR  20   6.799 -12.167   2.869
  122    HH   TYR  20           HH       TYR  20   8.949  -9.926   3.366
  123    H    ARG  21           H        ARG  21   4.617  -8.161  -1.319
  124    HA   ARG  21           HA       ARG  21   6.712  -7.098  -3.107
  125   1HB   ARG  21          2HB       ARG  21   3.956  -5.901  -3.299
  126   2HB   ARG  21          1HB       ARG  21   5.291  -5.799  -4.446
  127   1HG   ARG  21          2HG       ARG  21   3.893  -8.406  -3.817
  128   2HG   ARG  21          1HG       ARG  21   3.365  -7.338  -5.118
  129   1HD   ARG  21          2HD       ARG  21   5.175  -7.824  -6.432
  130   2HD   ARG  21          1HD       ARG  21   6.267  -7.957  -5.053
  131    HE   ARG  21           HE       ARG  21   4.837 -10.195  -4.694
  132   1HH1  ARG  21          1HH2      ARG  21   7.313  -9.539  -6.696
  133   2HH1  ARG  21          2HH2      ARG  21   6.914 -10.685  -7.932
  134   1HH2  ARG  21          1HH1      ARG  21   3.753 -11.344  -6.672
  135   2HH2  ARG  21          2HH1      ARG  21   4.900 -11.706  -7.919
  136    HA   PRO  22           HA       PRO  22   6.479  -4.887   0.854
  137   1HB   PRO  22          2HB       PRO  22   9.198  -4.500   1.010
  138   2HB   PRO  22          1HB       PRO  22   8.375  -5.962   1.583
  139   1HG   PRO  22          2HG       PRO  22  10.015  -5.573  -0.882
  140   2HG   PRO  22          1HG       PRO  22   9.738  -7.047   0.060
  141   1HD   PRO  22          2HD       PRO  22   8.472  -6.398  -2.377
  142   2HD   PRO  22          1HD       PRO  22   7.942  -7.656  -1.237
  143    H    LEU  23           H        LEU  23   5.829  -2.797   0.617
  144    HA   LEU  23           HA       LEU  23   7.471  -1.008  -1.133
  145   1HB   LEU  23          2HB       LEU  23   4.538  -0.604  -0.529
  146   2HB   LEU  23          1HB       LEU  23   5.501   0.146  -1.801
  147    HG   LEU  23           HG       LEU  23   5.277  -2.840  -1.765
  148   1HD1  LEU  23          1HD1      LEU  23   2.977  -2.412  -1.584
  149   2HD1  LEU  23          2HD1      LEU  23   3.228  -2.413  -3.331
  150   3HD1  LEU  23          3HD1      LEU  23   3.096  -0.886  -2.460
  151   1HD2  LEU  23          1HD2      LEU  23   5.246  -2.344  -4.272
  152   2HD2  LEU  23          2HD2      LEU  23   6.727  -1.899  -3.424
  153   3HD2  LEU  23          3HD2      LEU  23   5.549  -0.659  -3.848
  154    H    CYS  24           H        CYS  24   8.284   0.785  -0.121
  155    HA   CYS  24           HA       CYS  24   7.634   1.160   2.737
  156   1HB   CYS  24          2HB       CYS  24   9.978   1.232   2.238
  157   2HB   CYS  24          1HB       CYS  24   9.727   2.351   0.898
  158    H    GLY  25           H        GLY  25   5.521   2.073   2.605
  159   1HA   GLY  25          2HA       GLY  25   4.653   4.138   0.913
  160   2HA   GLY  25          1HA       GLY  25   4.047   3.906   2.554
  161    H    SER  26           H        SER  26   4.871   6.378   0.933
  162    HA   SER  26           HA       SER  26   7.211   7.570   1.905
  163   1HB   SER  26          2HB       SER  26   6.135   8.895   0.339
  164   2HB   SER  26          1HB       SER  26   4.546   8.625   1.049
  165    HG   SER  26           HG       SER  26   4.976  10.591   1.770
  166    H    ASP  27           H        ASP  27   4.371   6.735   3.679
  167    HA   ASP  27           HA       ASP  27   4.933   8.631   5.861
  168   1HB   ASP  27          2HB       ASP  27   2.972   7.663   6.936
  169   2HB   ASP  27          1HB       ASP  27   2.597   8.000   5.245
  170    H    ASN  28           H        ASN  28   6.846   6.426   5.045
  171    HA   ASN  28           HA       ASN  28   8.332   4.987   6.150
  172   1HB   ASN  28          2HB       ASN  28   7.947   7.010   7.867
  173   2HB   ASN  28          1HB       ASN  28   7.211   5.718   8.817
  174   1HD2  ASN  28          1HD2      ASN  28  10.181   6.157   6.795
  175   2HD2  ASN  28          2HD2      ASN  28  11.209   5.349   7.879
  176    H    LYS  29           H        LYS  29   5.557   4.103   5.457
  177    HA   LYS  29           HA       LYS  29   5.122   2.088   7.607
  178   1HB   LYS  29          2HB       LYS  29   3.320   3.699   6.250
  179   2HB   LYS  29          1HB       LYS  29   3.157   2.137   5.444
  180   1HG   LYS  29          2HG       LYS  29   1.629   2.138   7.300
  181   2HG   LYS  29          1HG       LYS  29   2.977   1.085   7.734
  182   1HD   LYS  29          2HD       LYS  29   3.880   3.517   8.616
  183   2HD   LYS  29          1HD       LYS  29   2.147   3.656   8.914
  184   1HE   LYS  29          2HE       LYS  29   2.304   1.338  10.001
  185   2HE   LYS  29          1HE       LYS  29   4.053   1.561   9.971
  186   1HZ   LYS  29          1HZ       LYS  29   2.266   2.530  11.848
  187   2HZ   LYS  29          2HZ       LYS  29   2.794   3.884  10.968
  188   3HZ   LYS  29          3HZ       LYS  29   3.923   2.871  11.733
  189    H    THR  30           H        THR  30   4.476  -0.128   6.787
  190    HA   THR  30           HA       THR  30   5.958  -0.801   4.277
  191    HB   THR  30           HB       THR  30   5.949  -2.234   6.944
  192    HG1  THR  30           1HG      THR  30   7.786  -1.264   7.054
  193   1HG2  THR  30          1HG2      THR  30   6.014  -4.160   5.769
  194   2HG2  THR  30          2HG2      THR  30   7.607  -3.644   5.216
  195   3HG2  THR  30          3HG2      THR  30   6.180  -3.303   4.237
  196    H    TYR  31           H        TYR  31   4.406  -1.428   2.837
  197    HA   TYR  31           HA       TYR  31   1.982  -2.808   3.834
  198   1HB   TYR  31          2HB       TYR  31   2.737  -1.598   1.162
  199   2HB   TYR  31          1HB       TYR  31   1.241  -2.482   1.437
  200    HD1  TYR  31           1HD      TYR  31   2.774   0.705   1.552
  201    HD2  TYR  31           2HD      TYR  31  -0.165  -1.716   3.543
  202    HE1  TYR  31           1HE      TYR  31   1.746   2.745   2.519
  203    HE2  TYR  31           2HE      TYR  31  -1.191   0.325   4.507
  204    HH   TYR  31           HH       TYR  31   0.339   3.329   4.503
  205    H    GLY  32           H        GLY  32   1.451  -4.913   3.172
  206   1HA   GLY  32          2HA       GLY  32   3.630  -6.687   2.584
  207   2HA   GLY  32          1HA       GLY  32   1.923  -7.130   2.557
  208    H    ASN  33           H        ASN  33   1.317  -4.995   0.536
  209    HA   ASN  33           HA       ASN  33   2.909  -5.566  -1.808
  210   1HB   ASN  33          2HB       ASN  33   0.946  -6.707  -3.020
  211   2HB   ASN  33          1HB       ASN  33   1.866  -7.691  -1.882
  212   1HD2  ASN  33          1HD2      ASN  33   0.535  -8.891  -0.537
  213   2HD2  ASN  33          2HD2      ASN  33  -1.000  -8.410   0.006
  214    H    LYS  34           H        LYS  34   1.882  -4.566  -3.773
  215    HA   LYS  34           HA       LYS  34   0.962  -1.945  -3.214
  216   1HB   LYS  34          2HB       LYS  34   0.265  -2.007  -5.704
  217   2HB   LYS  34          1HB       LYS  34   1.970  -2.258  -5.331
  218   1HG   LYS  34          2HG       LYS  34   1.871  -4.546  -5.772
  219   2HG   LYS  34          1HG       LYS  34   0.134  -4.629  -5.476
  220   1HD   LYS  34          2HD       LYS  34   0.054  -4.681  -7.766
  221   2HD   LYS  34          1HD       LYS  34   0.138  -2.930  -7.572
  222   1HE   LYS  34          2HE       LYS  34   2.131  -2.863  -8.610
  223   2HE   LYS  34          1HE       LYS  34   2.797  -4.041  -7.479
  224   1HZ   LYS  34          1HZ       LYS  34   1.440  -5.705  -8.904
  225   2HZ   LYS  34          2HZ       LYS  34   2.947  -5.153  -9.463
  226   3HZ   LYS  34          3HZ       LYS  34   1.511  -4.488 -10.085
  227    H    CYS  35           H        CYS  35  -0.764  -4.924  -3.298
  228    HA   CYS  35           HA       CYS  35  -3.349  -3.830  -3.985
  229   1HB   CYS  35          2HB       CYS  35  -3.236  -6.144  -4.225
  230   2HB   CYS  35          1HB       CYS  35  -2.323  -6.364  -2.742
  231    H    ASN  36           H        ASN  36  -1.519  -4.308  -1.023
  232    HA   ASN  36           HA       ASN  36  -3.669  -3.399   0.725
  233   1HB   ASN  36          2HB       ASN  36  -1.287  -4.755   1.109
  234   2HB   ASN  36          1HB       ASN  36  -0.916  -3.147   1.727
  235   1HD2  ASN  36          1HD2      ASN  36  -4.021  -4.962   1.785
  236   2HD2  ASN  36          2HD2      ASN  36  -4.185  -4.927   3.473
  237    H    PHE  37           H        PHE  37  -1.056  -2.020  -1.106
  238    HA   PHE  37           HA       PHE  37  -1.040   0.560   0.215
  239   1HB   PHE  37          2HB       PHE  37   0.840  -0.378  -1.206
  240   2HB   PHE  37          1HB       PHE  37  -0.176  -0.098  -2.619
  241    HD1  PHE  37           1HD      PHE  37  -0.955   2.261  -3.130
  242    HD2  PHE  37           2HD      PHE  37   2.032   1.398  -0.166
  243    HE1  PHE  37           1HE      PHE  37  -0.220   4.629  -3.181
  244    HE2  PHE  37           2HE      PHE  37   2.768   3.767  -0.216
  245    HZ   PHE  37           HZ       PHE  37   1.642   5.382  -1.725
  246    H    CYS  38           H        CYS  38  -2.842  -0.955  -2.353
  247    HA   CYS  38           HA       CYS  38  -4.039   1.456  -3.412
  248   1HB   CYS  38          2HB       CYS  38  -4.287  -1.441  -3.800
  249   2HB   CYS  38          1HB       CYS  38  -5.831  -0.598  -3.921
  250    H    CYS  39           H        CYS  39  -4.753  -0.758  -0.785
  251    HA   CYS  39           HA       CYS  39  -7.419   0.372  -0.320
  252   1HB   CYS  39          2HB       CYS  39  -7.246  -1.882   0.369
  253   2HB   CYS  39          1HB       CYS  39  -5.675  -1.625   1.125
  254    H    ALA  40           H        ALA  40  -4.138   0.888   0.795
  255    HA   ALA  40           HA       ALA  40  -4.929   2.609   3.023
  256   1HB   ALA  40          1HB       ALA  40  -2.705   1.255   2.701
  257   2HB   ALA  40          2HB       ALA  40  -2.637   2.852   3.446
  258   3HB   ALA  40          3HB       ALA  40  -2.204   2.653   1.748
  259    H    VAL  41           H        VAL  41  -4.436   2.931  -0.368
  260    HA   VAL  41           HA       VAL  41  -3.991   5.834  -0.282
  261    HB   VAL  41           HB       VAL  41  -4.387   3.827  -2.511
  262   1HG1  VAL  41          1HG1      VAL  41  -4.644   6.770  -2.526
  263   2HG1  VAL  41          2HG1      VAL  41  -5.218   5.586  -3.698
  264   3HG1  VAL  41          3HG1      VAL  41  -3.539   6.126  -3.739
  265   1HG2  VAL  41          1HG2      VAL  41  -2.042   5.662  -2.000
  266   2HG2  VAL  41          2HG2      VAL  41  -2.084   4.172  -2.943
  267   3HG2  VAL  41          3HG2      VAL  41  -2.183   4.105  -1.183
  268    H    VAL  42           H        VAL  42  -6.641   3.581  -0.840
  269    HA   VAL  42           HA       VAL  42  -8.469   5.780  -1.580
  270    HB   VAL  42           HB       VAL  42  -8.812   2.782  -1.328
  271   1HG1  VAL  42          1HG1      VAL  42 -10.881   4.929  -1.869
  272   2HG1  VAL  42          2HG1      VAL  42 -10.892   3.740  -0.567
  273   3HG1  VAL  42          3HG1      VAL  42 -11.128   3.221  -2.236
  274   1HG2  VAL  42          1HG2      VAL  42  -7.727   3.414  -3.368
  275   2HG2  VAL  42          2HG2      VAL  42  -8.817   4.780  -3.603
  276   3HG2  VAL  42          3HG2      VAL  42  -9.417   3.132  -3.786
  277    H    GLU  43           H        GLU  43  -7.343   4.334   1.268
  278    HA   GLU  43           HA       GLU  43  -9.850   5.005   2.740
  279   1HB   GLU  43          2HB       GLU  43  -8.924   3.705   4.586
  280   2HB   GLU  43          1HB       GLU  43  -8.847   2.744   3.108
  281   1HG   GLU  43          2HG       GLU  43  -6.667   2.446   3.681
  282   2HG   GLU  43          1HG       GLU  43  -6.453   4.063   3.009
  283    H    SER  44           H        SER  44  -6.497   5.923   2.333
  284    HA   SER  44           HA       SER  44  -6.554   7.700   4.683
  285   1HB   SER  44          2HB       SER  44  -4.507   6.403   3.527
  286   2HB   SER  44          1HB       SER  44  -4.403   7.915   2.629
  287    HG   SER  44           HG       SER  44  -4.723   8.752   4.988
  288    H    ASN  45           H        ASN  45  -8.003   7.897   1.788
  289    HA   ASN  45           HA       ASN  45  -8.993   9.749   0.718
  290   1HB   ASN  45          2HB       ASN  45  -8.231  10.773   3.212
  291   2HB   ASN  45          1HB       ASN  45  -7.519  11.881   2.038
  292   1HD2  ASN  45          1HD2      ASN  45  -9.437  13.152   3.342
  293   2HD2  ASN  45          2HD2      ASN  45 -10.913  13.193   2.506
  294    H    GLY  46           H        GLY  46  -6.223   8.530   0.213
  295   1HA   GLY  46          2HA       GLY  46  -4.720   8.821  -1.589
  296   2HA   GLY  46          1HA       GLY  46  -5.513  10.356  -1.952
  297    H    THR  47           H        THR  47  -4.535   9.874   1.317
  298    HA   THR  47           HA       THR  47  -2.448  11.956   0.953
  299    HB   THR  47           HB       THR  47  -4.236  12.213   2.711
  300    HG1  THR  47           1HG      THR  47  -2.647  13.395   3.397
  301   1HG2  THR  47          1HG2      THR  47  -4.099   9.677   3.240
  302   2HG2  THR  47          2HG2      THR  47  -4.322  10.795   4.585
  303   3HG2  THR  47          3HG2      THR  47  -2.727  10.117   4.258
  304    H    LEU  48           H        LEU  48  -2.219   8.944   0.356
  305    HA   LEU  48           HA       LEU  48   0.233   8.502   2.015
  306   1HB   LEU  48          2HB       LEU  48  -1.818   6.937   2.377
  307   2HB   LEU  48          1HB       LEU  48  -1.372   6.251   0.815
  308    HG   LEU  48           HG       LEU  48   1.020   6.504   2.338
  309   1HD1  LEU  48          1HD1      LEU  48  -0.587   6.592   4.292
  310   2HD1  LEU  48          2HD1      LEU  48   0.537   5.232   4.329
  311   3HD1  LEU  48          3HD1      LEU  48  -1.135   4.981   3.828
  312   1HD2  LEU  48          1HD2      LEU  48   1.302   4.498   1.344
  313   2HD2  LEU  48          2HD2      LEU  48  -0.336   4.645   0.709
  314   3HD2  LEU  48          3HD2      LEU  48  -0.054   3.813   2.239
  315    H    THR  49           H        THR  49   2.088   8.024   0.858
  316    HA   THR  49           HA       THR  49   1.775   7.536  -2.075
  317    HB   THR  49           HB       THR  49   3.225   9.229  -2.652
  318    HG1  THR  49           1HG      THR  49   4.814   9.990  -1.122
  319   1HG2  THR  49          1HG2      THR  49   2.892  11.205  -1.132
  320   2HG2  THR  49          2HG2      THR  49   2.119  10.120   0.023
  321   3HG2  THR  49          3HG2      THR  49   1.397  10.378  -1.565
  322    H    LEU  50           H        LEU  50   4.643   7.514  -2.438
  323    HA   LEU  50           HA       LEU  50   5.348   5.023  -0.940
  324   1HB   LEU  50          2HB       LEU  50   4.788   4.698  -3.395
  325   2HB   LEU  50          1HB       LEU  50   6.191   5.696  -3.773
  326    HG   LEU  50           HG       LEU  50   7.674   4.134  -2.652
  327   1HD1  LEU  50          1HD1      LEU  50   6.431   1.894  -1.939
  328   2HD1  LEU  50          2HD1      LEU  50   5.070   2.993  -1.713
  329   3HD1  LEU  50          3HD1      LEU  50   6.568   3.248  -0.818
  330   1HD2  LEU  50          1HD2      LEU  50   6.646   1.949  -3.970
  331   2HD2  LEU  50          2HD2      LEU  50   7.601   3.219  -4.733
  332   3HD2  LEU  50          3HD2      LEU  50   5.840   3.282  -4.798
  333    H    SER  51           H        SER  51   7.815   4.704  -0.888
  334    HA   SER  51           HA       SER  51   9.336   7.229  -1.130
  335   1HB   SER  51          2HB       SER  51   8.369   6.150   1.394
  336   2HB   SER  51          1HB       SER  51  10.125   6.288   1.373
  337    HG   SER  51           HG       SER  51   8.613   8.395   0.335
  338    H    HIS  52           H        HIS  52   9.328   3.743  -0.487
  339    HA   HIS  52           HA       HIS  52  11.886   3.516  -1.890
  340   1HB   HIS  52          2HB       HIS  52  12.968   3.900   0.126
  341   2HB   HIS  52          1HB       HIS  52  11.644   3.245   1.083
  342    HD1  HIS  52           1HD      HIS  52  11.660   0.744   1.586
  343    HD2  HIS  52           2HD      HIS  52  14.742   1.893  -0.972
  344    HE1  HIS  52           1HE      HIS  52  13.203  -1.248   1.393
  345    H    PHE  53           H        PHE  53  10.749   2.136  -3.303
  346    HA   PHE  53           HA       PHE  53   8.964   0.088  -2.780
  347   1HB   PHE  53          2HB       PHE  53  10.743   0.768  -4.910
  348   2HB   PHE  53          1HB       PHE  53  10.883  -0.966  -4.624
  349    HD1  PHE  53           1HD      PHE  53   8.602   1.773  -5.567
  350    HD2  PHE  53           2HD      PHE  53   8.986  -2.459  -4.943
  351    HE1  PHE  53           1HE      PHE  53   6.432   1.407  -6.709
  352    HE2  PHE  53           2HE      PHE  53   6.815  -2.826  -6.084
  353    HZ   PHE  53           HZ       PHE  53   5.538  -0.893  -6.967
  354    H    GLY  54           H        GLY  54   9.302  -1.029  -0.832
  355   1HA   GLY  54          2HA       GLY  54  10.494  -3.425  -0.624
  356   2HA   GLY  54          1HA       GLY  54  11.896  -2.378  -0.397
  357    H    LYS  55           H        LYS  55  11.790  -3.602   1.777
  358    HA   LYS  55           HA       LYS  55   9.701  -2.878   3.645
  359   1HB   LYS  55          2HB       LYS  55  11.388  -3.744   5.352
  360   2HB   LYS  55          1HB       LYS  55  10.910  -4.891   4.100
  361   1HG   LYS  55          2HG       LYS  55  12.934  -4.575   2.889
  362   2HG   LYS  55          1HG       LYS  55  13.346  -3.126   3.808
  363   1HD   LYS  55          2HD       LYS  55  12.940  -5.433   5.545
  364   2HD   LYS  55          1HD       LYS  55  14.213  -5.720   4.359
  365   1HE   LYS  55          2HE       LYS  55  14.259  -3.054   5.646
  366   2HE   LYS  55          1HE       LYS  55  14.622  -4.413   6.709
  367   1HZ   LYS  55          1HZ       LYS  55  16.264  -3.227   4.763
  368   2HZ   LYS  55          2HZ       LYS  55  15.967  -4.835   4.308
  369   3HZ   LYS  55          3HZ       LYS  55  16.636  -4.491   5.831
  370    H    CYS  56           H        CYS  56   9.892  -1.400   5.427
  371    HA   CYS  56           HA       CYS  56  12.077   0.619   5.145
  372   1HB   CYS  56          2HB       CYS  56   9.351   1.023   4.549
  373   2HB   CYS  56          1HB       CYS  56   9.618   1.801   6.108