*HEADER    HYDROLASE                               23-JUL-02   1IY5              
*TITLE     SOLUTION STRUCTURE OF WILD TYPE OMSVP3                                
*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                                                      
*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                                           
*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 1IY5    0                                                
set message=off echo=off end

assign (resid    4 and  name HN   )(resid    4 and  name HB   ) 2.0 0.2 1.5 
assign (resid    4 and  name HN   )(resid    4 and  name HG*  ) 2.0 0.2 4.4
assign (resid    4 and  name HA   )(resid    5 and  name HN   ) 2.0 0.2 1.5
assign (resid    4 and  name HB   )(resid   50 and  name HD2* ) 4.0 2.2 2.4
assign (resid    4 and  name HG*  )(resid    5 and  name HN   ) 2.0 0.2 5.9
assign (resid    4 and  name HG2* )(resid   50 and  name HN   ) 5.0 3.2 2.4
assign (resid    4 and  name HG*  )(resid   50 and  name HD2* ) 3.5 1.7 4.8
assign (resid    4 and  name HG2* )(resid   50 and  name HD1* ) 3.5 1.7 4.8
assign (resid    4 and  name HG1* )(resid   53 and  name HE1  ) 3.5 1.7 2.4
assign (resid    4 and  name HG2* )(resid   53 and  name HE1  ) 3.5 1.7 2.4
assign (resid    5 and  name HN   )(resid    5 and  name HB#  ) 2.5 0.7 1.0
assign (resid    5 and  name HA   )(resid    6 and  name HN   ) 5.0 3.2 0.0
assign (resid    5 and  name HB#  )(resid   50 and  name HN   ) 5.0 3.2 1.0
assign (resid    6 and  name HN   )(resid    6 and  name HB   ) 4.0 2.2 0.0
assign (resid    6 and  name HN   )(resid    6 and  name HG1* ) 3.0 1.2 2.4
assign (resid    6 and  name HN   )(resid    6 and  name HG2* ) 3.0 1.2 2.4
assign (resid    6 and  name HA   )(resid    7 and  name HN   ) 2.5 0.7 0.0
assign (resid    6 and  name HB   )(resid    7 and  name HN   ) 4.0 2.2 0.0
assign (resid    6 and  name HB   )(resid   23 and  name HD1* ) 5.0 3.2 2.4
assign (resid    6 and  name HB   )(resid   37 and  name HD1  ) 4.0 2.2 2.4
assign (resid    6 and  name HB   )(resid   53 and  name HE2  ) 5.0 3.2 0.0
assign (resid    7 and  name HN   )(resid    7 and  name HB1  ) 3.0 1.2 0.0
assign (resid    7 and  name HN   )(resid    7 and  name HB2  ) 3.0 1.2 0.0
assign (resid    7 and  name HB1  )(resid    9 and  name HN   ) 4.5 2.7 0.0
assign (resid    7 and  name HB2  )(resid    9 and  name HN   ) 5.0 3.2 0.0
assign (resid    8 and  name HN   )(resid    8 and  name HB#  ) 2.8 1.0 1.0
assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 3.5 1.7 0.0
assign (resid    8 and  name HA   )(resid    9 and  name HN   ) 3.5 1.7 0.0
assign (resid    8 and  name HA   )(resid    10 and  name HN   ) 5.0 3.2 0.0
assign (resid    8 and  name HA   )(resid    11 and  name HN   ) 5.0 3.2 0.0
assign (resid    8 and  name HA   )(resid    11 and  name HE2  ) 4.0 2.2 0.0
assign (resid    8 and  name HA   )(resid   38 and  name HB1  ) 3.5 1.7 0.0
assign (resid    8 and  name HA   )(resid   38 and  name HB2  ) 4.5 2.7 0.0
assign (resid    8 and  name HB#  )(resid    9 and  name HN   ) 4.0 2.2 1.0
assign (resid    8 and  name HB#  )(resid    11 and  name HN   ) 5.0 3.2 1.0
assign (resid    8 and  name HB#  )(resid   38 and  name HB1  ) 4.0 1.2 1.0
assign (resid    8 and  name HB#  )(resid   38 and  name HB2  ) 5.0 1.2 1.0
assign (resid    9 and  name HN   )(resid    9 and  name HB#  ) 3.5 1.7 1.0
assign (resid    9 and  name HA   )(resid    10 and  name HN   ) 5.0 3.2 0.0
assign (resid    10 and  name HN   )(resid    10 and  name HB#  ) 3.5 1.7 1.0
assign (resid    10 and  name HN   )(resid    10 and  name HG#  ) 3.5 1.7 1.0
assign (resid    10 and  name HN   )(resid    11 and  name HN   ) 3.5 1.7 0.0
assign (resid    10 and  name HN   )(resid    11 and  name HE2  ) 4.3 2.5 0.0
assign (resid    10 and  name HA   )(resid    11 and  name HN   ) 3.5 1.7 0.0
assign (resid    10 and  name HB#  )(resid    11 and  name HN   ) 5.0 3.2 1.0
assign (resid    10 and  name HG#  )(resid    11 and  name HE2  ) 5.0 3.2 1.0
assign (resid    11 and  name HN   )(resid    11 and  name HB#  ) 2.8 1.0 1.0
assign (resid    11 and  name HN   )(resid   42 and  name HG2* ) 5.0 3.2 2.4
assign (resid    11 and  name HA   )(resid    11 and  name HD1  ) 3.5 1.7 0.0
assign (resid    11 and  name HA   )(resid    11 and  name HD2  ) 3.5 1.7 0.0
assign (resid    11 and  name HA   )(resid   12 and  name HA   ) 3.5 1.7 0.0
assign (resid    11 and  name HB#  )(resid   42 and  name HG1* ) 4.0 2.2 3.4
assign (resid    11 and  name HB#  )(resid   42 and  name HG2* ) 3.0 1.2 3.4
assign (resid    11 and  name HD1  )(resid   12 and  name HA   ) 2.8 1.0 0.0
assign (resid    11 and  name HD1  )(resid   13 and  name HN   ) 2.8 1.0 0.0
assign (resid    11 and  name HD1  )(resid   13 and  name HB#  ) 4.0 2.2 1.0
assign (resid    11 and  name HD1  )(resid   13 and  name HG#  ) 4.0 2.2 1.0
assign (resid    11 and  name HD2  )(resid   13 and  name HG1  ) 5.0 3.2 0.0
assign (resid    11 and  name HD1  )(resid   13 and  name HD2  ) 5.0 3.2 0.0
assign (resid    11 and  name HD1  )(resid   38 and  name HB1  ) 4.0 2.2 0.0
assign (resid    11 and  name HD1  )(resid   38 and  name HB2  ) 4.0 2.2 0.0
assign (resid    11 and  name HD2  )(resid   38 and  name HB1  ) 3.5 1.7 0.0
assign (resid    11 and  name HD2  )(resid   38 and  name HB2  ) 4.0 2.2 0.0
assign (resid    11 and  name HD1  )(resid   39 and  name HA   ) 3.0 1.2 0.0
assign (resid    11 and  name HD1  )(resid   42 and  name HG2* ) 5.0 3.2 2.4
assign (resid    11 and  name HE1  )(resid   12 and  name HA   ) 5.0 3.2 0.0
assign (resid    11 and  name HE1  )(resid   13 and  name HN   ) 4.5 2.7 0.0      
assign (resid    11 and  name HE1  )(resid   13 and  name HB#  ) 4.0 2.2 1.0
assign (resid    11 and  name HE1  )(resid   13 and  name HG#  ) 4.0 2.2 1.0
assign (resid    11 and  name HE2  )(resid   13 and  name HG#  ) 5.0 3.2 1.0
assign (resid    11 and  name HE1  )(resid   13 and  name HD#  ) 5.0 3.2 1.0
assign (resid    11 and  name HE2  )(resid   13 and  name HD#  ) 5.0 3.2 1.0
assign (resid    11 and  name HE2  )(resid   34 and  name HD#  ) 5.0 3.2 1.0
assign (resid    11 and  name HE1  )(resid   35 and  name HB1  ) 5.0 3.2 0.0
assign (resid    11 and  name HE1  )(resid   35 and  name HB2  ) 4.0 2.2 0.0
assign (resid    11 and  name HE1  )(resid   38 and  name HN   ) 5.0 3.2 0.0
assign (resid    11 and  name HE1  )(resid   38 and  name HB1  ) 4.5 2.7 0.0   
assign (resid    11 and  name HE1  )(resid   38 and  name HB2  ) 3.5 1.7 0.0
assign (resid    11 and  name HE2  )(resid   38 and  name HB1  ) 4.5 2.7 0.0
assign (resid    11 and  name HE2  )(resid   38 and  name HB2  ) 4.0 2.2 0.0
assign (resid    11 and  name HE1  )(resid   39 and  name HA   ) 5.0 3.2 0.0
assign (resid   12 and  name HA   )(resid   13 and  name HN   ) 2.8 1.0 0.0
assign (resid   12 and  name HA   )(resid   42 and  name HG2* ) 4.0 2.2 2.4
assign (resid   12 and  name HB#  )(resid   13 and  name HN   ) 3.5 1.7 1.0
assign (resid   12 and  name HB#  )(resid   42 and  name HG1* ) 4.0 2.2 3.4
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 HG1* ) 3.0 1.2 3.4
assign (resid   12 and  name HD#  )(resid   42 and  name HG2* ) 3.0 1.2 3.4
assign (resid   13 and  name HN   )(resid   13 and  name HB#  ) 3.5 1.7 1.0
assign (resid   13 and  name HN   )(resid   13 and  name HG#  ) 2.8 1.0 1.0
assign (resid   13 and  name HN   )(resid   13 and  name HD#  ) 5.0 3.2 1.0
assign (resid   13 and  name HN   )(resid   15 and  name HN   ) 5.0 3.2 0.0
assign (resid   13 and  name HA   )(resid   15 and  name HN   ) 5.0 3.2 0.0
assign (resid   13 and  name HB#  )(resid   14 and  name HD#  ) 3.5 1.7 2.0
assign (resid   13 and  name HB#  )(resid   15 and  name HN   ) 3.5 1.7 1.0
assign (resid   14 and  name HA   )(resid   15 and  name HN   ) 3.5 1.7 0.0
assign (resid   14 and  name HB#  )(resid   15 and  name HN   ) 5.0 3.2 1.0
assign (resid   14 and  name HG#  )(resid   15 and  name HN   ) 3.5 1.7 1.0
assign (resid   14 and  name HD#  )(resid   15 and  name HN   ) 3.5 1.7 1.0
assign (resid   15 and  name HN   )(resid   15 and  name HB#  ) 4.0 2.2 1.0
assign (resid   15 and  name HA   )(resid   16 and  name HN   ) 2.8 1.0 0.0
assign (resid   15 and  name HB#  )(resid   16 and  name HN   ) 4.0 2.2 1.0
assign (resid   15 and  name HB#  )(resid   16 and  name HA   ) 5.5 3.7 1.0
assign (resid   16 and  name HN   )(resid   16 and  name HB#  ) 2.8 1.0 1.0
assign (resid   16 and  name HA   )(resid   17 and  name HN   ) 2.8 1.0 0.0
assign (resid   16 and  name HA   )(resid   17 and  name HG2# ) 5.5 3.7 1.0
assign (resid   16 and  name HB#  )(resid   17 and  name HN   ) 3.5 1.7 1.0
assign (resid   16 and  name HB#  )(resid   18 and  name HN   ) 6.0 4.2 1.0
assign (resid   16 and  name HB#  )(resid   33 and  name HD2# ) 4.0 2.2 2.0
assign (resid   16 and  name HB#  )(resid   36 and  name HN   ) 5.0 3.2 1.0
assign (resid   16 and  name HB#  )(resid   36 and  name HD2# ) 3.5 1.7 2.0
assign (resid   17 and  name HN   )(resid   17 and  name HG2# ) 3.3 1.5 1.0
assign (resid   17 and  name HN   )(resid   33 and  name HD2# ) 5.0 3.2 1.0
assign (resid   17 and  name HA   )(resid   19 and  name HN   ) 4.0 2.2 0.0
assign (resid   17 and  name HB   )(resid   33 and  name HD2# ) 4.0 2.2 1.0
assign (resid   17 and  name HG2# )(resid   18 and  name HN   ) 4.0 2.2 1.0
assign (resid   17 and  name HG2# )(resid   19 and  name HN   ) 5.5 3.7 1.0
assign (resid   17 and  name HG2# )(resid   19 and  name HB#  ) 4.0 2.2 2.0
assign (resid   18 and  name HN   )(resid   18 and  name HB#  ) 5.0 3.2 1.0
assign (resid   18 and  name HN   )(resid   18 and  name HG#  ) 3.5 1.7 1.0
assign (resid   18 and  name HN   )(resid   19 and  name HN   ) 3.5 1.7 0.0
assign (resid   18 and  name HA   )(resid   19 and  name HN   ) 3.5 1.7 0.0
assign (resid   18 and  name HA   )(resid   33 and  name HD2# ) 5.0 3.2 1.0
assign (resid   19 and  name HN   )(resid   19 and  name HB#  ) 2.8 1.0 1.0
assign (resid   19 and  name HN   )(resid   19 and  name HG#  ) 5.0 3.2 1.0
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   19 and  name HA   )(resid   20 and  name HN   ) 2.5 0.7 0.0
assign (resid   19 and  name HB#  )(resid   20 and  name HN   ) 3.5 1.7 1.0
assign (resid   19 and  name HG#  )(resid   20 and  name HN   ) 5.0 3.2 1.0
assign (resid   19 and  name HG#  )(resid   21 and  name HN   ) 5.0 3.2 1.0
assign (resid   20 and  name HN   )(resid   20 and  name HB1  ) 3.5 1.7 0.0
assign (resid   20 and  name HN   )(resid   20 and  name HB2  ) 3.5 1.7 0.0
assign (resid   20 and  name HN   )(resid   21 and  name HB#  ) 5.0 3.2 1.0
assign (resid   20 and  name HA   )(resid   20 and  name HD#  ) 2.8 1.0 2.4
assign (resid   20 and  name HA   )(resid   21 and  name HN   ) 2.8 1.0 0.0
assign (resid   20 and  name HB1  )(resid   20 and  name HD#  ) 2.8 1.0 2.4
assign (resid   20 and  name HB2  )(resid   20 and  name HD#  ) 2.8 1.0 2.4
assign (resid   20 and  name HB1  )(resid   20 and  name HE#  ) 4.0 2.2 2.4
assign (resid   20 and  name HB2  )(resid   20 and  name HE#  ) 4.0 2.2 2.4
assign (resid   20 and  name HB1  )(resid   21 and  name HN   ) 4.0 2.2 0.0
assign (resid   20 and  name HB2  )(resid   21 and  name HN   ) 4.5 2.7 0.0
assign (resid   20 and  name HD#  )(resid   21 and  name HN   ) 5.0 3.2 2.4
assign (resid   20 and  name HD#  )(resid   21 and  name HB#  ) 5.0 3.2 3.4
assign (resid   20 and  name HD#  )(resid   22 and  name HB#  ) 5.0 3.2 3.4
assign (resid   20 and  name HD#  )(resid   22 and  name HG#  ) 5.0 3.2 3.4
assign (resid   20 and  name HD#  )(resid   32 and  name HA#  ) 3.5 1.7 3.4
assign (resid   20 and  name HE#  )(resid   21 and  name HN   ) 5.0 2.2 2.4
assign (resid   20 and  name HE#  )(resid   22 and  name HB#  ) 5.0 3.2 3.4
assign (resid   20 and  name HE#  )(resid   22 and  name HG#  ) 5.0 3.2 3.4   
assign (resid   20 and  name HE#  )(resid   32 and  name HA#  ) 3.5 1.7 3.4
assign (resid   20 and  name HE#  )(resid   55 and  name HB#  ) 5.0 3.2 3.4
assign (resid   21 and  name HN   )(resid   21 and  name HB#  ) 3.5 1.7 1.0
assign (resid   21 and  name HN   )(resid   21 and  name HG#  ) 5.0 3.2 1.0
assign (resid   21 and  name HN   )(resid   33 and  name HN   ) 5.0 3.2 0.0
assign (resid   21 and  name HN   )(resid   33 and  name HB1  ) 2.8 1.0 0.0
assign (resid   21 and  name HN   )(resid   33 and  name HB2  ) 4.0 2.2 0.0
assign (resid   21 and  name HN   )(resid   33 and  name HD2# ) 5.5 3.7 1.0
assign (resid   22 and  name HB#  )(resid   54 and  name HN   ) 5.0 3.2 1.0
assign (resid   22 and  name HB#  )(resid   54 and  name HA#  ) 3.5 1.7 2.0
assign (resid   23 and  name HN   )(resid   23 and  name HB#  ) 2.8 1.0 1.0
assign (resid   23 and  name HN   )(resid   23 and  name HG   ) 3.5 1.7 0.0
assign (resid   23 and  name HN   )(resid   23 and  name HD1* ) 4.0 2.2 2.4
assign (resid   23 and  name HN   )(resid   23 and  name HD2* ) 4.0 2.2 2.4
assign (resid   23 and  name HN   )(resid   31 and  name HB1  ) 5.0 3.2 0.0
assign (resid   23 and  name HN   )(resid   31 and  name HB2  ) 5.0 3.2 0.0
assign (resid   23 and  name HA   )(resid   24 and  name HN   ) 2.5 0.7 0.0
assign (resid   23 and  name HA   )(resid   50 and  name HD1* ) 5.0 3.2 2.4
assign (resid   23 and  name HA   )(resid   54 and  name HN   ) 3.5 1.7 0.0
assign (resid   23 and  name HB#  )(resid   24 and  name HN   ) 3.5 1.7 1.0
assign (resid   23 and  name HB#  )(resid   31 and  name HN   ) 5.0 3.2 1.0
assign (resid   23 and  name HB#  )(resid   32 and  name HN   ) 5.0 3.2 1.0
assign (resid   23 and  name HB#  )(resid   37 and  name HB2  ) 5.0 3.2 1.0
assign (resid   23 and  name HB#  )(resid   37 and  name HD#  ) 3.5 1.7 3.4
assign (resid   23 and  name HB#  )(resid   37 and  name HE#  ) 3.5 1.7 3.4
assign (resid   23 and  name HB#  )(resid   54 and  name HN   ) 5.0 3.2 1.0
assign (resid   23 and  name HG   )(resid   37 and  name HB#  ) 5.0 3.2 1.0
assign (resid   23 and  name HD2* )(resid   24 and  name HN   ) 5.5 3.7 2.4
assign (resid   23 and  name HD1* )(resid   33 and  name HN   ) 5.5 3.7 2.4
assign (resid   23 and  name HD1* )(resid   34 and  name HN   ) 5.0 3.2 2.4
assign (resid   23 and  name HD1* )(resid   34 and  name HA   ) 3.5 1.7 2.4
assign (resid   23 and  name HD2* )(resid   34 and  name HA   ) 5.0 3.2 2.4
assign (resid   23 and  name HD1* )(resid   37 and  name HB1  ) 4.0 2.2 2.4
assign (resid   23 and  name HD1* )(resid   37 and  name HB2  ) 4.0 2.2 2.4
assign (resid   23 and  name HD1* )(resid   37 and  name HD#  ) 3.0 1.2 3.4
assign (resid   23 and  name HD1* )(resid   38 and  name HN   ) 5.5 3.7 2.4
assign (resid   23 and  name HD1* )(resid   50 and  name HD1* ) 3.5 1.7 4.8
assign (resid   23 and  name HD1* )(resid   50 and  name HD2* ) 3.5 1.7 4.8
assign (resid   23 and  name HD2* )(resid   50 and  name HD1* ) 3.5 1.7 4.8
assign (resid   23 and  name HD2* )(resid   50 and  name HD2* ) 3.5 1.7 4.8
assign (resid   23 and  name HD1* )(resid   53 and  name HD2  ) 5.0 3.2 2.4
assign (resid   23 and  name HD2* )(resid   53 and  name HD2  ) 3.0 1.2 2.4
assign (resid   23 and  name HD1* )(resid   53 and  name HE2  ) 5.0 3.2 2.4
assign (resid   23 and  name HD2* )(resid   53 and  name HE2  ) 5.0 3.2 2.4
assign (resid   23 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 HA   )(resid   31 and  name HB2  ) 5.0 3.2 0.0
assign (resid   24 and  name HA   )(resid   31 and  name HE1  ) 5.0 3.2 2.4
assign (resid   24 and  name HA   )(resid   55 and  name HA   ) 4.0 2.2 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   27 and  name HB1  ) 5.0 3.2 1.0
assign (resid   26 and  name HN   )(resid   28 and  name HN   ) 5.0 3.2 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 HA   ) 5.0 3.2 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   26 and  name HB#  )(resid   49 and  name HN   ) 4.0 2.2 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
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assign (resid   54 and  name HA#  )(resid   55 and  name HN   ) 2.5 0.7 1.0
assign (resid   55 and  name HN   )(resid   55 and  name HB#  ) 3.5 1.7 1.0
assign (resid   55 and  name HN   )(resid   55 and  name HG#  ) 3.5 1.7 1.0
assign (resid   55 and  name HA   )(resid   56 and  name HN   ) 2.8 1.0 0.0
assign (resid   55 and  name HB#  )(resid   56 and  name HN   ) 3.5 1.7 1.0
assign (resid   55 and  name HG#  )(resid   56 and  name HN   ) 5.0 3.2 1.0
assign (resid   55 and  name HG#  )(resid   56 and  name HB#  ) 5.0 3.2 2.0
assign (resid   56 and  name HN   )(resid   56 and  name HB#  ) 3.5 1.7 1.0
assign (resid   52 and  name HN   )(resid   53 and  name HN   ) 3.5 1.7 0.0
assign (resid   37 and  name HD#  )(resid   50 and  name HA   ) 3.5 1.7 2.4
assign (resid   37 and  name HE#  )(resid   50 and  name HA   ) 3.5 1.7 2.4
assign (resid   11 and  name HE1  )(resid   39 and  name HB2  ) 5.0 3.2 1.0
assign (resid   16 and  name HB#  )(resid   36 and  name HD2# ) 3.5 1.7 2.0
assign (resid   20 and  name HE#  )(resid   32 and  name HA#  ) 3.5 1.7 3.4
assign (resid   27 and  name HN   )(resid   48 and  name HG   ) 5.0 3.2 0.0 
assign (resid   24 and  name HB#  )(resid   51 and  name HN   ) 3.5 1.7 1.0
assign (resid   44 and  name HB#  )(resid   45 and  name HN   ) 5.0 3.2 1.0
assign (resid   22 and  name HA   )(resid   23 and  name HG   ) 5.0 3.2 0.0
assign (resid   23 and  name HN   )(resid   31 and  name HN   ) 3.5 1.7 0.0
assign (resid   22 and  name HG#  )(resid   55 and  name HN   ) 4.5 2.7 1.0
assign (resid    6 and  name HB   )(resid    8 and  name HN   ) 5.5 3.7 0.0
assign (resid   38 and  name HN   )(resid   41 and  name HN   ) 5.0 3.2 0.0
assign (resid   20 and  name HA   )(resid   33 and  name HD2# ) 5.0 3.2 1.0
assign (resid   12 and  name HA   )(resid   13 and  name HG#  ) 5.0 3.2 1.0
assign (resid   15 and  name HN   )(resid   16 and  name HN   ) 5.0 3.2 0.0
assign (resid    4 and  name HG*  )(resid    5 and  name HB#  ) 5.0 3.2 3.4
assign (resid    5 and  name HA   )(resid   50 and  name HD2* ) 5.0 3.2 2.4
assign (resid    7 and  name HA   )(resid    8 and  name HN   ) 2.8 1.0 0.0
assign (resid    8 and  name HA   )(resid    11 and  name HD#  ) 4.3 2.5 2.4
assign (resid    8 and  name HB#  )(resid   41 and  name HG1* ) 4.0 2.2 3.4
assign (resid    8 and  name HB1  )(resid   42 and  name HG2* ) 5.0 3.2 2.4
assign (resid    9 and  name HN   )(resid    10 and  name HG#  ) 5.0 3.2 1.0
assign (resid    9 and  name HB#  )(resid    10 and  name HN   ) 3.5 1.7 1.0
assign (resid    11 and  name HA   )(resid   13 and  name HG#  ) 5.0 3.2 3.0
assign (resid   12 and  name HG#  )(resid   42 and  name HG1* ) 3.5 1.7 3.4
assign (resid   12 and  name HG#  )(resid   42 and  name HG2* ) 4.3 2.5 3.4
assign (resid   12 and  name HD#  )(resid   42 and  name HB   ) 5.0 3.2 1.0
assign (resid   19 and  name HG#  )(resid   21 and  name HG#  ) 3.5 1.7 2.0
assign (resid   19 and  name HG#  )(resid   33 and  name HB1  ) 3.5 1.7 1.0
assign (resid   19 and  name HG#  )(resid   33 and  name HB2  ) 3.5 1.7 1.0
assign (resid   21 and  name HN   )(resid   33 and  name HA   ) 5.0 3.2 0.0
assign (resid   21 and  name HB#  )(resid   33 and  name HA   ) 5.0 3.2 1.0
assign (resid   22 and  name HA   )(resid   32 and  name HA#  ) 5.0 3.2 1.0
assign (resid   22 and  name HA   )(resid   23 and  name HN   ) 2.8 1.0 0.0
assign (resid   22 and  name HB#  )(resid   32 and  name HA#  ) 5.0 3.2 2.0
assign (resid   22 and  name HB#  )(resid   55 and  name HA   ) 4.3 2.5 1.0
assign (resid   23 and  name HB#  )(resid   24 and  name HB#  ) 5.0 3.2 2.0
assign (resid   23 and  name HB1  )(resid   50 and  name HA   ) 5.0 3.2 0.0
assign (resid   23 and  name HG   )(resid   53 and  name HA   ) 5.0 3.2 0.0
assign (resid   23 and  name HD1* )(resid   34 and  name HB#  ) 5.0 3.2 3.4
assign (resid   23 and  name HD2* )(resid   34 and  name HB2  ) 5.0 3.2 2.4
assign (resid   24 and  name HA   )(resid   30 and  name HA   ) 5.0 3.2 0.0
assign (resid   24 and  name HB#  )(resid   51 and  name HN   ) 5.0 3.2 1.0
assign (resid   25 and  name HN   )(resid   30 and  name HA   ) 5.0 3.2 0.0
assign (resid   25 and  name HN   )(resid   31 and  name HB#  ) 5.0 3.2 1.0
assign (resid   26 and  name HN   )(resid   49 and  name HA   ) 5.0 3.2 0.0
assign (resid   26 and  name HN   )(resid   51 and  name HA   ) 5.0 3.2 0.0
assign (resid   26 and  name HB#  )(resid   48 and  name HG   ) 5.0 3.2 1.0
assign (resid   30 and  name HA   )(resid   31 and  name HN   ) 2.5 0.7 0.0
assign (resid   30 and  name HG2# )(resid   56 and  name HN   ) 5.0 3.2 1.0
assign (resid   33 and  name HN   )(resid   34 and  name HN   ) 4.3 2.5 0.0
assign (resid   33 and  name HA   )(resid   36 and  name HN   ) 5.0 3.2 0.0
assign (resid   35 and  name HA   )(resid   38 and  name HN   ) 5.0 3.2 0.0
assign (resid   35 and  name HA   )(resid   39 and  name HN   ) 5.0 3.2 0.0
assign (resid   36 and  name HA   )(resid   40 and  name HN   ) 5.0 3.2 0.0
assign (resid   38 and  name HA   )(resid   42 and  name HN   ) 5.0 3.2 0.0
assign (resid   38 and  name HA   )(resid   48 and  name HD2* ) 5.0 3.2 2.4
assign (resid   38 and  name HB1  )(resid   39 and  name HA   ) 5.0 3.2 0.0
assign (resid   38 and  name HB2  )(resid   39 and  name HA   ) 5.0 3.2 0.0
assign (resid   39 and  name HA   )(resid   40 and  name HB#  ) 5.5 3.7 1.0
assign (resid   39 and  name HA   )(resid   42 and  name HB   ) 5.0 3.2 0.0
assign (resid   39 and  name HA   )(resid   42 and  name HG2* ) 4.0 2.2 2.4
assign (resid   40 and  name HA   )(resid   48 and  name HD2* ) 5.0 3.2 2.4
assign (resid   40 and  name HB#  )(resid   41 and  name HG2* ) 4.3 2.5 3.4
assign (resid   41 and  name HA   )(resid   48 and  name HG   ) 5.0 3.2 0.0
assign (resid   41 and  name HB   )(resid   42 and  name HG1* ) 5.0 3.2 2.4
assign (resid   41 and  name HB   )(resid   42 and  name HG2* ) 4.3 2.5 2.4
assign (resid   41 and  name HB   )(resid   48 and  name HD2* ) 5.0 3.2 2.4
assign (resid   42 and  name HG1* )(resid   43 and  name HB#  ) 4.3 2.5 3.4
assign (resid   42 and  name HG2* )(resid   43 and  name HB#  ) 5.0 3.2 3.4
assign (resid   44 and  name HB#  )(resid   48 and  name HB#  ) 4.3 2.5 2.0
assign (resid   44 and  name HB1  )(resid   48 and  name HD2* ) 5.0 3.2 2.4
assign (resid   45 and  name HB1  )(resid   47 and  name HG2# ) 4.0 2.2 2.4
assign (resid   45 and  name HB2  )(resid   47 and  name HG2# ) 5.0 3.2 2.4
assign (resid   48 and  name HG   )(resid   49 and  name HA   ) 5.0 3.2 0.0
assign (resid   48 and  name HG   )(resid   50 and  name HA   ) 5.0 3.2 1.0
assign (resid   50 and  name HB#  )(resid   51 and  name HN   ) 3.5 1.7 1.0
assign (resid   50 and  name HB#  )(resid   51 and  name HA   ) 5.0 3.2 1.0
assign (resid   50 and  name HB#  )(resid   52 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

!H-bond

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  23 and name N)(resid  31 and name O)  3.3 0.8 0.2
assign  (resid  23 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  23 and name O)  3.3 0.8 0.2
assign  (resid  31 and name HN)(resid  23 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 restraints

assign  (resid 3 and name c)(resid 4 and name n)
        (resid 4 and name ca)(resid 4 and name c) 1.0 -120.0 30.0 2  !Phi


assign  (resid 7 and name n)(resid 7 and name ca)
        (resid 7 and name cb)(resid 7 and name cg) 1.0 180.0 60.0 2    !Chi 1


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 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 c)(resid 17 and name n)
        (resid 17 and name ca)(resid 17 and name c) 1.0 -120.0 50.0 2 !Phi
assign (resid 17 and name n)(resid 17 and name ca)
        (resid 17 and name cb)(resid 17 and name og1) 1.0 60.0 60.0  2 !Chi 1


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 50.0 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 40.0 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 40.0 2 !Phi


assign (resid 23 and name n)(resid 23 and name ca)
        (resid 23 and name cb)(resid 23 and name cg) 1.0 -60.0 60.0  2 !Chi 1


assign (resid 23 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 !Chi 1


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 40.0 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 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 cg) 1.0 -60.0 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 -30.0 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 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 47 and name n)(resid 47 and name ca)
        (resid 47 and name cb)(resid 47 and name og1) 1.0 60.0 60.0  2 !Chi 1

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  !Chi 1


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  !Chi 1


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  !Chi 1


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 40.0 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  !Chi 1


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   2.726   1.729 -10.785
    2   2H    ALA   3          2HT       ALA   3   1.898   1.690 -12.267
    3   3H    ALA   3          3HT       ALA   3   1.328   2.668 -10.999
    4    HA   ALA   3           HA       ALA   3   3.803   3.037 -12.591
    5   1HB   ALA   3          1HB       ALA   3   1.548   4.985 -12.094
    6   2HB   ALA   3          2HB       ALA   3   1.488   3.824 -13.419
    7   3HB   ALA   3          3HB       ALA   3   2.773   5.032 -13.362
    8    H    VAL   4           H        VAL   4   2.120   3.644  -9.585
    9    HA   VAL   4           HA       VAL   4   4.591   4.872  -8.511
   10    HB   VAL   4           HB       VAL   4   3.380   6.847  -9.161
   11   1HG1  VAL   4          1HG1      VAL   4   0.950   6.385  -7.596
   12   2HG1  VAL   4          2HG1      VAL   4   1.134   5.230  -8.915
   13   3HG1  VAL   4          3HG1      VAL   4   1.122   6.961  -9.254
   14   1HG2  VAL   4          1HG2      VAL   4   3.862   6.160  -6.434
   15   2HG2  VAL   4          2HG2      VAL   4   2.369   7.098  -6.488
   16   3HG2  VAL   4          3HG2      VAL   4   3.857   7.767  -7.160
   17    H    SER   5           H        SER   5   4.981   3.474  -6.851
   18    HA   SER   5           HA       SER   5   2.776   3.000  -4.913
   19   1HB   SER   5          2HB       SER   5   3.967   0.599  -4.788
   20   2HB   SER   5          1HB       SER   5   2.629   0.923  -5.888
   21    HG   SER   5           HG       SER   5   4.583  -0.051  -6.819
   22    H    VAL   6           H        VAL   6   5.255   4.694  -4.975
   23    HA   VAL   6           HA       VAL   6   7.014   5.246  -3.523
   24    HB   VAL   6           HB       VAL   6   5.323   3.507  -1.703
   25   1HG1  VAL   6          1HG1      VAL   6   7.656   5.336  -1.056
   26   2HG1  VAL   6          2HG1      VAL   6   7.628   3.583  -0.868
   27   3HG1  VAL   6          3HG1      VAL   6   6.594   4.595   0.140
   28   1HG2  VAL   6          1HG2      VAL   6   5.653   6.513  -1.705
   29   2HG2  VAL   6          2HG2      VAL   6   4.388   5.557  -0.935
   30   3HG2  VAL   6          3HG2      VAL   6   4.429   5.712  -2.691
   31    H    ASP   7           H        ASP   7   8.895   4.258  -2.310
   32    HA   ASP   7           HA       ASP   7   9.903   1.985  -3.780
   33   1HB   ASP   7          2HB       ASP   7  11.491   3.615  -3.047
   34   2HB   ASP   7          1HB       ASP   7  10.932   3.508  -1.376
   35    H    CYS   8           H        CYS   8   8.937   0.020  -3.404
   36    HA   CYS   8           HA       CYS   8   8.427  -0.790  -0.577
   37   1HB   CYS   8          2HB       CYS   8   7.552  -2.149  -3.144
   38   2HB   CYS   8          1HB       CYS   8   7.040  -2.569  -1.513
   39    H    SER   9           H        SER   9  11.060  -0.762  -0.994
   40    HA   SER   9           HA       SER   9  11.933  -3.394  -2.036
   41   1HB   SER   9          2HB       SER   9  13.312  -0.859  -1.218
   42   2HB   SER   9          1HB       SER   9  14.225  -2.366  -1.186
   43    HG   SER   9           HG       SER   9  13.918  -2.602  -3.335
   44    H    GLU  10           H        GLU  10  11.433  -1.675   0.944
   45    HA   GLU  10           HA       GLU  10  12.876  -3.517   2.646
   46   1HB   GLU  10          2HB       GLU  10  12.601  -1.486   3.708
   47   2HB   GLU  10          1HB       GLU  10  11.027  -1.198   2.974
   48   1HG   GLU  10          2HG       GLU  10  10.694  -1.567   5.334
   49   2HG   GLU  10          1HG       GLU  10  10.080  -2.978   4.476
   50    H    TYR  11           H        TYR  11  10.051  -3.880   0.870
   51    HA   TYR  11           HA       TYR  11   8.696  -5.572   2.877
   52   1HB   TYR  11          2HB       TYR  11   7.965  -4.685   0.081
   53   2HB   TYR  11          1HB       TYR  11   6.981  -5.812   1.011
   54    HD1  TYR  11           1HD      TYR  11   5.436  -5.007   2.627
   55    HD2  TYR  11           2HD      TYR  11   8.557  -2.441   1.180
   56    HE1  TYR  11           1HE      TYR  11   4.425  -3.095   3.839
   57    HE2  TYR  11           2HE      TYR  11   7.545  -0.523   2.387
   58    HH   TYR  11           HH       TYR  11   4.742  -0.183   3.266
   59    HA   PRO  12           HA       PRO  12   6.934  -7.085   2.265
   60   1HB   PRO  12          2HB       PRO  12   6.702  -9.551   3.450
   61   2HB   PRO  12          1HB       PRO  12   6.226  -9.213   1.777
   62   1HG   PRO  12          2HG       PRO  12   8.637 -10.655   2.791
   63   2HG   PRO  12          1HG       PRO  12   7.776 -10.848   1.254
   64   1HD   PRO  12          2HD       PRO  12  10.199  -9.453   1.600
   65   2HD   PRO  12          1HD       PRO  12   9.124  -9.320   0.191
   66    H    LYS  13           H        LYS  13   6.275  -6.904   4.515
   67    HA   LYS  13           HA       LYS  13   8.603  -6.534   6.321
   68   1HB   LYS  13          2HB       LYS  13   5.754  -5.538   6.321
   69   2HB   LYS  13          1HB       LYS  13   6.795  -5.366   7.734
   70   1HG   LYS  13          2HG       LYS  13   8.502  -4.326   6.065
   71   2HG   LYS  13          1HG       LYS  13   7.103  -4.128   5.006
   72   1HD   LYS  13          2HD       LYS  13   6.057  -3.186   7.304
   73   2HD   LYS  13          1HD       LYS  13   7.750  -2.762   7.564
   74   1HE   LYS  13          2HE       LYS  13   7.449  -1.953   4.993
   75   2HE   LYS  13          1HE       LYS  13   5.809  -1.696   5.591
   76   1HZ   LYS  13          1HZ       LYS  13   7.896  -0.807   7.378
   77   2HZ   LYS  13          2HZ       LYS  13   6.460  -0.030   6.908
   78   3HZ   LYS  13          3HZ       LYS  13   7.832   0.038   5.909
   79    HA   PRO  14           HA       PRO  14   7.430  -9.951   8.835
   80   1HB   PRO  14          2HB       PRO  14   8.542  -9.115  11.210
   81   2HB   PRO  14          1HB       PRO  14   9.496  -9.735   9.851
   82   1HG   PRO  14          2HG       PRO  14   9.195  -6.928  10.805
   83   2HG   PRO  14          1HG       PRO  14  10.527  -7.670   9.905
   84   1HD   PRO  14          2HD       PRO  14   8.497  -6.014   8.817
   85   2HD   PRO  14          1HD       PRO  14   9.655  -6.997   7.897
   86    H    ALA  15           H        ALA  15   6.056  -6.936   9.082
   87    HA   ALA  15           HA       ALA  15   3.657  -7.687  10.287
   88   1HB   ALA  15          1HB       ALA  15   3.991  -7.759  12.515
   89   2HB   ALA  15          2HB       ALA  15   4.706  -6.147  12.486
   90   3HB   ALA  15          3HB       ALA  15   5.721  -7.568  12.233
   91    H    CYS  16           H        CYS  16   2.214  -5.886  10.348
   92    HA   CYS  16           HA       CYS  16   3.374  -3.416   9.178
   93   1HB   CYS  16          2HB       CYS  16   0.596  -4.569   9.321
   94   2HB   CYS  16          1HB       CYS  16   0.836  -2.863   8.951
   95    H    THR  17           H        THR  17   2.787  -1.322  10.052
   96    HA   THR  17           HA       THR  17   2.563  -1.376  12.999
   97    HB   THR  17           HB       THR  17   2.705   1.285  12.172
   98    HG1  THR  17           1HG      THR  17   4.674  -0.008  10.700
   99   1HG2  THR  17          1HG2      THR  17   4.141   0.845  13.888
  100   2HG2  THR  17          2HG2      THR  17   5.309   0.630  12.585
  101   3HG2  THR  17          3HG2      THR  17   4.511  -0.775  13.293
  102    H    MET  18           H        MET  18   1.182   0.674  13.821
  103    HA   MET  18           HA       MET  18  -1.551   0.133  12.900
  104   1HB   MET  18          2HB       MET  18  -0.291   1.271  15.267
  105   2HB   MET  18          1HB       MET  18  -1.646   2.256  14.718
  106   1HG   MET  18          2HG       MET  18  -3.043   0.763  15.660
  107   2HG   MET  18          1HG       MET  18  -2.498  -0.423  14.475
  108   1HE   MET  18          1HE       MET  18  -2.304   1.283  17.560
  109   2HE   MET  18          2HE       MET  18  -0.953   0.660  18.506
  110   3HE   MET  18          3HE       MET  18  -2.523  -0.133  18.599
  111    H    GLU  19           H        GLU  19   0.727   1.878  11.487
  112    HA   GLU  19           HA       GLU  19  -0.023   4.530  11.196
  113   1HB   GLU  19          2HB       GLU  19   1.762   3.129   9.895
  114   2HB   GLU  19          1HB       GLU  19   0.466   2.879   8.724
  115   1HG   GLU  19          2HG       GLU  19   1.218   4.845   7.844
  116   2HG   GLU  19          1HG       GLU  19   0.260   5.567   9.137
  117    H    TYR  20           H        TYR  20  -1.900   5.526  10.642
  118    HA   TYR  20           HA       TYR  20  -4.089   3.866   9.509
  119   1HB   TYR  20          2HB       TYR  20  -4.104   5.643  11.555
  120   2HB   TYR  20          1HB       TYR  20  -4.563   6.690  10.214
  121    HD1  TYR  20           1HD      TYR  20  -5.934   4.556   8.515
  122    HD2  TYR  20           2HD      TYR  20  -6.229   5.538  12.688
  123    HE1  TYR  20           1HE      TYR  20  -8.233   3.627   8.573
  124    HE2  TYR  20           2HE      TYR  20  -8.526   4.608  12.743
  125    HH   TYR  20           HH       TYR  20 -10.391   4.167  10.264
  126    H    ARG  21           H        ARG  21  -2.106   4.470   7.667
  127    HA   ARG  21           HA       ARG  21  -2.911   6.853   6.146
  128   1HB   ARG  21          2HB       ARG  21  -0.702   4.895   6.069
  129   2HB   ARG  21          1HB       ARG  21  -1.228   5.473   4.489
  130   1HG   ARG  21          2HG       ARG  21  -0.740   7.414   6.741
  131   2HG   ARG  21          1HG       ARG  21   0.599   6.832   5.752
  132   1HD   ARG  21          2HD       ARG  21  -0.341   7.737   3.759
  133   2HD   ARG  21          1HD       ARG  21  -1.907   7.999   4.529
  134    HE   ARG  21           HE       ARG  21   0.421   9.503   5.595
  135   1HH1  ARG  21          1HH2      ARG  21  -0.335  10.600   2.939
  136   2HH1  ARG  21          2HH2      ARG  21  -1.558  11.759   3.341
  137   1HH2  ARG  21          1HH1      ARG  21  -2.104  10.473   6.516
  138   2HH2  ARG  21          2HH1      ARG  21  -2.561  11.686   5.367
  139    HA   PRO  22           HA       PRO  22  -5.885   4.220   4.034
  140   1HB   PRO  22          2HB       PRO  22  -7.289   6.308   2.938
  141   2HB   PRO  22          1HB       PRO  22  -7.522   5.746   4.600
  142   1HG   PRO  22          2HG       PRO  22  -6.156   8.208   3.630
  143   2HG   PRO  22          1HG       PRO  22  -6.915   7.890   5.198
  144   1HD   PRO  22          2HD       PRO  22  -4.126   7.843   4.637
  145   2HD   PRO  22          1HD       PRO  22  -4.914   7.279   6.127
  146    H    LEU  23           H        LEU  23  -5.163   3.273   2.144
  147    HA   LEU  23           HA       LEU  23  -4.233   5.097  -0.039
  148   1HB   LEU  23          2HB       LEU  23  -3.362   2.242   0.510
  149   2HB   LEU  23          1HB       LEU  23  -2.810   3.241  -0.836
  150    HG   LEU  23           HG       LEU  23  -2.359   3.727   2.122
  151   1HD1  LEU  23          1HD1      LEU  23  -0.777   2.167   1.212
  152   2HD1  LEU  23          2HD1      LEU  23   0.045   3.724   1.311
  153   3HD1  LEU  23          3HD1      LEU  23  -0.559   3.142  -0.240
  154   1HD2  LEU  23          1HD2      LEU  23  -1.713   5.497  -0.258
  155   2HD2  LEU  23          2HD2      LEU  23  -1.167   5.781   1.395
  156   3HD2  LEU  23          3HD2      LEU  23  -2.886   5.854   1.010
  157    H    CYS  24           H        CYS  24  -5.567   5.086  -1.773
  158    HA   CYS  24           HA       CYS  24  -7.622   2.977  -1.979
  159   1HB   CYS  24          2HB       CYS  24  -8.238   5.361  -2.330
  160   2HB   CYS  24          1HB       CYS  24  -7.133   5.429  -3.702
  161    H    GLY  25           H        GLY  25  -6.493   1.136  -2.717
  162   1HA   GLY  25          2HA       GLY  25  -4.428   1.111  -4.656
  163   2HA   GLY  25          1HA       GLY  25  -5.477  -0.264  -4.307
  164    H    SER  26           H        SER  26  -4.473   0.668  -6.938
  165    HA   SER  26           HA       SER  26  -6.456   2.051  -8.427
  166   1HB   SER  26          2HB       SER  26  -4.037   0.665  -8.955
  167   2HB   SER  26          1HB       SER  26  -5.253   0.006 -10.043
  168    HG   SER  26           HG       SER  26  -5.618   2.017 -10.847
  169    H    ASP  27           H        ASP  27  -6.662  -1.009  -6.949
  170    HA   ASP  27           HA       ASP  27  -8.570  -2.122  -8.894
  171   1HB   ASP  27          2HB       ASP  27  -8.645  -4.042  -7.433
  172   2HB   ASP  27          1HB       ASP  27  -6.961  -3.531  -7.536
  173    H    ASN  28           H        ASN  28  -8.973   0.435  -7.145
  174    HA   ASN  28           HA       ASN  28 -10.846   1.485  -6.208
  175   1HB   ASN  28          2HB       ASN  28 -11.871  -0.339  -8.028
  176   2HB   ASN  28          1HB       ASN  28 -12.711  -0.751  -6.532
  177   1HD2  ASN  28          1HD2      ASN  28 -14.553   0.231  -8.048
  178   2HD2  ASN  28          2HD2      ASN  28 -14.831   1.894  -7.859
  179    H    LYS  29           H        LYS  29  -9.069  -0.073  -4.559
  180    HA   LYS  29           HA       LYS  29 -11.027  -0.984  -2.481
  181   1HB   LYS  29          2HB       LYS  29  -9.131  -2.569  -3.725
  182   2HB   LYS  29          1HB       LYS  29  -8.328  -2.093  -2.228
  183   1HG   LYS  29          2HG       LYS  29 -11.098  -2.753  -1.714
  184   2HG   LYS  29          1HG       LYS  29 -10.291  -4.091  -2.535
  185   1HD   LYS  29          2HD       LYS  29  -8.728  -4.373  -0.825
  186   2HD   LYS  29          1HD       LYS  29  -8.915  -2.716  -0.243
  187   1HE   LYS  29          2HE       LYS  29 -11.078  -3.210   0.696
  188   2HE   LYS  29          1HE       LYS  29 -11.106  -4.798  -0.069
  189   1HZ   LYS  29          1HZ       LYS  29  -9.353  -3.869   2.129
  190   2HZ   LYS  29          2HZ       LYS  29  -9.040  -5.288   1.247
  191   3HZ   LYS  29          3HZ       LYS  29 -10.470  -5.145   2.152
  192    H    THR  30           H        THR  30 -10.251  -0.689  -0.236
  193    HA   THR  30           HA       THR  30  -8.523   1.737  -0.028
  194    HB   THR  30           HB       THR  30 -10.693   0.625   1.764
  195    HG1  THR  30           1HG      THR  30 -11.605   1.908   0.308
  196   1HG2  THR  30          1HG2      THR  30  -8.797   2.930   2.290
  197   2HG2  THR  30          2HG2      THR  30  -8.823   1.400   3.163
  198   3HG2  THR  30          3HG2      THR  30 -10.189   2.506   3.284
  199    H    TYR  31           H        TYR  31  -6.804   1.744   1.489
  200    HA   TYR  31           HA       TYR  31  -6.138  -0.914   2.680
  201   1HB   TYR  31          2HB       TYR  31  -4.536   0.961   1.022
  202   2HB   TYR  31          1HB       TYR  31  -3.709   0.107   2.319
  203    HD1  TYR  31           1HD      TYR  31  -4.390  -0.075  -1.048
  204    HD2  TYR  31           2HD      TYR  31  -4.651  -2.499   2.489
  205    HE1  TYR  31           1HE      TYR  31  -4.354  -2.121  -2.448
  206    HE2  TYR  31           2HE      TYR  31  -4.611  -4.546   1.088
  207    HH   TYR  31           HH       TYR  31  -5.287  -4.642  -2.037
  208    H    GLY  32           H        GLY  32  -4.624  -0.711   4.551
  209   1HA   GLY  32          2HA       GLY  32  -5.548   1.485   6.279
  210   2HA   GLY  32          1HA       GLY  32  -4.622   0.078   6.800
  211    H    ASN  33           H        ASN  33  -2.705   0.606   4.465
  212    HA   ASN  33           HA       ASN  33  -1.487   3.155   4.792
  213   1HB   ASN  33          2HB       ASN  33   0.389   2.562   6.307
  214   2HB   ASN  33          1HB       ASN  33  -1.170   2.498   7.129
  215   1HD2  ASN  33          1HD2      ASN  33   0.508   0.997   8.488
  216   2HD2  ASN  33          2HD2      ASN  33   0.411  -0.655   8.110
  217    H    LYS  34           H        LYS  34   0.932   3.032   4.176
  218    HA   LYS  34           HA       LYS  34   1.170   1.644   1.697
  219   1HB   LYS  34          2HB       LYS  34   3.377   2.530   1.573
  220   2HB   LYS  34          1HB       LYS  34   2.438   3.740   2.445
  221   1HG   LYS  34          2HG       LYS  34   3.237   2.758   4.596
  222   2HG   LYS  34          1HG       LYS  34   4.249   1.644   3.676
  223   1HD   LYS  34          2HD       LYS  34   4.474   4.568   3.082
  224   2HD   LYS  34          1HD       LYS  34   5.220   3.958   4.559
  225   1HE   LYS  34          2HE       LYS  34   6.098   2.075   2.865
  226   2HE   LYS  34          1HE       LYS  34   5.916   3.400   1.715
  227   1HZ   LYS  34          1HZ       LYS  34   7.113   4.620   3.778
  228   2HZ   LYS  34          2HZ       LYS  34   7.938   3.973   2.441
  229   3HZ   LYS  34          3HZ       LYS  34   7.806   3.076   3.878
  230    H    CYS  35           H        CYS  35   1.465   0.479   4.871
  231    HA   CYS  35           HA       CYS  35   3.525  -1.513   4.342
  232   1HB   CYS  35          2HB       CYS  35   2.939  -0.673   6.643
  233   2HB   CYS  35          1HB       CYS  35   1.392  -1.508   6.497
  234    H    ASN  36           H        ASN  36   0.017  -1.305   4.209
  235    HA   ASN  36           HA       ASN  36  -0.295  -4.140   3.505
  236   1HB   ASN  36          2HB       ASN  36  -1.940  -2.157   4.617
  237   2HB   ASN  36          1HB       ASN  36  -2.589  -2.424   3.003
  238   1HD2  ASN  36          1HD2      ASN  36  -1.693  -4.154   6.010
  239   2HD2  ASN  36          2HD2      ASN  36  -2.729  -5.473   5.746
  240    H    PHE  37           H        PHE  37   0.403  -1.200   1.936
  241    HA   PHE  37           HA       PHE  37  -0.805  -1.948  -0.642
  242   1HB   PHE  37          2HB       PHE  37  -0.609   0.438   0.234
  243   2HB   PHE  37          1HB       PHE  37   1.122   0.318  -0.072
  244    HD1  PHE  37           1HD      PHE  37   1.840   1.206  -2.096
  245    HD2  PHE  37           2HD      PHE  37  -2.069  -0.565  -1.859
  246    HE1  PHE  37           1HE      PHE  37   1.448   1.747  -4.485
  247    HE2  PHE  37           2HE      PHE  37  -2.458  -0.026  -4.245
  248    HZ   PHE  37           HZ       PHE  37  -0.701   1.131  -5.560
  249    H    CYS  38           H        CYS  38   2.482  -1.515   0.687
  250    HA   CYS  38           HA       CYS  38   3.808  -2.433  -1.705
  251   1HB   CYS  38          2HB       CYS  38   4.694  -2.135   1.170
  252   2HB   CYS  38          1HB       CYS  38   5.772  -2.732  -0.084
  253    H    ASN  39           H        ASN  39   2.546  -3.986   1.188
  254    HA   ASN  39           HA       ASN  39   3.804  -6.554   0.616
  255   1HB   ASN  39          2HB       ASN  39   2.270  -5.406   2.751
  256   2HB   ASN  39          1HB       ASN  39   1.485  -6.899   2.240
  257   1HD2  ASN  39          1HD2      ASN  39   3.124  -8.815   1.917
  258   2HD2  ASN  39          2HD2      ASN  39   4.360  -8.946   3.073
  259    H    ALA  40           H        ALA  40   0.527  -5.214   0.285
  260    HA   ALA  40           HA       ALA  40  -0.624  -7.519  -0.951
  261   1HB   ALA  40          1HB       ALA  40  -2.421  -6.097  -1.602
  262   2HB   ALA  40          2HB       ALA  40  -1.378  -4.674  -1.655
  263   3HB   ALA  40          3HB       ALA  40  -1.820  -5.387  -0.103
  264    H    VAL  41           H        VAL  41   1.671  -5.209  -1.993
  265    HA   VAL  41           HA       VAL  41   1.248  -5.694  -4.864
  266    HB   VAL  41           HB       VAL  41   3.212  -4.060  -3.250
  267   1HG1  VAL  41          1HG1      VAL  41   4.174  -3.322  -5.428
  268   2HG1  VAL  41          2HG1      VAL  41   3.224  -4.565  -6.242
  269   3HG1  VAL  41          3HG1      VAL  41   4.486  -5.027  -5.100
  270   1HG2  VAL  41          1HG2      VAL  41   1.937  -2.279  -3.884
  271   2HG2  VAL  41          2HG2      VAL  41   0.694  -3.501  -4.154
  272   3HG2  VAL  41          3HG2      VAL  41   1.671  -2.922  -5.505
  273    H    VAL  42           H        VAL  42   3.434  -6.685  -2.262
  274    HA   VAL  42           HA       VAL  42   5.203  -8.137  -4.090
  275    HB   VAL  42           HB       VAL  42   4.966  -8.090  -1.070
  276   1HG1  VAL  42          1HG1      VAL  42   7.330  -9.221  -1.392
  277   2HG1  VAL  42          2HG1      VAL  42   6.644  -9.749  -2.929
  278   3HG1  VAL  42          3HG1      VAL  42   5.871 -10.213  -1.412
  279   1HG2  VAL  42          1HG2      VAL  42   5.860  -6.061  -2.273
  280   2HG2  VAL  42          2HG2      VAL  42   7.141  -7.080  -2.930
  281   3HG2  VAL  42          3HG2      VAL  42   7.028  -6.816  -1.189
  282    H    GLU  43           H        GLU  43   2.201  -8.764  -2.556
  283    HA   GLU  43           HA       GLU  43   2.564 -11.697  -2.645
  284   1HB   GLU  43          2HB       GLU  43   0.483 -11.850  -1.500
  285   2HB   GLU  43          1HB       GLU  43   1.282 -10.445  -0.794
  286   1HG   GLU  43          2HG       GLU  43  -0.011  -8.941  -2.209
  287   2HG   GLU  43          1HG       GLU  43  -0.741 -10.310  -3.049
  288    H    SER  44           H        SER  44   0.705  -9.131  -4.241
  289    HA   SER  44           HA       SER  44  -0.654 -10.966  -6.046
  290   1HB   SER  44          2HB       SER  44  -0.540  -8.050  -5.596
  291   2HB   SER  44          1HB       SER  44  -0.782  -8.518  -7.276
  292    HG   SER  44           HG       SER  44  -2.482  -8.646  -5.166
  293    H    ASN  45           H        ASN  45   2.503  -9.803  -5.848
  294    HA   ASN  45           HA       ASN  45   4.314 -10.099  -7.309
  295   1HB   ASN  45          2HB       ASN  45   2.527 -12.056  -8.070
  296   2HB   ASN  45          1HB       ASN  45   2.765 -11.158  -9.572
  297   1HD2  ASN  45          1HD2      ASN  45   3.896 -13.360 -10.120
  298   2HD2  ASN  45          2HD2      ASN  45   5.546 -13.470  -9.744
  299    H    GLY  46           H        GLY  46   2.117  -7.868  -7.486
  300   1HA   GLY  46          2HA       GLY  46   2.760  -5.775  -8.661
  301   2HA   GLY  46          1HA       GLY  46   3.158  -6.764 -10.063
  302    H    THR  47           H        THR  47   0.339  -7.974  -8.670
  303    HA   THR  47           HA       THR  47  -1.247  -6.836 -10.871
  304    HB   THR  47           HB       THR  47  -2.893  -8.319  -9.072
  305    HG1  THR  47           1HG      THR  47  -0.750  -9.915  -9.829
  306   1HG2  THR  47          1HG2      THR  47  -2.401  -8.111 -11.782
  307   2HG2  THR  47          2HG2      THR  47  -3.494  -9.272 -11.030
  308   3HG2  THR  47          3HG2      THR  47  -1.835  -9.739 -11.406
  309    H    LEU  48           H        LEU  48  -0.318  -5.391  -8.216
  310    HA   LEU  48           HA       LEU  48  -3.001  -4.157  -7.705
  311   1HB   LEU  48          2HB       LEU  48  -2.188  -5.484  -5.753
  312   2HB   LEU  48          1HB       LEU  48  -0.739  -4.478  -5.706
  313    HG   LEU  48           HG       LEU  48  -2.200  -2.467  -5.446
  314   1HD1  LEU  48          1HD1      LEU  48  -4.579  -3.588  -4.503
  315   2HD1  LEU  48          2HD1      LEU  48  -4.230  -4.491  -5.977
  316   3HD1  LEU  48          3HD1      LEU  48  -4.364  -2.732  -6.031
  317   1HD2  LEU  48          1HD2      LEU  48  -3.110  -4.198  -3.228
  318   2HD2  LEU  48          2HD2      LEU  48  -2.156  -2.717  -3.180
  319   3HD2  LEU  48          3HD2      LEU  48  -1.376  -4.255  -3.544
  320    H    THR  49           H        THR  49  -3.071  -2.002  -8.031
  321    HA   THR  49           HA       THR  49  -0.469  -0.564  -8.348
  322    HB   THR  49           HB       THR  49  -2.167   0.912  -9.819
  323    HG1  THR  49           1HG      THR  49  -3.433  -0.602 -11.005
  324   1HG2  THR  49          1HG2      THR  49  -0.492  -1.480 -10.550
  325   2HG2  THR  49          2HG2      THR  49  -0.098   0.230 -10.727
  326   3HG2  THR  49          3HG2      THR  49  -1.299  -0.511 -11.782
  327    H    LEU  50           H        LEU  50  -1.490   2.004  -8.521
  328    HA   LEU  50           HA       LEU  50  -2.844   2.383  -5.879
  329   1HB   LEU  50          2HB       LEU  50  -0.478   3.035  -5.745
  330   2HB   LEU  50          1HB       LEU  50  -0.660   4.062  -7.167
  331    HG   LEU  50           HG       LEU  50  -2.701   4.930  -5.505
  332   1HD1  LEU  50          1HD1      LEU  50  -0.231   4.258  -3.879
  333   2HD1  LEU  50          2HD1      LEU  50  -1.871   3.673  -3.604
  334   3HD1  LEU  50          3HD1      LEU  50  -1.485   5.374  -3.340
  335   1HD2  LEU  50          1HD2      LEU  50  -1.224   6.909  -5.187
  336   2HD2  LEU  50          2HD2      LEU  50  -1.219   6.343  -6.858
  337   3HD2  LEU  50          3HD2      LEU  50   0.138   5.967  -5.796
  338    H    SER  51           H        SER  51  -4.391   4.076  -5.846
  339    HA   SER  51           HA       SER  51  -5.131   5.144  -8.539
  340   1HB   SER  51          2HB       SER  51  -7.141   4.178  -8.132
  341   2HB   SER  51          1HB       SER  51  -6.702   3.815  -6.469
  342    HG   SER  51           HG       SER  51  -7.247   5.965  -5.939
  343    H    HIS  52           H        HIS  52  -4.817   5.816  -5.093
  344    HA   HIS  52           HA       HIS  52  -3.915   8.457  -5.465
  345   1HB   HIS  52          2HB       HIS  52  -5.746   9.837  -5.412
  346   2HB   HIS  52          1HB       HIS  52  -6.532   8.445  -6.142
  347    HD1  HIS  52           1HD      HIS  52  -8.051   6.974  -4.574
  348    HD2  HIS  52           2HD      HIS  52  -6.574  10.438  -2.786
  349    HE1  HIS  52           1HE      HIS  52  -9.400   7.320  -2.458
  350    H    PHE  53           H        PHE  53  -2.596   8.321  -3.753
  351    HA   PHE  53           HA       PHE  53  -2.787   6.808  -1.458
  352   1HB   PHE  53          2HB       PHE  53  -1.440   9.345  -2.160
  353   2HB   PHE  53          1HB       PHE  53  -1.647   9.067  -0.433
  354    HD1  PHE  53           1HD      PHE  53  -0.437   7.416  -3.568
  355    HD2  PHE  53           2HD      PHE  53  -0.214   7.593   0.721
  356    HE1  PHE  53           1HE      PHE  53   1.446   5.803  -3.598
  357    HE2  PHE  53           2HE      PHE  53   1.669   5.979   0.686
  358    HZ   PHE  53           HZ       PHE  53   2.498   5.086  -1.472
  359    H    GLY  54           H        GLY  54  -4.926   6.678  -0.674
  360   1HA   GLY  54          2HA       GLY  54  -5.725   8.287   1.448
  361   2HA   GLY  54          1HA       GLY  54  -6.481   9.016   0.030
  362    H    LYS  55           H        LYS  55  -8.296   8.095   1.727
  363    HA   LYS  55           HA       LYS  55  -8.906   5.266   1.113
  364   1HB   LYS  55          2HB       LYS  55  -9.314   5.924   3.393
  365   2HB   LYS  55          1HB       LYS  55 -10.250   7.331   2.882
  366   1HG   LYS  55          2HG       LYS  55 -11.893   5.764   1.803
  367   2HG   LYS  55          1HG       LYS  55 -11.002   4.419   2.515
  368   1HD   LYS  55          2HD       LYS  55 -11.325   5.634   4.768
  369   2HD   LYS  55          1HD       LYS  55 -12.544   6.595   3.929
  370   1HE   LYS  55          2HE       LYS  55 -13.971   4.791   3.650
  371   2HE   LYS  55          1HE       LYS  55 -12.656   3.614   3.666
  372   1HZ   LYS  55          1HZ       LYS  55 -13.628   3.318   5.717
  373   2HZ   LYS  55          2HZ       LYS  55 -13.959   4.970   5.932
  374   3HZ   LYS  55          3HZ       LYS  55 -12.370   4.392   6.088
  375    H    CYS  56           H        CYS  56 -10.490   4.624  -0.296
  376    HA   CYS  56           HA       CYS  56 -11.707   6.728  -1.983
  377   1HB   CYS  56          2HB       CYS  56 -11.116   3.833  -2.259
  378   2HB   CYS  56          1HB       CYS  56 -12.580   4.397  -3.064
  Start of MODEL    2
    1   1H    ALA   3          1HT       ALA   3   7.236   6.839 -12.887
    2   2H    ALA   3          2HT       ALA   3   8.655   6.177 -12.226
    3   3H    ALA   3          3HT       ALA   3   8.053   7.656 -11.645
    4    HA   ALA   3           HA       ALA   3   6.890   4.955 -11.291
    5   1HB   ALA   3          1HB       ALA   3   8.730   6.234  -9.784
    6   2HB   ALA   3          2HB       ALA   3   7.507   5.168  -9.092
    7   3HB   ALA   3          3HB       ALA   3   7.260   6.915  -9.087
    8    H    VAL   4           H        VAL   4   4.899   5.105  -9.828
    9    HA   VAL   4           HA       VAL   4   3.066   7.115 -10.979
   10    HB   VAL   4           HB       VAL   4   2.402   4.709 -10.814
   11   1HG1  VAL   4          1HG1      VAL   4   3.587   4.791  -8.358
   12   2HG1  VAL   4          2HG1      VAL   4   2.430   3.554  -8.851
   13   3HG1  VAL   4          3HG1      VAL   4   1.888   4.944  -7.911
   14   1HG2  VAL   4          1HG2      VAL   4   0.671   6.456 -10.865
   15   2HG2  VAL   4          2HG2      VAL   4   0.788   6.639  -9.115
   16   3HG2  VAL   4          3HG2      VAL   4   0.172   5.138  -9.805
   17    H    SER   5           H        SER   5   4.999   6.734  -8.220
   18    HA   SER   5           HA       SER   5   4.562   9.174  -7.036
   19   1HB   SER   5          2HB       SER   5   2.251   8.885  -6.670
   20   2HB   SER   5          1HB       SER   5   2.442   7.190  -6.230
   21    HG   SER   5           HG       SER   5   3.603   9.297  -4.740
   22    H    VAL   6           H        VAL   6   4.334   5.818  -5.816
   23    HA   VAL   6           HA       VAL   6   6.888   6.305  -4.342
   24    HB   VAL   6           HB       VAL   6   5.921   4.780  -2.546
   25   1HG1  VAL   6          1HG1      VAL   6   4.561   7.440  -3.075
   26   2HG1  VAL   6          2HG1      VAL   6   6.082   7.204  -2.214
   27   3HG1  VAL   6          3HG1      VAL   6   4.574   6.603  -1.522
   28   1HG2  VAL   6          1HG2      VAL   6   3.927   4.399  -4.423
   29   2HG2  VAL   6          2HG2      VAL   6   3.178   5.526  -3.291
   30   3HG2  VAL   6          3HG2      VAL   6   3.804   3.981  -2.714
   31    H    ASP   7           H        ASP   7   7.944   4.149  -3.750
   32    HA   ASP   7           HA       ASP   7   7.317   2.098  -5.839
   33   1HB   ASP   7          2HB       ASP   7   9.474   3.521  -6.117
   34   2HB   ASP   7          1HB       ASP   7  10.098   2.566  -4.774
   35    H    CYS   8           H        CYS   8   7.085   0.039  -5.082
   36    HA   CYS   8           HA       CYS   8   7.509  -0.388  -2.170
   37   1HB   CYS   8          2HB       CYS   8   5.904  -1.903  -4.245
   38   2HB   CYS   8          1HB       CYS   8   6.103  -2.446  -2.578
   39    H    SER   9           H        SER   9   9.898  -0.354  -3.388
   40    HA   SER   9           HA       SER   9  10.623  -3.079  -4.255
   41   1HB   SER   9          2HB       SER   9  11.838  -1.510  -5.486
   42   2HB   SER   9          1HB       SER   9  12.026  -0.427  -4.110
   43    HG   SER   9           HG       SER   9  13.231  -2.986  -4.378
   44    H    GLU  10           H        GLU  10  10.629  -1.141  -1.381
   45    HA   GLU  10           HA       GLU  10  12.605  -2.865  -0.020
   46   1HB   GLU  10          2HB       GLU  10  11.046  -0.400   0.738
   47   2HB   GLU  10          1HB       GLU  10  11.841  -1.368   1.979
   48   1HG   GLU  10          2HG       GLU  10  13.722  -1.053  -0.111
   49   2HG   GLU  10          1HG       GLU  10  13.007   0.537   0.161
   50    H    TYR  11           H        TYR  11  10.396  -4.306  -0.944
   51    HA   TYR  11           HA       TYR  11   9.149  -5.101   1.643
   52   1HB   TYR  11          2HB       TYR  11   7.775  -4.349  -0.920
   53   2HB   TYR  11          1HB       TYR  11   7.047  -5.568   0.124
   54    HD1  TYR  11           1HD      TYR  11   5.922  -4.954   2.129
   55    HD2  TYR  11           2HD      TYR  11   8.363  -2.090   0.060
   56    HE1  TYR  11           1HE      TYR  11   5.087  -3.161   3.629
   57    HE2  TYR  11           2HE      TYR  11   7.536  -0.298   1.553
   58    HH   TYR  11           HH       TYR  11   5.330   0.033   2.986
   59    HA   PRO  12           HA       PRO  12   7.194  -6.508   1.669
   60   1HB   PRO  12          2HB       PRO  12   7.037  -8.828   3.131
   61   2HB   PRO  12          1HB       PRO  12   6.230  -8.596   1.571
   62   1HG   PRO  12          2HG       PRO  12   8.681 -10.180   2.200
   63   2HG   PRO  12          1HG       PRO  12   7.493 -10.418   0.908
   64   1HD   PRO  12          2HD       PRO  12  10.039  -9.242   0.601
   65   2HD   PRO  12          1HD       PRO  12   8.707  -9.151  -0.570
   66    H    LYS  13           H        LYS  13   7.055  -6.302   4.095
   67    HA   LYS  13           HA       LYS  13   9.798  -6.091   5.267
   68   1HB   LYS  13          2HB       LYS  13   7.302  -4.640   6.176
   69   2HB   LYS  13          1HB       LYS  13   8.974  -4.286   6.618
   70   1HG   LYS  13          2HG       LYS  13   8.335  -4.281   3.714
   71   2HG   LYS  13          1HG       LYS  13   7.683  -2.949   4.669
   72   1HD   LYS  13          2HD       LYS  13   9.903  -2.365   3.795
   73   2HD   LYS  13          1HD       LYS  13   9.949  -2.487   5.554
   74   1HE   LYS  13          2HE       LYS  13  11.110  -4.515   5.518
   75   2HE   LYS  13          1HE       LYS  13  10.580  -4.904   3.881
   76   1HZ   LYS  13          1HZ       LYS  13  11.921  -2.638   3.465
   77   2HZ   LYS  13          2HZ       LYS  13  12.622  -4.182   3.350
   78   3HZ   LYS  13          3HZ       LYS  13  12.801  -3.268   4.772
   79    HA   PRO  14           HA       PRO  14   8.620  -8.956   8.376
   80   1HB   PRO  14          2HB       PRO  14  10.284  -8.120  10.396
   81   2HB   PRO  14          1HB       PRO  14  10.847  -9.010   8.971
   82   1HG   PRO  14          2HG       PRO  14  11.173  -6.122   9.627
   83   2HG   PRO  14          1HG       PRO  14  12.171  -7.158   8.595
   84   1HD   PRO  14          2HD       PRO  14  10.237  -5.276   7.708
   85   2HD   PRO  14          1HD       PRO  14  11.037  -6.511   6.713
   86    H    ALA  15           H        ALA  15   7.918  -5.649   8.645
   87    HA   ALA  15           HA       ALA  15   5.875  -6.163  10.670
   88   1HB   ALA  15          1HB       ALA  15   8.350  -4.570  11.302
   89   2HB   ALA  15          2HB       ALA  15   7.533  -5.783  12.287
   90   3HB   ALA  15          3HB       ALA  15   6.819  -4.183  12.085
   91    H    CYS  16           H        CYS  16   4.666  -4.030  11.143
   92    HA   CYS  16           HA       CYS  16   4.826  -2.209   8.775
   93   1HB   CYS  16          2HB       CYS  16   2.325  -3.320  10.090
   94   2HB   CYS  16          1HB       CYS  16   2.337  -2.087   8.831
   95    H    THR  17           H        THR  17   3.711  -0.079   9.238
   96    HA   THR  17           HA       THR  17   4.418   0.793  11.976
   97    HB   THR  17           HB       THR  17   3.322   2.929  10.429
   98    HG1  THR  17           1HG      THR  17   4.214   2.681   8.516
   99   1HG2  THR  17          1HG2      THR  17   6.223   2.244  10.971
  100   2HG2  THR  17          2HG2      THR  17   5.146   2.982  12.158
  101   3HG2  THR  17          3HG2      THR  17   5.548   3.845  10.674
  102    H    MET  18           H        MET  18   2.858   1.976  13.297
  103    HA   MET  18           HA       MET  18   0.102   0.977  12.862
  104   1HB   MET  18          2HB       MET  18  -0.302   1.502  15.164
  105   2HB   MET  18          1HB       MET  18   1.294   0.758  15.098
  106   1HG   MET  18          2HG       MET  18   2.389   2.885  15.268
  107   2HG   MET  18          1HG       MET  18   0.875   3.755  15.015
  108   1HE   MET  18          1HE       MET  18   3.328   2.951  17.853
  109   2HE   MET  18          2HE       MET  18   2.955   1.466  16.982
  110   3HE   MET  18          3HE       MET  18   2.488   1.629  18.674
  111    H    GLU  19           H        GLU  19   1.344   3.258  11.317
  112    HA   GLU  19           HA       GLU  19  -0.190   5.596  12.250
  113   1HB   GLU  19          2HB       GLU  19   0.963   6.830  10.597
  114   2HB   GLU  19          1HB       GLU  19   2.151   5.637  11.118
  115   1HG   GLU  19          2HG       GLU  19   1.146   4.176   9.186
  116   2HG   GLU  19          1HG       GLU  19   0.548   5.719   8.574
  117    H    TYR  20           H        TYR  20  -1.980   6.479  11.081
  118    HA   TYR  20           HA       TYR  20  -3.488   4.467   9.550
  119   1HB   TYR  20          2HB       TYR  20  -4.312   6.325  11.315
  120   2HB   TYR  20          1HB       TYR  20  -4.513   7.241   9.822
  121    HD1  TYR  20           1HD      TYR  20  -6.425   6.925   8.502
  122    HD2  TYR  20           2HD      TYR  20  -5.286   3.902  11.335
  123    HE1  TYR  20           1HE      TYR  20  -8.517   5.680   8.017
  124    HE2  TYR  20           2HE      TYR  20  -7.377   2.659  10.849
  125    HH   TYR  20           HH       TYR  20  -9.960   3.820   9.611
  126    H    ARG  21           H        ARG  21  -3.107   4.297   7.419
  127    HA   ARG  21           HA       ARG  21  -2.906   6.786   5.809
  128   1HB   ARG  21          2HB       ARG  21  -0.601   6.234   6.098
  129   2HB   ARG  21          1HB       ARG  21  -0.909   4.515   5.852
  130   1HG   ARG  21          2HG       ARG  21   0.101   5.694   3.856
  131   2HG   ARG  21          1HG       ARG  21  -1.416   4.861   3.527
  132   1HD   ARG  21          2HD       ARG  21  -1.384   7.131   2.531
  133   2HD   ARG  21          1HD       ARG  21  -2.650   6.970   3.747
  134    HE   ARG  21           HE       ARG  21  -0.546   7.961   5.206
  135   1HH1  ARG  21          1HH2      ARG  21  -2.820   9.047   2.962
  136   2HH1  ARG  21          2HH2      ARG  21  -2.146  10.634   2.796
  137   1HH2  ARG  21          1HH1      ARG  21   0.672   9.924   4.687
  138   2HH2  ARG  21          2HH1      ARG  21  -0.169  11.131   3.775
  139    HA   PRO  22           HA       PRO  22  -5.741   3.897   3.770
  140   1HB   PRO  22          2HB       PRO  22  -7.259   5.891   2.640
  141   2HB   PRO  22          1HB       PRO  22  -7.517   5.272   4.278
  142   1HG   PRO  22          2HG       PRO  22  -6.293   7.851   3.415
  143   2HG   PRO  22          1HG       PRO  22  -7.121   7.454   4.930
  144   1HD   PRO  22          2HD       PRO  22  -4.319   7.640   4.579
  145   2HD   PRO  22          1HD       PRO  22  -5.149   6.918   5.973
  146    H    LEU  23           H        LEU  23  -4.763   3.027   1.975
  147    HA   LEU  23           HA       LEU  23  -3.870   4.905  -0.177
  148   1HB   LEU  23          2HB       LEU  23  -2.816   2.199   0.668
  149   2HB   LEU  23          1HB       LEU  23  -2.338   2.989  -0.831
  150    HG   LEU  23           HG       LEU  23  -1.978   4.078   1.969
  151   1HD1  LEU  23          1HD1      LEU  23  -0.111   2.804   1.847
  152   2HD1  LEU  23          2HD1      LEU  23   0.470   4.002   0.690
  153   3HD1  LEU  23          3HD1      LEU  23  -0.313   2.529   0.117
  154   1HD2  LEU  23          1HD2      LEU  23  -2.184   6.058   0.827
  155   2HD2  LEU  23          2HD2      LEU  23  -1.824   5.313  -0.730
  156   3HD2  LEU  23          3HD2      LEU  23  -0.515   5.705   0.384
  157    H    CYS  24           H        CYS  24  -4.932   4.730  -2.093
  158    HA   CYS  24           HA       CYS  24  -6.754   2.410  -2.486
  159   1HB   CYS  24          2HB       CYS  24  -7.800   4.580  -2.777
  160   2HB   CYS  24          1HB       CYS  24  -6.535   5.086  -3.896
  161    H    GLY  25           H        GLY  25  -4.917   0.973  -3.015
  162   1HA   GLY  25          2HA       GLY  25  -2.936   1.293  -4.903
  163   2HA   GLY  25          1HA       GLY  25  -3.791  -0.235  -4.701
  164    H    SER  26           H        SER  26  -2.778   0.894  -7.195
  165    HA   SER  26           HA       SER  26  -4.655   2.161  -8.836
  166   1HB   SER  26          2HB       SER  26  -2.733   1.809 -10.029
  167   2HB   SER  26          1HB       SER  26  -2.427   0.253  -9.261
  168    HG   SER  26           HG       SER  26  -3.154  -0.507 -11.084
  169    H    ASP  27           H        ASP  27  -4.877  -0.979  -7.413
  170    HA   ASP  27           HA       ASP  27  -6.831  -1.983  -9.362
  171   1HB   ASP  27          2HB       ASP  27  -6.925  -3.953  -7.949
  172   2HB   ASP  27          1HB       ASP  27  -5.237  -3.484  -8.129
  173    H    ASN  28           H        ASN  28  -7.293   0.516  -7.657
  174    HA   ASN  28           HA       ASN  28  -9.092   1.502  -6.524
  175   1HB   ASN  28          2HB       ASN  28 -10.208   0.364  -8.575
  176   2HB   ASN  28          1HB       ASN  28 -10.753  -0.850  -7.417
  177   1HD2  ASN  28          1HD2      ASN  28 -12.253   1.390  -8.944
  178   2HD2  ASN  28          2HD2      ASN  28 -13.112   2.200  -7.725
  179    H    LYS  29           H        LYS  29  -7.401  -0.215  -4.988
  180    HA   LYS  29           HA       LYS  29  -9.404  -1.398  -3.106
  181   1HB   LYS  29          2HB       LYS  29  -7.974  -3.130  -4.099
  182   2HB   LYS  29          1HB       LYS  29  -6.536  -2.249  -3.584
  183   1HG   LYS  29          2HG       LYS  29  -6.711  -3.675  -1.787
  184   2HG   LYS  29          1HG       LYS  29  -7.794  -2.406  -1.213
  185   1HD   LYS  29          2HD       LYS  29  -9.526  -3.862  -2.707
  186   2HD   LYS  29          1HD       LYS  29  -8.428  -5.136  -2.181
  187   1HE   LYS  29          2HE       LYS  29  -8.723  -4.419   0.167
  188   2HE   LYS  29          1HE       LYS  29  -9.840  -3.162  -0.365
  189   1HZ   LYS  29          1HZ       LYS  29 -10.905  -5.263   0.415
  190   2HZ   LYS  29          2HZ       LYS  29 -10.237  -6.043  -0.940
  191   3HZ   LYS  29          3HZ       LYS  29 -11.356  -4.779  -1.147
  192    H    THR  30           H        THR  30  -9.381  -0.636  -1.034
  193    HA   THR  30           HA       THR  30  -7.532   1.568  -0.407
  194    HB   THR  30           HB       THR  30  -9.764   0.318   1.230
  195    HG1  THR  30           1HG      THR  30 -10.978   1.964   0.458
  196   1HG2  THR  30          1HG2      THR  30  -7.878   2.604   1.681
  197   2HG2  THR  30          2HG2      THR  30  -8.472   1.404   2.828
  198   3HG2  THR  30          3HG2      THR  30  -9.524   2.719   2.303
  199    H    TYR  31           H        TYR  31  -5.974   1.485   1.284
  200    HA   TYR  31           HA       TYR  31  -5.488  -1.216   2.451
  201   1HB   TYR  31          2HB       TYR  31  -3.646   0.629   0.990
  202   2HB   TYR  31          1HB       TYR  31  -3.001  -0.403   2.257
  203    HD1  TYR  31           1HD      TYR  31  -3.397  -0.243  -1.143
  204    HD2  TYR  31           2HD      TYR  31  -4.220  -2.910   2.121
  205    HE1  TYR  31           1HE      TYR  31  -3.426  -2.159  -2.717
  206    HE2  TYR  31           2HE      TYR  31  -4.247  -4.826   0.547
  207    HH   TYR  31           HH       TYR  31  -4.530  -4.512  -2.726
  208    H    GLY  32           H        GLY  32  -4.184  -1.127   4.437
  209   1HA   GLY  32          2HA       GLY  32  -5.153   0.952   6.208
  210   2HA   GLY  32          1HA       GLY  32  -4.040  -0.344   6.652
  211    H    ASN  33           H        ASN  33  -2.191   0.392   4.406
  212    HA   ASN  33           HA       ASN  33  -1.328   3.077   4.591
  213   1HB   ASN  33          2HB       ASN  33   0.525   2.915   6.216
  214   2HB   ASN  33          1HB       ASN  33  -1.034   2.662   6.988
  215   1HD2  ASN  33          1HD2      ASN  33   1.026   1.611   8.407
  216   2HD2  ASN  33          2HD2      ASN  33   1.121  -0.074   8.223
  217    H    LYS  34           H        LYS  34   1.414   2.847   4.579
  218    HA   LYS  34           HA       LYS  34   1.897   1.794   1.955
  219   1HB   LYS  34          2HB       LYS  34   3.932   2.591   4.048
  220   2HB   LYS  34          1HB       LYS  34   4.200   2.477   2.309
  221   1HG   LYS  34          2HG       LYS  34   2.140   4.157   2.233
  222   2HG   LYS  34          1HG       LYS  34   2.692   4.540   3.863
  223   1HD   LYS  34          2HD       LYS  34   5.065   4.639   2.692
  224   2HD   LYS  34          1HD       LYS  34   4.097   4.935   1.246
  225   1HE   LYS  34          2HE       LYS  34   2.905   6.601   3.081
  226   2HE   LYS  34          1HE       LYS  34   4.601   6.689   3.553
  227   1HZ   LYS  34          1HZ       LYS  34   5.062   7.033   1.105
  228   2HZ   LYS  34          2HZ       LYS  34   4.326   8.325   1.928
  229   3HZ   LYS  34          3HZ       LYS  34   3.398   7.314   0.925
  230    H    CYS  35           H        CYS  35   2.123   0.308   5.113
  231    HA   CYS  35           HA       CYS  35   4.006  -1.740   4.195
  232   1HB   CYS  35          2HB       CYS  35   3.813  -1.005   6.597
  233   2HB   CYS  35          1HB       CYS  35   2.233  -1.788   6.646
  234    H    ASN  36           H        ASN  36   0.518  -1.421   4.673
  235    HA   ASN  36           HA       ASN  36   0.007  -4.185   3.842
  236   1HB   ASN  36          2HB       ASN  36  -1.399  -2.202   5.257
  237   2HB   ASN  36          1HB       ASN  36  -2.276  -2.398   3.743
  238   1HD2  ASN  36          1HD2      ASN  36  -0.611  -4.618   6.065
  239   2HD2  ASN  36          2HD2      ASN  36  -1.875  -5.751   6.110
  240    H    PHE  37           H        PHE  37   0.530  -1.138   2.387
  241    HA   PHE  37           HA       PHE  37  -0.982  -1.708  -0.067
  242   1HB   PHE  37          2HB       PHE  37  -0.821   0.607   0.636
  243   2HB   PHE  37          1HB       PHE  37   0.934   0.501   0.731
  244    HD1  PHE  37           1HD      PHE  37   1.635   2.075  -0.890
  245    HD2  PHE  37           2HD      PHE  37  -1.277  -0.909  -1.923
  246    HE1  PHE  37           1HE      PHE  37   1.824   2.717  -3.275
  247    HE2  PHE  37           2HE      PHE  37  -1.088  -0.264  -4.311
  248    HZ   PHE  37           HZ       PHE  37   0.464   1.549  -4.983
  249    H    CYS  38           H        CYS  38   2.441  -1.484   0.914
  250    HA   CYS  38           HA       CYS  38   3.388  -2.315  -1.707
  251   1HB   CYS  38          2HB       CYS  38   4.709  -1.972   0.986
  252   2HB   CYS  38          1HB       CYS  38   5.586  -2.612  -0.405
  253    H    ASN  39           H        ASN  39   2.523  -3.920   1.291
  254    HA   ASN  39           HA       ASN  39   3.767  -6.447   0.593
  255   1HB   ASN  39          2HB       ASN  39   1.761  -5.541   2.638
  256   2HB   ASN  39          1HB       ASN  39   1.932  -7.267   2.318
  257   1HD2  ASN  39          1HD2      ASN  39   3.870  -8.321   3.025
  258   2HD2  ASN  39          2HD2      ASN  39   5.060  -7.533   3.943
  259    H    ALA  40           H        ALA  40   0.499  -5.092   0.324
  260    HA   ALA  40           HA       ALA  40  -0.717  -7.384  -0.873
  261   1HB   ALA  40          1HB       ALA  40  -2.511  -6.004  -0.898
  262   2HB   ALA  40          2HB       ALA  40  -1.711  -4.940  -2.053
  263   3HB   ALA  40          3HB       ALA  40  -1.470  -4.701  -0.323
  264    H    VAL  41           H        VAL  41   1.331  -4.812  -2.047
  265    HA   VAL  41           HA       VAL  41   1.059  -5.375  -4.863
  266    HB   VAL  41           HB       VAL  41   3.198  -3.992  -3.228
  267   1HG1  VAL  41          1HG1      VAL  41   4.595  -4.181  -4.982
  268   2HG1  VAL  41          2HG1      VAL  41   3.424  -3.299  -5.963
  269   3HG1  VAL  41          3HG1      VAL  41   3.372  -5.060  -5.900
  270   1HG2  VAL  41          1HG2      VAL  41   2.039  -2.084  -3.665
  271   2HG2  VAL  41          2HG2      VAL  41   0.692  -3.170  -4.005
  272   3HG2  VAL  41          3HG2      VAL  41   1.695  -2.568  -5.325
  273    H    VAL  42           H        VAL  42   3.111  -6.599  -2.261
  274    HA   VAL  42           HA       VAL  42   4.767  -8.176  -4.101
  275    HB   VAL  42           HB       VAL  42   4.491  -8.231  -1.082
  276   1HG1  VAL  42          1HG1      VAL  42   6.141  -9.816  -3.022
  277   2HG1  VAL  42          2HG1      VAL  42   5.357 -10.342  -1.533
  278   3HG1  VAL  42          3HG1      VAL  42   6.837  -9.389  -1.459
  279   1HG2  VAL  42          1HG2      VAL  42   6.842  -7.254  -2.693
  280   2HG2  VAL  42          2HG2      VAL  42   6.408  -6.868  -1.030
  281   3HG2  VAL  42          3HG2      VAL  42   5.478  -6.186  -2.362
  282    H    GLU  43           H        GLU  43   1.704  -8.510  -2.629
  283    HA   GLU  43           HA       GLU  43   1.728 -11.442  -2.555
  284   1HB   GLU  43          2HB       GLU  43  -0.454  -9.372  -2.196
  285   2HB   GLU  43          1HB       GLU  43  -0.757 -11.109  -2.128
  286   1HG   GLU  43          2HG       GLU  43   1.141 -11.179  -0.376
  287   2HG   GLU  43          1HG       GLU  43   0.938  -9.430  -0.280
  288    H    SER  44           H        SER  44   1.021  -8.938  -4.843
  289    HA   SER  44           HA       SER  44  -0.386 -10.867  -6.620
  290   1HB   SER  44          2HB       SER  44  -0.010  -7.865  -6.745
  291   2HB   SER  44          1HB       SER  44  -0.736  -8.798  -8.051
  292    HG   SER  44           HG       SER  44  -2.170  -7.856  -6.364
  293    H    ASN  45           H        ASN  45   2.575 -10.846  -5.991
  294    HA   ASN  45           HA       ASN  45   4.485 -11.405  -7.252
  295   1HB   ASN  45          2HB       ASN  45   2.522 -12.141  -8.915
  296   2HB   ASN  45          1HB       ASN  45   3.141 -10.773  -9.842
  297   1HD2  ASN  45          1HD2      ASN  45   5.912 -11.353  -8.534
  298   2HD2  ASN  45          2HD2      ASN  45   6.520 -12.639  -9.462
  299    H    GLY  46           H        GLY  46   3.095  -8.490  -6.934
  300   1HA   GLY  46          2HA       GLY  46   4.307  -6.414  -6.939
  301   2HA   GLY  46          1HA       GLY  46   5.460  -7.119  -8.074
  302    H    THR  47           H        THR  47   2.016  -7.439  -8.570
  303    HA   THR  47           HA       THR  47   2.285  -5.708 -10.985
  304    HB   THR  47           HB       THR  47   0.163  -6.902 -11.697
  305    HG1  THR  47           1HG      THR  47   0.222  -9.033 -10.336
  306   1HG2  THR  47          1HG2      THR  47   2.790  -8.269 -11.217
  307   2HG2  THR  47          2HG2      THR  47   2.061  -7.755 -12.740
  308   3HG2  THR  47          3HG2      THR  47   1.451  -9.185 -11.906
  309    H    LEU  48           H        LEU  48   1.779  -4.793  -8.166
  310    HA   LEU  48           HA       LEU  48  -0.884  -3.509  -8.642
  311   1HB   LEU  48          2HB       LEU  48  -0.115  -5.099  -6.482
  312   2HB   LEU  48          1HB       LEU  48   0.037  -3.450  -5.875
  313    HG   LEU  48           HG       LEU  48  -2.288  -3.044  -6.910
  314   1HD1  LEU  48          1HD1      LEU  48  -1.891  -5.946  -7.348
  315   2HD1  LEU  48          2HD1      LEU  48  -2.919  -4.807  -8.216
  316   3HD1  LEU  48          3HD1      LEU  48  -3.459  -5.491  -6.684
  317   1HD2  LEU  48          1HD2      LEU  48  -2.634  -5.055  -4.764
  318   2HD2  LEU  48          2HD2      LEU  48  -3.157  -3.373  -4.823
  319   3HD2  LEU  48          3HD2      LEU  48  -1.488  -3.762  -4.404
  320    H    THR  49           H        THR  49  -1.010  -1.272  -8.288
  321    HA   THR  49           HA       THR  49   1.529   0.111  -7.543
  322    HB   THR  49           HB       THR  49   1.270   1.692  -9.332
  323    HG1  THR  49           1HG      THR  49  -0.622   0.989 -10.825
  324   1HG2  THR  49          1HG2      THR  49   0.652  -1.003 -10.552
  325   2HG2  THR  49          2HG2      THR  49   2.225  -0.606  -9.860
  326   3HG2  THR  49          3HG2      THR  49   1.617   0.300 -11.245
  327    H    LEU  50           H        LEU  50   0.219   2.680  -8.097
  328    HA   LEU  50           HA       LEU  50  -1.640   2.738  -5.756
  329   1HB   LEU  50          2HB       LEU  50   0.465   3.922  -5.303
  330   2HB   LEU  50          1HB       LEU  50   0.252   4.886  -6.764
  331    HG   LEU  50           HG       LEU  50  -2.151   5.126  -5.288
  332   1HD1  LEU  50          1HD1      LEU  50  -0.707   4.303  -3.362
  333   2HD1  LEU  50          2HD1      LEU  50  -1.447   5.885  -3.123
  334   3HD1  LEU  50          3HD1      LEU  50   0.255   5.767  -3.569
  335   1HD2  LEU  50          1HD2      LEU  50   0.169   7.059  -5.545
  336   2HD2  LEU  50          2HD2      LEU  50  -1.515   7.483  -5.238
  337   3HD2  LEU  50          3HD2      LEU  50  -1.047   6.792  -6.792
  338    H    SER  51           H        SER  51  -3.502   4.067  -5.946
  339    HA   SER  51           HA       SER  51  -4.065   5.023  -8.724
  340   1HB   SER  51          2HB       SER  51  -5.439   3.051  -7.298
  341   2HB   SER  51          1HB       SER  51  -6.434   4.490  -7.105
  342    HG   SER  51           HG       SER  51  -6.856   3.230  -9.036
  343    H    HIS  52           H        HIS  52  -4.297   5.616  -5.267
  344    HA   HIS  52           HA       HIS  52  -4.179   8.417  -5.523
  345   1HB   HIS  52          2HB       HIS  52  -6.268   8.996  -6.158
  346   2HB   HIS  52          1HB       HIS  52  -6.809   7.326  -6.051
  347    HD1  HIS  52           1HD      HIS  52  -8.708   7.077  -4.470
  348    HD2  HIS  52           2HD      HIS  52  -6.101  10.090  -3.242
  349    HE1  HIS  52           1HE      HIS  52  -9.657   8.012  -2.315
  350    H    PHE  53           H        PHE  53  -2.975   8.518  -3.690
  351    HA   PHE  53           HA       PHE  53  -3.053   6.982  -1.394
  352   1HB   PHE  53          2HB       PHE  53  -2.513   9.943  -1.704
  353   2HB   PHE  53          1HB       PHE  53  -2.219   9.063  -0.210
  354    HD1  PHE  53           1HD      PHE  53  -1.277   9.313  -3.788
  355    HD2  PHE  53           2HD      PHE  53  -0.342   7.593   0.034
  356    HE1  PHE  53           1HE      PHE  53   0.904   8.536  -4.671
  357    HE2  PHE  53           2HE      PHE  53   1.841   6.814  -0.850
  358    HZ   PHE  53           HZ       PHE  53   2.464   7.284  -3.204
  359    H    GLY  54           H        GLY  54  -5.174   6.413  -0.762
  360   1HA   GLY  54          2HA       GLY  54  -6.507   7.533   1.269
  361   2HA   GLY  54          1HA       GLY  54  -7.065   8.575  -0.045
  362    H    LYS  55           H        LYS  55  -8.589   6.577   1.592
  363    HA   LYS  55           HA       LYS  55  -9.138   4.209   0.173
  364   1HB   LYS  55          2HB       LYS  55 -11.186   4.097   1.392
  365   2HB   LYS  55          1HB       LYS  55 -10.051   4.930   2.450
  366   1HG   LYS  55          2HG       LYS  55 -10.991   7.073   1.914
  367   2HG   LYS  55          1HG       LYS  55 -11.961   6.390   0.610
  368   1HD   LYS  55          2HD       LYS  55 -13.376   6.744   2.567
  369   2HD   LYS  55          1HD       LYS  55 -13.191   5.015   2.280
  370   1HE   LYS  55          2HE       LYS  55 -11.048   5.547   3.918
  371   2HE   LYS  55          1HE       LYS  55 -12.273   6.646   4.552
  372   1HZ   LYS  55          1HZ       LYS  55 -13.151   3.943   3.933
  373   2HZ   LYS  55          2HZ       LYS  55 -13.579   4.957   5.227
  374   3HZ   LYS  55          3HZ       LYS  55 -12.110   4.104   5.262
  375    H    CYS  56           H        CYS  56 -10.288   3.755  -1.673
  376    HA   CYS  56           HA       CYS  56 -11.067   6.040  -3.353
  377   1HB   CYS  56          2HB       CYS  56 -10.589   3.136  -3.744
  378   2HB   CYS  56          1HB       CYS  56 -11.786   3.872  -4.809
  Start of MODEL    3
    1   1H    ALA   3          1HT       ALA   3  -1.979   0.817  -1.892
    2   2H    ALA   3          2HT       ALA   3  -2.027   2.229  -0.956
    3   3H    ALA   3          3HT       ALA   3  -0.546   1.645  -1.530
    4    HA   ALA   3           HA       ALA   3  -1.567   1.941  -3.852
    5   1HB   ALA   3          1HB       ALA   3  -3.096   4.151  -2.577
    6   2HB   ALA   3          2HB       ALA   3  -3.790   2.535  -2.451
    7   3HB   ALA   3          3HB       ALA   3  -3.459   3.233  -4.038
    8    H    VAL   4           H        VAL   4   0.835   2.466  -3.305
    9    HA   VAL   4           HA       VAL   4   1.141   5.387  -3.578
   10    HB   VAL   4           HB       VAL   4   2.390   3.821  -1.307
   11   1HG1  VAL   4          1HG1      VAL   4   2.749   6.759  -1.562
   12   2HG1  VAL   4          2HG1      VAL   4   3.679   5.767  -2.682
   13   3HG1  VAL   4          3HG1      VAL   4   3.862   5.542  -0.944
   14   1HG2  VAL   4          1HG2      VAL   4   0.248   4.432  -0.612
   15   2HG2  VAL   4          2HG2      VAL   4   0.243   5.899  -1.589
   16   3HG2  VAL   4          3HG2      VAL   4   1.193   5.832  -0.107
   17    H    SER   5           H        SER   5   2.938   5.920  -4.802
   18    HA   SER   5           HA       SER   5   4.436   3.665  -5.976
   19   1HB   SER   5          2HB       SER   5   5.538   5.920  -7.069
   20   2HB   SER   5          1HB       SER   5   4.132   5.091  -7.728
   21    HG   SER   5           HG       SER   5   2.813   6.505  -6.601
   22    H    VAL   6           H        VAL   6   5.102   3.714  -3.380
   23    HA   VAL   6           HA       VAL   6   7.620   5.289  -3.179
   24    HB   VAL   6           HB       VAL   6   5.525   4.648  -1.322
   25   1HG1  VAL   6          1HG1      VAL   6   6.767   3.795   0.574
   26   2HG1  VAL   6          2HG1      VAL   6   8.269   3.796  -0.349
   27   3HG1  VAL   6          3HG1      VAL   6   6.980   2.667  -0.764
   28   1HG2  VAL   6          1HG2      VAL   6   7.960   6.015  -0.359
   29   2HG2  VAL   6          2HG2      VAL   6   6.285   6.567  -0.368
   30   3HG2  VAL   6          3HG2      VAL   6   7.261   6.688  -1.832
   31    H    ASP   7           H        ASP   7   9.375   3.999  -1.885
   32    HA   ASP   7           HA       ASP   7  10.076   1.713  -3.492
   33   1HB   ASP   7          2HB       ASP   7  11.604   3.400  -2.201
   34   2HB   ASP   7          1HB       ASP   7  11.366   2.301  -0.840
   35    H    CYS   8           H        CYS   8   8.300   0.231  -3.169
   36    HA   CYS   8           HA       CYS   8   7.913  -0.886  -0.456
   37   1HB   CYS   8          2HB       CYS   8   6.566  -1.192  -3.118
   38   2HB   CYS   8          1HB       CYS   8   6.380  -2.475  -1.924
   39    H    SER   9           H        SER   9  10.519  -1.193  -1.835
   40    HA   SER   9           HA       SER   9  10.591  -4.029  -2.636
   41   1HB   SER   9          2HB       SER   9  12.718  -1.885  -2.453
   42   2HB   SER   9          1HB       SER   9  13.060  -3.547  -2.923
   43    HG   SER   9           HG       SER   9  11.246  -3.130  -4.496
   44    H    GLU  10           H        GLU  10  10.726  -2.332   0.269
   45    HA   GLU  10           HA       GLU  10  12.632  -4.195   1.555
   46   1HB   GLU  10          2HB       GLU  10  10.950  -2.082   2.919
   47   2HB   GLU  10          1HB       GLU  10  12.464  -2.796   3.481
   48   1HG   GLU  10          2HG       GLU  10  13.152  -1.787   1.000
   49   2HG   GLU  10          1HG       GLU  10  12.030  -0.574   1.614
   50    H    TYR  11           H        TYR  11  10.194  -5.268   0.422
   51    HA   TYR  11           HA       TYR  11   8.895  -6.286   2.918
   52   1HB   TYR  11          2HB       TYR  11   7.708  -5.351   0.313
   53   2HB   TYR  11          1HB       TYR  11   6.847  -6.536   1.287
   54    HD1  TYR  11           1HD      TYR  11   5.462  -5.784   3.054
   55    HD2  TYR  11           2HD      TYR  11   8.614  -3.256   1.581
   56    HE1  TYR  11           1HE      TYR  11   4.702  -3.944   4.548
   57    HE2  TYR  11           2HE      TYR  11   7.851  -1.430   3.074
   58    HH   TYR  11           HH       TYR  11   5.971  -0.723   4.294
   59    HA   PRO  12           HA       PRO  12   6.840  -7.604   2.618
   60   1HB   PRO  12          2HB       PRO  12   6.271 -10.076   3.645
   61   2HB   PRO  12          1HB       PRO  12   5.743  -9.545   2.038
   62   1HG   PRO  12          2HG       PRO  12   7.898 -11.470   2.759
   63   2HG   PRO  12          1HG       PRO  12   6.950 -11.355   1.268
   64   1HD   PRO  12          2HD       PRO  12   9.612 -10.427   1.645
   65   2HD   PRO  12          1HD       PRO  12   8.564 -10.090   0.251
   66    H    LYS  13           H        LYS  13   6.353  -7.700   4.971
   67    HA   LYS  13           HA       LYS  13   8.800  -8.257   6.604
   68   1HB   LYS  13          2HB       LYS  13   6.785  -6.007   6.850
   69   2HB   LYS  13          1HB       LYS  13   7.971  -6.389   8.097
   70   1HG   LYS  13          2HG       LYS  13   9.767  -6.148   6.337
   71   2HG   LYS  13          1HG       LYS  13   8.526  -5.532   5.247
   72   1HD   LYS  13          2HD       LYS  13   8.619  -3.497   6.199
   73   2HD   LYS  13          1HD       LYS  13   8.363  -4.187   7.800
   74   1HE   LYS  13          2HE       LYS  13  10.549  -4.006   8.324
   75   2HE   LYS  13          1HE       LYS  13  11.041  -4.754   6.805
   76   1HZ   LYS  13          1HZ       LYS  13  11.609  -2.775   6.042
   77   2HZ   LYS  13          2HZ       LYS  13  11.160  -2.059   7.517
   78   3HZ   LYS  13          3HZ       LYS  13  10.027  -2.202   6.261
   79    HA   PRO  14           HA       PRO  14   6.192 -10.838   9.010
   80   1HB   PRO  14          2HB       PRO  14   7.641 -10.822  11.347
   81   2HB   PRO  14          1HB       PRO  14   8.121 -11.727   9.901
   82   1HG   PRO  14          2HG       PRO  14   9.259  -9.198  10.995
   83   2HG   PRO  14          1HG       PRO  14  10.036 -10.437  10.000
   84   1HD   PRO  14          2HD       PRO  14   9.070  -7.942   9.080
   85   2HD   PRO  14          1HD       PRO  14   9.533  -9.320   8.060
   86    H    ALA  15           H        ALA  15   6.267  -7.576   9.424
   87    HA   ALA  15           HA       ALA  15   3.975  -7.577  11.198
   88   1HB   ALA  15          1HB       ALA  15   6.134  -5.968  12.424
   89   2HB   ALA  15          2HB       ALA  15   6.332  -7.715  12.567
   90   3HB   ALA  15          3HB       ALA  15   4.877  -6.937  13.191
   91    H    CYS  16           H        CYS  16   2.762  -5.941  10.389
   92    HA   CYS  16           HA       CYS  16   4.056  -3.818   8.820
   93   1HB   CYS  16          2HB       CYS  16   1.339  -4.909   9.115
   94   2HB   CYS  16          1HB       CYS  16   1.380  -3.155   8.971
   95    H    THR  17           H        THR  17   2.759  -1.554   9.264
   96    HA   THR  17           HA       THR  17   3.418  -0.924  12.093
   97    HB   THR  17           HB       THR  17   2.729   1.444  10.759
   98    HG1  THR  17           1HG      THR  17   3.321   1.218   8.762
   99   1HG2  THR  17          1HG2      THR  17   5.569   0.576  10.727
  100   2HG2  THR  17          2HG2      THR  17   4.759   0.551  12.294
  101   3HG2  THR  17          3HG2      THR  17   4.848   2.051  11.371
  102    H    MET  18           H        MET  18   1.893   0.529  13.269
  103    HA   MET  18           HA       MET  18  -0.885  -0.347  12.816
  104   1HB   MET  18          2HB       MET  18  -1.256   1.049  14.948
  105   2HB   MET  18          1HB       MET  18  -0.240  -0.384  15.107
  106   1HG   MET  18          2HG       MET  18   1.720   0.855  15.282
  107   2HG   MET  18          1HG       MET  18   1.045   2.235  14.415
  108   1HE   MET  18          1HE       MET  18   1.923   3.856  17.623
  109   2HE   MET  18          2HE       MET  18   2.590   3.055  16.202
  110   3HE   MET  18          3HE       MET  18   2.564   2.211  17.748
  111    H    GLU  19           H        GLU  19   0.706   1.741  11.145
  112    HA   GLU  19           HA       GLU  19  -0.379   4.316  11.495
  113   1HB   GLU  19          2HB       GLU  19   0.916   2.829   9.329
  114   2HB   GLU  19          1HB       GLU  19  -0.246   4.019   8.740
  115   1HG   GLU  19          2HG       GLU  19   1.963   4.596  10.737
  116   2HG   GLU  19          1HG       GLU  19   2.024   4.994   9.020
  117    H    TYR  20           H        TYR  20  -1.997   5.296   9.835
  118    HA   TYR  20           HA       TYR  20  -4.244   3.430   9.276
  119   1HB   TYR  20          2HB       TYR  20  -4.640   4.501  11.490
  120   2HB   TYR  20          1HB       TYR  20  -4.538   6.076  10.710
  121    HD1  TYR  20           1HD      TYR  20  -6.842   6.637  11.415
  122    HD2  TYR  20           2HD      TYR  20  -6.026   3.248   8.901
  123    HE1  TYR  20           1HE      TYR  20  -9.243   6.503  10.814
  124    HE2  TYR  20           2HE      TYR  20  -8.426   3.117   8.299
  125    HH   TYR  20           HH       TYR  20 -10.426   5.067   8.290
  126    H    ARG  21           H        ARG  21  -2.343   4.658   7.546
  127    HA   ARG  21           HA       ARG  21  -3.571   6.990   6.297
  128   1HB   ARG  21          2HB       ARG  21  -1.425   5.179   5.165
  129   2HB   ARG  21          1HB       ARG  21  -1.785   6.833   4.675
  130   1HG   ARG  21          2HG       ARG  21  -0.730   7.745   6.490
  131   2HG   ARG  21          1HG       ARG  21  -1.201   6.421   7.558
  132   1HD   ARG  21          2HD       ARG  21   1.090   6.040   7.343
  133   2HD   ARG  21          1HD       ARG  21   0.445   5.013   6.063
  134    HE   ARG  21           HE       ARG  21   1.033   6.844   4.462
  135   1HH1  ARG  21          1HH2      ARG  21   3.418   5.747   6.221
  136   2HH1  ARG  21          2HH2      ARG  21   4.300   7.223   6.436
  137   1HH2  ARG  21          1HH1      ARG  21   1.706   9.247   5.344
  138   2HH2  ARG  21          2HH1      ARG  21   3.333   9.204   5.942
  139    HA   PRO  22           HA       PRO  22  -6.309   4.393   3.889
  140   1HB   PRO  22          2HB       PRO  22  -7.692   6.489   2.774
  141   2HB   PRO  22          1HB       PRO  22  -7.998   5.880   4.409
  142   1HG   PRO  22          2HG       PRO  22  -6.605   8.377   3.569
  143   2HG   PRO  22          1HG       PRO  22  -7.471   8.028   5.074
  144   1HD   PRO  22          2HD       PRO  22  -4.660   8.030   4.739
  145   2HD   PRO  22          1HD       PRO  22  -5.547   7.371   6.129
  146    H    LEU  23           H        LEU  23  -5.412   3.506   2.037
  147    HA   LEU  23           HA       LEU  23  -4.538   5.418  -0.089
  148   1HB   LEU  23          2HB       LEU  23  -3.267   2.739   0.531
  149   2HB   LEU  23          1HB       LEU  23  -2.733   3.909  -0.675
  150    HG   LEU  23           HG       LEU  23  -2.846   4.437   2.305
  151   1HD1  LEU  23          1HD1      LEU  23  -0.214   4.581   1.510
  152   2HD1  LEU  23          2HD1      LEU  23  -0.818   3.226   0.557
  153   3HD1  LEU  23          3HD1      LEU  23  -0.950   3.195   2.313
  154   1HD2  LEU  23          1HD2      LEU  23  -2.345   6.597   1.821
  155   2HD2  LEU  23          2HD2      LEU  23  -2.873   6.228   0.179
  156   3HD2  LEU  23          3HD2      LEU  23  -1.163   6.125   0.600
  157    H    CYS  24           H        CYS  24  -5.584   5.119  -1.988
  158    HA   CYS  24           HA       CYS  24  -7.233   2.672  -2.326
  159   1HB   CYS  24          2HB       CYS  24  -8.220   4.951  -2.727
  160   2HB   CYS  24          1HB       CYS  24  -7.096   5.149  -4.071
  161    H    GLY  25           H        GLY  25  -5.600   1.145  -2.898
  162   1HA   GLY  25          2HA       GLY  25  -3.459   1.494  -4.669
  163   2HA   GLY  25          1HA       GLY  25  -4.297  -0.040  -4.452
  164    H    SER  26           H        SER  26  -3.213   1.181  -6.950
  165    HA   SER  26           HA       SER  26  -5.181   2.282  -8.631
  166   1HB   SER  26          2HB       SER  26  -3.073   2.133  -9.618
  167   2HB   SER  26          1HB       SER  26  -2.846   0.461  -9.112
  168    HG   SER  26           HG       SER  26  -3.896  -0.196 -10.824
  169    H    ASP  27           H        ASP  27  -5.138  -0.870  -7.228
  170    HA   ASP  27           HA       ASP  27  -6.889  -2.054  -9.268
  171   1HB   ASP  27          2HB       ASP  27  -6.827  -4.040  -7.898
  172   2HB   ASP  27          1HB       ASP  27  -5.192  -3.378  -7.951
  173    H    ASN  28           H        ASN  28  -7.670   0.369  -7.550
  174    HA   ASN  28           HA       ASN  28  -9.635   1.166  -6.559
  175   1HB   ASN  28          2HB       ASN  28 -10.399  -0.655  -8.530
  176   2HB   ASN  28          1HB       ASN  28 -11.299  -1.169  -7.103
  177   1HD2  ASN  28          1HD2      ASN  28 -11.072   1.285  -9.563
  178   2HD2  ASN  28          2HD2      ASN  28 -12.332   2.265  -8.988
  179    H    LYS  29           H        LYS  29  -7.805  -0.363  -4.917
  180    HA   LYS  29           HA       LYS  29  -9.769  -1.646  -3.052
  181   1HB   LYS  29          2HB       LYS  29  -7.029  -2.438  -3.898
  182   2HB   LYS  29          1HB       LYS  29  -7.435  -2.682  -2.199
  183   1HG   LYS  29          2HG       LYS  29  -9.653  -3.710  -3.191
  184   2HG   LYS  29          1HG       LYS  29  -8.664  -3.926  -4.635
  185   1HD   LYS  29          2HD       LYS  29  -6.976  -4.812  -2.651
  186   2HD   LYS  29          1HD       LYS  29  -8.551  -5.342  -2.058
  187   1HE   LYS  29          2HE       LYS  29  -7.867  -5.798  -4.942
  188   2HE   LYS  29          1HE       LYS  29  -7.176  -6.869  -3.722
  189   1HZ   LYS  29          1HZ       LYS  29  -9.613  -6.949  -2.877
  190   2HZ   LYS  29          2HZ       LYS  29  -9.143  -7.912  -4.197
  191   3HZ   LYS  29          3HZ       LYS  29  -9.991  -6.464  -4.458
  192    H    THR  30           H        THR  30  -9.462  -1.228  -0.789
  193    HA   THR  30           HA       THR  30  -8.092   1.361  -0.280
  194    HB   THR  30           HB       THR  30 -10.040  -0.198   1.443
  195    HG1  THR  30           1HG      THR  30 -11.558   0.933   0.499
  196   1HG2  THR  30          1HG2      THR  30 -10.028   2.530   2.106
  197   2HG2  THR  30          2HG2      THR  30  -8.330   2.084   1.947
  198   3HG2  THR  30          3HG2      THR  30  -9.370   1.205   3.066
  199    H    TYR  31           H        TYR  31  -6.445   1.539   1.282
  200    HA   TYR  31           HA       TYR  31  -5.545  -1.015   2.532
  201   1HB   TYR  31          2HB       TYR  31  -4.016   1.067   1.000
  202   2HB   TYR  31          1HB       TYR  31  -3.212   0.093   2.225
  203    HD1  TYR  31           1HD      TYR  31  -3.575   0.241  -1.136
  204    HD2  TYR  31           2HD      TYR  31  -4.306  -2.517   2.072
  205    HE1  TYR  31           1HE      TYR  31  -3.447  -1.649  -2.735
  206    HE2  TYR  31           2HE      TYR  31  -4.178  -4.411   0.474
  207    HH   TYR  31           HH       TYR  31  -4.381  -4.860  -1.858
  208    H    GLY  32           H        GLY  32  -4.033  -0.569   4.413
  209   1HA   GLY  32          2HA       GLY  32  -5.200   1.624   6.036
  210   2HA   GLY  32          1HA       GLY  32  -4.291   0.251   6.670
  211    H    ASN  33           H        ASN  33  -2.350   0.835   4.287
  212    HA   ASN  33           HA       ASN  33  -1.145   3.350   4.607
  213   1HB   ASN  33          2HB       ASN  33   0.794   2.601   6.150
  214   2HB   ASN  33          1HB       ASN  33  -0.740   3.026   6.907
  215   1HD2  ASN  33          1HD2      ASN  33  -1.548   1.480   8.334
  216   2HD2  ASN  33          2HD2      ASN  33  -1.127  -0.164   8.329
  217    H    LYS  34           H        LYS  34   1.277   3.241   4.015
  218    HA   LYS  34           HA       LYS  34   1.572   1.824   1.598
  219   1HB   LYS  34          2HB       LYS  34   3.605   2.879   1.412
  220   2HB   LYS  34          1HB       LYS  34   2.909   3.867   2.690
  221   1HG   LYS  34          2HG       LYS  34   4.703   1.462   3.153
  222   2HG   LYS  34          1HG       LYS  34   5.239   3.142   3.203
  223   1HD   LYS  34          2HD       LYS  34   2.892   2.803   4.854
  224   2HD   LYS  34          1HD       LYS  34   4.138   1.648   5.327
  225   1HE   LYS  34          2HE       LYS  34   4.441   4.654   5.094
  226   2HE   LYS  34          1HE       LYS  34   4.499   3.698   6.574
  227   1HZ   LYS  34          1HZ       LYS  34   6.701   3.804   6.168
  228   2HZ   LYS  34          2HZ       LYS  34   6.509   4.038   4.496
  229   3HZ   LYS  34          3HZ       LYS  34   6.373   2.480   5.162
  230    H    CYS  35           H        CYS  35   1.874   0.630   4.803
  231    HA   CYS  35           HA       CYS  35   3.819  -1.443   4.162
  232   1HB   CYS  35          2HB       CYS  35   3.374  -0.558   6.484
  233   2HB   CYS  35          1HB       CYS  35   1.829  -1.400   6.442
  234    H    ASN  36           H        ASN  36   0.280  -1.255   4.485
  235    HA   ASN  36           HA       ASN  36  -0.186  -4.019   3.790
  236   1HB   ASN  36          2HB       ASN  36  -1.740  -1.904   4.689
  237   2HB   ASN  36          1HB       ASN  36  -2.278  -2.106   3.023
  238   1HD2  ASN  36          1HD2      ASN  36  -2.109  -3.681   6.181
  239   2HD2  ASN  36          2HD2      ASN  36  -3.123  -4.983   5.787
  240    H    PHE  37           H        PHE  37   0.753  -1.233   2.060
  241    HA   PHE  37           HA       PHE  37  -0.304  -2.068  -0.539
  242   1HB   PHE  37          2HB       PHE  37   0.003   0.332   0.051
  243   2HB   PHE  37          1HB       PHE  37   1.741   0.057   0.174
  244    HD1  PHE  37           1HD      PHE  37   3.017   0.598  -1.687
  245    HD2  PHE  37           2HD      PHE  37  -1.034  -0.711  -2.237
  246    HE1  PHE  37           1HE      PHE  37   3.248   0.907  -4.136
  247    HE2  PHE  37           2HE      PHE  37  -0.812  -0.386  -4.683
  248    HZ   PHE  37           HZ       PHE  37   1.336   0.417  -5.630
  249    H    CYS  38           H        CYS  38   2.923  -1.863   0.986
  250    HA   CYS  38           HA       CYS  38   4.355  -2.970  -1.230
  251   1HB   CYS  38          2HB       CYS  38   5.085  -3.166   1.704
  252   2HB   CYS  38          1HB       CYS  38   6.187  -3.275   0.335
  253    H    ASN  39           H        ASN  39   2.673  -4.373   1.522
  254    HA   ASN  39           HA       ASN  39   3.609  -7.082   0.986
  255   1HB   ASN  39          2HB       ASN  39   1.587  -5.830   2.806
  256   2HB   ASN  39          1HB       ASN  39   1.430  -7.552   2.458
  257   1HD2  ASN  39          1HD2      ASN  39   3.670  -8.787   2.680
  258   2HD2  ASN  39          2HD2      ASN  39   4.615  -8.352   4.022
  259    H    ALA  40           H        ALA  40   0.651  -5.237   0.324
  260    HA   ALA  40           HA       ALA  40  -0.768  -7.316  -1.018
  261   1HB   ALA  40          1HB       ALA  40  -1.928  -5.263  -0.444
  262   2HB   ALA  40          2HB       ALA  40  -1.929  -5.403  -2.203
  263   3HB   ALA  40          3HB       ALA  40  -0.801  -4.305  -1.407
  264    H    VAL  41           H        VAL  41   1.989  -5.430  -1.832
  265    HA   VAL  41           HA       VAL  41   1.839  -5.893  -4.718
  266    HB   VAL  41           HB       VAL  41   3.896  -4.727  -2.843
  267   1HG1  VAL  41          1HG1      VAL  41   5.562  -5.275  -4.253
  268   2HG1  VAL  41          2HG1      VAL  41   4.760  -4.321  -5.502
  269   3HG1  VAL  41          3HG1      VAL  41   4.429  -6.047  -5.361
  270   1HG2  VAL  41          1HG2      VAL  41   2.522  -2.983  -3.390
  271   2HG2  VAL  41          2HG2      VAL  41   1.941  -3.771  -4.857
  272   3HG2  VAL  41          3HG2      VAL  41   3.500  -2.948  -4.857
  273    H    VAL  42           H        VAL  42   3.406  -7.339  -1.899
  274    HA   VAL  42           HA       VAL  42   5.121  -9.114  -3.380
  275    HB   VAL  42           HB       VAL  42   3.921  -9.567  -0.629
  276   1HG1  VAL  42          1HG1      VAL  42   5.592 -11.152  -2.253
  277   2HG1  VAL  42          2HG1      VAL  42   5.267 -11.372  -0.534
  278   3HG1  VAL  42          3HG1      VAL  42   6.658 -10.419  -1.053
  279   1HG2  VAL  42          1HG2      VAL  42   5.289  -7.341  -1.300
  280   2HG2  VAL  42          2HG2      VAL  42   6.647  -8.421  -0.989
  281   3HG2  VAL  42          3HG2      VAL  42   5.458  -8.114   0.277
  282    H    GLU  43           H        GLU  43   1.749  -9.138  -2.552
  283    HA   GLU  43           HA       GLU  43   1.483 -11.947  -3.510
  284   1HB   GLU  43          2HB       GLU  43  -0.633 -10.147  -2.291
  285   2HB   GLU  43          1HB       GLU  43  -0.758 -11.884  -2.576
  286   1HG   GLU  43          2HG       GLU  43   1.472 -11.890  -1.091
  287   2HG   GLU  43          1HG       GLU  43   0.740 -10.414  -0.458
  288    H    SER  44           H        SER  44   1.327  -8.774  -4.626
  289    HA   SER  44           HA       SER  44  -0.742  -9.380  -6.669
  290   1HB   SER  44          2HB       SER  44   0.515  -6.892  -5.592
  291   2HB   SER  44          1HB       SER  44  -0.063  -6.866  -7.256
  292    HG   SER  44           HG       SER  44  -2.070  -7.744  -6.361
  293    H    ASN  45           H        ASN  45   2.479  -9.912  -6.327
  294    HA   ASN  45           HA       ASN  45   4.058 -10.568  -7.952
  295   1HB   ASN  45          2HB       ASN  45   1.829 -10.994  -9.295
  296   2HB   ASN  45          1HB       ASN  45   2.308  -9.532 -10.158
  297   1HD2  ASN  45          1HD2      ASN  45   2.383 -12.632 -10.789
  298   2HD2  ASN  45          2HD2      ASN  45   3.936 -12.834 -11.443
  299    H    GLY  46           H        GLY  46   3.218  -7.602  -7.069
  300   1HA   GLY  46          2HA       GLY  46   4.508  -5.617  -7.173
  301   2HA   GLY  46          1HA       GLY  46   5.530  -6.383  -8.389
  302    H    THR  47           H        THR  47   2.078  -6.416  -8.829
  303    HA   THR  47           HA       THR  47   2.431  -4.472 -11.070
  304    HB   THR  47           HB       THR  47  -0.053  -5.772 -11.341
  305    HG1  THR  47           1HG      THR  47   0.405  -7.886 -11.050
  306   1HG2  THR  47          1HG2      THR  47   2.641  -6.201 -12.656
  307   2HG2  THR  47          2HG2      THR  47   1.345  -5.138 -13.205
  308   3HG2  THR  47          3HG2      THR  47   1.136  -6.890 -13.262
  309    H    LEU  48           H        LEU  48   0.929  -4.954  -8.028
  310    HA   LEU  48           HA       LEU  48  -1.353  -3.213  -8.420
  311   1HB   LEU  48          2HB       LEU  48  -1.446  -4.766  -6.593
  312   2HB   LEU  48          1HB       LEU  48   0.100  -4.206  -5.955
  313    HG   LEU  48           HG       LEU  48  -0.841  -2.078  -5.350
  314   1HD1  LEU  48          1HD1      LEU  48  -2.908  -2.906  -7.267
  315   2HD1  LEU  48          2HD1      LEU  48  -2.408  -1.283  -6.783
  316   3HD1  LEU  48          3HD1      LEU  48  -3.561  -2.181  -5.796
  317   1HD2  LEU  48          1HD2      LEU  48  -3.098  -3.190  -4.189
  318   2HD2  LEU  48          2HD2      LEU  48  -1.473  -3.233  -3.505
  319   3HD2  LEU  48          3HD2      LEU  48  -2.063  -4.591  -4.466
  320    H    THR  49           H        THR  49  -1.397  -0.981  -8.332
  321    HA   THR  49           HA       THR  49   1.112   0.378  -7.432
  322    HB   THR  49           HB       THR  49   0.874   1.974  -9.200
  323    HG1  THR  49           1HG      THR  49  -1.074   2.399  -9.797
  324   1HG2  THR  49          1HG2      THR  49   0.697   0.372 -11.228
  325   2HG2  THR  49          2HG2      THR  49   0.491  -0.898 -10.023
  326   3HG2  THR  49          3HG2      THR  49   1.968   0.065 -10.044
  327    H    LEU  50           H        LEU  50  -0.074   2.967  -7.917
  328    HA   LEU  50           HA       LEU  50  -1.824   3.176  -5.530
  329   1HB   LEU  50          2HB       LEU  50  -0.026   4.539  -5.022
  330   2HB   LEU  50          1HB       LEU  50   0.367   4.820  -6.709
  331    HG   LEU  50           HG       LEU  50  -1.681   6.312  -6.837
  332   1HD1  LEU  50          1HD1      LEU  50  -1.570   6.569  -3.871
  333   2HD1  LEU  50          2HD1      LEU  50  -2.443   5.182  -4.523
  334   3HD1  LEU  50          3HD1      LEU  50  -2.923   6.817  -4.969
  335   1HD2  LEU  50          1HD2      LEU  50  -0.556   8.171  -5.544
  336   2HD2  LEU  50          2HD2      LEU  50   0.505   7.319  -6.664
  337   3HD2  LEU  50          3HD2      LEU  50   0.585   6.971  -4.936
  338    H    SER  51           H        SER  51  -3.789   4.316  -5.725
  339    HA   SER  51           HA       SER  51  -4.568   5.051  -8.519
  340   1HB   SER  51          2HB       SER  51  -5.800   3.224  -6.898
  341   2HB   SER  51          1HB       SER  51  -6.697   4.686  -6.495
  342    HG   SER  51           HG       SER  51  -7.300   4.894  -8.589
  343    H    HIS  52           H        HIS  52  -4.694   5.962  -5.111
  344    HA   HIS  52           HA       HIS  52  -4.345   8.703  -5.551
  345   1HB   HIS  52          2HB       HIS  52  -6.390   9.652  -5.886
  346   2HB   HIS  52          1HB       HIS  52  -6.858   8.050  -6.446
  347    HD1  HIS  52           1HD      HIS  52  -8.205   6.545  -4.753
  348    HD2  HIS  52           2HD      HIS  52  -7.524  10.437  -3.423
  349    HE1  HIS  52           1HE      HIS  52  -9.740   6.906  -2.771
  350    H    PHE  53           H        PHE  53  -3.271   8.971  -3.683
  351    HA   PHE  53           HA       PHE  53  -3.357   7.538  -1.342
  352   1HB   PHE  53          2HB       PHE  53  -2.929  10.506  -1.749
  353   2HB   PHE  53          1HB       PHE  53  -2.692   9.719  -0.194
  354    HD1  PHE  53           1HD      PHE  53  -1.559   9.791  -3.727
  355    HD2  PHE  53           2HD      PHE  53  -0.757   8.366   0.246
  356    HE1  PHE  53           1HE      PHE  53   0.698   9.062  -4.444
  357    HE2  PHE  53           2HE      PHE  53   1.509   7.635  -0.475
  358    HZ   PHE  53           HZ       PHE  53   2.229   7.990  -2.823
  359    H    GLY  54           H        GLY  54  -5.457   6.871  -0.759
  360   1HA   GLY  54          2HA       GLY  54  -6.896   8.250   1.158
  361   2HA   GLY  54          1HA       GLY  54  -7.614   8.784  -0.364
  362    H    LYS  55           H        LYS  55  -9.039   7.243   1.574
  363    HA   LYS  55           HA       LYS  55  -9.051   4.451   0.708
  364   1HB   LYS  55          2HB       LYS  55 -11.082   4.309   2.177
  365   2HB   LYS  55          1HB       LYS  55  -9.665   4.958   3.005
  366   1HG   LYS  55          2HG       LYS  55 -11.062   7.126   1.748
  367   2HG   LYS  55          1HG       LYS  55 -12.215   6.185   2.694
  368   1HD   LYS  55          2HD       LYS  55 -11.419   7.134   4.568
  369   2HD   LYS  55          1HD       LYS  55  -9.848   6.396   4.252
  370   1HE   LYS  55          2HE       LYS  55  -8.967   8.400   3.733
  371   2HE   LYS  55          1HE       LYS  55 -10.209   8.663   2.510
  372   1HZ   LYS  55          1HZ       LYS  55 -11.255  10.073   3.840
  373   2HZ   LYS  55          2HZ       LYS  55  -9.944   9.977   4.917
  374   3HZ   LYS  55          3HZ       LYS  55 -11.286   8.956   5.116
  375    H    CYS  56           H        CYS  56 -10.462   3.513  -0.755
  376    HA   CYS  56           HA       CYS  56 -12.058   5.397  -2.397
  377   1HB   CYS  56          2HB       CYS  56 -10.850   2.705  -2.809
  378   2HB   CYS  56          1HB       CYS  56 -12.335   3.054  -3.689
  Start of MODEL    4
    1   1H    ALA   3          1HT       ALA   3   7.983   4.069  -8.212
    2   2H    ALA   3          2HT       ALA   3   9.341   3.164  -8.684
    3   3H    ALA   3          3HT       ALA   3   8.295   2.570  -7.484
    4    HA   ALA   3           HA       ALA   3   7.927   2.675 -10.393
    5   1HB   ALA   3          1HB       ALA   3   7.045   0.655  -8.312
    6   2HB   ALA   3          2HB       ALA   3   8.620   0.604  -9.105
    7   3HB   ALA   3          3HB       ALA   3   7.147   0.419 -10.057
    8    H    VAL   4           H        VAL   4   6.293   3.350  -7.390
    9    HA   VAL   4           HA       VAL   4   3.858   4.020  -8.957
   10    HB   VAL   4           HB       VAL   4   3.973   1.755  -7.419
   11   1HG1  VAL   4          1HG1      VAL   4   4.211   2.956  -5.311
   12   2HG1  VAL   4          2HG1      VAL   4   2.603   2.237  -5.387
   13   3HG1  VAL   4          3HG1      VAL   4   2.811   3.960  -5.689
   14   1HG2  VAL   4          1HG2      VAL   4   1.347   2.292  -7.263
   15   2HG2  VAL   4          2HG2      VAL   4   2.133   1.863  -8.782
   16   3HG2  VAL   4          3HG2      VAL   4   1.817   3.556  -8.399
   17    H    SER   5           H        SER   5   5.449   4.273  -5.786
   18    HA   SER   5           HA       SER   5   5.489   7.097  -5.699
   19   1HB   SER   5          2HB       SER   5   3.033   6.955  -5.692
   20   2HB   SER   5          1HB       SER   5   3.088   5.875  -4.304
   21    HG   SER   5           HG       SER   5   2.813   7.849  -3.432
   22    H    VAL   6           H        VAL   6   4.556   4.479  -3.432
   23    HA   VAL   6           HA       VAL   6   6.500   5.490  -1.463
   24    HB   VAL   6           HB       VAL   6   5.618   3.688  -0.027
   25   1HG1  VAL   6          1HG1      VAL   6   4.059   5.803  -1.244
   26   2HG1  VAL   6          2HG1      VAL   6   4.044   5.233   0.425
   27   3HG1  VAL   6          3HG1      VAL   6   3.019   4.456  -0.781
   28   1HG2  VAL   6          1HG2      VAL   6   3.497   2.891  -1.896
   29   2HG2  VAL   6          2HG2      VAL   6   4.504   1.889  -0.853
   30   3HG2  VAL   6          3HG2      VAL   6   5.107   2.406  -2.427
   31    H    ASP   7           H        ASP   7   8.040   3.829  -0.466
   32    HA   ASP   7           HA       ASP   7   9.390   2.391  -2.680
   33   1HB   ASP   7          2HB       ASP   7  10.541   3.982  -0.958
   34   2HB   ASP   7          1HB       ASP   7  10.447   2.596   0.132
   35    H    CYS   8           H        CYS   8   8.817   0.295  -2.955
   36    HA   CYS   8           HA       CYS   8   8.185  -1.309  -0.509
   37   1HB   CYS   8          2HB       CYS   8   7.215  -1.823  -3.335
   38   2HB   CYS   8          1HB       CYS   8   6.699  -2.658  -1.869
   39    H    SER   9           H        SER   9  10.852  -0.888  -1.602
   40    HA   SER   9           HA       SER   9  11.495  -3.406  -3.006
   41   1HB   SER   9          2HB       SER   9  12.723  -0.819  -2.730
   42   2HB   SER   9          1HB       SER   9  13.862  -2.057  -2.210
   43    HG   SER   9           HG       SER   9  12.415  -1.972  -4.657
   44    H    GLU  10           H        GLU  10  10.783  -2.752   0.086
   45    HA   GLU  10           HA       GLU  10  12.747  -4.769   1.089
   46   1HB   GLU  10          2HB       GLU  10  12.297  -3.388   3.346
   47   2HB   GLU  10          1HB       GLU  10  13.595  -2.957   2.233
   48   1HG   GLU  10          2HG       GLU  10  10.845  -1.801   1.845
   49   2HG   GLU  10          1HG       GLU  10  11.937  -1.092   3.035
   50    H    TYR  11           H        TYR  11  10.299  -5.571   0.162
   51    HA   TYR  11           HA       TYR  11   8.802  -6.112   2.693
   52   1HB   TYR  11          2HB       TYR  11   7.819  -5.310  -0.019
   53   2HB   TYR  11          1HB       TYR  11   6.829  -6.413   0.937
   54    HD1  TYR  11           1HD      TYR  11   5.558  -5.634   2.789
   55    HD2  TYR  11           2HD      TYR  11   8.537  -3.102   1.008
   56    HE1  TYR  11           1HE      TYR  11   4.757  -3.726   4.157
   57    HE2  TYR  11           2HE      TYR  11   7.735  -1.195   2.375
   58    HH   TYR  11           HH       TYR  11   6.488  -0.953   4.637
   59    HA   PRO  12           HA       PRO  12   6.677  -7.222   2.610
   60   1HB   PRO  12          2HB       PRO  12   6.096  -9.352   4.248
   61   2HB   PRO  12          1HB       PRO  12   5.443  -9.166   2.612
   62   1HG   PRO  12          2HG       PRO  12   7.602 -10.988   3.579
   63   2HG   PRO  12          1HG       PRO  12   6.489 -11.191   2.215
   64   1HD   PRO  12          2HD       PRO  12   9.187 -10.394   2.019
   65   2HD   PRO  12          1HD       PRO  12   7.963 -10.228   0.742
   66    H    LYS  13           H        LYS  13   6.382  -6.767   4.996
   67    HA   LYS  13           HA       LYS  13   9.048  -6.645   6.315
   68   1HB   LYS  13          2HB       LYS  13   6.532  -5.187   7.147
   69   2HB   LYS  13          1HB       LYS  13   8.197  -4.807   7.585
   70   1HG   LYS  13          2HG       LYS  13   7.366  -4.827   4.693
   71   2HG   LYS  13          1HG       LYS  13   7.041  -3.414   5.698
   72   1HD   LYS  13          2HD       LYS  13   9.768  -4.694   5.345
   73   2HD   LYS  13          1HD       LYS  13   9.223  -3.238   4.511
   74   1HE   LYS  13          2HE       LYS  13   8.783  -2.224   6.796
   75   2HE   LYS  13          1HE       LYS  13   9.620  -3.611   7.489
   76   1HZ   LYS  13          1HZ       LYS  13  11.613  -3.003   6.512
   77   2HZ   LYS  13          2HZ       LYS  13  10.960  -1.506   6.983
   78   3HZ   LYS  13          3HZ       LYS  13  10.875  -2.002   5.360
   79    HA   PRO  14           HA       PRO  14   7.741  -9.558   9.339
   80   1HB   PRO  14          2HB       PRO  14   9.569  -8.910  11.288
   81   2HB   PRO  14          1HB       PRO  14   9.980  -9.830   9.829
   82   1HG   PRO  14          2HG       PRO  14  10.595  -6.988  10.490
   83   2HG   PRO  14          1HG       PRO  14  11.460  -8.103   9.419
   84   1HD   PRO  14          2HD       PRO  14   9.692  -6.048   8.596
   85   2HD   PRO  14          1HD       PRO  14  10.305  -7.370   7.579
   86    H    ALA  15           H        ALA  15   7.491  -6.189   9.699
   87    HA   ALA  15           HA       ALA  15   5.388  -6.429  11.696
   88   1HB   ALA  15          1HB       ALA  15   8.035  -5.142  12.419
   89   2HB   ALA  15          2HB       ALA  15   7.228  -6.470  13.254
   90   3HB   ALA  15          3HB       ALA  15   6.540  -4.847  13.309
   91    H    CYS  16           H        CYS  16   4.166  -4.449  11.826
   92    HA   CYS  16           HA       CYS  16   5.113  -2.244  10.067
   93   1HB   CYS  16          2HB       CYS  16   2.593  -3.857   9.763
   94   2HB   CYS  16          1HB       CYS  16   2.620  -2.164   9.262
   95    H    THR  17           H        THR  17   4.346  -0.208  10.664
   96    HA   THR  17           HA       THR  17   3.525   0.088  13.423
   97    HB   THR  17           HB       THR  17   3.053   2.512  12.016
   98    HG1  THR  17           1HG      THR  17   4.222   2.147  10.305
   99   1HG2  THR  17          1HG2      THR  17   5.323   3.056  13.140
  100   2HG2  THR  17          2HG2      THR  17   5.228   1.418  13.787
  101   3HG2  THR  17          3HG2      THR  17   3.975   2.594  14.181
  102    H    MET  18           H        MET  18   1.527   1.270  14.081
  103    HA   MET  18           HA       MET  18  -0.792   0.254  12.552
  104   1HB   MET  18          2HB       MET  18  -0.246   1.018  15.323
  105   2HB   MET  18          1HB       MET  18  -1.765   1.690  14.729
  106   1HG   MET  18          2HG       MET  18  -2.765  -0.336  14.701
  107   2HG   MET  18          1HG       MET  18  -1.378  -1.093  13.916
  108   1HE   MET  18          1HE       MET  18  -2.763  -2.504  17.572
  109   2HE   MET  18          2HE       MET  18  -2.572  -3.128  15.935
  110   3HE   MET  18          3HE       MET  18  -3.548  -1.688  16.211
  111    H    GLU  19           H        GLU  19   0.952   2.598  11.693
  112    HA   GLU  19           HA       GLU  19  -0.298   5.081  12.024
  113   1HB   GLU  19          2HB       GLU  19   1.758   4.995  10.803
  114   2HB   GLU  19          1HB       GLU  19   1.088   3.877   9.617
  115   1HG   GLU  19          2HG       GLU  19   1.128   6.076   8.612
  116   2HG   GLU  19          1HG       GLU  19  -0.553   5.677   8.961
  117    H    TYR  20           H        TYR  20  -1.925   6.191  10.811
  118    HA   TYR  20           HA       TYR  20  -3.907   4.348   9.548
  119   1HB   TYR  20          2HB       TYR  20  -4.309   6.123  11.555
  120   2HB   TYR  20          1HB       TYR  20  -4.672   7.125  10.155
  121    HD1  TYR  20           1HD      TYR  20  -5.960   5.533   8.234
  122    HD2  TYR  20           2HD      TYR  20  -6.238   5.220  12.508
  123    HE1  TYR  20           1HE      TYR  20  -8.172   4.438   8.008
  124    HE2  TYR  20           2HE      TYR  20  -8.451   4.124  12.284
  125    HH   TYR  20           HH       TYR  20 -10.355   4.285   9.952
  126    H    ARG  21           H        ARG  21  -2.927   4.374   7.511
  127    HA   ARG  21           HA       ARG  21  -3.297   6.920   6.000
  128   1HB   ARG  21          2HB       ARG  21  -0.823   6.007   6.575
  129   2HB   ARG  21          1HB       ARG  21  -1.136   5.072   5.112
  130   1HG   ARG  21          2HG       ARG  21  -1.446   7.019   3.797
  131   2HG   ARG  21          1HG       ARG  21  -1.635   8.048   5.219
  132   1HD   ARG  21          2HD       ARG  21   0.896   6.741   5.420
  133   2HD   ARG  21          1HD       ARG  21   0.768   7.427   3.801
  134    HE   ARG  21           HE       ARG  21   0.002   9.242   5.987
  135   1HH1  ARG  21          1HH1      ARG  21   2.923   7.897   5.178
  136   2HH1  ARG  21          2HH1      ARG  21   3.695   9.373   4.703
  137   1HH2  ARG  21          1HH2      ARG  21   0.775  11.239   4.797
  138   2HH2  ARG  21          2HH2      ARG  21   2.479  11.265   4.489
  139    HA   PRO  22           HA       PRO  22  -5.672   3.690   3.894
  140   1HB   PRO  22          2HB       PRO  22  -7.530   5.443   2.883
  141   2HB   PRO  22          1HB       PRO  22  -7.633   4.734   4.503
  142   1HG   PRO  22          2HG       PRO  22  -6.852   7.506   3.713
  143   2HG   PRO  22          1HG       PRO  22  -7.584   6.932   5.221
  144   1HD   PRO  22          2HD       PRO  22  -4.858   7.572   4.860
  145   2HD   PRO  22          1HD       PRO  22  -5.535   6.653   6.220
  146    H    LEU  23           H        LEU  23  -4.609   3.058   2.048
  147    HA   LEU  23           HA       LEU  23  -4.063   5.148  -0.025
  148   1HB   LEU  23          2HB       LEU  23  -2.745   2.446   0.387
  149   2HB   LEU  23          1HB       LEU  23  -2.317   3.616  -0.863
  150    HG   LEU  23           HG       LEU  23  -2.011   3.896   2.134
  151   1HD1  LEU  23          1HD1      LEU  23  -0.288   3.192  -0.029
  152   2HD1  LEU  23          2HD1      LEU  23   0.133   3.403   1.671
  153   3HD1  LEU  23          3HD1      LEU  23   0.216   4.774   0.565
  154   1HD2  LEU  23          1HD2      LEU  23  -1.117   6.239   1.425
  155   2HD2  LEU  23          2HD2      LEU  23  -2.862   6.020   1.554
  156   3HD2  LEU  23          3HD2      LEU  23  -2.086   6.000  -0.029
  157    H    CYS  24           H        CYS  24  -5.294   5.027  -1.835
  158    HA   CYS  24           HA       CYS  24  -6.990   2.649  -2.245
  159   1HB   CYS  24          2HB       CYS  24  -7.909   4.960  -2.499
  160   2HB   CYS  24          1HB       CYS  24  -6.825   5.203  -3.869
  161    H    GLY  25           H        GLY  25  -5.446   1.077  -2.964
  162   1HA   GLY  25          2HA       GLY  25  -3.403   1.378  -4.834
  163   2HA   GLY  25          1HA       GLY  25  -4.358  -0.099  -4.687
  164    H    SER  26           H        SER  26  -3.314   1.135  -7.148
  165    HA   SER  26           HA       SER  26  -5.252   2.558  -8.623
  166   1HB   SER  26          2HB       SER  26  -2.832   1.862  -9.261
  167   2HB   SER  26          1HB       SER  26  -3.585   0.396  -9.884
  168    HG   SER  26           HG       SER  26  -3.717   1.725 -11.573
  169    H    ASP  27           H        ASP  27  -5.423  -0.652  -7.441
  170    HA   ASP  27           HA       ASP  27  -7.319  -1.551  -9.505
  171   1HB   ASP  27          2HB       ASP  27  -7.373  -3.637  -8.269
  172   2HB   ASP  27          1HB       ASP  27  -5.694  -3.113  -8.391
  173    H    ASN  28           H        ASN  28  -7.826   0.781  -7.564
  174    HA   ASN  28           HA       ASN  28  -9.687   1.648  -6.439
  175   1HB   ASN  28          2HB       ASN  28 -10.679  -0.124  -8.422
  176   2HB   ASN  28          1HB       ASN  28 -11.607  -0.434  -6.956
  177   1HD2  ASN  28          1HD2      ASN  28 -13.500   0.625  -8.007
  178   2HD2  ASN  28          2HD2      ASN  28 -13.574   2.319  -8.107
  179    H    LYS  29           H        LYS  29  -7.866  -0.152  -5.066
  180    HA   LYS  29           HA       LYS  29  -9.745  -1.497  -3.165
  181   1HB   LYS  29          2HB       LYS  29  -7.883  -2.818  -4.419
  182   2HB   LYS  29          1HB       LYS  29  -6.778  -2.017  -3.302
  183   1HG   LYS  29          2HG       LYS  29  -7.283  -3.580  -1.769
  184   2HG   LYS  29          1HG       LYS  29  -8.927  -2.943  -1.726
  185   1HD   LYS  29          2HD       LYS  29  -9.751  -4.700  -2.892
  186   2HD   LYS  29          1HD       LYS  29  -8.427  -4.649  -4.057
  187   1HE   LYS  29          2HE       LYS  29  -8.151  -5.780  -1.259
  188   2HE   LYS  29          1HE       LYS  29  -8.509  -6.763  -2.678
  189   1HZ   LYS  29          1HZ       LYS  29  -6.244  -6.885  -2.623
  190   2HZ   LYS  29          2HZ       LYS  29  -6.050  -5.322  -1.985
  191   3HZ   LYS  29          3HZ       LYS  29  -6.435  -5.530  -3.626
  192    H    THR  30           H        THR  30  -9.579  -0.975  -0.958
  193    HA   THR  30           HA       THR  30  -8.030   1.491  -0.389
  194    HB   THR  30           HB       THR  30 -10.188   0.048   1.178
  195    HG1  THR  30           1HG      THR  30 -11.463   1.435   0.244
  196   1HG2  THR  30          1HG2      THR  30  -8.445   1.194   2.601
  197   2HG2  THR  30          2HG2      THR  30 -10.072   1.848   2.776
  198   3HG2  THR  30          3HG2      THR  30  -8.877   2.705   1.802
  199    H    TYR  31           H        TYR  31  -6.318   1.522   1.032
  200    HA   TYR  31           HA       TYR  31  -5.500  -1.086   2.223
  201   1HB   TYR  31          2HB       TYR  31  -3.806   1.269   1.368
  202   2HB   TYR  31          1HB       TYR  31  -3.217  -0.258   1.999
  203    HD1  TYR  31           1HD      TYR  31  -5.553  -1.824   0.495
  204    HD2  TYR  31           2HD      TYR  31  -2.504   0.945  -0.707
  205    HE1  TYR  31           1HE      TYR  31  -5.592  -2.775  -1.795
  206    HE2  TYR  31           2HE      TYR  31  -2.540  -0.005  -2.999
  207    HH   TYR  31           HH       TYR  31  -4.822  -2.604  -3.868
  208    H    GLY  32           H        GLY  32  -4.060  -0.744   4.201
  209   1HA   GLY  32          2HA       GLY  32  -5.364   1.270   5.952
  210   2HA   GLY  32          1HA       GLY  32  -4.434  -0.122   6.510
  211    H    ASN  33           H        ASN  33  -2.416   0.633   4.291
  212    HA   ASN  33           HA       ASN  33  -1.281   3.161   4.766
  213   1HB   ASN  33          2HB       ASN  33   0.521   2.606   6.397
  214   2HB   ASN  33          1HB       ASN  33  -1.084   2.545   7.118
  215   1HD2  ASN  33          1HD2      ASN  33   0.315   1.072   8.675
  216   2HD2  ASN  33          2HD2      ASN  33   0.338  -0.582   8.297
  217    H    LYS  34           H        LYS  34   1.121   3.164   4.202
  218    HA   LYS  34           HA       LYS  34   1.587   1.887   1.754
  219   1HB   LYS  34          2HB       LYS  34   3.959   2.496   2.069
  220   2HB   LYS  34          1HB       LYS  34   2.897   3.819   2.554
  221   1HG   LYS  34          2HG       LYS  34   3.049   2.901   4.928
  222   2HG   LYS  34          1HG       LYS  34   4.349   1.859   4.345
  223   1HD   LYS  34          2HD       LYS  34   5.820   3.555   4.469
  224   2HD   LYS  34          1HD       LYS  34   4.799   4.558   3.439
  225   1HE   LYS  34          2HE       LYS  34   5.048   5.702   5.553
  226   2HE   LYS  34          1HE       LYS  34   3.400   5.083   5.470
  227   1HZ   LYS  34          1HZ       LYS  34   3.795   3.546   7.063
  228   2HZ   LYS  34          2HZ       LYS  34   4.958   4.684   7.552
  229   3HZ   LYS  34          3HZ       LYS  34   5.422   3.333   6.633
  230    H    CYS  35           H        CYS  35   1.770   0.529   4.925
  231    HA   CYS  35           HA       CYS  35   3.692  -1.549   4.313
  232   1HB   CYS  35          2HB       CYS  35   3.335  -1.089   6.629
  233   2HB   CYS  35          1HB       CYS  35   1.586  -1.225   6.461
  234    H    ASN  36           H        ASN  36   0.151  -1.324   4.282
  235    HA   ASN  36           HA       ASN  36  -0.168  -4.063   3.378
  236   1HB   ASN  36          2HB       ASN  36  -1.802  -1.887   4.347
  237   2HB   ASN  36          1HB       ASN  36  -2.502  -2.573   2.891
  238   1HD2  ASN  36          1HD2      ASN  36  -0.921  -3.751   5.913
  239   2HD2  ASN  36          2HD2      ASN  36  -1.987  -5.053   6.145
  240    H    PHE  37           H        PHE  37   0.609  -1.081   1.916
  241    HA   PHE  37           HA       PHE  37  -0.574  -1.716  -0.701
  242   1HB   PHE  37          2HB       PHE  37  -0.308   0.651   0.015
  243   2HB   PHE  37          1HB       PHE  37   1.439   0.417   0.089
  244    HD1  PHE  37           1HD      PHE  37   2.613  -0.450  -2.057
  245    HD2  PHE  37           2HD      PHE  37  -1.310   1.297  -2.035
  246    HE1  PHE  37           1HE      PHE  37   2.798   0.001  -4.488
  247    HE2  PHE  37           2HE      PHE  37  -1.127   1.746  -4.466
  248    HZ   PHE  37           HZ       PHE  37   0.928   1.098  -5.691
  249    H    CYS  38           H        CYS  38   2.669  -1.612   0.762
  250    HA   CYS  38           HA       CYS  38   4.005  -2.586  -1.615
  251   1HB   CYS  38          2HB       CYS  38   4.889  -2.539   1.289
  252   2HB   CYS  38          1HB       CYS  38   5.939  -2.914  -0.078
  253    H    ASN  39           H        ASN  39   2.589  -4.067   1.254
  254    HA   ASN  39           HA       ASN  39   3.658  -6.712   0.707
  255   1HB   ASN  39          2HB       ASN  39   1.724  -5.512   2.619
  256   2HB   ASN  39          1HB       ASN  39   1.462  -7.213   2.230
  257   1HD2  ASN  39          1HD2      ASN  39   2.450  -6.104   4.814
  258   2HD2  ASN  39          2HD2      ASN  39   3.980  -6.795   5.064
  259    H    ALA  40           H        ALA  40   0.562  -5.075   0.122
  260    HA   ALA  40           HA       ALA  40  -0.738  -7.276  -1.158
  261   1HB   ALA  40          1HB       ALA  40  -2.293  -5.606  -0.891
  262   2HB   ALA  40          2HB       ALA  40  -1.751  -5.133  -2.501
  263   3HB   ALA  40          3HB       ALA  40  -1.094  -4.326  -1.079
  264    H    VAL  41           H        VAL  41   1.765  -5.086  -2.096
  265    HA   VAL  41           HA       VAL  41   1.591  -5.641  -4.958
  266    HB   VAL  41           HB       VAL  41   3.690  -4.310  -3.226
  267   1HG1  VAL  41          1HG1      VAL  41   3.855  -5.338  -5.958
  268   2HG1  VAL  41          2HG1      VAL  41   5.136  -4.731  -4.911
  269   3HG1  VAL  41          3HG1      VAL  41   4.175  -3.607  -5.871
  270   1HG2  VAL  41          1HG2      VAL  41   2.374  -2.834  -5.403
  271   2HG2  VAL  41          2HG2      VAL  41   2.621  -2.369  -3.719
  272   3HG2  VAL  41          3HG2      VAL  41   1.256  -3.395  -4.160
  273    H    VAL  42           H        VAL  42   3.375  -6.896  -2.177
  274    HA   VAL  42           HA       VAL  42   5.046  -8.614  -3.893
  275    HB   VAL  42           HB       VAL  42   4.738  -8.474  -0.879
  276   1HG1  VAL  42          1HG1      VAL  42   6.905  -9.785  -0.939
  277   2HG1  VAL  42          2HG1      VAL  42   6.617 -10.049  -2.659
  278   3HG1  VAL  42          3HG1      VAL  42   5.485 -10.688  -1.467
  279   1HG2  VAL  42          1HG2      VAL  42   7.179  -7.577  -1.263
  280   2HG2  VAL  42          2HG2      VAL  42   5.812  -6.489  -1.501
  281   3HG2  VAL  42          3HG2      VAL  42   6.598  -7.235  -2.892
  282    H    GLU  43           H        GLU  43   1.919  -8.729  -2.623
  283    HA   GLU  43           HA       GLU  43   1.884 -11.691  -2.434
  284   1HB   GLU  43          2HB       GLU  43  -0.197  -9.570  -1.827
  285   2HB   GLU  43          1HB       GLU  43  -0.519 -11.301  -1.736
  286   1HG   GLU  43          2HG       GLU  43   1.926 -10.477  -0.322
  287   2HG   GLU  43          1HG       GLU  43   0.450  -9.775   0.341
  288    H    SER  44           H        SER  44   0.863  -9.051  -4.495
  289    HA   SER  44           HA       SER  44  -0.737 -10.876  -6.191
  290   1HB   SER  44          2HB       SER  44  -1.178  -8.308  -5.583
  291   2HB   SER  44          1HB       SER  44  -0.163  -8.060  -6.998
  292    HG   SER  44           HG       SER  44  -2.368  -8.241  -7.558
  293    H    ASN  45           H        ASN  45   2.384 -10.677  -5.813
  294    HA   ASN  45           HA       ASN  45   4.150 -11.323  -7.236
  295   1HB   ASN  45          2HB       ASN  45   2.092 -12.345  -8.554
  296   2HB   ASN  45          1HB       ASN  45   2.418 -11.010  -9.661
  297   1HD2  ASN  45          1HD2      ASN  45   4.699 -13.037  -7.745
  298   2HD2  ASN  45          2HD2      ASN  45   5.588 -13.570  -9.090
  299    H    GLY  46           H        GLY  46   2.531  -8.441  -7.193
  300   1HA   GLY  46          2HA       GLY  46   3.901  -6.398  -7.469
  301   2HA   GLY  46          1HA       GLY  46   4.647  -7.160  -8.873
  302    H    THR  47           H        THR  47   1.257  -7.647  -8.515
  303    HA   THR  47           HA       THR  47   0.802  -5.817 -10.823
  304    HB   THR  47           HB       THR  47  -1.233  -7.109 -11.213
  305    HG1  THR  47           1HG      THR  47  -1.570  -8.940  -9.777
  306   1HG2  THR  47          1HG2      THR  47   0.024  -8.639 -12.273
  307   2HG2  THR  47          2HG2      THR  47   0.353  -9.459 -10.747
  308   3HG2  THR  47          3HG2      THR  47   1.402  -8.149 -11.286
  309    H    LEU  48           H        LEU  48   1.095  -4.607  -8.288
  310    HA   LEU  48           HA       LEU  48  -1.670  -3.562  -7.898
  311   1HB   LEU  48          2HB       LEU  48  -0.986  -5.225  -6.087
  312   2HB   LEU  48          1HB       LEU  48   0.238  -4.053  -5.602
  313    HG   LEU  48           HG       LEU  48  -2.199  -2.628  -5.911
  314   1HD1  LEU  48          1HD1      LEU  48  -2.467  -5.322  -4.621
  315   2HD1  LEU  48          2HD1      LEU  48  -3.619  -4.450  -5.632
  316   3HD1  LEU  48          3HD1      LEU  48  -3.369  -3.961  -3.956
  317   1HD2  LEU  48          1HD2      LEU  48  -0.241  -2.229  -4.350
  318   2HD2  LEU  48          2HD2      LEU  48  -0.864  -3.539  -3.346
  319   3HD2  LEU  48          3HD2      LEU  48  -1.826  -2.081  -3.589
  320    H    THR  49           H        THR  49  -1.522  -1.472  -8.505
  321    HA   THR  49           HA       THR  49   0.962   0.039  -7.815
  322    HB   THR  49           HB       THR  49   0.195   1.617  -9.620
  323    HG1  THR  49           1HG      THR  49  -1.651  -0.470 -10.127
  324   1HG2  THR  49          1HG2      THR  49   0.574  -1.286 -10.388
  325   2HG2  THR  49          2HG2      THR  49   1.853  -0.101 -10.118
  326   3HG2  THR  49          3HG2      THR  49   0.757   0.081 -11.488
  327    H    LEU  50           H        LEU  50  -0.286   2.613  -8.200
  328    HA   LEU  50           HA       LEU  50  -2.066   2.660  -5.804
  329   1HB   LEU  50          2HB       LEU  50  -0.608   4.106  -4.877
  330   2HB   LEU  50          1HB       LEU  50   0.424   3.975  -6.291
  331    HG   LEU  50           HG       LEU  50  -1.415   5.747  -7.236
  332   1HD1  LEU  50          1HD1      LEU  50  -2.205   5.538  -4.624
  333   2HD1  LEU  50          2HD1      LEU  50  -2.472   6.957  -5.636
  334   3HD1  LEU  50          3HD1      LEU  50  -1.086   6.900  -4.549
  335   1HD2  LEU  50          1HD2      LEU  50   0.291   7.475  -6.093
  336   2HD2  LEU  50          2HD2      LEU  50   0.760   6.459  -7.457
  337   3HD2  LEU  50          3HD2      LEU  50   1.190   5.984  -5.813
  338    H    SER  51           H        SER  51  -3.731   4.321  -5.828
  339    HA   SER  51           HA       SER  51  -4.445   5.248  -8.582
  340   1HB   SER  51          2HB       SER  51  -5.873   3.410  -7.011
  341   2HB   SER  51          1HB       SER  51  -6.743   4.931  -6.824
  342    HG   SER  51           HG       SER  51  -6.753   5.086  -9.118
  343    H    HIS  52           H        HIS  52  -4.330   5.871  -5.151
  344    HA   HIS  52           HA       HIS  52  -3.972   8.614  -5.288
  345   1HB   HIS  52          2HB       HIS  52  -5.933   9.508  -5.955
  346   2HB   HIS  52          1HB       HIS  52  -6.654   7.906  -6.047
  347    HD1  HIS  52           1HD      HIS  52  -8.504   7.455  -4.438
  348    HD2  HIS  52           2HD      HIS  52  -6.095  10.609  -3.161
  349    HE1  HIS  52           1HE      HIS  52  -9.596   8.387  -2.351
  350    H    PHE  53           H        PHE  53  -2.858   8.494  -3.381
  351    HA   PHE  53           HA       PHE  53  -3.315   6.856  -1.192
  352   1HB   PHE  53          2HB       PHE  53  -2.138   9.614  -1.440
  353   2HB   PHE  53          1HB       PHE  53  -2.292   8.854   0.141
  354    HD1  PHE  53           1HD      PHE  53  -1.862   6.753  -2.817
  355    HD2  PHE  53           2HD      PHE  53   0.189   8.764   0.376
  356    HE1  PHE  53           1HE      PHE  53   0.163   5.400  -3.269
  357    HE2  PHE  53           2HE      PHE  53   2.220   7.406  -0.077
  358    HZ   PHE  53           HZ       PHE  53   2.202   5.726  -1.901
  359    H    GLY  54           H        GLY  54  -5.403   6.574  -0.522
  360   1HA   GLY  54          2HA       GLY  54  -6.645   7.993   1.427
  361   2HA   GLY  54          1HA       GLY  54  -7.156   8.878  -0.014
  362    H    LYS  55           H        LYS  55  -8.426   6.782   1.995
  363    HA   LYS  55           HA       LYS  55  -9.171   4.450   0.650
  364   1HB   LYS  55          2HB       LYS  55 -11.338   4.614   1.936
  365   2HB   LYS  55          1HB       LYS  55  -9.897   4.825   2.931
  366   1HG   LYS  55          2HG       LYS  55 -10.145   7.275   2.780
  367   2HG   LYS  55          1HG       LYS  55 -11.588   7.068   1.784
  368   1HD   LYS  55          2HD       LYS  55 -12.461   5.611   3.758
  369   2HD   LYS  55          1HD       LYS  55 -11.203   6.418   4.699
  370   1HE   LYS  55          2HE       LYS  55 -12.311   8.556   3.437
  371   2HE   LYS  55          1HE       LYS  55 -13.724   7.511   3.586
  372   1HZ   LYS  55          1HZ       LYS  55 -12.388   9.005   5.590
  373   2HZ   LYS  55          2HZ       LYS  55 -12.404   7.356   6.003
  374   3HZ   LYS  55          3HZ       LYS  55 -13.861   8.169   5.683
  375    H    CYS  56           H        CYS  56 -10.465   4.001  -1.096
  376    HA   CYS  56           HA       CYS  56 -11.452   6.282  -2.666
  377   1HB   CYS  56          2HB       CYS  56 -11.077   3.354  -3.113
  378   2HB   CYS  56          1HB       CYS  56 -12.292   4.175  -4.091
  Start of MODEL    5
    1   1H    ALA   3          1HT       ALA   3   6.108  -0.568  -9.887
    2   2H    ALA   3          2HT       ALA   3   4.661   0.312 -10.029
    3   3H    ALA   3          3HT       ALA   3   5.191  -0.216  -8.503
    4    HA   ALA   3           HA       ALA   3   6.697   1.434  -8.272
    5   1HB   ALA   3          1HB       ALA   3   6.979   1.116 -11.253
    6   2HB   ALA   3          2HB       ALA   3   8.204   0.921 -10.000
    7   3HB   ALA   3          3HB       ALA   3   7.644   2.534 -10.444
    8    H    VAL   4           H        VAL   4   5.011   2.728  -7.448
    9    HA   VAL   4           HA       VAL   4   4.088   4.852  -9.282
   10    HB   VAL   4           HB       VAL   4   2.314   3.191  -9.484
   11   1HG1  VAL   4          1HG1      VAL   4   1.945   1.794  -7.757
   12   2HG1  VAL   4          2HG1      VAL   4   1.203   3.134  -6.882
   13   3HG1  VAL   4          3HG1      VAL   4   2.923   2.800  -6.688
   14   1HG2  VAL   4          1HG2      VAL   4   0.424   4.539  -8.469
   15   2HG2  VAL   4          2HG2      VAL   4   1.547   5.482  -9.447
   16   3HG2  VAL   4          3HG2      VAL   4   1.646   5.540  -7.687
   17    H    SER   5           H        SER   5   4.422   6.728  -8.212
   18    HA   SER   5           HA       SER   5   4.823   8.208  -6.432
   19   1HB   SER   5          2HB       SER   5   2.407   8.105  -6.253
   20   2HB   SER   5          1HB       SER   5   2.492   6.582  -5.372
   21    HG   SER   5           HG       SER   5   2.615   9.070  -4.428
   22    H    VAL   6           H        VAL   6   3.693   5.778  -4.175
   23    HA   VAL   6           HA       VAL   6   5.960   5.985  -2.487
   24    HB   VAL   6           HB       VAL   6   3.675   5.009  -1.916
   25   1HG1  VAL   6          1HG1      VAL   6   3.440   2.568  -2.283
   26   2HG1  VAL   6          2HG1      VAL   6   4.929   2.580  -3.229
   27   3HG1  VAL   6          3HG1      VAL   6   3.511   3.453  -3.807
   28   1HG2  VAL   6          1HG2      VAL   6   5.546   2.953  -0.974
   29   2HG2  VAL   6          2HG2      VAL   6   4.651   4.162  -0.053
   30   3HG2  VAL   6          3HG2      VAL   6   6.181   4.591  -0.817
   31    H    ASP   7           H        ASP   7   7.619   4.355  -2.049
   32    HA   ASP   7           HA       ASP   7   8.388   2.852  -4.518
   33   1HB   ASP   7          2HB       ASP   7   9.837   4.823  -3.357
   34   2HB   ASP   7          1HB       ASP   7  10.437   3.436  -2.445
   35    H    CYS   8           H        CYS   8   7.103   1.030  -3.755
   36    HA   CYS   8           HA       CYS   8   7.769  -0.217  -1.190
   37   1HB   CYS   8          2HB       CYS   8   6.095  -1.189  -3.524
   38   2HB   CYS   8          1HB       CYS   8   6.211  -1.998  -1.961
   39    H    SER   9           H        SER   9  10.118   0.013  -2.723
   40    HA   SER   9           HA       SER   9  10.579  -2.611  -3.990
   41   1HB   SER   9          2HB       SER   9  11.535  -0.283  -4.734
   42   2HB   SER   9          1HB       SER   9  12.731  -0.576  -3.476
   43    HG   SER   9           HG       SER   9  12.760  -2.786  -4.630
   44    H    GLU  10           H        GLU  10  10.500  -1.528  -0.865
   45    HA   GLU  10           HA       GLU  10  12.736  -3.338  -0.038
   46   1HB   GLU  10          2HB       GLU  10  12.838  -2.084   2.037
   47   2HB   GLU  10          1HB       GLU  10  12.889  -0.936   0.700
   48   1HG   GLU  10          2HG       GLU  10  10.379  -0.692   0.941
   49   2HG   GLU  10          1HG       GLU  10  10.504  -1.635   2.428
   50    H    TYR  11           H        TYR  11  10.146  -4.315  -0.819
   51    HA   TYR  11           HA       TYR  11   9.134  -5.285   1.825
   52   1HB   TYR  11          2HB       TYR  11   7.716  -4.325  -0.624
   53   2HB   TYR  11          1HB       TYR  11   6.969  -5.630   0.292
   54    HD1  TYR  11           1HD      TYR  11   5.807  -5.171   2.313
   55    HD2  TYR  11           2HD      TYR  11   8.454  -2.229   0.641
   56    HE1  TYR  11           1HE      TYR  11   5.048  -3.522   4.008
   57    HE2  TYR  11           2HE      TYR  11   7.697  -0.582   2.325
   58    HH   TYR  11           HH       TYR  11   5.287  -0.424   3.791
   59    HA   PRO  12           HA       PRO  12   7.043  -6.586   1.787
   60   1HB   PRO  12          2HB       PRO  12   6.692  -8.955   3.122
   61   2HB   PRO  12          1HB       PRO  12   5.943  -8.592   1.557
   62   1HG   PRO  12          2HG       PRO  12   8.254 -10.381   2.163
   63   2HG   PRO  12          1HG       PRO  12   7.093 -10.459   0.827
   64   1HD   PRO  12          2HD       PRO  12   9.730  -9.452   0.670
   65   2HD   PRO  12          1HD       PRO  12   8.455  -9.228  -0.545
   66    H    LYS  13           H        LYS  13   6.805  -6.749   4.283
   67    HA   LYS  13           HA       LYS  13   9.528  -6.725   5.526
   68   1HB   LYS  13          2HB       LYS  13   7.231  -5.145   6.652
   69   2HB   LYS  13          1HB       LYS  13   8.961  -4.849   6.802
   70   1HG   LYS  13          2HG       LYS  13   7.712  -4.705   4.079
   71   2HG   LYS  13          1HG       LYS  13   7.484  -3.359   5.193
   72   1HD   LYS  13          2HD       LYS  13  10.204  -4.524   4.556
   73   2HD   LYS  13          1HD       LYS  13   9.508  -3.161   3.680
   74   1HE   LYS  13          2HE       LYS  13   9.775  -3.171   6.690
   75   2HE   LYS  13          1HE       LYS  13  11.048  -2.564   5.631
   76   1HZ   LYS  13          1HZ       LYS  13   9.906  -0.656   5.826
   77   2HZ   LYS  13          2HZ       LYS  13   8.453  -1.426   6.254
   78   3HZ   LYS  13          3HZ       LYS  13   8.918  -1.325   4.622
   79    HA   PRO  14           HA       PRO  14   7.938  -9.669   8.376
   80   1HB   PRO  14          2HB       PRO  14   9.585  -9.139  10.514
   81   2HB   PRO  14          1HB       PRO  14  10.114 -10.000   9.057
   82   1HG   PRO  14          2HG       PRO  14  10.709  -7.205   9.903
   83   2HG   PRO  14          1HG       PRO  14  11.646  -8.285   8.859
   84   1HD   PRO  14          2HD       PRO  14   9.986  -6.159   7.990
   85   2HD   PRO  14          1HD       PRO  14  10.671  -7.437   6.963
   86    H    ALA  15           H        ALA  15   7.851  -6.278   9.069
   87    HA   ALA  15           HA       ALA  15   5.397  -6.457  10.526
   88   1HB   ALA  15          1HB       ALA  15   6.984  -7.357  12.268
   89   2HB   ALA  15          2HB       ALA  15   6.116  -5.906  12.769
   90   3HB   ALA  15          3HB       ALA  15   7.800  -5.792  12.252
   91    H    CYS  16           H        CYS  16   4.484  -4.400  10.760
   92    HA   CYS  16           HA       CYS  16   6.236  -2.097  10.018
   93   1HB   CYS  16          2HB       CYS  16   3.834  -1.258   9.089
   94   2HB   CYS  16          1HB       CYS  16   5.005  -2.109   8.085
   95    H    THR  17           H        THR  17   4.374  -0.062  10.379
   96    HA   THR  17           HA       THR  17   3.915  -0.264  13.318
   97    HB   THR  17           HB       THR  17   3.522   2.391  12.354
   98    HG1  THR  17           1HG      THR  17   5.943   2.351  11.658
   99   1HG2  THR  17          1HG2      THR  17   5.931   2.445  13.600
  100   2HG2  THR  17          2HG2      THR  17   5.325   0.888  14.167
  101   3HG2  THR  17          3HG2      THR  17   4.396   2.357  14.467
  102    H    MET  18           H        MET  18   1.985   1.230  14.010
  103    HA   MET  18           HA       MET  18  -0.373   0.282  12.497
  104   1HB   MET  18          2HB       MET  18   0.074   1.497  15.216
  105   2HB   MET  18          1HB       MET  18  -1.541   1.498  14.504
  106   1HG   MET  18          2HG       MET  18  -1.091  -1.032  14.066
  107   2HG   MET  18          1HG       MET  18   0.171  -0.852  15.284
  108   1HE   MET  18          1HE       MET  18  -1.136  -2.298  17.625
  109   2HE   MET  18          2HE       MET  18  -1.137  -0.743  18.450
  110   3HE   MET  18          3HE       MET  18   0.094  -1.088  17.239
  111    H    GLU  19           H        GLU  19   1.542   2.567  11.712
  112    HA   GLU  19           HA       GLU  19   0.380   5.094  11.932
  113   1HB   GLU  19          2HB       GLU  19   2.520   4.646  10.761
  114   2HB   GLU  19          1HB       GLU  19   1.626   3.897   9.438
  115   1HG   GLU  19          2HG       GLU  19   2.133   6.203   8.840
  116   2HG   GLU  19          1HG       GLU  19   0.397   6.048   9.108
  117    H    TYR  20           H        TYR  20  -1.627   5.828  11.401
  118    HA   TYR  20           HA       TYR  20  -3.367   4.156   9.732
  119   1HB   TYR  20          2HB       TYR  20  -3.815   5.933  11.809
  120   2HB   TYR  20          1HB       TYR  20  -4.387   6.807  10.390
  121    HD1  TYR  20           1HD      TYR  20  -5.358   4.679   8.640
  122    HD2  TYR  20           2HD      TYR  20  -5.727   5.105  12.899
  123    HE1  TYR  20           1HE      TYR  20  -7.410   3.287   8.603
  124    HE2  TYR  20           2HE      TYR  20  -7.778   3.712  12.862
  125    HH   TYR  20           HH       TYR  20  -8.645   1.789  10.315
  126    H    ARG  21           H        ARG  21  -2.829   4.266   7.630
  127    HA   ARG  21           HA       ARG  21  -2.946   6.933   6.319
  128   1HB   ARG  21          2HB       ARG  21  -0.553   6.271   6.599
  129   2HB   ARG  21          1HB       ARG  21  -0.884   4.808   5.672
  130   1HG   ARG  21          2HG       ARG  21  -0.132   6.208   3.982
  131   2HG   ARG  21          1HG       ARG  21  -1.866   6.530   3.917
  132   1HD   ARG  21          2HD       ARG  21  -1.510   8.470   5.464
  133   2HD   ARG  21          1HD       ARG  21   0.227   8.189   5.353
  134    HE   ARG  21           HE       ARG  21  -0.337   8.450   2.746
  135   1HH1  ARG  21          1HH1      ARG  21  -2.823   9.718   4.443
  136   2HH1  ARG  21          2HH1      ARG  21  -2.553  11.377   4.023
  137   1HH2  ARG  21          1HH2      ARG  21   0.574  10.796   2.643
  138   2HH2  ARG  21          2HH2      ARG  21  -0.630  11.987   3.010
  139    HA   PRO  22           HA       PRO  22  -5.730   4.169   4.093
  140   1HB   PRO  22          2HB       PRO  22  -7.239   6.213   3.042
  141   2HB   PRO  22          1HB       PRO  22  -7.482   5.547   4.665
  142   1HG   PRO  22          2HG       PRO  22  -6.229   8.133   3.862
  143   2HG   PRO  22          1HG       PRO  22  -7.058   7.707   5.370
  144   1HD   PRO  22          2HD       PRO  22  -4.260   7.865   5.013
  145   2HD   PRO  22          1HD       PRO  22  -5.093   7.105   6.387
  146    H    LEU  23           H        LEU  23  -4.713   3.343   2.295
  147    HA   LEU  23           HA       LEU  23  -3.986   5.260   0.113
  148   1HB   LEU  23          2HB       LEU  23  -2.661   2.734   1.083
  149   2HB   LEU  23          1HB       LEU  23  -2.425   3.290  -0.579
  150    HG   LEU  23           HG       LEU  23  -1.892   4.944   1.911
  151   1HD1  LEU  23          1HD1      LEU  23   0.413   4.483   0.273
  152   2HD1  LEU  23          2HD1      LEU  23  -0.331   2.925   0.633
  153   3HD1  LEU  23          3HD1      LEU  23   0.150   3.998   1.949
  154   1HD2  LEU  23          1HD2      LEU  23  -0.588   6.041  -0.295
  155   2HD2  LEU  23          2HD2      LEU  23  -2.065   6.658   0.444
  156   3HD2  LEU  23          3HD2      LEU  23  -2.160   5.561  -0.933
  157    H    CYS  24           H        CYS  24  -5.304   5.030  -1.658
  158    HA   CYS  24           HA       CYS  24  -6.874   2.535  -1.896
  159   1HB   CYS  24          2HB       CYS  24  -7.060   5.281  -3.024
  160   2HB   CYS  24          1HB       CYS  24  -7.652   3.967  -4.046
  161    H    GLY  25           H        GLY  25  -5.781   0.886  -2.880
  162   1HA   GLY  25          2HA       GLY  25  -3.589   1.355  -4.716
  163   2HA   GLY  25          1HA       GLY  25  -4.305  -0.213  -4.347
  164    H    SER  26           H        SER  26  -3.552   0.779  -6.977
  165    HA   SER  26           HA       SER  26  -5.589   1.799  -8.583
  166   1HB   SER  26          2HB       SER  26  -3.872   1.414 -10.000
  167   2HB   SER  26          1HB       SER  26  -3.212   0.155  -8.963
  168    HG   SER  26           HG       SER  26  -3.980  -1.205 -10.349
  169    H    ASP  27           H        ASP  27  -5.587  -1.214  -6.894
  170    HA   ASP  27           HA       ASP  27  -7.565  -2.497  -8.630
  171   1HB   ASP  27          2HB       ASP  27  -7.564  -4.273  -6.962
  172   2HB   ASP  27          1HB       ASP  27  -5.898  -3.785  -7.278
  173    H    ASN  28           H        ASN  28  -8.064   0.175  -7.139
  174    HA   ASN  28           HA       ASN  28  -9.876   1.213  -6.082
  175   1HB   ASN  28          2HB       ASN  28 -10.899  -0.726  -7.885
  176   2HB   ASN  28          1HB       ASN  28 -11.860  -0.848  -6.410
  177   1HD2  ASN  28          1HD2      ASN  28 -13.671   0.145  -7.695
  178   2HD2  ASN  28          2HD2      ASN  28 -13.694   1.827  -7.930
  179    H    LYS  29           H        LYS  29  -8.158  -0.322  -4.405
  180    HA   LYS  29           HA       LYS  29 -10.169  -1.336  -2.424
  181   1HB   LYS  29          2HB       LYS  29  -8.140  -2.813  -3.621
  182   2HB   LYS  29          1HB       LYS  29  -7.470  -2.379  -2.049
  183   1HG   LYS  29          2HG       LYS  29  -9.989  -3.068  -1.315
  184   2HG   LYS  29          1HG       LYS  29  -9.771  -4.131  -2.705
  185   1HD   LYS  29          2HD       LYS  29  -7.357  -4.379  -1.395
  186   2HD   LYS  29          1HD       LYS  29  -8.500  -4.235  -0.060
  187   1HE   LYS  29          2HE       LYS  29  -8.871  -6.142  -2.383
  188   2HE   LYS  29          1HE       LYS  29  -8.137  -6.604  -0.847
  189   1HZ   LYS  29          1HZ       LYS  29 -10.842  -6.474  -1.468
  190   2HZ   LYS  29          2HZ       LYS  29 -10.539  -5.221  -0.361
  191   3HZ   LYS  29          3HZ       LYS  29 -10.140  -6.826   0.034
  192    H    THR  30           H        THR  30  -9.733  -0.855  -0.212
  193    HA   THR  30           HA       THR  30  -8.073   1.569   0.144
  194    HB   THR  30           HB       THR  30  -9.862   0.189   2.165
  195    HG1  THR  30           1HG      THR  30 -10.775   1.014   0.059
  196   1HG2  THR  30          1HG2      THR  30  -8.445   1.704   3.293
  197   2HG2  THR  30          2HG2      THR  30  -9.918   2.631   3.005
  198   3HG2  THR  30          3HG2      THR  30  -8.506   2.874   1.974
  199    H    TYR  31           H        TYR  31  -6.245   1.614   1.484
  200    HA   TYR  31           HA       TYR  31  -5.355  -1.038   2.526
  201   1HB   TYR  31          2HB       TYR  31  -3.916   1.196   1.145
  202   2HB   TYR  31          1HB       TYR  31  -3.036   0.183   2.287
  203    HD1  TYR  31           1HD      TYR  31  -4.315   0.440  -1.049
  204    HD2  TYR  31           2HD      TYR  31  -3.226  -2.381   2.001
  205    HE1  TYR  31           1HE      TYR  31  -4.174  -1.352  -2.757
  206    HE2  TYR  31           2HE      TYR  31  -3.081  -4.173   0.292
  207    HH   TYR  31           HH       TYR  31  -4.385  -4.346  -2.287
  208    H    GLY  32           H        GLY  32  -4.070  -0.973   4.503
  209   1HA   GLY  32          2HA       GLY  32  -5.118   0.994   6.400
  210   2HA   GLY  32          1HA       GLY  32  -4.054  -0.358   6.792
  211    H    ASN  33           H        ASN  33  -2.209   0.504   4.554
  212    HA   ASN  33           HA       ASN  33  -1.238   3.115   4.933
  213   1HB   ASN  33          2HB       ASN  33   0.688   2.686   6.473
  214   2HB   ASN  33          1HB       ASN  33  -0.874   2.554   7.279
  215   1HD2  ASN  33          1HD2      ASN  33   1.177   1.230   8.526
  216   2HD2  ASN  33          2HD2      ASN  33   1.060  -0.446   8.281
  217    H    LYS  34           H        LYS  34   1.428   2.918   4.659
  218    HA   LYS  34           HA       LYS  34   1.759   1.804   2.036
  219   1HB   LYS  34          2HB       LYS  34   4.049   2.524   2.205
  220   2HB   LYS  34          1HB       LYS  34   3.065   3.737   3.021
  221   1HG   LYS  34          2HG       LYS  34   3.524   2.527   5.191
  222   2HG   LYS  34          1HG       LYS  34   4.681   1.526   4.312
  223   1HD   LYS  34          2HD       LYS  34   4.785   4.553   4.449
  224   2HD   LYS  34          1HD       LYS  34   5.763   3.470   5.441
  225   1HE   LYS  34          2HE       LYS  34   6.763   2.498   3.410
  226   2HE   LYS  34          1HE       LYS  34   5.776   3.563   2.409
  227   1HZ   LYS  34          1HZ       LYS  34   7.256   5.170   2.669
  228   2HZ   LYS  34          2HZ       LYS  34   8.250   4.110   3.552
  229   3HZ   LYS  34          3HZ       LYS  34   7.117   5.088   4.359
  230    H    CYS  35           H        CYS  35   1.747   0.323   5.071
  231    HA   CYS  35           HA       CYS  35   3.737  -1.743   4.474
  232   1HB   CYS  35          2HB       CYS  35   3.370  -1.187   6.800
  233   2HB   CYS  35          1HB       CYS  35   1.635  -1.458   6.642
  234    H    ASN  36           H        ASN  36   0.180  -1.696   4.850
  235    HA   ASN  36           HA       ASN  36  -0.171  -4.323   3.751
  236   1HB   ASN  36          2HB       ASN  36  -2.300  -2.207   3.788
  237   2HB   ASN  36          1HB       ASN  36  -2.412  -3.913   4.148
  238   1HD2  ASN  36          1HD2      ASN  36  -0.131  -4.030   5.974
  239   2HD2  ASN  36          2HD2      ASN  36  -0.591  -3.206   7.386
  240    H    PHE  37           H        PHE  37   0.567  -1.316   2.393
  241    HA   PHE  37           HA       PHE  37  -0.832  -1.800  -0.161
  242   1HB   PHE  37          2HB       PHE  37  -0.595   0.497   0.874
  243   2HB   PHE  37          1HB       PHE  37   1.136   0.391   0.561
  244    HD1  PHE  37           1HD      PHE  37   1.603   1.882  -1.177
  245    HD2  PHE  37           2HD      PHE  37  -1.790  -0.732  -1.492
  246    HE1  PHE  37           1HE      PHE  37   1.230   2.650  -3.504
  247    HE2  PHE  37           2HE      PHE  37  -2.164   0.037  -3.823
  248    HZ   PHE  37           HZ       PHE  37  -0.651   1.728  -4.820
  249    H    CYS  38           H        CYS  38   2.496  -1.635   1.094
  250    HA   CYS  38           HA       CYS  38   3.676  -2.333  -1.471
  251   1HB   CYS  38          2HB       CYS  38   4.840  -2.423   1.326
  252   2HB   CYS  38          1HB       CYS  38   5.766  -2.563  -0.166
  253    H    ASN  39           H        ASN  39   2.562  -4.088   1.365
  254    HA   ASN  39           HA       ASN  39   3.803  -6.601   0.567
  255   1HB   ASN  39          2HB       ASN  39   2.290  -5.611   2.821
  256   2HB   ASN  39          1HB       ASN  39   1.601  -7.136   2.258
  257   1HD2  ASN  39          1HD2      ASN  39   3.311  -8.937   1.866
  258   2HD2  ASN  39          2HD2      ASN  39   4.609  -9.013   2.957
  259    H    ALA  40           H        ALA  40   0.537  -5.217   0.386
  260    HA   ALA  40           HA       ALA  40  -0.715  -7.460  -0.851
  261   1HB   ALA  40          1HB       ALA  40  -1.261  -4.532  -0.688
  262   2HB   ALA  40          2HB       ALA  40  -2.322  -5.892  -0.317
  263   3HB   ALA  40          3HB       ALA  40  -2.055  -5.413  -1.994
  264    H    VAL  41           H        VAL  41   1.470  -5.022  -1.971
  265    HA   VAL  41           HA       VAL  41   1.062  -5.548  -4.819
  266    HB   VAL  41           HB       VAL  41   3.165  -4.039  -3.248
  267   1HG1  VAL  41          1HG1      VAL  41   3.152  -4.957  -6.060
  268   2HG1  VAL  41          2HG1      VAL  41   4.504  -4.457  -5.046
  269   3HG1  VAL  41          3HG1      VAL  41   3.500  -3.242  -5.840
  270   1HG2  VAL  41          1HG2      VAL  41   1.980  -2.144  -3.811
  271   2HG2  VAL  41          2HG2      VAL  41   0.644  -3.296  -3.825
  272   3HG2  VAL  41          3HG2      VAL  41   1.417  -2.822  -5.338
  273    H    VAL  42           H        VAL  42   3.203  -6.687  -2.257
  274    HA   VAL  42           HA       VAL  42   5.019  -8.072  -4.062
  275    HB   VAL  42           HB       VAL  42   4.529  -8.545  -1.108
  276   1HG1  VAL  42          1HG1      VAL  42   7.207  -8.940  -2.255
  277   2HG1  VAL  42          2HG1      VAL  42   5.995 -10.047  -2.895
  278   3HG1  VAL  42          3HG1      VAL  42   6.290  -9.972  -1.159
  279   1HG2  VAL  42          1HG2      VAL  42   5.736  -6.682  -0.649
  280   2HG2  VAL  42          2HG2      VAL  42   5.407  -6.206  -2.315
  281   3HG2  VAL  42          3HG2      VAL  42   6.911  -7.036  -1.916
  282    H    GLU  43           H        GLU  43   1.978  -8.851  -2.532
  283    HA   GLU  43           HA       GLU  43   2.271 -11.730  -3.079
  284   1HB   GLU  43          2HB       GLU  43  -0.016 -11.887  -2.147
  285   2HB   GLU  43          1HB       GLU  43   1.057 -10.999  -1.064
  286   1HG   GLU  43          2HG       GLU  43   0.201  -8.866  -1.924
  287   2HG   GLU  43          1HG       GLU  43  -0.839  -9.726  -3.060
  288    H    SER  44           H        SER  44   1.055  -8.905  -4.657
  289    HA   SER  44           HA       SER  44  -0.669 -10.461  -6.483
  290   1HB   SER  44          2HB       SER  44  -0.194  -7.590  -5.905
  291   2HB   SER  44          1HB       SER  44  -0.588  -7.977  -7.577
  292    HG   SER  44           HG       SER  44  -2.556  -7.963  -6.803
  293    H    ASN  45           H        ASN  45   2.509 -10.335  -6.232
  294    HA   ASN  45           HA       ASN  45   4.179 -10.901  -7.798
  295   1HB   ASN  45          2HB       ASN  45   2.147 -11.868  -9.090
  296   2HB   ASN  45          1HB       ASN  45   2.218 -10.374 -10.029
  297   1HD2  ASN  45          1HD2      ASN  45   2.774 -12.095 -11.803
  298   2HD2  ASN  45          2HD2      ASN  45   4.415 -12.482 -11.991
  299    H    GLY  46           H        GLY  46   2.623  -8.012  -7.408
  300   1HA   GLY  46          2HA       GLY  46   3.832  -5.915  -7.572
  301   2HA   GLY  46          1HA       GLY  46   4.777  -6.599  -8.895
  302    H    THR  47           H        THR  47   1.520  -7.404  -9.254
  303    HA   THR  47           HA       THR  47   1.273  -5.474 -11.471
  304    HB   THR  47           HB       THR  47  -1.083  -6.819 -11.486
  305    HG1  THR  47           1HG      THR  47  -0.929  -8.310 -10.019
  306   1HG2  THR  47          1HG2      THR  47  -0.210  -7.618 -13.407
  307   2HG2  THR  47          2HG2      THR  47   1.055  -8.499 -12.549
  308   3HG2  THR  47          3HG2      THR  47   1.281  -6.796 -12.950
  309    H    LEU  48           H        LEU  48   0.940  -4.991  -8.358
  310    HA   LEU  48           HA       LEU  48  -1.719  -3.635  -8.524
  311   1HB   LEU  48          2HB       LEU  48  -1.027  -5.331  -6.630
  312   2HB   LEU  48          1HB       LEU  48  -0.158  -3.942  -5.977
  313    HG   LEU  48           HG       LEU  48  -2.327  -2.629  -6.212
  314   1HD1  LEU  48          1HD1      LEU  48  -4.317  -4.387  -6.066
  315   2HD1  LEU  48          2HD1      LEU  48  -3.201  -5.381  -7.003
  316   3HD1  LEU  48          3HD1      LEU  48  -3.725  -3.816  -7.627
  317   1HD2  LEU  48          1HD2      LEU  48  -3.278  -4.462  -4.299
  318   2HD2  LEU  48          2HD2      LEU  48  -2.271  -3.046  -3.996
  319   3HD2  LEU  48          3HD2      LEU  48  -1.520  -4.620  -4.261
  320    H    THR  49           H        THR  49  -1.852  -1.405  -8.025
  321    HA   THR  49           HA       THR  49   0.727   0.007  -7.546
  322    HB   THR  49           HB       THR  49   0.482   1.447  -9.366
  323    HG1  THR  49           1HG      THR  49  -1.599   1.452 -10.520
  324   1HG2  THR  49          1HG2      THR  49   0.611   0.014 -11.142
  325   2HG2  THR  49          2HG2      THR  49  -0.911  -0.780 -10.744
  326   3HG2  THR  49          3HG2      THR  49   0.560  -1.205  -9.871
  327    H    LEU  50           H        LEU  50  -0.536   2.572  -7.936
  328    HA   LEU  50           HA       LEU  50  -2.429   2.655  -5.620
  329   1HB   LEU  50          2HB       LEU  50  -0.358   3.528  -4.782
  330   2HB   LEU  50          1HB       LEU  50  -0.067   4.443  -6.259
  331    HG   LEU  50           HG       LEU  50  -2.610   5.245  -5.241
  332   1HD1  LEU  50          1HD1      LEU  50  -1.952   6.115  -3.034
  333   2HD1  LEU  50          2HD1      LEU  50  -0.372   5.349  -3.193
  334   3HD1  LEU  50          3HD1      LEU  50  -1.825   4.358  -3.065
  335   1HD2  LEU  50          1HD2      LEU  50  -0.802   6.487  -6.595
  336   2HD2  LEU  50          2HD2      LEU  50  -0.009   6.776  -5.047
  337   3HD2  LEU  50          3HD2      LEU  50  -1.628   7.411  -5.341
  338    H    SER  51           H        SER  51  -4.352   3.516  -6.283
  339    HA   SER  51           HA       SER  51  -4.492   4.974  -8.831
  340   1HB   SER  51          2HB       SER  51  -7.030   5.015  -7.734
  341   2HB   SER  51          1HB       SER  51  -6.420   3.792  -8.847
  342    HG   SER  51           HG       SER  51  -6.672   3.736  -6.051
  343    H    HIS  52           H        HIS  52  -4.593   5.679  -5.397
  344    HA   HIS  52           HA       HIS  52  -4.184   8.450  -5.762
  345   1HB   HIS  52          2HB       HIS  52  -6.367   9.391  -5.225
  346   2HB   HIS  52          1HB       HIS  52  -6.505   8.392  -6.669
  347    HD1  HIS  52           1HD      HIS  52  -7.544   8.582  -3.088
  348    HD2  HIS  52           2HD      HIS  52  -7.934   5.934  -6.282
  349    HE1  HIS  52           1HE      HIS  52  -9.310   6.900  -2.410
  350    H    PHE  53           H        PHE  53  -2.963   8.611  -3.991
  351    HA   PHE  53           HA       PHE  53  -2.984   7.166  -1.630
  352   1HB   PHE  53          2HB       PHE  53  -2.005   9.790  -2.469
  353   2HB   PHE  53          1HB       PHE  53  -2.427   9.755  -0.758
  354    HD1  PHE  53           1HD      PHE  53  -0.731   7.551  -3.285
  355    HD2  PHE  53           2HD      PHE  53  -0.765   9.087   0.725
  356    HE1  PHE  53           1HE      PHE  53   1.365   6.318  -2.797
  357    HE2  PHE  53           2HE      PHE  53   1.331   7.857   1.215
  358    HZ   PHE  53           HZ       PHE  53   2.398   6.473  -0.545
  359    H    GLY  54           H        GLY  54  -4.920   6.688  -0.604
  360   1HA   GLY  54          2HA       GLY  54  -6.150   8.176   1.281
  361   2HA   GLY  54          1HA       GLY  54  -6.915   8.816  -0.174
  362    H    LYS  55           H        LYS  55  -8.343   7.409   1.866
  363    HA   LYS  55           HA       LYS  55  -8.731   4.644   1.081
  364   1HB   LYS  55          2HB       LYS  55 -10.516   4.622   2.677
  365   2HB   LYS  55          1HB       LYS  55  -9.291   5.693   3.357
  366   1HG   LYS  55          2HG       LYS  55 -10.507   7.651   2.483
  367   2HG   LYS  55          1HG       LYS  55 -11.731   6.584   1.791
  368   1HD   LYS  55          2HD       LYS  55 -11.231   6.055   4.632
  369   2HD   LYS  55          1HD       LYS  55 -11.822   7.689   4.330
  370   1HE   LYS  55          2HE       LYS  55 -13.732   6.804   3.088
  371   2HE   LYS  55          1HE       LYS  55 -13.123   5.161   3.277
  372   1HZ   LYS  55          1HZ       LYS  55 -14.325   5.105   5.131
  373   2HZ   LYS  55          2HZ       LYS  55 -14.585   6.785   5.127
  374   3HZ   LYS  55          3HZ       LYS  55 -13.171   6.143   5.816
  375    H    CYS  56           H        CYS  56 -10.770   3.823   0.123
  376    HA   CYS  56           HA       CYS  56 -11.629   5.625  -2.063
  377   1HB   CYS  56          2HB       CYS  56 -11.835   2.642  -1.619
  378   2HB   CYS  56          1HB       CYS  56 -12.715   3.452  -2.915
  Start of MODEL    6
    1   1H    ALA   3          1HT       ALA   3   6.162  11.245  -8.932
    2   2H    ALA   3          2HT       ALA   3   7.812  11.132  -9.315
    3   3H    ALA   3          3HT       ALA   3   7.318  11.238  -7.693
    4    HA   ALA   3           HA       ALA   3   6.978   8.965  -9.558
    5   1HB   ALA   3          1HB       ALA   3   7.948   8.666  -6.770
    6   2HB   ALA   3          2HB       ALA   3   9.019   9.541  -7.866
    7   3HB   ALA   3          3HB       ALA   3   8.518   7.894  -8.249
    8    H    VAL   4           H        VAL   4   5.082   7.879  -9.357
    9    HA   VAL   4           HA       VAL   4   3.418   8.410  -6.942
   10    HB   VAL   4           HB       VAL   4   2.439   8.811  -9.230
   11   1HG1  VAL   4          1HG1      VAL   4   3.652   6.383  -9.815
   12   2HG1  VAL   4          2HG1      VAL   4   2.468   7.210 -10.828
   13   3HG1  VAL   4          3HG1      VAL   4   1.941   5.964  -9.695
   14   1HG2  VAL   4          1HG2      VAL   4   0.674   8.528  -7.802
   15   2HG2  VAL   4          2HG2      VAL   4   1.337   7.043  -7.120
   16   3HG2  VAL   4          3HG2      VAL   4   0.482   7.000  -8.662
   17    H    SER   5           H        SER   5   5.659   6.627  -6.742
   18    HA   SER   5           HA       SER   5   4.240   4.240  -5.792
   19   1HB   SER   5          2HB       SER   5   5.034   2.699  -7.285
   20   2HB   SER   5          1HB       SER   5   5.099   4.092  -8.362
   21    HG   SER   5           HG       SER   5   7.249   4.297  -7.959
   22    H    VAL   6           H        VAL   6   5.468   3.129  -4.202
   23    HA   VAL   6           HA       VAL   6   7.886   4.615  -3.308
   24    HB   VAL   6           HB       VAL   6   5.817   4.095  -1.800
   25   1HG1  VAL   6          1HG1      VAL   6   5.669   1.704  -2.311
   26   2HG1  VAL   6          2HG1      VAL   6   6.023   1.937  -0.599
   27   3HG1  VAL   6          3HG1      VAL   6   7.308   1.460  -1.709
   28   1HG2  VAL   6          1HG2      VAL   6   8.311   3.188  -0.461
   29   2HG2  VAL   6          2HG2      VAL   6   7.190   4.468   0.001
   30   3HG2  VAL   6          3HG2      VAL   6   8.378   4.753  -1.269
   31    H    ASP   7           H        ASP   7   9.542   3.105  -2.173
   32    HA   ASP   7           HA       ASP   7  10.199   0.952  -4.103
   33   1HB   ASP   7          2HB       ASP   7  11.914   2.684  -3.480
   34   2HB   ASP   7          1HB       ASP   7  11.879   2.059  -1.832
   35    H    CYS   8           H        CYS   8   8.566  -0.529  -3.286
   36    HA   CYS   8           HA       CYS   8   8.675  -1.422  -0.498
   37   1HB   CYS   8          2HB       CYS   8   7.267  -2.659  -2.881
   38   2HB   CYS   8          1HB       CYS   8   6.977  -3.046  -1.186
   39    H    SER   9           H        SER   9  11.233  -1.733  -1.808
   40    HA   SER   9           HA       SER   9  11.478  -4.555  -2.559
   41   1HB   SER   9          2HB       SER   9  13.073  -3.330  -3.704
   42   2HB   SER   9          1HB       SER   9  13.318  -2.205  -2.371
   43    HG   SER   9           HG       SER   9  15.076  -3.662  -2.640
   44    H    GLU  10           H        GLU  10  11.191  -2.927   0.347
   45    HA   GLU  10           HA       GLU  10  12.978  -4.783   1.829
   46   1HB   GLU  10          2HB       GLU  10  11.252  -2.676   3.109
   47   2HB   GLU  10          1HB       GLU  10  12.808  -3.312   3.647
   48   1HG   GLU  10          2HG       GLU  10  13.873  -2.248   1.640
   49   2HG   GLU  10          1HG       GLU  10  12.317  -1.506   1.261
   50    H    TYR  11           H        TYR  11  10.167  -5.224   0.489
   51    HA   TYR  11           HA       TYR  11   8.790  -6.342   2.891
   52   1HB   TYR  11          2HB       TYR  11   7.855  -5.451   0.165
   53   2HB   TYR  11          1HB       TYR  11   6.865  -6.541   1.135
   54    HD1  TYR  11           1HD      TYR  11   5.467  -5.674   2.824
   55    HD2  TYR  11           2HD      TYR  11   8.713  -3.291   1.325
   56    HE1  TYR  11           1HE      TYR  11   4.676  -3.745   4.173
   57    HE2  TYR  11           2HE      TYR  11   7.921  -1.365   2.669
   58    HH   TYR  11           HH       TYR  11   6.045  -1.517   5.171
   59    HA   PRO  12           HA       PRO  12   6.734  -7.620   2.571
   60   1HB   PRO  12          2HB       PRO  12   6.231  -9.969   3.900
   61   2HB   PRO  12          1HB       PRO  12   5.673  -9.637   2.252
   62   1HG   PRO  12          2HG       PRO  12   7.913 -11.390   3.161
   63   2HG   PRO  12          1HG       PRO  12   6.906 -11.519   1.710
   64   1HD   PRO  12          2HD       PRO  12   9.533 -10.498   1.790
   65   2HD   PRO  12          1HD       PRO  12   8.377 -10.279   0.459
   66    H    LYS  13           H        LYS  13   6.291  -7.337   4.900
   67    HA   LYS  13           HA       LYS  13   8.795  -7.456   6.523
   68   1HB   LYS  13          2HB       LYS  13   6.408  -5.779   7.254
   69   2HB   LYS  13          1HB       LYS  13   8.109  -5.509   7.629
   70   1HG   LYS  13          2HG       LYS  13   7.130  -5.451   4.777
   71   2HG   LYS  13          1HG       LYS  13   7.018  -4.024   5.803
   72   1HD   LYS  13          2HD       LYS  13   9.621  -5.510   5.619
   73   2HD   LYS  13          1HD       LYS  13   9.164  -4.390   4.337
   74   1HE   LYS  13          2HE       LYS  13   9.306  -2.540   5.706
   75   2HE   LYS  13          1HE       LYS  13   8.882  -3.449   7.157
   76   1HZ   LYS  13          1HZ       LYS  13  11.290  -2.668   6.862
   77   2HZ   LYS  13          2HZ       LYS  13  11.428  -3.950   5.755
   78   3HZ   LYS  13          3HZ       LYS  13  11.021  -4.263   7.374
   79    HA   PRO  14           HA       PRO  14   6.811 -10.155   9.367
   80   1HB   PRO  14          2HB       PRO  14   7.944  -9.328  11.728
   81   2HB   PRO  14          1HB       PRO  14   8.816 -10.256  10.495
   82   1HG   PRO  14          2HG       PRO  14   9.052  -7.367  11.182
   83   2HG   PRO  14          1HG       PRO  14  10.247  -8.446  10.443
   84   1HD   PRO  14          2HD       PRO  14   8.657  -6.530   9.082
   85   2HD   PRO  14          1HD       PRO  14   9.635  -7.808   8.330
   86    H    ALA  15           H        ALA  15   5.741  -7.116   9.070
   87    HA   ALA  15           HA       ALA  15   3.353  -7.398  10.482
   88   1HB   ALA  15          1HB       ALA  15   4.354  -7.466  12.602
   89   2HB   ALA  15          2HB       ALA  15   3.933  -5.762  12.437
   90   3HB   ALA  15          3HB       ALA  15   5.592  -6.291  12.160
   91    H    CYS  16           H        CYS  16   2.665  -4.903  11.288
   92    HA   CYS  16           HA       CYS  16   3.577  -3.069   9.117
   93   1HB   CYS  16          2HB       CYS  16   0.741  -3.811   9.858
   94   2HB   CYS  16          1HB       CYS  16   1.119  -2.315   9.005
   95    H    THR  17           H        THR  17   3.228  -0.791   9.627
   96    HA   THR  17           HA       THR  17   3.617  -0.238  12.471
   97    HB   THR  17           HB       THR  17   3.331   2.219  11.316
   98    HG1  THR  17           1HG      THR  17   3.936   2.122   9.238
   99   1HG2  THR  17          1HG2      THR  17   5.683   2.331  11.384
  100   2HG2  THR  17          2HG2      THR  17   5.866   0.632  10.945
  101   3HG2  THR  17          3HG2      THR  17   5.295   1.071  12.554
  102    H    MET  18           H        MET  18   2.265   1.550  13.514
  103    HA   MET  18           HA       MET  18  -0.595   0.942  13.012
  104   1HB   MET  18          2HB       MET  18   0.679   2.516  15.270
  105   2HB   MET  18          1HB       MET  18  -0.995   1.961  15.193
  106   1HG   MET  18          2HG       MET  18  -0.334   0.052  16.184
  107   2HG   MET  18          1HG       MET  18   0.574  -0.327  14.721
  108   1HE   MET  18          1HE       MET  18   1.748  -1.638  17.252
  109   2HE   MET  18          2HE       MET  18   0.670  -0.520  18.084
  110   3HE   MET  18          3HE       MET  18   2.384  -0.546  18.490
  111    H    GLU  19           H        GLU  19   1.291   2.868  11.466
  112    HA   GLU  19           HA       GLU  19   0.230   5.521  11.937
  113   1HB   GLU  19          2HB       GLU  19   2.351   5.386  10.841
  114   2HB   GLU  19          1HB       GLU  19   1.730   4.266   9.627
  115   1HG   GLU  19          2HG       GLU  19   0.674   5.925   8.430
  116   2HG   GLU  19          1HG       GLU  19   0.378   6.914   9.861
  117    H    TYR  20           H        TYR  20  -1.498   6.545  10.905
  118    HA   TYR  20           HA       TYR  20  -3.400   4.742   9.541
  119   1HB   TYR  20          2HB       TYR  20  -3.858   6.657  11.355
  120   2HB   TYR  20          1HB       TYR  20  -3.989   7.636   9.895
  121    HD1  TYR  20           1HD      TYR  20  -5.227   6.112   7.898
  122    HD2  TYR  20           2HD      TYR  20  -5.937   5.942  12.132
  123    HE1  TYR  20           1HE      TYR  20  -7.495   5.202   7.480
  124    HE2  TYR  20           2HE      TYR  20  -8.207   5.033  11.714
  125    HH   TYR  20           HH       TYR  20  -9.274   4.187   8.450
  126    H    ARG  21           H        ARG  21  -3.205   4.535   7.392
  127    HA   ARG  21           HA       ARG  21  -2.879   6.965   5.736
  128   1HB   ARG  21          2HB       ARG  21  -0.858   4.833   6.059
  129   2HB   ARG  21          1HB       ARG  21  -1.233   5.253   4.386
  130   1HG   ARG  21          2HG       ARG  21  -0.832   7.501   6.305
  131   2HG   ARG  21          1HG       ARG  21   0.598   6.604   5.798
  132   1HD   ARG  21          2HD       ARG  21  -1.346   7.439   3.688
  133   2HD   ARG  21          1HD       ARG  21  -0.300   8.676   4.383
  134    HE   ARG  21           HE       ARG  21   0.574   6.926   2.415
  135   1HH1  ARG  21          1HH1      ARG  21   2.260   8.945   4.035
  136   2HH1  ARG  21          2HH1      ARG  21   3.525   7.908   4.604
  137   1HH2  ARG  21          1HH2      ARG  21   1.820   4.979   3.877
  138   2HH2  ARG  21          2HH2      ARG  21   3.274   5.666   4.520
  139    HA   PRO  22           HA       PRO  22  -5.986   4.228   3.898
  140   1HB   PRO  22          2HB       PRO  22  -7.438   6.299   2.815
  141   2HB   PRO  22          1HB       PRO  22  -7.641   5.725   4.480
  142   1HG   PRO  22          2HG       PRO  22  -6.293   8.200   3.499
  143   2HG   PRO  22          1HG       PRO  22  -7.075   7.889   5.058
  144   1HD   PRO  22          2HD       PRO  22  -4.290   7.882   4.585
  145   2HD   PRO  22          1HD       PRO  22  -5.102   7.226   6.023
  146    H    LEU  23           H        LEU  23  -4.828   3.312   2.186
  147    HA   LEU  23           HA       LEU  23  -4.196   5.101  -0.128
  148   1HB   LEU  23          2HB       LEU  23  -2.945   2.483   0.756
  149   2HB   LEU  23          1HB       LEU  23  -2.546   3.308  -0.751
  150    HG   LEU  23           HG       LEU  23  -2.244   4.462   2.039
  151   1HD1  LEU  23          1HD1      LEU  23  -0.590   2.680   1.329
  152   2HD1  LEU  23          2HD1      LEU  23   0.128   4.251   1.685
  153   3HD1  LEU  23          3HD1      LEU  23  -0.109   3.747   0.012
  154   1HD2  LEU  23          1HD2      LEU  23  -2.072   5.602  -0.714
  155   2HD2  LEU  23          2HD2      LEU  23  -0.860   6.130   0.452
  156   3HD2  LEU  23          3HD2      LEU  23  -2.573   6.373   0.791
  157    H    CYS  24           H        CYS  24  -5.565   4.837  -1.825
  158    HA   CYS  24           HA       CYS  24  -7.226   2.398  -1.978
  159   1HB   CYS  24          2HB       CYS  24  -8.076   4.787  -2.406
  160   2HB   CYS  24          1HB       CYS  24  -7.207   4.696  -3.938
  161    H    GLY  25           H        GLY  25  -5.784   0.757  -2.681
  162   1HA   GLY  25          2HA       GLY  25  -3.788   1.022  -4.661
  163   2HA   GLY  25          1HA       GLY  25  -4.631  -0.486  -4.311
  164    H    SER  26           H        SER  26  -3.810   0.557  -6.946
  165    HA   SER  26           HA       SER  26  -5.873   1.721  -8.454
  166   1HB   SER  26          2HB       SER  26  -3.458   0.378  -9.000
  167   2HB   SER  26          1HB       SER  26  -4.690  -0.449  -9.946
  168    HG   SER  26           HG       SER  26  -5.108   1.371 -11.023
  169    H    ASP  27           H        ASP  27  -5.908  -1.351  -6.894
  170    HA   ASP  27           HA       ASP  27  -7.872  -2.563  -8.681
  171   1HB   ASP  27          2HB       ASP  27  -7.883  -4.395  -7.151
  172   2HB   ASP  27          1HB       ASP  27  -6.215  -3.824  -7.204
  173    H    ASN  28           H        ASN  28  -8.327   0.093  -7.058
  174    HA   ASN  28           HA       ASN  28 -10.202   1.151  -6.146
  175   1HB   ASN  28          2HB       ASN  28 -11.188  -0.669  -7.981
  176   2HB   ASN  28          1HB       ASN  28 -12.050  -1.103  -6.504
  177   1HD2  ASN  28          1HD2      ASN  28 -11.993   1.651  -5.396
  178   2HD2  ASN  28          2HD2      ASN  28 -13.091   2.556  -6.321
  179    H    LYS  29           H        LYS  29  -8.480  -0.324  -4.407
  180    HA   LYS  29           HA       LYS  29 -10.488  -1.182  -2.367
  181   1HB   LYS  29          2HB       LYS  29  -9.315  -3.158  -3.281
  182   2HB   LYS  29          1HB       LYS  29  -7.769  -2.434  -2.833
  183   1HG   LYS  29          2HG       LYS  29  -7.983  -3.137  -0.706
  184   2HG   LYS  29          1HG       LYS  29  -9.583  -2.405  -0.576
  185   1HD   LYS  29          2HD       LYS  29 -10.672  -4.357  -1.090
  186   2HD   LYS  29          1HD       LYS  29  -9.397  -4.902  -2.181
  187   1HE   LYS  29          2HE       LYS  29  -7.982  -5.521  -0.310
  188   2HE   LYS  29          1HE       LYS  29  -9.126  -4.825   0.838
  189   1HZ   LYS  29          1HZ       LYS  29  -9.403  -7.203   0.722
  190   2HZ   LYS  29          2HZ       LYS  29  -9.628  -7.135  -0.961
  191   3HZ   LYS  29          3HZ       LYS  29 -10.777  -6.443   0.080
  192    H    THR  30           H        THR  30 -10.140  -0.430  -0.289
  193    HA   THR  30           HA       THR  30  -8.159   1.729  -0.021
  194    HB   THR  30           HB       THR  30 -10.222   0.654   1.929
  195    HG1  THR  30           1HG      THR  30 -10.885   1.755  -0.082
  196   1HG2  THR  30          1HG2      THR  30  -8.003   2.052   2.608
  197   2HG2  THR  30          2HG2      THR  30  -9.546   2.221   3.446
  198   3HG2  THR  30          3HG2      THR  30  -9.089   3.381   2.197
  199    H    TYR  31           H        TYR  31  -6.383   1.669   1.401
  200    HA   TYR  31           HA       TYR  31  -5.741  -1.007   2.538
  201   1HB   TYR  31          2HB       TYR  31  -3.901   1.141   1.479
  202   2HB   TYR  31          1HB       TYR  31  -3.394  -0.392   2.163
  203    HD1  TYR  31           1HD      TYR  31  -5.864  -1.928   0.958
  204    HD2  TYR  31           2HD      TYR  31  -2.879   0.675  -0.702
  205    HE1  TYR  31           1HE      TYR  31  -6.156  -3.003  -1.254
  206    HE2  TYR  31           2HE      TYR  31  -3.171  -0.406  -2.914
  207    HH   TYR  31           HH       TYR  31  -4.020  -2.294  -3.939
  208    H    GLY  32           H        GLY  32  -4.347  -0.920   4.461
  209   1HA   GLY  32          2HA       GLY  32  -5.356   1.062   6.352
  210   2HA   GLY  32          1HA       GLY  32  -4.260  -0.267   6.732
  211    H    ASN  33           H        ASN  33  -2.454   0.574   4.463
  212    HA   ASN  33           HA       ASN  33  -1.517   3.209   4.743
  213   1HB   ASN  33          2HB       ASN  33   0.366   2.927   6.340
  214   2HB   ASN  33          1HB       ASN  33  -1.198   2.753   7.125
  215   1HD2  ASN  33          1HD2      ASN  33   0.513   1.527   8.655
  216   2HD2  ASN  33          2HD2      ASN  33   0.633  -0.144   8.383
  217    H    LYS  34           H        LYS  34   1.184   2.985   4.666
  218    HA   LYS  34           HA       LYS  34   1.678   1.912   2.061
  219   1HB   LYS  34          2HB       LYS  34   2.971   3.790   2.848
  220   2HB   LYS  34          1HB       LYS  34   3.548   2.874   4.239
  221   1HG   LYS  34          2HG       LYS  34   4.843   1.410   2.848
  222   2HG   LYS  34          1HG       LYS  34   4.091   2.037   1.382
  223   1HD   LYS  34          2HD       LYS  34   6.316   3.024   1.654
  224   2HD   LYS  34          1HD       LYS  34   5.082   4.268   1.855
  225   1HE   LYS  34          2HE       LYS  34   6.797   4.452   3.615
  226   2HE   LYS  34          1HE       LYS  34   5.234   4.021   4.309
  227   1HZ   LYS  34          1HZ       LYS  34   5.905   1.727   4.384
  228   2HZ   LYS  34          2HZ       LYS  34   7.064   2.673   5.190
  229   3HZ   LYS  34          3HZ       LYS  34   7.379   2.084   3.627
  230    H    CYS  35           H        CYS  35   1.810   0.449   5.213
  231    HA   CYS  35           HA       CYS  35   3.727  -1.617   4.494
  232   1HB   CYS  35          2HB       CYS  35   3.324  -1.061   6.856
  233   2HB   CYS  35          1HB       CYS  35   1.639  -1.562   6.699
  234    H    ASN  36           H        ASN  36   0.183  -1.387   4.599
  235    HA   ASN  36           HA       ASN  36  -0.219  -4.110   3.667
  236   1HB   ASN  36          2HB       ASN  36  -1.802  -2.092   4.776
  237   2HB   ASN  36          1HB       ASN  36  -2.397  -2.251   3.126
  238   1HD2  ASN  36          1HD2      ASN  36  -2.284  -3.772   6.247
  239   2HD2  ASN  36          2HD2      ASN  36  -3.141  -5.176   5.828
  240    H    PHE  37           H        PHE  37   0.558  -1.102   2.226
  241    HA   PHE  37           HA       PHE  37  -0.517  -1.723  -0.427
  242   1HB   PHE  37          2HB       PHE  37  -0.252   0.621   0.450
  243   2HB   PHE  37          1HB       PHE  37   1.496   0.400   0.373
  244    HD1  PHE  37           1HD      PHE  37   2.586   1.120  -1.556
  245    HD2  PHE  37           2HD      PHE  37  -1.513  -0.125  -1.812
  246    HE1  PHE  37           1HE      PHE  37   2.558   1.701  -3.966
  247    HE2  PHE  37           2HE      PHE  37  -1.546   0.460  -4.223
  248    HZ   PHE  37           HZ       PHE  37   0.495   1.370  -5.299
  249    H    CYS  38           H        CYS  38   2.675  -1.752   1.153
  250    HA   CYS  38           HA       CYS  38   4.081  -2.549  -1.259
  251   1HB   CYS  38          2HB       CYS  38   4.813  -2.489   1.667
  252   2HB   CYS  38          1HB       CYS  38   5.907  -3.154   0.459
  253    H    ASN  39           H        ASN  39   2.641  -4.248   1.481
  254    HA   ASN  39           HA       ASN  39   3.710  -6.834   0.673
  255   1HB   ASN  39          2HB       ASN  39   2.096  -5.773   2.858
  256   2HB   ASN  39          1HB       ASN  39   1.448  -7.297   2.257
  257   1HD2  ASN  39          1HD2      ASN  39   3.223  -6.432   4.740
  258   2HD2  ASN  39          2HD2      ASN  39   4.431  -7.625   4.753
  259    H    ALA  40           H        ALA  40   0.586  -5.178   0.366
  260    HA   ALA  40           HA       ALA  40  -0.760  -7.290  -1.018
  261   1HB   ALA  40          1HB       ALA  40  -1.133  -4.292  -1.346
  262   2HB   ALA  40          2HB       ALA  40  -1.921  -5.275  -0.112
  263   3HB   ALA  40          3HB       ALA  40  -2.289  -5.538  -1.817
  264    H    VAL  41           H        VAL  41   1.739  -5.097  -1.896
  265    HA   VAL  41           HA       VAL  41   1.352  -5.394  -4.790
  266    HB   VAL  41           HB       VAL  41   3.532  -4.151  -3.096
  267   1HG1  VAL  41          1HG1      VAL  41   4.343  -3.261  -5.342
  268   2HG1  VAL  41          2HG1      VAL  41   3.316  -4.480  -6.098
  269   3HG1  VAL  41          3HG1      VAL  41   4.647  -4.973  -5.050
  270   1HG2  VAL  41          1HG2      VAL  41   2.532  -2.124  -3.588
  271   2HG2  VAL  41          2HG2      VAL  41   1.103  -3.158  -3.614
  272   3HG2  VAL  41          3HG2      VAL  41   1.888  -2.697  -5.126
  273    H    VAL  42           H        VAL  42   3.328  -6.817  -2.225
  274    HA   VAL  42           HA       VAL  42   5.047  -8.271  -4.076
  275    HB   VAL  42           HB       VAL  42   4.498  -8.811  -1.142
  276   1HG1  VAL  42          1HG1      VAL  42   7.139  -9.474  -1.978
  277   2HG1  VAL  42          2HG1      VAL  42   6.027 -10.189  -3.145
  278   3HG1  VAL  42          3HG1      VAL  42   5.872 -10.572  -1.430
  279   1HG2  VAL  42          1HG2      VAL  42   7.022  -7.618  -1.520
  280   2HG2  VAL  42          2HG2      VAL  42   5.606  -6.877  -0.776
  281   3HG2  VAL  42          3HG2      VAL  42   5.905  -6.669  -2.502
  282    H    GLU  43           H        GLU  43   1.940  -8.839  -2.585
  283    HA   GLU  43           HA       GLU  43   1.952 -11.706  -3.199
  284   1HB   GLU  43          2HB       GLU  43  -0.324  -9.882  -2.353
  285   2HB   GLU  43          1HB       GLU  43  -0.382 -11.644  -2.405
  286   1HG   GLU  43          2HG       GLU  43   1.875 -11.207  -0.902
  287   2HG   GLU  43          1HG       GLU  43   0.847  -9.866  -0.402
  288    H    SER  44           H        SER  44   0.509  -8.745  -4.535
  289    HA   SER  44           HA       SER  44  -0.931 -10.146  -6.630
  290   1HB   SER  44          2HB       SER  44  -0.838  -7.509  -5.630
  291   2HB   SER  44          1HB       SER  44  -0.312  -7.400  -7.308
  292    HG   SER  44           HG       SER  44  -2.722  -8.424  -6.243
  293    H    ASN  45           H        ASN  45   2.340  -9.452  -6.155
  294    HA   ASN  45           HA       ASN  45   4.200  -9.721  -7.541
  295   1HB   ASN  45          2HB       ASN  45   2.016 -11.184  -8.917
  296   2HB   ASN  45          1HB       ASN  45   3.428 -10.781  -9.889
  297   1HD2  ASN  45          1HD2      ASN  45   3.826 -13.210  -9.873
  298   2HD2  ASN  45          2HD2      ASN  45   4.616 -13.887  -8.532
  299    H    GLY  46           H        GLY  46   2.583  -7.236  -7.634
  300   1HA   GLY  46          2HA       GLY  46   3.206  -5.241  -8.854
  301   2HA   GLY  46          1HA       GLY  46   3.633  -6.254 -10.233
  302    H    THR  47           H        THR  47   0.831  -7.571  -9.277
  303    HA   THR  47           HA       THR  47  -0.677  -6.192 -11.375
  304    HB   THR  47           HB       THR  47  -2.481  -7.823 -10.739
  305    HG1  THR  47           1HG      THR  47  -2.044  -9.297  -9.157
  306   1HG2  THR  47          1HG2      THR  47  -0.949  -8.488 -12.461
  307   2HG2  THR  47          2HG2      THR  47  -1.111  -9.865 -11.373
  308   3HG2  THR  47          3HG2      THR  47   0.318  -8.836 -11.285
  309    H    LEU  48           H        LEU  48  -0.073  -5.512  -8.172
  310    HA   LEU  48           HA       LEU  48  -2.689  -4.086  -7.890
  311   1HB   LEU  48          2HB       LEU  48  -2.397  -5.848  -6.186
  312   2HB   LEU  48          1HB       LEU  48  -0.855  -5.138  -5.712
  313    HG   LEU  48           HG       LEU  48  -2.982  -3.151  -5.734
  314   1HD1  LEU  48          1HD1      LEU  48  -3.619  -4.532  -3.380
  315   2HD1  LEU  48          2HD1      LEU  48  -3.602  -5.772  -4.634
  316   3HD1  LEU  48          3HD1      LEU  48  -4.646  -4.361  -4.803
  317   1HD2  LEU  48          1HD2      LEU  48  -0.588  -3.384  -4.568
  318   2HD2  LEU  48          2HD2      LEU  48  -1.561  -4.070  -3.269
  319   3HD2  LEU  48          3HD2      LEU  48  -1.876  -2.430  -3.834
  320    H    THR  49           H        THR  49  -2.083  -2.073  -8.704
  321    HA   THR  49           HA       THR  49   0.421  -0.853  -7.668
  322    HB   THR  49           HB       THR  49   0.453   0.467  -9.543
  323    HG1  THR  49           1HG      THR  49  -1.745   0.855 -10.600
  324   1HG2  THR  49          1HG2      THR  49  -0.017  -0.843 -11.402
  325   2HG2  THR  49          2HG2      THR  49  -1.553  -1.411 -10.742
  326   3HG2  THR  49          3HG2      THR  49  -0.033  -2.060 -10.124
  327    H    LEU  50           H        LEU  50  -0.594   1.830  -8.090
  328    HA   LEU  50           HA       LEU  50  -2.257   2.091  -5.624
  329   1HB   LEU  50          2HB       LEU  50  -0.106   3.125  -5.308
  330   2HB   LEU  50          1HB       LEU  50  -0.192   3.920  -6.879
  331    HG   LEU  50           HG       LEU  50  -2.504   4.590  -5.265
  332   1HD1  LEU  50          1HD1      LEU  50  -1.439   4.583  -3.245
  333   2HD1  LEU  50          2HD1      LEU  50  -0.789   6.116  -3.827
  334   3HD1  LEU  50          3HD1      LEU  50   0.165   4.639  -3.976
  335   1HD2  LEU  50          1HD2      LEU  50  -0.904   5.711  -7.243
  336   2HD2  LEU  50          2HD2      LEU  50  -0.533   6.682  -5.819
  337   3HD2  LEU  50          3HD2      LEU  50  -2.199   6.541  -6.379
  338    H    SER  51           H        SER  51  -4.001   3.607  -5.693
  339    HA   SER  51           HA       SER  51  -4.843   4.353  -8.461
  340   1HB   SER  51          2HB       SER  51  -6.222   2.711  -6.891
  341   2HB   SER  51          1HB       SER  51  -6.784   4.221  -6.182
  342    HG   SER  51           HG       SER  51  -8.064   4.331  -7.836
  343    H    HIS  52           H        HIS  52  -4.657   5.428  -5.085
  344    HA   HIS  52           HA       HIS  52  -4.035   8.094  -5.716
  345   1HB   HIS  52          2HB       HIS  52  -6.015   9.284  -5.785
  346   2HB   HIS  52          1HB       HIS  52  -6.575   7.780  -6.506
  347    HD1  HIS  52           1HD      HIS  52  -8.049   6.211  -5.014
  348    HD2  HIS  52           2HD      HIS  52  -7.034   9.823  -3.197
  349    HE1  HIS  52           1HE      HIS  52  -9.514   6.423  -2.956
  350    H    PHE  53           H        PHE  53  -2.832   8.390  -3.938
  351    HA   PHE  53           HA       PHE  53  -2.901   7.114  -1.502
  352   1HB   PHE  53          2HB       PHE  53  -2.334  10.066  -1.906
  353   2HB   PHE  53          1HB       PHE  53  -1.783   9.078  -0.558
  354    HD1  PHE  53           1HD      PHE  53  -1.198  10.041  -4.001
  355    HD2  PHE  53           2HD      PHE  53  -0.215   7.150  -0.981
  356    HE1  PHE  53           1HE      PHE  53   0.773   9.330  -5.324
  357    HE2  PHE  53           2HE      PHE  53   1.758   6.438  -2.305
  358    HZ   PHE  53           HZ       PHE  53   2.253   7.530  -4.477
  359    H    GLY  54           H        GLY  54  -5.024   6.711  -0.746
  360   1HA   GLY  54          2HA       GLY  54  -6.213   8.152   1.195
  361   2HA   GLY  54          1HA       GLY  54  -6.816   8.998  -0.233
  362    H    LYS  55           H        LYS  55  -8.439   7.477   1.644
  363    HA   LYS  55           HA       LYS  55  -9.059   4.879   0.579
  364   1HB   LYS  55          2HB       LYS  55 -10.990   4.938   1.993
  365   2HB   LYS  55          1HB       LYS  55  -9.722   5.799   2.865
  366   1HG   LYS  55          2HG       LYS  55 -10.631   7.949   1.940
  367   2HG   LYS  55          1HG       LYS  55 -11.972   7.033   1.253
  368   1HD   LYS  55          2HD       LYS  55 -11.423   6.560   4.131
  369   2HD   LYS  55          1HD       LYS  55 -12.061   8.151   3.720
  370   1HE   LYS  55          2HE       LYS  55 -13.984   7.182   2.632
  371   2HE   LYS  55          1HE       LYS  55 -13.308   5.559   2.770
  372   1HZ   LYS  55          1HZ       LYS  55 -14.649   7.180   4.759
  373   2HZ   LYS  55          2HZ       LYS  55 -13.264   6.366   5.315
  374   3HZ   LYS  55          3HZ       LYS  55 -14.545   5.493   4.622
  375    H    CYS  56           H        CYS  56 -10.911   4.288  -0.727
  376    HA   CYS  56           HA       CYS  56 -11.570   6.379  -2.723
  377   1HB   CYS  56          2HB       CYS  56 -11.609   3.388  -2.668
  378   2HB   CYS  56          1HB       CYS  56 -12.721   4.213  -3.764
  Start of MODEL    7
    1   1H    ALA   3          1HT       ALA   3   8.080   7.797  -6.812
    2   2H    ALA   3          2HT       ALA   3   7.914   9.020  -7.977
    3   3H    ALA   3          3HT       ALA   3   9.444   8.359  -7.646
    4    HA   ALA   3           HA       ALA   3   8.476   7.525  -9.740
    5   1HB   ALA   3          1HB       ALA   3   8.798   5.084  -9.125
    6   2HB   ALA   3          2HB       ALA   3   8.947   5.603  -7.446
    7   3HB   ALA   3          3HB       ALA   3  10.120   6.149  -8.645
    8    H    VAL   4           H        VAL   4   6.990   5.538  -7.195
    9    HA   VAL   4           HA       VAL   4   4.403   5.794  -8.675
   10    HB   VAL   4           HB       VAL   4   5.544   3.504  -8.541
   11   1HG1  VAL   4          1HG1      VAL   4   5.540   2.334  -6.473
   12   2HG1  VAL   4          2HG1      VAL   4   4.505   3.535  -5.703
   13   3HG1  VAL   4          3HG1      VAL   4   6.181   3.928  -6.083
   14   1HG2  VAL   4          1HG2      VAL   4   3.119   2.769  -7.291
   15   2HG2  VAL   4          2HG2      VAL   4   3.424   2.909  -9.022
   16   3HG2  VAL   4          3HG2      VAL   4   2.794   4.289  -8.123
   17    H    SER   5           H        SER   5   5.324   7.656  -6.647
   18    HA   SER   5           HA       SER   5   4.158   8.849  -4.965
   19   1HB   SER   5          2HB       SER   5   2.171   7.285  -5.802
   20   2HB   SER   5          1HB       SER   5   2.470   6.484  -4.263
   21    HG   SER   5           HG       SER   5   2.423   8.767  -3.425
   22    H    VAL   6           H        VAL   6   4.433   5.365  -4.116
   23    HA   VAL   6           HA       VAL   6   6.045   6.232  -1.751
   24    HB   VAL   6           HB       VAL   6   5.090   3.868  -0.892
   25   1HG1  VAL   6          1HG1      VAL   6   4.725   5.576   0.588
   26   2HG1  VAL   6          2HG1      VAL   6   3.078   5.413  -0.020
   27   3HG1  VAL   6          3HG1      VAL   6   4.133   6.672  -0.659
   28   1HG2  VAL   6          1HG2      VAL   6   2.605   3.884  -1.503
   29   2HG2  VAL   6          2HG2      VAL   6   3.706   3.327  -2.762
   30   3HG2  VAL   6          3HG2      VAL   6   3.040   4.956  -2.833
   31    H    ASP   7           H        ASP   7   7.584   4.520  -1.010
   32    HA   ASP   7           HA       ASP   7   8.467   2.806  -3.297
   33   1HB   ASP   7          2HB       ASP   7   9.856   4.942  -2.399
   34   2HB   ASP   7          1HB       ASP   7  10.476   3.707  -1.301
   35    H    CYS   8           H        CYS   8   8.854   0.679  -2.801
   36    HA   CYS   8           HA       CYS   8   8.209  -0.231  -0.071
   37   1HB   CYS   8          2HB       CYS   8   8.974  -1.861  -2.514
   38   2HB   CYS   8          1HB       CYS   8   8.225  -2.465  -1.035
   39    H    SER   9           H        SER   9  10.331   1.096   0.413
   40    HA   SER   9           HA       SER   9  12.911   0.565  -0.126
   41   1HB   SER   9          2HB       SER   9  11.491   1.211   2.349
   42   2HB   SER   9          1HB       SER   9  13.027   0.396   2.632
   43    HG   SER   9           HG       SER   9  12.818   2.865   2.216
   44    H    GLU  10           H        GLU  10  11.196  -1.519   2.259
   45    HA   GLU  10           HA       GLU  10  12.802  -3.800   1.235
   46   1HB   GLU  10          2HB       GLU  10  13.326  -4.474   3.592
   47   2HB   GLU  10          1HB       GLU  10  14.114  -2.973   3.105
   48   1HG   GLU  10          2HG       GLU  10  12.873  -1.701   4.540
   49   2HG   GLU  10          1HG       GLU  10  11.417  -2.667   4.296
   50    H    TYR  11           H        TYR  11  10.583  -4.277   0.387
   51    HA   TYR  11           HA       TYR  11   8.804  -5.387   2.518
   52   1HB   TYR  11          2HB       TYR  11   8.262  -4.200  -0.186
   53   2HB   TYR  11          1HB       TYR  11   7.136  -5.383   0.479
   54    HD1  TYR  11           1HD      TYR  11   5.623  -4.800   2.230
   55    HD2  TYR  11           2HD      TYR  11   8.816  -2.134   1.161
   56    HE1  TYR  11           1HE      TYR  11   4.628  -3.033   3.665
   57    HE2  TYR  11           2HE      TYR  11   7.824  -0.369   2.592
   58    HH   TYR  11           HH       TYR  11   6.286  -0.290   4.616
   59    HA   PRO  12           HA       PRO  12   6.788  -6.465   1.965
   60   1HB   PRO  12          2HB       PRO  12   5.986  -8.853   3.070
   61   2HB   PRO  12          1HB       PRO  12   5.592  -8.356   1.416
   62   1HG   PRO  12          2HG       PRO  12   7.585 -10.371   2.346
   63   2HG   PRO  12          1HG       PRO  12   6.714 -10.282   0.805
   64   1HD   PRO  12          2HD       PRO  12   9.403  -9.513   1.229
   65   2HD   PRO  12          1HD       PRO  12   8.417  -9.116  -0.194
   66    H    LYS  13           H        LYS  13   6.112  -6.506   4.334
   67    HA   LYS  13           HA       LYS  13   8.547  -6.723   6.047
   68   1HB   LYS  13          2HB       LYS  13   6.036  -5.246   6.812
   69   2HB   LYS  13          1HB       LYS  13   7.694  -4.967   7.352
   70   1HG   LYS  13          2HG       LYS  13   8.270  -4.297   4.991
   71   2HG   LYS  13          1HG       LYS  13   6.551  -4.389   4.606
   72   1HD   LYS  13          2HD       LYS  13   6.208  -2.343   5.474
   73   2HD   LYS  13          1HD       LYS  13   6.907  -2.848   7.013
   74   1HE   LYS  13          2HE       LYS  13   9.196  -2.512   5.923
   75   2HE   LYS  13          1HE       LYS  13   8.344  -1.699   4.611
   76   1HZ   LYS  13          1HZ       LYS  13   8.933  -0.008   6.082
   77   2HZ   LYS  13          2HZ       LYS  13   8.510  -0.915   7.457
   78   3HZ   LYS  13          3HZ       LYS  13   7.301  -0.302   6.433
   79    HA   PRO  14           HA       PRO  14   6.645  -9.930   8.363
   80   1HB   PRO  14          2HB       PRO  14   7.962  -9.566  10.748
   81   2HB   PRO  14          1HB       PRO  14   8.716 -10.280   9.312
   82   1HG   PRO  14          2HG       PRO  14   9.091  -7.557  10.469
   83   2HG   PRO  14          1HG       PRO  14  10.207  -8.524   9.490
   84   1HD   PRO  14          2HD       PRO  14   8.630  -6.366   8.558
   85   2HD   PRO  14          1HD       PRO  14   9.487  -7.548   7.546
   86    H    ALA  15           H        ALA  15   6.030  -6.688   8.965
   87    HA   ALA  15           HA       ALA  15   3.602  -7.219  10.404
   88   1HB   ALA  15          1HB       ALA  15   5.901  -6.068  12.014
   89   2HB   ALA  15          2HB       ALA  15   5.113  -7.621  12.289
   90   3HB   ALA  15          3HB       ALA  15   4.223  -6.121  12.552
   91    H    CYS  16           H        CYS  16   2.452  -5.182  10.924
   92    HA   CYS  16           HA       CYS  16   3.526  -2.886   9.330
   93   1HB   CYS  16          2HB       CYS  16   0.662  -3.765   9.805
   94   2HB   CYS  16          1HB       CYS  16   1.114  -2.256   9.015
   95    H    THR  17           H        THR  17   1.692  -0.959  10.219
   96    HA   THR  17           HA       THR  17   2.214  -0.876  13.163
   97    HB   THR  17           HB       THR  17   2.376   1.690  12.721
   98    HG1  THR  17           1HG      THR  17   2.970   2.227  10.678
   99   1HG2  THR  17          1HG2      THR  17   4.821   1.432  12.182
  100   2HG2  THR  17          2HG2      THR  17   4.524  -0.284  11.905
  101   3HG2  THR  17          3HG2      THR  17   4.270   0.408  13.508
  102    H    MET  18           H        MET  18   0.776   0.938  14.173
  103    HA   MET  18           HA       MET  18  -1.979   0.308  13.518
  104   1HB   MET  18          2HB       MET  18  -2.554   1.724  15.373
  105   2HB   MET  18          1HB       MET  18  -1.080   0.869  15.832
  106   1HG   MET  18          2HG       MET  18   0.028   3.022  14.659
  107   2HG   MET  18          1HG       MET  18  -1.483   3.749  15.204
  108   1HE   MET  18          1HE       MET  18  -0.050   5.144  18.172
  109   2HE   MET  18          2HE       MET  18  -0.780   5.288  16.575
  110   3HE   MET  18          3HE       MET  18   0.969   5.131  16.727
  111    H    GLU  19           H        GLU  19   0.192   2.339  12.035
  112    HA   GLU  19           HA       GLU  19  -1.033   4.787  11.602
  113   1HB   GLU  19          2HB       GLU  19   1.117   4.026  10.563
  114   2HB   GLU  19          1HB       GLU  19   0.178   3.076   9.413
  115   1HG   GLU  19          2HG       GLU  19   0.448   5.035   8.201
  116   2HG   GLU  19          1HG       GLU  19  -1.069   5.387   9.031
  117    H    TYR  20           H        TYR  20  -2.813   5.520  10.483
  118    HA   TYR  20           HA       TYR  20  -4.561   3.428   9.241
  119   1HB   TYR  20          2HB       TYR  20  -5.248   4.915  11.333
  120   2HB   TYR  20          1HB       TYR  20  -5.594   6.097  10.073
  121    HD1  TYR  20           1HD      TYR  20  -6.199   2.495  10.919
  122    HD2  TYR  20           2HD      TYR  20  -7.662   6.032   8.970
  123    HE1  TYR  20           1HE      TYR  20  -8.330   1.333  10.409
  124    HE2  TYR  20           2HE      TYR  20  -9.794   4.869   8.461
  125    HH   TYR  20           HH       TYR  20 -10.380   1.536   9.576
  126    H    ARG  21           H        ARG  21  -2.511   4.597   7.731
  127    HA   ARG  21           HA       ARG  21  -3.546   6.860   6.220
  128   1HB   ARG  21          2HB       ARG  21  -1.067   6.179   6.598
  129   2HB   ARG  21          1HB       ARG  21  -1.340   5.043   5.279
  130   1HG   ARG  21          2HG       ARG  21  -0.508   7.021   4.244
  131   2HG   ARG  21          1HG       ARG  21  -2.245   7.025   3.944
  132   1HD   ARG  21          2HD       ARG  21  -2.245   8.344   6.278
  133   2HD   ARG  21          1HD       ARG  21  -0.627   8.781   5.727
  134    HE   ARG  21           HE       ARG  21  -2.349   9.216   3.542
  135   1HH1  ARG  21          1HH1      ARG  21  -0.607  11.158   5.305
  136   2HH1  ARG  21          2HH1      ARG  21  -1.797  12.365   5.655
  137   1HH2  ARG  21          1HH2      ARG  21  -4.468  10.401   4.627
  138   2HH2  ARG  21          2HH2      ARG  21  -3.989  11.936   5.270
  139    HA   PRO  22           HA       PRO  22  -6.009   4.105   3.694
  140   1HB   PRO  22          2HB       PRO  22  -7.323   6.118   2.366
  141   2HB   PRO  22          1HB       PRO  22  -7.765   5.560   3.990
  142   1HG   PRO  22          2HG       PRO  22  -6.352   8.061   3.184
  143   2HG   PRO  22          1HG       PRO  22  -7.350   7.748   4.613
  144   1HD   PRO  22          2HD       PRO  22  -4.521   7.808   4.547
  145   2HD   PRO  22          1HD       PRO  22  -5.522   7.172   5.872
  146    H    LEU  23           H        LEU  23  -5.045   3.148   1.953
  147    HA   LEU  23           HA       LEU  23  -3.980   4.918  -0.213
  148   1HB   LEU  23          2HB       LEU  23  -2.809   2.469   1.073
  149   2HB   LEU  23          1HB       LEU  23  -2.485   2.772  -0.637
  150    HG   LEU  23           HG       LEU  23  -2.145   5.028   1.306
  151   1HD1  LEU  23          1HD1      LEU  23  -0.594   2.515   1.274
  152   2HD1  LEU  23          2HD1      LEU  23  -0.707   3.754   2.526
  153   3HD1  LEU  23          3HD1      LEU  23   0.381   3.981   1.156
  154   1HD2  LEU  23          1HD2      LEU  23  -1.871   5.513  -1.047
  155   2HD2  LEU  23          2HD2      LEU  23  -0.812   4.121  -1.262
  156   3HD2  LEU  23          3HD2      LEU  23  -0.265   5.508  -0.320
  157    H    CYS  24           H        CYS  24  -5.370   4.701  -1.919
  158    HA   CYS  24           HA       CYS  24  -6.934   2.216  -2.203
  159   1HB   CYS  24          2HB       CYS  24  -7.931   4.510  -2.568
  160   2HB   CYS  24          1HB       CYS  24  -6.928   4.645  -4.014
  161    H    GLY  25           H        GLY  25  -5.327   0.698  -2.846
  162   1HA   GLY  25          2HA       GLY  25  -3.345   1.044  -4.808
  163   2HA   GLY  25          1HA       GLY  25  -4.112  -0.504  -4.454
  164    H    SER  26           H        SER  26  -3.325   0.681  -7.089
  165    HA   SER  26           HA       SER  26  -5.489   1.652  -8.587
  166   1HB   SER  26          2HB       SER  26  -4.346   0.223 -10.479
  167   2HB   SER  26          1HB       SER  26  -3.482   1.581  -9.763
  168    HG   SER  26           HG       SER  26  -2.950  -1.092  -9.663
  169    H    ASP  27           H        ASP  27  -5.175  -1.452  -7.113
  170    HA   ASP  27           HA       ASP  27  -7.057  -2.770  -8.945
  171   1HB   ASP  27          2HB       ASP  27  -6.736  -4.719  -7.614
  172   2HB   ASP  27          1HB       ASP  27  -5.159  -3.936  -7.687
  173    H    ASN  28           H        ASN  28  -7.778  -0.331  -7.215
  174    HA   ASN  28           HA       ASN  28  -9.682   0.415  -6.073
  175   1HB   ASN  28          2HB       ASN  28 -10.652  -1.133  -7.991
  176   2HB   ASN  28          1HB       ASN  28 -11.057  -2.188  -6.638
  177   1HD2  ASN  28          1HD2      ASN  28 -12.358   0.258  -8.488
  178   2HD2  ASN  28          2HD2      ASN  28 -13.446   0.910  -7.360
  179    H    LYS  29           H        LYS  29  -7.658  -0.918  -4.532
  180    HA   LYS  29           HA       LYS  29  -9.382  -2.270  -2.484
  181   1HB   LYS  29          2HB       LYS  29  -6.857  -3.077  -3.677
  182   2HB   LYS  29          1HB       LYS  29  -6.731  -2.960  -1.922
  183   1HG   LYS  29          2HG       LYS  29  -9.222  -4.223  -2.821
  184   2HG   LYS  29          1HG       LYS  29  -7.777  -5.115  -3.295
  185   1HD   LYS  29          2HD       LYS  29  -7.083  -4.579  -0.767
  186   2HD   LYS  29          1HD       LYS  29  -8.836  -4.533  -0.565
  187   1HE   LYS  29          2HE       LYS  29  -8.878  -6.776  -1.814
  188   2HE   LYS  29          1HE       LYS  29  -7.133  -6.825  -1.561
  189   1HZ   LYS  29          1HZ       LYS  29  -9.208  -7.415   0.266
  190   2HZ   LYS  29          2HZ       LYS  29  -8.265  -6.137   0.868
  191   3HZ   LYS  29          3HZ       LYS  29  -7.535  -7.614   0.454
  192    H    THR  30           H        THR  30  -9.444  -1.303  -0.505
  193    HA   THR  30           HA       THR  30  -7.817   1.125  -0.105
  194    HB   THR  30           HB       THR  30 -10.139  -0.129   1.364
  195    HG1  THR  30           1HG      THR  30 -11.076   1.244   0.107
  196   1HG2  THR  30          1HG2      THR  30  -9.993   1.712   2.997
  197   2HG2  THR  30          2HG2      THR  30  -8.488   2.254   2.255
  198   3HG2  THR  30          3HG2      THR  30  -8.556   0.691   3.070
  199    H    TYR  31           H        TYR  31  -6.025   1.184   1.178
  200    HA   TYR  31           HA       TYR  31  -5.394  -1.252   2.777
  201   1HB   TYR  31          2HB       TYR  31  -3.663   0.729   1.297
  202   2HB   TYR  31          1HB       TYR  31  -3.008  -0.388   2.489
  203    HD1  TYR  31           1HD      TYR  31  -2.992  -0.071  -0.810
  204    HD2  TYR  31           2HD      TYR  31  -4.584  -2.813   2.084
  205    HE1  TYR  31           1HE      TYR  31  -2.992  -1.868  -2.517
  206    HE2  TYR  31           2HE      TYR  31  -4.583  -4.613   0.381
  207    HH   TYR  31           HH       TYR  31  -4.640  -4.331  -2.584
  208    H    GLY  32           H        GLY  32  -4.286  -0.877   4.826
  209   1HA   GLY  32          2HA       GLY  32  -5.348   1.462   6.224
  210   2HA   GLY  32          1HA       GLY  32  -4.399   0.166   6.951
  211    H    ASN  33           H        ASN  33  -2.323   0.552   4.743
  212    HA   ASN  33           HA       ASN  33  -1.287   3.215   4.981
  213   1HB   ASN  33          2HB       ASN  33   0.695   2.572   6.455
  214   2HB   ASN  33          1HB       ASN  33  -0.853   2.742   7.283
  215   1HD2  ASN  33          1HD2      ASN  33   0.004   1.223   8.960
  216   2HD2  ASN  33          2HD2      ASN  33   0.016  -0.445   8.649
  217    H    LYS  34           H        LYS  34   1.304   2.992   4.580
  218    HA   LYS  34           HA       LYS  34   1.544   1.778   1.992
  219   1HB   LYS  34          2HB       LYS  34   3.733   2.646   1.954
  220   2HB   LYS  34          1HB       LYS  34   2.871   3.767   3.004
  221   1HG   LYS  34          2HG       LYS  34   3.658   2.070   4.895
  222   2HG   LYS  34          1HG       LYS  34   4.911   1.696   3.713
  223   1HD   LYS  34          2HD       LYS  34   5.572   4.039   3.603
  224   2HD   LYS  34          1HD       LYS  34   4.253   4.490   4.683
  225   1HE   LYS  34          2HE       LYS  34   6.354   4.336   5.941
  226   2HE   LYS  34          1HE       LYS  34   5.242   3.072   6.461
  227   1HZ   LYS  34          1HZ       LYS  34   7.351   2.076   6.148
  228   2HZ   LYS  34          2HZ       LYS  34   7.553   2.798   4.623
  229   3HZ   LYS  34          3HZ       LYS  34   6.387   1.582   4.844
  230    H    CYS  35           H        CYS  35   1.851   0.485   5.154
  231    HA   CYS  35           HA       CYS  35   3.774  -1.594   4.510
  232   1HB   CYS  35          2HB       CYS  35   3.351  -0.906   6.843
  233   2HB   CYS  35          1HB       CYS  35   1.686  -1.477   6.709
  234    H    ASN  36           H        ASN  36   0.239  -1.344   4.573
  235    HA   ASN  36           HA       ASN  36  -0.100  -4.117   3.690
  236   1HB   ASN  36          2HB       ASN  36  -1.699  -2.203   4.972
  237   2HB   ASN  36          1HB       ASN  36  -2.415  -2.390   3.374
  238   1HD2  ASN  36          1HD2      ASN  36  -1.519  -4.174   6.325
  239   2HD2  ASN  36          2HD2      ASN  36  -2.501  -5.524   6.010
  240    H    PHE  37           H        PHE  37   0.681  -1.182   2.233
  241    HA   PHE  37           HA       PHE  37  -0.702  -1.720  -0.315
  242   1HB   PHE  37          2HB       PHE  37  -0.425   0.608   0.513
  243   2HB   PHE  37          1HB       PHE  37   1.325   0.414   0.423
  244    HD1  PHE  37           1HD      PHE  37   2.174   1.629  -1.379
  245    HD2  PHE  37           2HD      PHE  37  -1.473  -0.586  -1.861
  246    HE1  PHE  37           1HE      PHE  37   2.119   2.238  -3.783
  247    HE2  PHE  37           2HE      PHE  37  -1.529   0.022  -4.260
  248    HZ   PHE  37           HZ       PHE  37   0.267   1.433  -5.224
  249    H    CYS  38           H        CYS  38   2.695  -1.355   0.745
  250    HA   CYS  38           HA       CYS  38   3.801  -2.355  -1.707
  251   1HB   CYS  38          2HB       CYS  38   4.832  -1.872   1.067
  252   2HB   CYS  38          1HB       CYS  38   5.808  -2.838  -0.040
  253    H    ASN  39           H        ASN  39   2.542  -3.850   1.182
  254    HA   ASN  39           HA       ASN  39   3.692  -6.477   0.640
  255   1HB   ASN  39          2HB       ASN  39   1.952  -5.268   2.667
  256   2HB   ASN  39          1HB       ASN  39   1.431  -6.890   2.214
  257   1HD2  ASN  39          1HD2      ASN  39   2.156  -7.735   4.315
  258   2HD2  ASN  39          2HD2      ASN  39   3.808  -7.952   4.641
  259    H    ALA  40           H        ALA  40   0.493  -4.981   0.217
  260    HA   ALA  40           HA       ALA  40  -0.738  -7.222  -1.052
  261   1HB   ALA  40          1HB       ALA  40  -1.642  -4.794  -2.280
  262   2HB   ALA  40          2HB       ALA  40  -1.386  -4.481  -0.566
  263   3HB   ALA  40          3HB       ALA  40  -2.471  -5.774  -1.070
  264    H    VAL  41           H        VAL  41   1.657  -4.952  -2.026
  265    HA   VAL  41           HA       VAL  41   1.401  -5.363  -4.895
  266    HB   VAL  41           HB       VAL  41   3.591  -4.196  -3.158
  267   1HG1  VAL  41          1HG1      VAL  41   4.693  -3.478  -5.189
  268   2HG1  VAL  41          2HG1      VAL  41   3.397  -4.146  -6.181
  269   3HG1  VAL  41          3HG1      VAL  41   4.466  -5.224  -5.281
  270   1HG2  VAL  41          1HG2      VAL  41   1.990  -2.690  -5.191
  271   2HG2  VAL  41          2HG2      VAL  41   2.692  -2.124  -3.675
  272   3HG2  VAL  41          3HG2      VAL  41   1.223  -3.099  -3.657
  273    H    VAL  42           H        VAL  42   3.320  -6.765  -2.260
  274    HA   VAL  42           HA       VAL  42   4.927  -8.393  -4.082
  275    HB   VAL  42           HB       VAL  42   4.524  -8.806  -1.106
  276   1HG1  VAL  42          1HG1      VAL  42   7.051  -9.308  -2.642
  277   2HG1  VAL  42          2HG1      VAL  42   5.738 -10.477  -2.762
  278   3HG1  VAL  42          3HG1      VAL  42   6.449 -10.109  -1.191
  279   1HG2  VAL  42          1HG2      VAL  42   6.939  -7.467  -1.520
  280   2HG2  VAL  42          2HG2      VAL  42   5.471  -6.767  -0.842
  281   3HG2  VAL  42          3HG2      VAL  42   5.800  -6.622  -2.568
  282    H    GLU  43           H        GLU  43   1.817  -8.667  -2.585
  283    HA   GLU  43           HA       GLU  43   1.720 -11.595  -2.836
  284   1HB   GLU  43          2HB       GLU  43  -0.506  -9.614  -2.253
  285   2HB   GLU  43          1HB       GLU  43  -0.598 -11.365  -2.062
  286   1HG   GLU  43          2HG       GLU  43   1.698 -10.145  -0.683
  287   2HG   GLU  43          1HG       GLU  43   0.132  -9.606  -0.072
  288    H    SER  44           H        SER  44   0.699  -8.755  -4.643
  289    HA   SER  44           HA       SER  44  -0.920 -10.298  -6.532
  290   1HB   SER  44          2HB       SER  44  -0.503  -7.533  -5.912
  291   2HB   SER  44          1HB       SER  44  -0.164  -7.772  -7.624
  292    HG   SER  44           HG       SER  44  -2.228  -7.958  -7.905
  293    H    ASN  45           H        ASN  45   2.366  -9.958  -6.052
  294    HA   ASN  45           HA       ASN  45   4.145 -10.772  -7.365
  295   1HB   ASN  45          2HB       ASN  45   2.127 -12.112  -8.466
  296   2HB   ASN  45          1HB       ASN  45   2.414 -10.991  -9.797
  297   1HD2  ASN  45          1HD2      ASN  45   4.147 -11.477 -11.181
  298   2HD2  ASN  45          2HD2      ASN  45   5.333 -12.648 -10.860
  299    H    GLY  46           H        GLY  46   2.901  -7.955  -7.336
  300   1HA   GLY  46          2HA       GLY  46   4.043  -5.978  -8.127
  301   2HA   GLY  46          1HA       GLY  46   4.642  -6.909  -9.502
  302    H    THR  47           H        THR  47   1.568  -7.877  -9.385
  303    HA   THR  47           HA       THR  47   0.757  -5.955 -11.470
  304    HB   THR  47           HB       THR  47  -1.154  -7.493 -11.793
  305    HG1  THR  47           1HG      THR  47  -1.393  -8.139  -9.635
  306   1HG2  THR  47          1HG2      THR  47   0.252  -9.569 -12.299
  307   2HG2  THR  47          2HG2      THR  47   1.614  -8.689 -11.601
  308   3HG2  THR  47          3HG2      THR  47   0.800  -8.061 -13.033
  309    H    LEU  48           H        LEU  48   0.943  -4.862  -8.840
  310    HA   LEU  48           HA       LEU  48  -1.830  -3.900  -8.547
  311   1HB   LEU  48          2HB       LEU  48  -1.507  -5.917  -7.004
  312   2HB   LEU  48          1HB       LEU  48  -0.350  -4.925  -6.117
  313    HG   LEU  48           HG       LEU  48  -2.722  -3.382  -6.592
  314   1HD1  LEU  48          1HD1      LEU  48  -4.174  -5.182  -6.671
  315   2HD1  LEU  48          2HD1      LEU  48  -4.070  -4.959  -4.923
  316   3HD1  LEU  48          3HD1      LEU  48  -3.114  -6.214  -5.711
  317   1HD2  LEU  48          1HD2      LEU  48  -1.300  -4.511  -4.172
  318   2HD2  LEU  48          2HD2      LEU  48  -2.728  -3.486  -4.025
  319   3HD2  LEU  48          3HD2      LEU  48  -1.265  -2.855  -4.779
  320    H    THR  49           H        THR  49  -1.265  -1.806  -8.994
  321    HA   THR  49           HA       THR  49   1.042  -0.623  -7.531
  322    HB   THR  49           HB       THR  49   0.936   1.180  -9.143
  323    HG1  THR  49           1HG      THR  49  -0.856   0.561 -10.849
  324   1HG2  THR  49          1HG2      THR  49   1.006  -0.205 -11.316
  325   2HG2  THR  49          2HG2      THR  49   0.669  -1.598 -10.287
  326   3HG2  THR  49          3HG2      THR  49   2.136  -0.649 -10.037
  327    H    LEU  50           H        LEU  50  -0.039   2.053  -7.830
  328    HA   LEU  50           HA       LEU  50  -2.005   1.986  -5.603
  329   1HB   LEU  50          2HB       LEU  50  -0.600   3.438  -4.607
  330   2HB   LEU  50          1HB       LEU  50   0.450   3.404  -6.012
  331    HG   LEU  50           HG       LEU  50  -1.464   5.120  -6.909
  332   1HD1  LEU  50          1HD1      LEU  50  -1.227   5.567  -3.923
  333   2HD1  LEU  50          2HD1      LEU  50  -2.679   5.014  -4.748
  334   3HD1  LEU  50          3HD1      LEU  50  -2.050   6.630  -5.062
  335   1HD2  LEU  50          1HD2      LEU  50   0.432   6.308  -7.065
  336   2HD2  LEU  50          2HD2      LEU  50   1.210   5.233  -5.903
  337   3HD2  LEU  50          3HD2      LEU  50   0.340   6.659  -5.341
  338    H    SER  51           H        SER  51  -3.645   3.780  -5.684
  339    HA   SER  51           HA       SER  51  -4.334   4.477  -8.507
  340   1HB   SER  51          2HB       SER  51  -6.481   3.754  -8.221
  341   2HB   SER  51          1HB       SER  51  -5.782   2.773  -6.936
  342    HG   SER  51           HG       SER  51  -7.608   4.082  -6.301
  343    H    HIS  52           H        HIS  52  -4.446   5.420  -5.097
  344    HA   HIS  52           HA       HIS  52  -3.851   8.122  -5.566
  345   1HB   HIS  52          2HB       HIS  52  -5.841   9.271  -5.757
  346   2HB   HIS  52          1HB       HIS  52  -6.323   7.777  -6.551
  347    HD1  HIS  52           1HD      HIS  52  -7.786   6.094  -5.128
  348    HD2  HIS  52           2HD      HIS  52  -7.142   9.796  -3.322
  349    HE1  HIS  52           1HE      HIS  52  -9.454   6.264  -3.230
  350    H    PHE  53           H        PHE  53  -2.791   8.363  -3.697
  351    HA   PHE  53           HA       PHE  53  -3.008   6.956  -1.343
  352   1HB   PHE  53          2HB       PHE  53  -2.194   9.787  -1.918
  353   2HB   PHE  53          1HB       PHE  53  -2.287   9.239  -0.247
  354    HD1  PHE  53           1HD      PHE  53  -1.364   7.280  -3.273
  355    HD2  PHE  53           2HD      PHE  53  -0.004   9.030   0.404
  356    HE1  PHE  53           1HE      PHE  53   0.816   6.123  -3.536
  357    HE2  PHE  53           2HE      PHE  53   2.181   7.875   0.139
  358    HZ   PHE  53           HZ       PHE  53   2.583   6.433  -1.831
  359    H    GLY  54           H        GLY  54  -5.123   6.461  -0.751
  360   1HA   GLY  54          2HA       GLY  54  -6.492   7.863   1.153
  361   2HA   GLY  54          1HA       GLY  54  -7.108   8.576  -0.341
  362    H    LYS  55           H        LYS  55  -8.941   7.265   1.182
  363    HA   LYS  55           HA       LYS  55  -9.140   4.460   0.325
  364   1HB   LYS  55          2HB       LYS  55  -9.965   4.949   2.529
  365   2HB   LYS  55          1HB       LYS  55 -10.953   6.280   1.930
  366   1HG   LYS  55          2HG       LYS  55 -12.364   4.727   0.683
  367   2HG   LYS  55          1HG       LYS  55 -11.334   3.374   1.154
  368   1HD   LYS  55          2HD       LYS  55 -12.715   3.122   2.927
  369   2HD   LYS  55          1HD       LYS  55 -11.956   4.576   3.577
  370   1HE   LYS  55          2HE       LYS  55 -13.657   5.969   2.455
  371   2HE   LYS  55          1HE       LYS  55 -14.423   4.513   1.815
  372   1HZ   LYS  55          1HZ       LYS  55 -15.636   4.844   3.702
  373   2HZ   LYS  55          2HZ       LYS  55 -14.338   5.513   4.570
  374   3HZ   LYS  55          3HZ       LYS  55 -14.421   3.835   4.318
  375    H    CYS  56           H        CYS  56 -10.830   3.660  -1.052
  376    HA   CYS  56           HA       CYS  56 -11.791   5.703  -2.995
  377   1HB   CYS  56          2HB       CYS  56 -11.225   2.758  -3.151
  378   2HB   CYS  56          1HB       CYS  56 -12.376   3.474  -4.282
  Start of MODEL    8
    1   1H    ALA   3          1HT       ALA   3  -1.760   1.456  -1.543
    2   2H    ALA   3          2HT       ALA   3  -2.927   0.798  -2.591
    3   3H    ALA   3          3HT       ALA   3  -3.203   2.294  -1.846
    4    HA   ALA   3           HA       ALA   3  -2.127   1.878  -4.332
    5   1HB   ALA   3          1HB       ALA   3  -3.014   3.998  -2.658
    6   2HB   ALA   3          2HB       ALA   3  -2.781   4.025  -4.403
    7   3HB   ALA   3          3HB       ALA   3  -1.457   4.480  -3.331
    8    H    VAL   4           H        VAL   4  -0.083   2.669  -5.230
    9    HA   VAL   4           HA       VAL   4   2.201   1.796  -3.598
   10    HB   VAL   4           HB       VAL   4   2.002   0.996  -5.915
   11   1HG1  VAL   4          1HG1      VAL   4   0.934   2.554  -7.210
   12   2HG1  VAL   4          2HG1      VAL   4   2.601   2.885  -7.672
   13   3HG1  VAL   4          3HG1      VAL   4   1.795   3.911  -6.490
   14   1HG2  VAL   4          1HG2      VAL   4   4.243   0.928  -5.895
   15   2HG2  VAL   4          2HG2      VAL   4   4.275   2.284  -4.767
   16   3HG2  VAL   4          3HG2      VAL   4   4.295   2.581  -6.506
   17    H    SER   5           H        SER   5   3.402   4.126  -5.748
   18    HA   SER   5           HA       SER   5   4.258   6.262  -5.357
   19   1HB   SER   5          2HB       SER   5   2.222   7.313  -5.090
   20   2HB   SER   5          1HB       SER   5   1.688   6.195  -3.841
   21    HG   SER   5           HG       SER   5   2.204   8.348  -3.088
   22    H    VAL   6           H        VAL   6   4.881   3.771  -3.759
   23    HA   VAL   6           HA       VAL   6   6.343   5.128  -1.537
   24    HB   VAL   6           HB       VAL   6   4.481   3.910  -0.524
   25   1HG1  VAL   6          1HG1      VAL   6   3.766   2.333  -2.086
   26   2HG1  VAL   6          2HG1      VAL   6   4.600   1.306  -0.919
   27   3HG1  VAL   6          3HG1      VAL   6   5.401   1.769  -2.420
   28   1HG2  VAL   6          1HG2      VAL   6   6.482   3.754   0.778
   29   2HG2  VAL   6          2HG2      VAL   6   7.183   2.558  -0.311
   30   3HG2  VAL   6          3HG2      VAL   6   5.825   2.118   0.724
   31    H    ASP   7           H        ASP   7   8.424   4.075  -1.074
   32    HA   ASP   7           HA       ASP   7   9.444   2.635  -3.452
   33   1HB   ASP   7          2HB       ASP   7  10.496   4.687  -1.936
   34   2HB   ASP   7          1HB       ASP   7  11.362   3.277  -1.333
   35    H    CYS   8           H        CYS   8   7.772   1.258  -1.516
   36    HA   CYS   8           HA       CYS   8   7.993  -0.460   0.229
   37   1HB   CYS   8          2HB       CYS   8   8.828  -1.524  -2.480
   38   2HB   CYS   8          1HB       CYS   8   8.383  -2.548  -1.113
   39    H    SER   9           H        SER   9  10.019   0.736   1.164
   40    HA   SER   9           HA       SER   9  12.650   0.355   0.820
   41   1HB   SER   9          2HB       SER   9  11.433  -0.433   3.471
   42   2HB   SER   9          1HB       SER   9  12.996   0.325   3.184
   43    HG   SER   9           HG       SER   9  12.024   2.204   2.767
   44    H    GLU  10           H        GLU  10  10.926  -2.209   2.657
   45    HA   GLU  10           HA       GLU  10  12.315  -4.267   1.083
   46   1HB   GLU  10          2HB       GLU  10  13.176  -5.303   3.302
   47   2HB   GLU  10          1HB       GLU  10  14.087  -3.963   2.606
   48   1HG   GLU  10          2HG       GLU  10  12.069  -2.806   4.226
   49   2HG   GLU  10          1HG       GLU  10  12.785  -4.110   5.171
   50    H    TYR  11           H        TYR  11  10.194  -4.953   0.592
   51    HA   TYR  11           HA       TYR  11   8.627  -6.047   2.894
   52   1HB   TYR  11          2HB       TYR  11   7.844  -4.918   0.213
   53   2HB   TYR  11          1HB       TYR  11   6.755  -6.010   1.064
   54    HD1  TYR  11           1HD      TYR  11   5.359  -5.190   2.783
   55    HD2  TYR  11           2HD      TYR  11   8.782  -2.909   1.543
   56    HE1  TYR  11           1HE      TYR  11   4.649  -3.317   4.252
   57    HE2  TYR  11           2HE      TYR  11   8.073  -1.041   3.008
   58    HH   TYR  11           HH       TYR  11   6.592  -0.332   4.491
   59    HA   PRO  12           HA       PRO  12   6.531  -7.092   2.456
   60   1HB   PRO  12          2HB       PRO  12   5.671  -9.482   3.488
   61   2HB   PRO  12          1HB       PRO  12   5.256  -8.913   1.861
   62   1HG   PRO  12          2HG       PRO  12   7.175 -11.043   2.667
   63   2HG   PRO  12          1HG       PRO  12   6.290 -10.848   1.146
   64   1HD   PRO  12          2HD       PRO  12   9.018 -10.203   1.590
   65   2HD   PRO  12          1HD       PRO  12   8.049  -9.754   0.172
   66    H    LYS  13           H        LYS  13   6.055  -6.912   4.757
   67    HA   LYS  13           HA       LYS  13   8.428  -7.506   6.460
   68   1HB   LYS  13          2HB       LYS  13   6.093  -5.708   7.152
   69   2HB   LYS  13          1HB       LYS  13   7.699  -5.726   7.880
   70   1HG   LYS  13          2HG       LYS  13   8.691  -4.926   5.791
   71   2HG   LYS  13          1HG       LYS  13   7.114  -4.985   4.999
   72   1HD   LYS  13          2HD       LYS  13   6.367  -3.087   6.038
   73   2HD   LYS  13          1HD       LYS  13   7.254  -3.427   7.524
   74   1HE   LYS  13          2HE       LYS  13   8.850  -2.803   5.079
   75   2HE   LYS  13          1HE       LYS  13   8.006  -1.468   5.866
   76   1HZ   LYS  13          1HZ       LYS  13   9.609  -3.351   7.465
   77   2HZ   LYS  13          2HZ       LYS  13   9.195  -1.739   7.802
   78   3HZ   LYS  13          3HZ       LYS  13  10.373  -2.088   6.629
   79    HA   PRO  14           HA       PRO  14   6.112 -10.423   8.796
   80   1HB   PRO  14          2HB       PRO  14   7.322 -10.124  11.246
   81   2HB   PRO  14          1HB       PRO  14   8.083 -10.947   9.874
   82   1HG   PRO  14          2HG       PRO  14   8.662  -8.247  10.998
   83   2HG   PRO  14          1HG       PRO  14   9.726  -9.340  10.095
   84   1HD   PRO  14          2HD       PRO  14   8.407  -7.057   9.049
   85   2HD   PRO  14          1HD       PRO  14   9.213  -8.326   8.102
   86    H    ALA  15           H        ALA  15   6.100  -7.075   9.623
   87    HA   ALA  15           HA       ALA  15   3.425  -7.287  10.768
   88   1HB   ALA  15          1HB       ALA  15   4.305  -7.661  12.870
   89   2HB   ALA  15          2HB       ALA  15   4.393  -5.899  12.840
   90   3HB   ALA  15          3HB       ALA  15   5.828  -6.860  12.487
   91    H    CYS  16           H        CYS  16   2.356  -5.284  10.647
   92    HA   CYS  16           HA       CYS  16   3.917  -3.131   9.302
   93   1HB   CYS  16          2HB       CYS  16   1.015  -3.914   9.333
   94   2HB   CYS  16          1HB       CYS  16   1.465  -2.259   8.927
   95    H    THR  17           H        THR  17   3.366  -0.868   9.942
   96    HA   THR  17           HA       THR  17   3.354  -0.618  12.855
   97    HB   THR  17           HB       THR  17   3.022   1.926  11.616
   98    HG1  THR  17           1HG      THR  17   4.879   1.725  10.187
   99   1HG2  THR  17          1HG2      THR  17   5.575   0.583  12.541
  100   2HG2  THR  17          2HG2      THR  17   4.379   1.274  13.639
  101   3HG2  THR  17          3HG2      THR  17   5.234   2.314  12.499
  102    H    MET  18           H        MET  18   1.863   1.414  13.597
  103    HA   MET  18           HA       MET  18  -0.891   0.487  13.085
  104   1HB   MET  18          2HB       MET  18   0.386   1.427  15.340
  105   2HB   MET  18          1HB       MET  18  -0.521   2.845  14.810
  106   1HG   MET  18          2HG       MET  18  -1.954   0.230  14.787
  107   2HG   MET  18          1HG       MET  18  -1.623   0.952  16.362
  108   1HE   MET  18          1HE       MET  18  -3.410   2.435  17.443
  109   2HE   MET  18          2HE       MET  18  -4.029   0.920  16.794
  110   3HE   MET  18          3HE       MET  18  -4.959   2.402  16.594
  111    H    GLU  19           H        GLU  19   0.902   2.151  11.184
  112    HA   GLU  19           HA       GLU  19  -0.175   4.767  10.923
  113   1HB   GLU  19          2HB       GLU  19   1.658   3.196   9.521
  114   2HB   GLU  19          1HB       GLU  19   0.379   3.514   8.349
  115   1HG   GLU  19          2HG       GLU  19   1.493   5.474   8.027
  116   2HG   GLU  19          1HG       GLU  19   0.642   5.976   9.490
  117    H    TYR  20           H        TYR  20  -2.209   5.388  10.446
  118    HA   TYR  20           HA       TYR  20  -4.061   3.409   9.208
  119   1HB   TYR  20          2HB       TYR  20  -4.494   4.829  11.399
  120   2HB   TYR  20          1HB       TYR  20  -4.923   6.079  10.234
  121    HD1  TYR  20           1HD      TYR  20  -5.744   2.679  11.450
  122    HD2  TYR  20           2HD      TYR  20  -6.921   5.922   8.891
  123    HE1  TYR  20           1HE      TYR  20  -7.962   1.620  11.130
  124    HE2  TYR  20           2HE      TYR  20  -9.140   4.862   8.569
  125    HH   TYR  20           HH       TYR  20  -9.922   2.122   8.811
  126    H    ARG  21           H        ARG  21  -2.142   4.618   7.539
  127    HA   ARG  21           HA       ARG  21  -3.313   6.906   6.168
  128   1HB   ARG  21          2HB       ARG  21  -0.788   5.697   6.250
  129   2HB   ARG  21          1HB       ARG  21  -1.360   5.430   4.602
  130   1HG   ARG  21          2HG       ARG  21  -0.627   7.543   4.214
  131   2HG   ARG  21          1HG       ARG  21  -2.104   8.040   5.044
  132   1HD   ARG  21          2HD       ARG  21  -0.302   7.447   7.104
  133   2HD   ARG  21          1HD       ARG  21   0.661   8.307   5.903
  134    HE   ARG  21           HE       ARG  21  -1.190  10.087   6.015
  135   1HH1  ARG  21          1HH1      ARG  21   0.447   8.698   8.591
  136   2HH1  ARG  21          2HH1      ARG  21  -0.556   9.382   9.828
  137   1HH2  ARG  21          1HH2      ARG  21  -2.906  10.627   7.605
  138   2HH2  ARG  21          2HH2      ARG  21  -2.458  10.465   9.270
  139    HA   PRO  22           HA       PRO  22  -5.948   4.133   3.811
  140   1HB   PRO  22          2HB       PRO  22  -7.508   6.148   2.783
  141   2HB   PRO  22          1HB       PRO  22  -7.740   5.461   4.400
  142   1HG   PRO  22          2HG       PRO  22  -6.548   8.085   3.629
  143   2HG   PRO  22          1HG       PRO  22  -7.375   7.625   5.126
  144   1HD   PRO  22          2HD       PRO  22  -4.578   7.855   4.792
  145   2HD   PRO  22          1HD       PRO  22  -5.402   7.060   6.150
  146    H    LEU  23           H        LEU  23  -5.027   3.373   1.942
  147    HA   LEU  23           HA       LEU  23  -4.196   5.381  -0.113
  148   1HB   LEU  23          2HB       LEU  23  -3.137   2.571   0.321
  149   2HB   LEU  23          1HB       LEU  23  -2.574   3.708  -0.901
  150    HG   LEU  23           HG       LEU  23  -2.323   3.947   2.102
  151   1HD1  LEU  23          1HD1      LEU  23   0.082   4.535   0.842
  152   2HD1  LEU  23          2HD1      LEU  23  -0.587   3.236  -0.145
  153   3HD1  LEU  23          3HD1      LEU  23  -0.338   2.991   1.583
  154   1HD2  LEU  23          1HD2      LEU  23  -2.730   6.170   1.687
  155   2HD2  LEU  23          2HD2      LEU  23  -2.357   6.021  -0.031
  156   3HD2  LEU  23          3HD2      LEU  23  -1.050   6.141   1.148
  157    H    CYS  24           H        CYS  24  -5.411   5.328  -1.953
  158    HA   CYS  24           HA       CYS  24  -7.321   3.106  -2.317
  159   1HB   CYS  24          2HB       CYS  24  -8.141   5.392  -2.660
  160   2HB   CYS  24          1HB       CYS  24  -6.894   5.681  -3.872
  161    H    GLY  25           H        GLY  25  -5.843   1.417  -2.909
  162   1HA   GLY  25          2HA       GLY  25  -3.802   1.588  -4.845
  163   2HA   GLY  25          1HA       GLY  25  -4.670   0.105  -4.461
  164    H    SER  26           H        SER  26  -3.736   1.192  -7.091
  165    HA   SER  26           HA       SER  26  -5.832   2.235  -8.662
  166   1HB   SER  26          2HB       SER  26  -3.515   0.428  -9.258
  167   2HB   SER  26          1HB       SER  26  -4.710   0.743 -10.514
  168    HG   SER  26           HG       SER  26  -4.246   2.892 -10.412
  169    H    ASP  27           H        ASP  27  -5.642  -0.841  -7.138
  170    HA   ASP  27           HA       ASP  27  -7.532  -2.140  -8.977
  171   1HB   ASP  27          2HB       ASP  27  -7.352  -4.047  -7.461
  172   2HB   ASP  27          1HB       ASP  27  -5.739  -3.419  -7.801
  173    H    ASN  28           H        ASN  28  -8.200   0.349  -7.320
  174    HA   ASN  28           HA       ASN  28 -10.056   1.169  -6.150
  175   1HB   ASN  28          2HB       ASN  28 -10.997  -0.645  -8.032
  176   2HB   ASN  28          1HB       ASN  28 -11.742  -1.194  -6.530
  177   1HD2  ASN  28          1HD2      ASN  28 -13.788  -0.277  -6.369
  178   2HD2  ASN  28          2HD2      ASN  28 -14.171   1.330  -6.754
  179    H    LYS  29           H        LYS  29  -8.098  -0.283  -4.633
  180    HA   LYS  29           HA       LYS  29  -9.881  -1.600  -2.612
  181   1HB   LYS  29          2HB       LYS  29  -7.081  -2.241  -3.507
  182   2HB   LYS  29          1HB       LYS  29  -7.628  -2.703  -1.896
  183   1HG   LYS  29          2HG       LYS  29  -9.153  -3.395  -4.417
  184   2HG   LYS  29          1HG       LYS  29  -7.966  -4.472  -3.680
  185   1HD   LYS  29          2HD       LYS  29  -9.923  -3.399  -1.768
  186   2HD   LYS  29          1HD       LYS  29 -10.641  -4.404  -3.027
  187   1HE   LYS  29          2HE       LYS  29  -9.516  -6.301  -2.347
  188   2HE   LYS  29          1HE       LYS  29  -8.137  -5.389  -1.736
  189   1HZ   LYS  29          1HZ       LYS  29  -9.245  -6.169   0.150
  190   2HZ   LYS  29          2HZ       LYS  29 -10.778  -5.784  -0.468
  191   3HZ   LYS  29          3HZ       LYS  29  -9.722  -4.548   0.025
  192    H    THR  30           H        THR  30  -9.957  -0.629  -0.643
  193    HA   THR  30           HA       THR  30  -8.261   1.710  -0.137
  194    HB   THR  30           HB       THR  30 -10.366   0.347   1.574
  195    HG1  THR  30           1HG      THR  30 -11.636   2.051   0.881
  196   1HG2  THR  30          1HG2      THR  30 -10.055   1.955   3.187
  197   2HG2  THR  30          2HG2      THR  30  -9.482   3.155   2.028
  198   3HG2  THR  30          3HG2      THR  30  -8.403   1.872   2.575
  199    H    TYR  31           H        TYR  31  -6.410   1.686   1.085
  200    HA   TYR  31           HA       TYR  31  -5.744  -0.867   2.473
  201   1HB   TYR  31          2HB       TYR  31  -4.091   1.146   0.981
  202   2HB   TYR  31          1HB       TYR  31  -3.351   0.082   2.171
  203    HD1  TYR  31           1HD      TYR  31  -4.679   0.355  -1.178
  204    HD2  TYR  31           2HD      TYR  31  -3.641  -2.438   1.916
  205    HE1  TYR  31           1HE      TYR  31  -4.668  -1.484  -2.843
  206    HE2  TYR  31           2HE      TYR  31  -3.631  -4.277   0.252
  207    HH   TYR  31           HH       TYR  31  -4.922  -3.929  -2.879
  208    H    GLY  32           H        GLY  32  -4.202  -0.532   4.341
  209   1HA   GLY  32          2HA       GLY  32  -5.273   1.629   6.052
  210   2HA   GLY  32          1HA       GLY  32  -4.316   0.254   6.604
  211    H    ASN  33           H        ASN  33  -2.422   0.780   4.284
  212    HA   ASN  33           HA       ASN  33  -1.254   3.332   4.433
  213   1HB   ASN  33          2HB       ASN  33   0.649   2.868   6.032
  214   2HB   ASN  33          1HB       ASN  33  -0.926   3.047   6.802
  215   1HD2  ASN  33          1HD2      ASN  33  -0.060   1.712   8.621
  216   2HD2  ASN  33          2HD2      ASN  33   0.026   0.025   8.456
  217    H    LYS  34           H        LYS  34   1.070   3.289   3.693
  218    HA   LYS  34           HA       LYS  34   1.412   1.667   1.430
  219   1HB   LYS  34          2HB       LYS  34   3.835   2.366   1.574
  220   2HB   LYS  34          1HB       LYS  34   2.682   3.699   1.642
  221   1HG   LYS  34          2HG       LYS  34   2.856   3.759   4.088
  222   2HG   LYS  34          1HG       LYS  34   3.960   2.384   4.058
  223   1HD   LYS  34          2HD       LYS  34   5.694   3.783   3.752
  224   2HD   LYS  34          1HD       LYS  34   4.967   4.348   2.246
  225   1HE   LYS  34          2HE       LYS  34   4.417   5.429   5.026
  226   2HE   LYS  34          1HE       LYS  34   5.297   6.253   3.737
  227   1HZ   LYS  34          1HZ       LYS  34   2.932   5.535   2.587
  228   2HZ   LYS  34          2HZ       LYS  34   3.339   7.085   3.149
  229   3HZ   LYS  34          3HZ       LYS  34   2.478   6.015   4.149
  230    H    CYS  35           H        CYS  35   1.831   0.775   4.731
  231    HA   CYS  35           HA       CYS  35   3.863  -1.252   4.232
  232   1HB   CYS  35          2HB       CYS  35   3.452  -0.213   6.482
  233   2HB   CYS  35          1HB       CYS  35   1.903  -1.053   6.536
  234    H    ASN  36           H        ASN  36   0.338  -1.137   4.438
  235    HA   ASN  36           HA       ASN  36   0.007  -4.006   4.050
  236   1HB   ASN  36          2HB       ASN  36  -1.604  -1.877   4.905
  237   2HB   ASN  36          1HB       ASN  36  -2.285  -2.353   3.354
  238   1HD2  ASN  36          1HD2      ASN  36  -0.920  -4.058   6.238
  239   2HD2  ASN  36          2HD2      ASN  36  -2.150  -5.224   6.308
  240    H    PHE  37           H        PHE  37   0.583  -1.265   2.076
  241    HA   PHE  37           HA       PHE  37  -0.643  -2.404  -0.336
  242   1HB   PHE  37          2HB       PHE  37  -0.531   0.068   0.053
  243   2HB   PHE  37          1HB       PHE  37   1.227  -0.036  -0.062
  244    HD1  PHE  37           1HD      PHE  37   2.335  -0.217  -2.154
  245    HD2  PHE  37           2HD      PHE  37  -1.930  -0.634  -1.943
  246    HE1  PHE  37           1HE      PHE  37   2.204  -0.136  -4.623
  247    HE2  PHE  37           2HE      PHE  37  -2.065  -0.545  -4.424
  248    HZ   PHE  37           HZ       PHE  37   0.010  -0.306  -5.762
  249    H    CYS  38           H        CYS  38   2.670  -1.784   0.850
  250    HA   CYS  38           HA       CYS  38   3.998  -2.880  -1.429
  251   1HB   CYS  38          2HB       CYS  38   4.813  -2.488   1.453
  252   2HB   CYS  38          1HB       CYS  38   5.887  -3.279   0.300
  253    H    ASN  39           H        ASN  39   2.547  -4.282   1.433
  254    HA   ASN  39           HA       ASN  39   3.667  -6.938   0.981
  255   1HB   ASN  39          2HB       ASN  39   1.912  -5.652   2.937
  256   2HB   ASN  39          1HB       ASN  39   1.347  -7.263   2.494
  257   1HD2  ASN  39          1HD2      ASN  39   2.004  -7.974   4.714
  258   2HD2  ASN  39          2HD2      ASN  39   3.639  -8.293   5.039
  259    H    ALA  40           H        ALA  40   0.519  -5.379   0.427
  260    HA   ALA  40           HA       ALA  40  -0.716  -7.628  -0.845
  261   1HB   ALA  40          1HB       ALA  40  -1.173  -4.663  -1.336
  262   2HB   ALA  40          2HB       ALA  40  -2.002  -5.634  -0.120
  263   3HB   ALA  40          3HB       ALA  40  -2.258  -5.960  -1.835
  264    H    VAL  41           H        VAL  41   1.772  -5.466  -1.766
  265    HA   VAL  41           HA       VAL  41   1.503  -5.926  -4.653
  266    HB   VAL  41           HB       VAL  41   3.629  -4.572  -2.962
  267   1HG1  VAL  41          1HG1      VAL  41   3.512  -4.205  -5.918
  268   2HG1  VAL  41          2HG1      VAL  41   4.201  -5.717  -5.331
  269   3HG1  VAL  41          3HG1      VAL  41   4.905  -4.178  -4.837
  270   1HG2  VAL  41          1HG2      VAL  41   2.280  -2.951  -4.946
  271   2HG2  VAL  41          2HG2      VAL  41   2.368  -2.719  -3.199
  272   3HG2  VAL  41          3HG2      VAL  41   1.101  -3.732  -3.892
  273    H    VAL  42           H        VAL  42   3.331  -7.161  -1.901
  274    HA   VAL  42           HA       VAL  42   5.258  -8.663  -3.432
  275    HB   VAL  42           HB       VAL  42   4.175  -8.981  -0.619
  276   1HG1  VAL  42          1HG1      VAL  42   5.689 -10.853  -2.251
  277   2HG1  VAL  42          2HG1      VAL  42   5.019 -11.074  -0.636
  278   3HG1  VAL  42          3HG1      VAL  42   6.612 -10.351  -0.837
  279   1HG2  VAL  42          1HG2      VAL  42   7.020  -8.431  -1.027
  280   2HG2  VAL  42          2HG2      VAL  42   5.845  -7.568  -0.034
  281   3HG2  VAL  42          3HG2      VAL  42   5.993  -7.193  -1.751
  282    H    GLU  43           H        GLU  43   1.924  -9.155  -2.587
  283    HA   GLU  43           HA       GLU  43   2.054 -11.988  -3.497
  284   1HB   GLU  43          2HB       GLU  43  -0.240 -12.160  -2.605
  285   2HB   GLU  43          1HB       GLU  43   0.863 -11.544  -1.376
  286   1HG   GLU  43          2HG       GLU  43  -0.461  -9.743  -1.144
  287   2HG   GLU  43          1HG       GLU  43  -0.081  -9.291  -2.805
  288    H    SER  44           H        SER  44   1.310  -8.869  -4.630
  289    HA   SER  44           HA       SER  44  -0.606  -9.866  -6.664
  290   1HB   SER  44          2HB       SER  44   0.270  -7.168  -5.708
  291   2HB   SER  44          1HB       SER  44  -0.367  -7.312  -7.344
  292    HG   SER  44           HG       SER  44  -1.877  -6.940  -5.465
  293    H    ASN  45           H        ASN  45   2.727  -9.525  -6.295
  294    HA   ASN  45           HA       ASN  45   4.429  -9.969  -7.872
  295   1HB   ASN  45          2HB       ASN  45   2.330 -11.097  -9.096
  296   2HB   ASN  45          1HB       ASN  45   2.564  -9.734 -10.189
  297   1HD2  ASN  45          1HD2      ASN  45   3.255 -11.444 -11.804
  298   2HD2  ASN  45          2HD2      ASN  45   4.851 -12.022 -11.746
  299    H    GLY  46           H        GLY  46   3.047  -7.261  -7.205
  300   1HA   GLY  46          2HA       GLY  46   3.860  -5.064  -7.626
  301   2HA   GLY  46          1HA       GLY  46   4.767  -5.695  -8.999
  302    H    THR  47           H        THR  47   1.655  -6.875  -9.205
  303    HA   THR  47           HA       THR  47   1.038  -5.079 -11.430
  304    HB   THR  47           HB       THR  47  -0.974  -6.494 -11.690
  305    HG1  THR  47           1HG      THR  47  -0.791  -8.399 -10.103
  306   1HG2  THR  47          1HG2      THR  47   0.543  -7.711 -12.839
  307   2HG2  THR  47          2HG2      THR  47   0.604  -8.764 -11.424
  308   3HG2  THR  47          3HG2      THR  47   1.782  -7.465 -11.608
  309    H    LEU  48           H        LEU  48   0.717  -4.766  -8.154
  310    HA   LEU  48           HA       LEU  48  -1.898  -3.352  -8.277
  311   1HB   LEU  48          2HB       LEU  48  -1.557  -4.917  -6.407
  312   2HB   LEU  48          1HB       LEU  48  -0.102  -4.042  -5.928
  313    HG   LEU  48           HG       LEU  48  -1.489  -1.996  -5.616
  314   1HD1  LEU  48          1HD1      LEU  48  -3.589  -3.888  -6.576
  315   2HD1  LEU  48          2HD1      LEU  48  -3.406  -2.163  -6.889
  316   3HD1  LEU  48          3HD1      LEU  48  -4.046  -2.715  -5.341
  317   1HD2  LEU  48          1HD2      LEU  48  -0.991  -3.751  -3.794
  318   2HD2  LEU  48          2HD2      LEU  48  -2.657  -4.283  -4.023
  319   3HD2  LEU  48          3HD2      LEU  48  -2.322  -2.637  -3.482
  320    H    THR  49           H        THR  49  -1.932  -1.150  -8.435
  321    HA   THR  49           HA       THR  49   0.598   0.307  -7.782
  322    HB   THR  49           HB       THR  49   0.169   1.816  -9.616
  323    HG1  THR  49           1HG      THR  49  -1.745   0.956 -10.977
  324   1HG2  THR  49          1HG2      THR  49   1.315   0.160 -10.671
  325   2HG2  THR  49          2HG2      THR  49  -0.234  -0.157 -11.453
  326   3HG2  THR  49          3HG2      THR  49   0.254  -1.102 -10.046
  327    H    LEU  50           H        LEU  50  -0.700   2.846  -8.341
  328    HA   LEU  50           HA       LEU  50  -2.447   3.045  -5.936
  329   1HB   LEU  50          2HB       LEU  50  -0.830   4.386  -5.114
  330   2HB   LEU  50          1HB       LEU  50   0.053   4.307  -6.618
  331    HG   LEU  50           HG       LEU  50  -1.767   6.114  -7.376
  332   1HD1  LEU  50          1HD1      LEU  50  -2.679   7.386  -5.670
  333   2HD1  LEU  50          2HD1      LEU  50  -1.399   6.961  -4.537
  334   3HD1  LEU  50          3HD1      LEU  50  -2.685   5.808  -4.885
  335   1HD2  LEU  50          1HD2      LEU  50   0.077   7.599  -5.844
  336   2HD2  LEU  50          2HD2      LEU  50   0.226   7.143  -7.542
  337   3HD2  LEU  50          3HD2      LEU  50   0.906   6.106  -6.287
  338    H    SER  51           H        SER  51  -4.112   4.589  -6.043
  339    HA   SER  51           HA       SER  51  -4.789   5.580  -8.779
  340   1HB   SER  51          2HB       SER  51  -6.550   4.126  -8.557
  341   2HB   SER  51          1HB       SER  51  -6.397   4.053  -6.805
  342    HG   SER  51           HG       SER  51  -8.296   5.160  -7.509
  343    H    HIS  52           H        HIS  52  -4.667   6.128  -5.334
  344    HA   HIS  52           HA       HIS  52  -4.278   8.881  -5.461
  345   1HB   HIS  52          2HB       HIS  52  -6.282   9.856  -5.806
  346   2HB   HIS  52          1HB       HIS  52  -6.943   8.265  -6.156
  347    HD1  HIS  52           1HD      HIS  52  -8.517   7.241  -4.435
  348    HD2  HIS  52           2HD      HIS  52  -6.690  10.727  -3.060
  349    HE1  HIS  52           1HE      HIS  52  -9.679   7.852  -2.269
  350    H    PHE  53           H        PHE  53  -3.019   8.737  -3.652
  351    HA   PHE  53           HA       PHE  53  -3.276   7.029  -1.478
  352   1HB   PHE  53          2HB       PHE  53  -1.985   9.643  -1.928
  353   2HB   PHE  53          1HB       PHE  53  -2.332   9.282  -0.238
  354    HD1  PHE  53           1HD      PHE  53  -1.736   6.665  -2.771
  355    HD2  PHE  53           2HD      PHE  53  -0.014   8.949   0.433
  356    HE1  PHE  53           1HE      PHE  53   0.210   5.120  -2.718
  357    HE2  PHE  53           2HE      PHE  53   1.924   7.405   0.492
  358    HZ   PHE  53           HZ       PHE  53   2.034   5.492  -1.082
  359    H    GLY  54           H        GLY  54  -5.352   6.706  -0.734
  360   1HA   GLY  54          2HA       GLY  54  -6.437   8.095   1.371
  361   2HA   GLY  54          1HA       GLY  54  -7.123   8.915  -0.036
  362    H    LYS  55           H        LYS  55  -8.745   7.442   1.785
  363    HA   LYS  55           HA       LYS  55  -9.229   4.761   0.833
  364   1HB   LYS  55          2HB       LYS  55 -10.006   5.430   3.047
  365   2HB   LYS  55          1HB       LYS  55 -11.026   6.685   2.343
  366   1HG   LYS  55          2HG       LYS  55 -12.381   5.009   1.207
  367   2HG   LYS  55          1HG       LYS  55 -11.316   3.722   1.770
  368   1HD   LYS  55          2HD       LYS  55 -12.857   5.571   3.613
  369   2HD   LYS  55          1HD       LYS  55 -13.408   3.963   3.142
  370   1HE   LYS  55          2HE       LYS  55 -10.732   3.642   3.979
  371   2HE   LYS  55          1HE       LYS  55 -11.490   4.694   5.175
  372   1HZ   LYS  55          1HZ       LYS  55 -11.828   1.924   4.804
  373   2HZ   LYS  55          2HZ       LYS  55 -13.321   2.697   4.558
  374   3HZ   LYS  55          3HZ       LYS  55 -12.476   2.916   6.015
  375    H    CYS  56           H        CYS  56 -10.726   4.030  -0.692
  376    HA   CYS  56           HA       CYS  56 -11.817   6.142  -2.496
  377   1HB   CYS  56          2HB       CYS  56 -10.664   3.460  -2.909
  378   2HB   CYS  56          1HB       CYS  56 -12.131   3.764  -3.839
  Start of MODEL    9
    1   1H    ALA   3          1HT       ALA   3  -1.045   7.396 -11.250
    2   2H    ALA   3          2HT       ALA   3  -0.287   8.324 -10.046
    3   3H    ALA   3          3HT       ALA   3  -0.291   6.630  -9.939
    4    HA   ALA   3           HA       ALA   3   1.148   6.410 -11.798
    5   1HB   ALA   3          1HB       ALA   3   1.686   8.159 -13.248
    6   2HB   ALA   3          2HB       ALA   3   1.324   9.397 -12.045
    7   3HB   ALA   3          3HB       ALA   3   0.010   8.538 -12.848
    8    H    VAL   4           H        VAL   4   1.275   6.792  -8.882
    9    HA   VAL   4           HA       VAL   4   3.860   8.248  -8.596
   10    HB   VAL   4           HB       VAL   4   2.206   7.104  -6.343
   11   1HG1  VAL   4          1HG1      VAL   4   3.957   9.568  -6.416
   12   2HG1  VAL   4          2HG1      VAL   4   4.610   7.968  -6.067
   13   3HG1  VAL   4          3HG1      VAL   4   3.394   8.675  -5.004
   14   1HG2  VAL   4          1HG2      VAL   4   1.459   9.663  -6.289
   15   2HG2  VAL   4          2HG2      VAL   4   0.572   8.476  -7.246
   16   3HG2  VAL   4          3HG2      VAL   4   1.744   9.537  -8.026
   17    H    SER   5           H        SER   5   2.364   5.080  -8.281
   18    HA   SER   5           HA       SER   5   3.307   2.989  -7.719
   19   1HB   SER   5          2HB       SER   5   5.415   2.542  -8.978
   20   2HB   SER   5          1HB       SER   5   4.179   3.298  -9.980
   21    HG   SER   5           HG       SER   5   6.636   4.200  -9.262
   22    H    VAL   6           H        VAL   6   3.457   3.722  -5.403
   23    HA   VAL   6           HA       VAL   6   5.660   4.931  -4.188
   24    HB   VAL   6           HB       VAL   6   3.993   2.602  -3.192
   25   1HG1  VAL   6          1HG1      VAL   6   4.798   3.331  -0.937
   26   2HG1  VAL   6          2HG1      VAL   6   5.933   4.419  -1.733
   27   3HG1  VAL   6          3HG1      VAL   6   6.085   2.675  -1.949
   28   1HG2  VAL   6          1HG2      VAL   6   3.686   5.254  -1.976
   29   2HG2  VAL   6          2HG2      VAL   6   2.451   4.154  -2.595
   30   3HG2  VAL   6          3HG2      VAL   6   3.298   5.240  -3.697
   31    H    ASP   7           H        ASP   7   7.673   4.162  -3.406
   32    HA   ASP   7           HA       ASP   7   8.846   1.997  -4.966
   33   1HB   ASP   7          2HB       ASP   7  10.242   3.899  -4.433
   34   2HB   ASP   7          1HB       ASP   7   9.927   3.709  -2.709
   35    H    CYS   8           H        CYS   8   7.918   0.031  -4.363
   36    HA   CYS   8           HA       CYS   8   7.990  -0.685  -1.472
   37   1HB   CYS   8          2HB       CYS   8   6.635  -2.084  -3.799
   38   2HB   CYS   8          1HB       CYS   8   6.502  -2.543  -2.101
   39    H    SER   9           H        SER   9  10.417  -0.575  -3.075
   40    HA   SER   9           HA       SER   9  11.150  -3.262  -3.879
   41   1HB   SER   9          2HB       SER   9  12.282  -1.250  -4.780
   42   2HB   SER   9          1HB       SER   9  12.908  -0.890  -3.173
   43    HG   SER   9           HG       SER   9  13.838  -3.076  -3.287
   44    H    GLU  10           H        GLU  10  11.017  -1.578  -0.867
   45    HA   GLU  10           HA       GLU  10  12.918  -3.392   0.463
   46   1HB   GLU  10          2HB       GLU  10  12.045  -2.128   2.538
   47   2HB   GLU  10          1HB       GLU  10  12.950  -1.192   1.349
   48   1HG   GLU  10          2HG       GLU  10  10.084  -1.329   0.752
   49   2HG   GLU  10          1HG       GLU  10  10.431  -0.553   2.297
   50    H    TYR  11           H        TYR  11  10.041  -4.020  -0.740
   51    HA   TYR  11           HA       TYR  11   9.042  -5.457   1.681
   52   1HB   TYR  11          2HB       TYR  11   7.645  -4.441  -0.798
   53   2HB   TYR  11          1HB       TYR  11   6.895  -5.624   0.274
   54    HD1  TYR  11           1HD      TYR  11   5.797  -4.925   2.239
   55    HD2  TYR  11           2HD      TYR  11   8.537  -2.268   0.275
   56    HE1  TYR  11           1HE      TYR  11   5.140  -3.104   3.790
   57    HE2  TYR  11           2HE      TYR  11   7.881  -0.443   1.824
   58    HH   TYR  11           HH       TYR  11   6.781  -0.571   4.445
   59    HA   PRO  12           HA       PRO  12   7.156  -6.865   1.620
   60   1HB   PRO  12          2HB       PRO  12   7.143  -9.347   2.806
   61   2HB   PRO  12          1HB       PRO  12   6.220  -8.948   1.345
   62   1HG   PRO  12          2HG       PRO  12   8.734 -10.537   1.604
   63   2HG   PRO  12          1HG       PRO  12   7.456 -10.646   0.380
   64   1HD   PRO  12          2HD       PRO  12   9.955  -9.383   0.030
   65   2HD   PRO  12          1HD       PRO  12   8.533  -9.174  -1.016
   66    H    LYS  13           H        LYS  13   7.314  -6.394   3.858
   67    HA   LYS  13           HA       LYS  13  10.076  -6.475   4.930
   68   1HB   LYS  13          2HB       LYS  13   7.882  -5.154   6.456
   69   2HB   LYS  13          1HB       LYS  13   9.532  -4.609   6.163
   70   1HG   LYS  13          2HG       LYS  13   8.243  -4.654   3.631
   71   2HG   LYS  13          1HG       LYS  13   7.133  -3.876   4.757
   72   1HD   LYS  13          2HD       LYS  13  10.025  -3.128   4.262
   73   2HD   LYS  13          1HD       LYS  13   8.604  -2.193   3.798
   74   1HE   LYS  13          2HE       LYS  13   8.414  -1.292   5.855
   75   2HE   LYS  13          1HE       LYS  13   8.569  -2.867   6.633
   76   1HZ   LYS  13          1HZ       LYS  13  10.929  -2.740   6.473
   77   2HZ   LYS  13          2HZ       LYS  13  10.381  -1.294   7.176
   78   3HZ   LYS  13          3HZ       LYS  13  10.856  -1.322   5.545
   79    HA   PRO  14           HA       PRO  14   9.157  -9.470   7.999
   80   1HB   PRO  14          2HB       PRO  14  10.422  -8.456  10.219
   81   2HB   PRO  14          1HB       PRO  14  11.279  -9.163   8.838
   82   1HG   PRO  14          2HG       PRO  14  11.008  -6.297   9.610
   83   2HG   PRO  14          1HG       PRO  14  12.282  -7.090   8.668
   84   1HD   PRO  14          2HD       PRO  14  10.155  -5.535   7.621
   85   2HD   PRO  14          1HD       PRO  14  11.253  -6.574   6.687
   86    H    ALA  15           H        ALA  15   7.933  -6.293   8.428
   87    HA   ALA  15           HA       ALA  15   5.665  -7.244   9.943
   88   1HB   ALA  15          1HB       ALA  15   6.065  -6.357  12.071
   89   2HB   ALA  15          2HB       ALA  15   7.336  -5.281  11.491
   90   3HB   ALA  15          3HB       ALA  15   7.644  -7.012  11.642
   91    H    CYS  16           H        CYS  16   4.491  -5.096  10.882
   92    HA   CYS  16           HA       CYS  16   4.812  -2.957   8.821
   93   1HB   CYS  16          2HB       CYS  16   2.323  -4.378   9.748
   94   2HB   CYS  16          1HB       CYS  16   2.227  -2.728   9.134
   95    H    THR  17           H        THR  17   3.753  -0.873   9.563
   96    HA   THR  17           HA       THR  17   4.371  -0.477  12.440
   97    HB   THR  17           HB       THR  17   3.887   2.017  11.571
   98    HG1  THR  17           1HG      THR  17   3.308   1.439   9.502
   99   1HG2  THR  17          1HG2      THR  17   6.045   0.839  12.425
  100   2HG2  THR  17          2HG2      THR  17   6.215   2.292  11.438
  101   3HG2  THR  17          3HG2      THR  17   6.454   0.700  10.716
  102    H    MET  18           H        MET  18   2.824   1.336  13.423
  103    HA   MET  18           HA       MET  18   0.119   0.197  13.258
  104   1HB   MET  18          2HB       MET  18   1.651   1.750  15.179
  105   2HB   MET  18          1HB       MET  18   0.047   2.445  14.932
  106   1HG   MET  18          2HG       MET  18  -0.447  -0.286  15.039
  107   2HG   MET  18          1HG       MET  18   0.805  -0.052  16.259
  108   1HE   MET  18          1HE       MET  18  -2.505  -0.829  16.410
  109   2HE   MET  18          2HE       MET  18  -2.724  -0.231  18.053
  110   3HE   MET  18          3HE       MET  18  -1.256  -1.111  17.631
  111    H    GLU  19           H        GLU  19   1.570   2.118  11.199
  112    HA   GLU  19           HA       GLU  19   0.179   4.557  11.034
  113   1HB   GLU  19          2HB       GLU  19   2.075   3.665   9.533
  114   2HB   GLU  19          1HB       GLU  19   0.803   2.870   8.605
  115   1HG   GLU  19          2HG       GLU  19   0.075   4.821   7.696
  116   2HG   GLU  19          1HG       GLU  19   0.262   5.704   9.212
  117    H    TYR  20           H        TYR  20  -1.702   5.141   9.710
  118    HA   TYR  20           HA       TYR  20  -3.556   2.898   9.101
  119   1HB   TYR  20          2HB       TYR  20  -3.937   3.938  11.442
  120   2HB   TYR  20          1HB       TYR  20  -4.524   5.347  10.557
  121    HD1  TYR  20           1HD      TYR  20  -4.850   1.662   9.936
  122    HD2  TYR  20           2HD      TYR  20  -6.857   5.392  10.649
  123    HE1  TYR  20           1HE      TYR  20  -7.041   0.548   9.597
  124    HE2  TYR  20           2HE      TYR  20  -9.046   4.278  10.310
  125    HH   TYR  20           HH       TYR  20  -9.584   1.706   8.798
  126    H    ARG  21           H        ARG  21  -2.015   4.621   7.405
  127    HA   ARG  21           HA       ARG  21  -3.800   6.672   6.338
  128   1HB   ARG  21          2HB       ARG  21  -1.096   5.592   5.615
  129   2HB   ARG  21          1HB       ARG  21  -1.988   6.537   4.421
  130   1HG   ARG  21          2HG       ARG  21  -1.611   7.523   7.250
  131   2HG   ARG  21          1HG       ARG  21  -0.408   7.834   5.996
  132   1HD   ARG  21          2HD       ARG  21  -3.203   8.413   5.222
  133   2HD   ARG  21          1HD       ARG  21  -2.543   9.458   6.480
  134    HE   ARG  21           HE       ARG  21  -0.559   9.391   4.533
  135   1HH1  ARG  21          1HH1      ARG  21  -3.784   9.305   3.663
  136   2HH1  ARG  21          2HH1      ARG  21  -3.792  10.826   2.833
  137   1HH2  ARG  21          1HH2      ARG  21  -0.611  11.720   3.894
  138   2HH2  ARG  21          2HH2      ARG  21  -1.995  12.194   2.966
  139    HA   PRO  22           HA       PRO  22  -5.924   3.691   3.798
  140   1HB   PRO  22          2HB       PRO  22  -7.628   5.503   2.630
  141   2HB   PRO  22          1HB       PRO  22  -7.858   4.857   4.264
  142   1HG   PRO  22          2HG       PRO  22  -6.912   7.558   3.433
  143   2HG   PRO  22          1HG       PRO  22  -7.732   7.066   4.923
  144   1HD   PRO  22          2HD       PRO  22  -4.958   7.565   4.639
  145   2HD   PRO  22          1HD       PRO  22  -5.743   6.774   6.023
  146    H    LEU  23           H        LEU  23  -4.871   2.951   1.989
  147    HA   LEU  23           HA       LEU  23  -4.144   4.943  -0.121
  148   1HB   LEU  23          2HB       LEU  23  -2.777   2.444   0.850
  149   2HB   LEU  23          1HB       LEU  23  -2.500   3.027  -0.795
  150    HG   LEU  23           HG       LEU  23  -2.346   5.225   1.078
  151   1HD1  LEU  23          1HD1      LEU  23  -0.018   4.167   1.921
  152   2HD1  LEU  23          2HD1      LEU  23  -0.972   2.688   1.811
  153   3HD1  LEU  23          3HD1      LEU  23  -1.514   4.012   2.842
  154   1HD2  LEU  23          1HD2      LEU  23  -1.313   5.446  -1.040
  155   2HD2  LEU  23          2HD2      LEU  23  -0.530   3.870  -0.919
  156   3HD2  LEU  23          3HD2      LEU  23   0.042   5.216   0.064
  157    H    CYS  24           H        CYS  24  -5.471   4.743  -1.885
  158    HA   CYS  24           HA       CYS  24  -6.881   2.171  -2.285
  159   1HB   CYS  24          2HB       CYS  24  -7.429   4.936  -2.935
  160   2HB   CYS  24          1HB       CYS  24  -7.539   3.938  -4.383
  161    H    GLY  25           H        GLY  25  -5.316   0.775  -3.136
  162   1HA   GLY  25          2HA       GLY  25  -3.351   1.458  -5.062
  163   2HA   GLY  25          1HA       GLY  25  -3.952  -0.175  -4.783
  164    H    SER  26           H        SER  26  -3.325   0.892  -7.370
  165    HA   SER  26           HA       SER  26  -5.406   1.949  -8.890
  166   1HB   SER  26          2HB       SER  26  -3.439   1.612 -10.090
  167   2HB   SER  26          1HB       SER  26  -3.237  -0.033  -9.491
  168    HG   SER  26           HG       SER  26  -4.897  -0.694 -10.821
  169    H    ASP  27           H        ASP  27  -5.342  -1.124  -7.308
  170    HA   ASP  27           HA       ASP  27  -7.423  -2.304  -9.016
  171   1HB   ASP  27          2HB       ASP  27  -7.280  -4.215  -7.542
  172   2HB   ASP  27          1HB       ASP  27  -5.637  -3.663  -7.866
  173    H    ASN  28           H        ASN  28  -7.848   0.251  -7.409
  174    HA   ASN  28           HA       ASN  28  -9.527   1.215  -6.090
  175   1HB   ASN  28          2HB       ASN  28 -10.718  -0.335  -8.031
  176   2HB   ASN  28          1HB       ASN  28 -11.452  -0.964  -6.555
  177   1HD2  ASN  28          1HD2      ASN  28 -13.351   0.258  -7.887
  178   2HD2  ASN  28          2HD2      ASN  28 -13.621   1.860  -7.394
  179    H    LYS  29           H        LYS  29  -7.717  -0.413  -4.664
  180    HA   LYS  29           HA       LYS  29  -9.553  -1.655  -2.647
  181   1HB   LYS  29          2HB       LYS  29  -8.068  -3.285  -3.850
  182   2HB   LYS  29          1HB       LYS  29  -6.673  -2.424  -3.196
  183   1HG   LYS  29          2HG       LYS  29  -6.895  -3.966  -1.519
  184   2HG   LYS  29          1HG       LYS  29  -8.062  -2.787  -0.919
  185   1HD   LYS  29          2HD       LYS  29  -9.868  -4.006  -2.132
  186   2HD   LYS  29          1HD       LYS  29  -8.687  -5.226  -2.609
  187   1HE   LYS  29          2HE       LYS  29  -8.678  -4.640   0.273
  188   2HE   LYS  29          1HE       LYS  29 -10.199  -5.317  -0.308
  189   1HZ   LYS  29          1HZ       LYS  29  -9.214  -7.285  -0.287
  190   2HZ   LYS  29          2HZ       LYS  29  -7.701  -6.600   0.070
  191   3HZ   LYS  29          3HZ       LYS  29  -8.205  -6.762  -1.545
  192    H    THR  30           H        THR  30  -9.531  -0.606  -0.701
  193    HA   THR  30           HA       THR  30  -7.568   1.514  -0.228
  194    HB   THR  30           HB       THR  30  -9.664   0.419   1.669
  195    HG1  THR  30           1HG      THR  30 -10.053   1.567  -0.615
  196   1HG2  THR  30          1HG2      THR  30  -8.061   2.984   1.552
  197   2HG2  THR  30          2HG2      THR  30  -8.029   1.759   2.820
  198   3HG2  THR  30          3HG2      THR  30  -9.463   2.761   2.600
  199    H    TYR  31           H        TYR  31  -5.970   1.511   1.427
  200    HA   TYR  31           HA       TYR  31  -5.398  -1.167   2.611
  201   1HB   TYR  31          2HB       TYR  31  -3.611   0.825   1.251
  202   2HB   TYR  31          1HB       TYR  31  -2.957  -0.276   2.459
  203    HD1  TYR  31           1HD      TYR  31  -3.714   0.106  -0.961
  204    HD2  TYR  31           2HD      TYR  31  -3.731  -2.810   2.192
  205    HE1  TYR  31           1HE      TYR  31  -3.710  -1.713  -2.645
  206    HE2  TYR  31           2HE      TYR  31  -3.724  -4.630   0.507
  207    HH   TYR  31           HH       TYR  31  -4.545  -4.783  -2.028
  208    H    GLY  32           H        GLY  32  -3.998  -1.003   4.583
  209   1HA   GLY  32          2HA       GLY  32  -5.076   1.070   6.358
  210   2HA   GLY  32          1HA       GLY  32  -4.058  -0.285   6.845
  211    H    ASN  33           H        ASN  33  -2.181   0.482   4.549
  212    HA   ASN  33           HA       ASN  33  -1.143   3.076   4.917
  213   1HB   ASN  33          2HB       ASN  33   0.844   2.477   6.411
  214   2HB   ASN  33          1HB       ASN  33  -0.715   2.634   7.222
  215   1HD2  ASN  33          1HD2      ASN  33   0.085   1.146   8.932
  216   2HD2  ASN  33          2HD2      ASN  33   0.154  -0.525   8.639
  217    H    LYS  34           H        LYS  34   1.284   3.119   4.296
  218    HA   LYS  34           HA       LYS  34   1.631   1.857   1.802
  219   1HB   LYS  34          2HB       LYS  34   2.941   3.801   2.318
  220   2HB   LYS  34          1HB       LYS  34   3.663   3.013   3.723
  221   1HG   LYS  34          2HG       LYS  34   4.996   1.600   2.406
  222   2HG   LYS  34          1HG       LYS  34   3.970   1.798   0.986
  223   1HD   LYS  34          2HD       LYS  34   5.930   3.094   0.554
  224   2HD   LYS  34          1HD       LYS  34   4.671   4.252   0.985
  225   1HE   LYS  34          2HE       LYS  34   6.122   5.035   2.533
  226   2HE   LYS  34          1HE       LYS  34   5.772   3.564   3.440
  227   1HZ   LYS  34          1HZ       LYS  34   8.104   3.688   3.182
  228   2HZ   LYS  34          2HZ       LYS  34   7.984   4.024   1.521
  229   3HZ   LYS  34          3HZ       LYS  34   7.572   2.486   2.112
  230    H    CYS  35           H        CYS  35   1.980   0.468   4.936
  231    HA   CYS  35           HA       CYS  35   3.954  -1.526   4.115
  232   1HB   CYS  35          2HB       CYS  35   3.542  -0.683   6.500
  233   2HB   CYS  35          1HB       CYS  35   2.094  -1.686   6.484
  234    H    ASN  36           H        ASN  36   0.441  -1.327   4.493
  235    HA   ASN  36           HA       ASN  36   0.039  -4.119   3.705
  236   1HB   ASN  36          2HB       ASN  36  -1.484  -2.215   5.048
  237   2HB   ASN  36          1HB       ASN  36  -2.261  -2.318   3.470
  238   1HD2  ASN  36          1HD2      ASN  36  -0.971  -4.509   6.033
  239   2HD2  ASN  36          2HD2      ASN  36  -2.167  -5.695   5.826
  240    H    PHE  37           H        PHE  37   0.482  -1.071   2.201
  241    HA   PHE  37           HA       PHE  37  -0.884  -1.730  -0.303
  242   1HB   PHE  37          2HB       PHE  37  -0.705   0.609   0.412
  243   2HB   PHE  37          1HB       PHE  37   1.053   0.485   0.449
  244    HD1  PHE  37           1HD      PHE  37   2.348   0.787  -1.510
  245    HD2  PHE  37           2HD      PHE  37  -1.906   0.280  -1.812
  246    HE1  PHE  37           1HE      PHE  37   2.448   1.388  -3.913
  247    HE2  PHE  37           2HE      PHE  37  -1.805   0.879  -4.216
  248    HZ   PHE  37           HZ       PHE  37   0.372   1.435  -5.266
  249    H    CYS  38           H        CYS  38   2.480  -1.533   0.851
  250    HA   CYS  38           HA       CYS  38   3.570  -2.416  -1.700
  251   1HB   CYS  38          2HB       CYS  38   4.756  -2.097   1.067
  252   2HB   CYS  38          1HB       CYS  38   5.690  -2.678  -0.310
  253    H    ASN  39           H        ASN  39   2.537  -3.940   1.292
  254    HA   ASN  39           HA       ASN  39   3.763  -6.507   0.676
  255   1HB   ASN  39          2HB       ASN  39   1.973  -5.416   2.773
  256   2HB   ASN  39          1HB       ASN  39   1.774  -7.134   2.426
  257   1HD2  ASN  39          1HD2      ASN  39   3.015  -5.837   4.852
  258   2HD2  ASN  39          2HD2      ASN  39   4.585  -6.474   4.943
  259    H    ALA  40           H        ALA  40   0.514  -5.111   0.350
  260    HA   ALA  40           HA       ALA  40  -0.741  -7.446  -0.718
  261   1HB   ALA  40          1HB       ALA  40  -1.893  -5.298  -2.076
  262   2HB   ALA  40          2HB       ALA  40  -1.339  -4.582  -0.564
  263   3HB   ALA  40          3HB       ALA  40  -2.447  -5.954  -0.535
  264    H    VAL  41           H        VAL  41   1.361  -4.997  -2.029
  265    HA   VAL  41           HA       VAL  41   1.045  -5.744  -4.816
  266    HB   VAL  41           HB       VAL  41   3.193  -4.208  -3.324
  267   1HG1  VAL  41          1HG1      VAL  41   4.031  -3.554  -5.552
  268   2HG1  VAL  41          2HG1      VAL  41   2.851  -4.622  -6.311
  269   3HG1  VAL  41          3HG1      VAL  41   4.147  -5.298  -5.325
  270   1HG2  VAL  41          1HG2      VAL  41   1.947  -2.359  -3.761
  271   2HG2  VAL  41          2HG2      VAL  41   0.622  -3.489  -4.039
  272   3HG2  VAL  41          3HG2      VAL  41   1.574  -2.895  -5.400
  273    H    VAL  42           H        VAL  42   3.078  -6.756  -2.128
  274    HA   VAL  42           HA       VAL  42   4.975  -8.262  -3.693
  275    HB   VAL  42           HB       VAL  42   4.088  -8.425  -0.802
  276   1HG1  VAL  42          1HG1      VAL  42   6.501  -9.762  -0.979
  277   2HG1  VAL  42          2HG1      VAL  42   5.640 -10.326  -2.411
  278   3HG1  VAL  42          3HG1      VAL  42   4.922 -10.529  -0.814
  279   1HG2  VAL  42          1HG2      VAL  42   6.071  -6.930  -2.330
  280   2HG2  VAL  42          2HG2      VAL  42   6.817  -7.846  -1.021
  281   3HG2  VAL  42          3HG2      VAL  42   5.532  -6.689  -0.669
  282    H    GLU  43           H        GLU  43   1.819  -8.961  -2.290
  283    HA   GLU  43           HA       GLU  43   1.958 -11.801  -3.034
  284   1HB   GLU  43          2HB       GLU  43  -0.392 -10.140  -2.067
  285   2HB   GLU  43          1HB       GLU  43  -0.348 -11.899  -2.186
  286   1HG   GLU  43          2HG       GLU  43   1.762 -10.476  -0.590
  287   2HG   GLU  43          1HG       GLU  43   0.168 -10.744   0.120
  288    H    SER  44           H        SER  44   1.188  -8.861  -4.570
  289    HA   SER  44           HA       SER  44  -0.675 -10.086  -6.505
  290   1HB   SER  44          2HB       SER  44  -0.720  -7.629  -5.592
  291   2HB   SER  44          1HB       SER  44   0.536  -7.346  -6.796
  292    HG   SER  44           HG       SER  44  -2.103  -8.310  -7.189
  293    H    ASN  45           H        ASN  45   2.615 -10.090  -6.085
  294    HA   ASN  45           HA       ASN  45   4.299 -10.860  -7.544
  295   1HB   ASN  45          2HB       ASN  45   2.270 -11.993  -8.700
  296   2HB   ASN  45          1HB       ASN  45   2.351 -10.647  -9.837
  297   1HD2  ASN  45          1HD2      ASN  45   4.980 -12.516  -8.218
  298   2HD2  ASN  45          2HD2      ASN  45   5.747 -12.966  -9.662
  299    H    GLY  46           H        GLY  46   2.883  -7.940  -7.435
  300   1HA   GLY  46          2HA       GLY  46   4.122  -5.911  -7.918
  301   2HA   GLY  46          1HA       GLY  46   4.947  -6.762  -9.225
  302    H    THR  47           H        THR  47   1.546  -7.267  -8.995
  303    HA   THR  47           HA       THR  47   1.189  -5.622 -11.453
  304    HB   THR  47           HB       THR  47  -0.731  -6.988 -11.930
  305    HG1  THR  47           1HG      THR  47  -0.504  -8.577  -9.692
  306   1HG2  THR  47          1HG2      THR  47   1.176  -8.985 -10.741
  307   2HG2  THR  47          2HG2      THR  47   1.688  -7.967 -12.087
  308   3HG2  THR  47          3HG2      THR  47   0.313  -9.053 -12.278
  309    H    LEU  48           H        LEU  48   0.895  -5.145  -8.252
  310    HA   LEU  48           HA       LEU  48  -1.693  -3.674  -8.478
  311   1HB   LEU  48          2HB       LEU  48  -1.398  -5.369  -6.618
  312   2HB   LEU  48          1HB       LEU  48  -0.150  -4.316  -5.952
  313    HG   LEU  48           HG       LEU  48  -2.766  -3.061  -6.635
  314   1HD1  LEU  48          1HD1      LEU  48  -2.351  -5.154  -4.537
  315   2HD1  LEU  48          2HD1      LEU  48  -3.791  -4.789  -5.487
  316   3HD1  LEU  48          3HD1      LEU  48  -3.346  -3.755  -4.129
  317   1HD2  LEU  48          1HD2      LEU  48  -2.010  -1.453  -5.212
  318   2HD2  LEU  48          2HD2      LEU  48  -0.445  -2.241  -5.415
  319   3HD2  LEU  48          3HD2      LEU  48  -1.459  -2.635  -4.026
  320    H    THR  49           H        THR  49  -1.659  -1.463  -8.410
  321    HA   THR  49           HA       THR  49   0.924  -0.155  -7.650
  322    HB   THR  49           HB       THR  49   0.875   1.208  -9.513
  323    HG1  THR  49           1HG      THR  49  -1.030   1.816 -10.515
  324   1HG2  THR  49          1HG2      THR  49   0.346  -0.107 -11.466
  325   2HG2  THR  49          2HG2      THR  49  -0.785  -1.103 -10.549
  326   3HG2  THR  49          3HG2      THR  49   0.946  -1.209 -10.226
  327    H    LEU  50           H        LEU  50  -0.189   2.468  -8.074
  328    HA   LEU  50           HA       LEU  50  -2.173   2.598  -5.839
  329   1HB   LEU  50          2HB       LEU  50   0.061   3.393  -5.120
  330   2HB   LEU  50          1HB       LEU  50   0.055   4.566  -6.438
  331    HG   LEU  50           HG       LEU  50  -2.351   5.101  -5.284
  332   1HD1  LEU  50          1HD1      LEU  50  -2.033   3.544  -3.443
  333   2HD1  LEU  50          2HD1      LEU  50  -1.904   5.186  -2.815
  334   3HD1  LEU  50          3HD1      LEU  50  -0.448   4.231  -3.088
  335   1HD2  LEU  50          1HD2      LEU  50  -0.223   6.515  -3.894
  336   2HD2  LEU  50          2HD2      LEU  50  -1.364   7.123  -5.091
  337   3HD2  LEU  50          3HD2      LEU  50   0.134   6.350  -5.612
  338    H    SER  51           H        SER  51  -3.891   4.013  -6.161
  339    HA   SER  51           HA       SER  51  -3.970   5.363  -8.824
  340   1HB   SER  51          2HB       SER  51  -6.574   5.284  -8.109
  341   2HB   SER  51          1HB       SER  51  -5.794   3.989  -9.014
  342    HG   SER  51           HG       SER  51  -6.075   2.748  -7.352
  343    H    HIS  52           H        HIS  52  -4.418   5.717  -5.357
  344    HA   HIS  52           HA       HIS  52  -3.951   8.507  -5.412
  345   1HB   HIS  52          2HB       HIS  52  -6.200   9.401  -4.958
  346   2HB   HIS  52          1HB       HIS  52  -6.150   8.621  -6.538
  347    HD1  HIS  52           1HD      HIS  52  -7.655   8.323  -3.139
  348    HD2  HIS  52           2HD      HIS  52  -7.522   6.096  -6.661
  349    HE1  HIS  52           1HE      HIS  52  -9.426   6.526  -2.917
  350    H    PHE  53           H        PHE  53  -2.889   8.446  -3.515
  351    HA   PHE  53           HA       PHE  53  -3.184   6.798  -1.322
  352   1HB   PHE  53          2HB       PHE  53  -2.588   9.773  -1.266
  353   2HB   PHE  53          1HB       PHE  53  -2.239   8.640   0.032
  354    HD1  PHE  53           1HD      PHE  53  -1.329   9.695  -3.384
  355    HD2  PHE  53           2HD      PHE  53  -0.422   7.036  -0.135
  356    HE1  PHE  53           1HE      PHE  53   0.845   9.138  -4.445
  357    HE2  PHE  53           2HE      PHE  53   1.748   6.475  -1.198
  358    HZ   PHE  53           HZ       PHE  53   2.383   7.529  -3.351
  359    H    GLY  54           H        GLY  54  -5.297   6.291  -0.666
  360   1HA   GLY  54          2HA       GLY  54  -6.656   7.599   1.274
  361   2HA   GLY  54          1HA       GLY  54  -7.225   8.460  -0.157
  362    H    LYS  55           H        LYS  55  -8.742   6.678   1.684
  363    HA   LYS  55           HA       LYS  55  -9.237   4.161   0.371
  364   1HB   LYS  55          2HB       LYS  55  -9.897   4.638   2.726
  365   2HB   LYS  55          1HB       LYS  55 -11.090   5.796   2.141
  366   1HG   LYS  55          2HG       LYS  55 -11.582   3.453   0.674
  367   2HG   LYS  55          1HG       LYS  55 -11.289   2.905   2.323
  368   1HD   LYS  55          2HD       LYS  55 -13.288   5.009   1.448
  369   2HD   LYS  55          1HD       LYS  55 -13.657   3.401   2.073
  370   1HE   LYS  55          2HE       LYS  55 -12.247   5.612   3.595
  371   2HE   LYS  55          1HE       LYS  55 -13.907   5.081   3.849
  372   1HZ   LYS  55          1HZ       LYS  55 -11.520   3.340   4.135
  373   2HZ   LYS  55          2HZ       LYS  55 -13.127   2.923   4.492
  374   3HZ   LYS  55          3HZ       LYS  55 -12.322   4.090   5.427
  375    H    CYS  56           H        CYS  56 -10.979   3.619  -1.062
  376    HA   CYS  56           HA       CYS  56 -11.733   5.823  -2.847
  377   1HB   CYS  56          2HB       CYS  56 -12.245   2.838  -2.923
  378   2HB   CYS  56          1HB       CYS  56 -12.830   3.956  -4.157
  Start of MODEL   10
    1   1H    ALA   3          1HT       ALA   3   8.408  -0.442  -7.622
    2   2H    ALA   3          2HT       ALA   3   7.601   0.820  -8.423
    3   3H    ALA   3          3HT       ALA   3   8.008  -0.600  -9.264
    4    HA   ALA   3           HA       ALA   3   6.162  -1.628  -8.642
    5   1HB   ALA   3          1HB       ALA   3   5.463  -1.510  -6.165
    6   2HB   ALA   3          2HB       ALA   3   6.957  -0.609  -5.912
    7   3HB   ALA   3          3HB       ALA   3   7.018  -2.263  -6.519
    8    H    VAL   4           H        VAL   4   5.773   1.030  -6.309
    9    HA   VAL   4           HA       VAL   4   3.783   2.267  -8.146
   10    HB   VAL   4           HB       VAL   4   2.691   2.594  -5.593
   11   1HG1  VAL   4          1HG1      VAL   4   1.054   2.279  -7.129
   12   2HG1  VAL   4          2HG1      VAL   4   1.218   0.570  -6.721
   13   3HG1  VAL   4          3HG1      VAL   4   2.064   1.228  -8.122
   14   1HG2  VAL   4          1HG2      VAL   4   2.455   0.312  -4.725
   15   2HG2  VAL   4          2HG2      VAL   4   4.160   0.753  -4.788
   16   3HG2  VAL   4          3HG2      VAL   4   3.477  -0.308  -6.021
   17    H    SER   5           H        SER   5   2.890   4.254  -6.428
   18    HA   SER   5           HA       SER   5   5.307   5.945  -6.266
   19   1HB   SER   5          2HB       SER   5   2.931   6.578  -7.224
   20   2HB   SER   5          1HB       SER   5   2.545   6.873  -5.530
   21    HG   SER   5           HG       SER   5   4.234   8.233  -7.258
   22    H    VAL   6           H        VAL   6   4.890   3.759  -4.330
   23    HA   VAL   6           HA       VAL   6   4.519   5.340  -1.821
   24    HB   VAL   6           HB       VAL   6   2.954   3.533  -1.866
   25   1HG1  VAL   6          1HG1      VAL   6   5.310   1.949  -2.892
   26   2HG1  VAL   6          2HG1      VAL   6   3.732   2.177  -3.646
   27   3HG1  VAL   6          3HG1      VAL   6   3.888   1.152  -2.219
   28   1HG2  VAL   6          1HG2      VAL   6   4.253   3.774   0.261
   29   2HG2  VAL   6          2HG2      VAL   6   5.375   2.545  -0.323
   30   3HG2  VAL   6          3HG2      VAL   6   3.692   2.125  -0.011
   31    H    ASP   7           H        ASP   7   5.982   4.546   0.012
   32    HA   ASP   7           HA       ASP   7   8.730   4.294  -1.057
   33   1HB   ASP   7          2HB       ASP   7   7.686   5.781   0.999
   34   2HB   ASP   7          1HB       ASP   7   8.368   4.407   1.862
   35    H    CYS   8           H        CYS   8   8.208   1.980  -1.693
   36    HA   CYS   8           HA       CYS   8   8.014   0.080   0.554
   37   1HB   CYS   8          2HB       CYS   8   8.393  -0.479  -2.405
   38   2HB   CYS   8          1HB       CYS   8   7.912  -1.640  -1.167
   39    H    SER   9           H        SER   9  10.217   1.379   1.101
   40    HA   SER   9           HA       SER   9  12.665   1.099  -0.025
   41   1HB   SER   9          2HB       SER   9  12.152   0.273   2.843
   42   2HB   SER   9          1HB       SER   9  13.656   0.906   2.181
   43    HG   SER   9           HG       SER   9  12.367   2.803   1.599
   44    H    GLU  10           H        GLU  10  11.828  -1.489   2.296
   45    HA   GLU  10           HA       GLU  10  12.820  -3.456   0.283
   46   1HB   GLU  10          2HB       GLU  10  13.888  -4.655   2.292
   47   2HB   GLU  10          1HB       GLU  10  14.697  -3.196   1.717
   48   1HG   GLU  10          2HG       GLU  10  14.318  -2.109   3.659
   49   2HG   GLU  10          1HG       GLU  10  12.622  -2.601   3.684
   50    H    TYR  11           H        TYR  11  10.454  -3.801   0.035
   51    HA   TYR  11           HA       TYR  11   9.157  -5.164   2.336
   52   1HB   TYR  11          2HB       TYR  11   8.214  -3.825  -0.151
   53   2HB   TYR  11          1HB       TYR  11   7.257  -5.195   0.413
   54    HD1  TYR  11           1HD      TYR  11   5.743  -4.936   2.210
   55    HD2  TYR  11           2HD      TYR  11   8.812  -1.998   1.570
   56    HE1  TYR  11           1HE      TYR  11   4.743  -3.506   3.972
   57    HE2  TYR  11           2HE      TYR  11   7.811  -0.567   3.329
   58    HH   TYR  11           HH       TYR  11   6.356  -0.903   5.360
   59    HA   PRO  12           HA       PRO  12   7.020  -6.242   1.906
   60   1HB   PRO  12          2HB       PRO  12   6.273  -8.662   2.973
   61   2HB   PRO  12          1HB       PRO  12   5.783  -8.108   1.363
   62   1HG   PRO  12          2HG       PRO  12   7.810 -10.165   2.101
   63   2HG   PRO  12          1HG       PRO  12   6.855 -10.015   0.617
   64   1HD   PRO  12          2HD       PRO  12   9.570  -9.271   0.927
   65   2HD   PRO  12          1HD       PRO  12   8.517  -8.838  -0.435
   66    H    LYS  13           H        LYS  13   6.423  -6.633   4.348
   67    HA   LYS  13           HA       LYS  13   8.969  -6.906   5.897
   68   1HB   LYS  13          2HB       LYS  13   6.637  -5.014   6.200
   69   2HB   LYS  13          1HB       LYS  13   7.724  -5.346   7.547
   70   1HG   LYS  13          2HG       LYS  13   9.637  -4.574   6.276
   71   2HG   LYS  13          1HG       LYS  13   8.652  -4.402   4.821
   72   1HD   LYS  13          2HD       LYS  13   7.826  -2.400   5.482
   73   2HD   LYS  13          1HD       LYS  13   7.569  -2.957   7.135
   74   1HE   LYS  13          2HE       LYS  13   9.344  -1.702   7.730
   75   2HE   LYS  13          1HE       LYS  13  10.351  -2.858   6.859
   76   1HZ   LYS  13          1HZ       LYS  13   9.964  -1.551   4.830
   77   2HZ   LYS  13          2HZ       LYS  13  10.760  -0.655   6.035
   78   3HZ   LYS  13          3HZ       LYS  13   9.106  -0.406   5.739
   79    HA   PRO  14           HA       PRO  14   6.972  -9.945   8.345
   80   1HB   PRO  14          2HB       PRO  14   8.166  -9.489  10.779
   81   2HB   PRO  14          1HB       PRO  14   8.989 -10.260   9.413
   82   1HG   PRO  14          2HG       PRO  14   9.308  -7.493  10.479
   83   2HG   PRO  14          1HG       PRO  14  10.472  -8.498   9.599
   84   1HD   PRO  14          2HD       PRO  14   8.955  -6.380   8.498
   85   2HD   PRO  14          1HD       PRO  14   9.852  -7.607   7.579
   86    H    ALA  15           H        ALA  15   6.587  -6.604   9.121
   87    HA   ALA  15           HA       ALA  15   4.011  -7.181  10.410
   88   1HB   ALA  15          1HB       ALA  15   6.404  -6.419  11.939
   89   2HB   ALA  15          2HB       ALA  15   4.880  -7.107  12.502
   90   3HB   ALA  15          3HB       ALA  15   5.016  -5.370  12.231
   91    H    CYS  16           H        CYS  16   3.068  -4.887  11.154
   92    HA   CYS  16           HA       CYS  16   3.757  -2.951   8.980
   93   1HB   CYS  16          2HB       CYS  16   1.079  -3.621  10.223
   94   2HB   CYS  16          1HB       CYS  16   1.339  -2.209   9.201
   95    H    THR  17           H        THR  17   2.984  -0.655   9.616
   96    HA   THR  17           HA       THR  17   3.978  -0.145  12.375
   97    HB   THR  17           HB       THR  17   4.300   2.182  11.560
   98    HG1  THR  17           1HG      THR  17   2.771   1.196   9.535
   99   1HG2  THR  17          1HG2      THR  17   6.308   1.631  10.648
  100   2HG2  THR  17          2HG2      THR  17   5.572   0.628   9.398
  101   3HG2  THR  17          3HG2      THR  17   5.819  -0.023  11.018
  102    H    MET  18           H        MET  18   2.906   1.856  13.426
  103    HA   MET  18           HA       MET  18  -0.012   1.403  13.394
  104   1HB   MET  18          2HB       MET  18   1.966   2.465  15.288
  105   2HB   MET  18          1HB       MET  18   0.474   3.405  15.237
  106   1HG   MET  18          2HG       MET  18  -0.177   0.605  15.178
  107   2HG   MET  18          1HG       MET  18   0.906   0.918  16.535
  108   1HE   MET  18          1HE       MET  18  -3.182   0.907  17.230
  109   2HE   MET  18          2HE       MET  18  -1.834  -0.186  16.930
  110   3HE   MET  18          3HE       MET  18  -2.621   0.622  15.577
  111    H    GLU  19           H        GLU  19   1.781   3.031  11.374
  112    HA   GLU  19           HA       GLU  19   0.710   5.731  11.552
  113   1HB   GLU  19          2HB       GLU  19   2.798   5.525  10.425
  114   2HB   GLU  19          1HB       GLU  19   2.212   4.201   9.419
  115   1HG   GLU  19          2HG       GLU  19   0.766   5.674   8.182
  116   2HG   GLU  19          1HG       GLU  19   1.061   6.999   9.308
  117    H    TYR  20           H        TYR  20  -1.400   6.163  11.121
  118    HA   TYR  20           HA       TYR  20  -3.017   4.291   9.555
  119   1HB   TYR  20          2HB       TYR  20  -3.636   5.946  11.590
  120   2HB   TYR  20          1HB       TYR  20  -4.077   6.982  10.235
  121    HD1  TYR  20           1HD      TYR  20  -4.952   4.983   8.231
  122    HD2  TYR  20           2HD      TYR  20  -5.709   5.202  12.453
  123    HE1  TYR  20           1HE      TYR  20  -7.050   3.697   7.922
  124    HE2  TYR  20           2HE      TYR  20  -7.805   3.915  12.144
  125    HH   TYR  20           HH       TYR  20  -8.788   2.358  10.544
  126    H    ARG  21           H        ARG  21  -2.973   4.348   7.391
  127    HA   ARG  21           HA       ARG  21  -3.156   6.932   5.983
  128   1HB   ARG  21          2HB       ARG  21  -0.653   5.895   6.360
  129   2HB   ARG  21          1HB       ARG  21  -1.100   5.161   4.819
  130   1HG   ARG  21          2HG       ARG  21  -0.583   7.110   3.818
  131   2HG   ARG  21          1HG       ARG  21  -1.955   7.839   4.652
  132   1HD   ARG  21          2HD       ARG  21  -0.635   8.852   6.219
  133   2HD   ARG  21          1HD       ARG  21   0.505   7.507   6.275
  134    HE   ARG  21           HE       ARG  21   0.803   8.771   3.755
  135   1HH1  ARG  21          1HH2      ARG  21   2.900   8.271   5.965
  136   2HH1  ARG  21          2HH2      ARG  21   3.447   9.889   6.251
  137   1HH2  ARG  21          1HH1      ARG  21   0.774  11.366   4.608
  138   2HH2  ARG  21          2HH1      ARG  21   2.244  11.640   5.482
  139    HA   PRO  22           HA       PRO  22  -5.703   3.851   3.890
  140   1HB   PRO  22          2HB       PRO  22  -7.428   5.711   2.830
  141   2HB   PRO  22          1HB       PRO  22  -7.570   5.067   4.473
  142   1HG   PRO  22          2HG       PRO  22  -6.603   7.744   3.582
  143   2HG   PRO  22          1HG       PRO  22  -7.344   7.273   5.121
  144   1HD   PRO  22          2HD       PRO  22  -4.581   7.698   4.671
  145   2HD   PRO  22          1HD       PRO  22  -5.300   6.912   6.094
  146    H    LEU  23           H        LEU  23  -4.809   3.060   2.017
  147    HA   LEU  23           HA       LEU  23  -4.120   5.025  -0.140
  148   1HB   LEU  23          2HB       LEU  23  -2.959   2.254   0.281
  149   2HB   LEU  23          1HB       LEU  23  -2.440   3.438  -0.913
  150    HG   LEU  23           HG       LEU  23  -2.290   3.767   2.098
  151   1HD1  LEU  23          1HD1      LEU  23   0.247   3.975   1.205
  152   2HD1  LEU  23          2HD1      LEU  23  -0.395   2.870  -0.012
  153   3HD1  LEU  23          3HD1      LEU  23  -0.463   2.439   1.697
  154   1HD2  LEU  23          1HD2      LEU  23  -0.706   5.678   0.767
  155   2HD2  LEU  23          2HD2      LEU  23  -2.206   5.977   1.645
  156   3HD2  LEU  23          3HD2      LEU  23  -2.247   5.672  -0.092
  157    H    CYS  24           H        CYS  24  -5.296   4.836  -2.003
  158    HA   CYS  24           HA       CYS  24  -7.200   2.589  -2.230
  159   1HB   CYS  24          2HB       CYS  24  -7.800   5.020  -2.742
  160   2HB   CYS  24          1HB       CYS  24  -6.810   4.864  -4.189
  161    H    GLY  25           H        GLY  25  -5.730   0.835  -2.779
  162   1HA   GLY  25          2HA       GLY  25  -3.673   0.825  -4.650
  163   2HA   GLY  25          1HA       GLY  25  -4.752  -0.555  -4.423
  164    H    SER  26           H        SER  26  -3.571   0.623  -6.951
  165    HA   SER  26           HA       SER  26  -5.455   2.048  -8.474
  166   1HB   SER  26          2HB       SER  26  -3.509   1.764  -9.661
  167   2HB   SER  26          1HB       SER  26  -3.277   0.119  -9.077
  168    HG   SER  26           HG       SER  26  -4.411  -0.614 -10.703
  169    H    ASP  27           H        ASP  27  -5.731  -1.172  -7.256
  170    HA   ASP  27           HA       ASP  27  -7.709  -1.952  -9.301
  171   1HB   ASP  27          2HB       ASP  27  -7.718  -4.093  -8.282
  172   2HB   ASP  27          1HB       ASP  27  -6.042  -3.556  -8.195
  173    H    ASN  28           H        ASN  28  -8.122   0.320  -7.324
  174    HA   ASN  28           HA       ASN  28  -9.967   1.216  -6.182
  175   1HB   ASN  28          2HB       ASN  28 -11.086  -0.142  -8.167
  176   2HB   ASN  28          1HB       ASN  28 -11.617  -1.192  -6.852
  177   1HD2  ASN  28          1HD2      ASN  28 -11.650   1.209  -4.955
  178   2HD2  ASN  28          2HD2      ASN  28 -13.072   2.042  -5.352
  179    H    LYS  29           H        LYS  29  -8.091  -0.523  -4.781
  180    HA   LYS  29           HA       LYS  29  -9.931  -1.794  -2.791
  181   1HB   LYS  29          2HB       LYS  29  -7.123  -2.408  -3.654
  182   2HB   LYS  29          1HB       LYS  29  -7.652  -2.855  -2.034
  183   1HG   LYS  29          2HG       LYS  29  -9.174  -3.605  -4.542
  184   2HG   LYS  29          1HG       LYS  29  -7.981  -4.658  -3.779
  185   1HD   LYS  29          2HD       LYS  29  -9.328  -5.111  -1.976
  186   2HD   LYS  29          1HD       LYS  29 -10.081  -3.516  -2.005
  187   1HE   LYS  29          2HE       LYS  29 -11.845  -4.386  -3.094
  188   2HE   LYS  29          1HE       LYS  29 -10.785  -4.826  -4.432
  189   1HZ   LYS  29          1HZ       LYS  29 -11.527  -6.448  -2.073
  190   2HZ   LYS  29          2HZ       LYS  29 -10.182  -6.832  -3.038
  191   3HZ   LYS  29          3HZ       LYS  29 -11.739  -6.820  -3.715
  192    H    THR  30           H        THR  30  -9.556  -1.357  -0.550
  193    HA   THR  30           HA       THR  30  -8.166   1.231  -0.097
  194    HB   THR  30           HB       THR  30 -10.210  -0.306   1.525
  195    HG1  THR  30           1HG      THR  30 -11.503   1.350   0.959
  196   1HG2  THR  30          1HG2      THR  30  -9.968   2.080   2.795
  197   2HG2  THR  30          2HG2      THR  30  -8.296   1.821   2.296
  198   3HG2  THR  30          3HG2      THR  30  -9.112   0.623   3.301
  199    H    TYR  31           H        TYR  31  -6.375   1.355   1.211
  200    HA   TYR  31           HA       TYR  31  -5.414  -1.196   2.421
  201   1HB   TYR  31          2HB       TYR  31  -4.021   1.072   1.053
  202   2HB   TYR  31          1HB       TYR  31  -3.150   0.053   2.188
  203    HD1  TYR  31           1HD      TYR  31  -3.972   0.441  -1.186
  204    HD2  TYR  31           2HD      TYR  31  -3.668  -2.584   1.850
  205    HE1  TYR  31           1HE      TYR  31  -3.746  -1.297  -2.939
  206    HE2  TYR  31           2HE      TYR  31  -3.442  -4.320   0.095
  207    HH   TYR  31           HH       TYR  31  -3.710  -3.498  -3.348
  208    H    GLY  32           H        GLY  32  -4.019  -0.863   4.352
  209   1HA   GLY  32          2HA       GLY  32  -5.265   1.164   6.115
  210   2HA   GLY  32          1HA       GLY  32  -4.304  -0.214   6.651
  211    H    ASN  33           H        ASN  33  -2.276   0.536   4.463
  212    HA   ASN  33           HA       ASN  33  -1.226   3.109   4.904
  213   1HB   ASN  33          2HB       ASN  33   0.566   2.638   6.582
  214   2HB   ASN  33          1HB       ASN  33  -1.052   2.565   7.271
  215   1HD2  ASN  33          1HD2      ASN  33   0.645   1.194   8.797
  216   2HD2  ASN  33          2HD2      ASN  33   0.582  -0.479   8.520
  217    H    LYS  34           H        LYS  34   1.354   2.972   4.722
  218    HA   LYS  34           HA       LYS  34   1.954   1.878   2.191
  219   1HB   LYS  34          2HB       LYS  34   3.623   2.876   4.482
  220   2HB   LYS  34          1HB       LYS  34   4.407   2.124   3.093
  221   1HG   LYS  34          2HG       LYS  34   3.005   3.735   1.652
  222   2HG   LYS  34          1HG       LYS  34   2.697   4.612   3.152
  223   1HD   LYS  34          2HD       LYS  34   5.530   3.889   2.625
  224   2HD   LYS  34          1HD       LYS  34   4.832   5.118   1.568
  225   1HE   LYS  34          2HE       LYS  34   4.328   6.555   3.383
  226   2HE   LYS  34          1HE       LYS  34   4.527   5.266   4.568
  227   1HZ   LYS  34          1HZ       LYS  34   6.430   7.073   3.800
  228   2HZ   LYS  34          2HZ       LYS  34   6.878   5.644   2.998
  229   3HZ   LYS  34          3HZ       LYS  34   6.697   5.652   4.687
  230    H    CYS  35           H        CYS  35   1.854   0.326   5.295
  231    HA   CYS  35           HA       CYS  35   3.687  -1.826   4.555
  232   1HB   CYS  35          2HB       CYS  35   3.350  -1.285   6.922
  233   2HB   CYS  35          1HB       CYS  35   1.630  -1.655   6.778
  234    H    ASN  36           H        ASN  36   0.182  -1.334   4.564
  235    HA   ASN  36           HA       ASN  36  -0.334  -4.057   3.623
  236   1HB   ASN  36          2HB       ASN  36  -1.826  -2.061   4.884
  237   2HB   ASN  36          1HB       ASN  36  -2.491  -2.136   3.255
  238   1HD2  ASN  36          1HD2      ASN  36  -1.576  -4.293   5.988
  239   2HD2  ASN  36          2HD2      ASN  36  -2.774  -5.454   5.673
  240    H    PHE  37           H        PHE  37   0.644  -1.118   2.234
  241    HA   PHE  37           HA       PHE  37  -0.620  -1.642  -0.383
  242   1HB   PHE  37          2HB       PHE  37  -0.331   0.689   0.573
  243   2HB   PHE  37          1HB       PHE  37   1.406   0.494   0.334
  244    HD1  PHE  37           1HD      PHE  37   2.034   1.826  -1.490
  245    HD2  PHE  37           2HD      PHE  37  -1.516  -0.579  -1.749
  246    HE1  PHE  37           1HE      PHE  37   1.782   2.453  -3.876
  247    HE2  PHE  37           2HE      PHE  37  -1.769   0.051  -4.135
  248    HZ   PHE  37           HZ       PHE  37  -0.119   1.567  -5.198
  249    H    CYS  38           H        CYS  38   2.682  -1.435   0.967
  250    HA   CYS  38           HA       CYS  38   3.947  -2.306  -1.479
  251   1HB   CYS  38          2HB       CYS  38   4.941  -2.329   1.385
  252   2HB   CYS  38          1HB       CYS  38   5.949  -2.630  -0.030
  253    H    ASN  39           H        ASN  39   2.543  -3.939   1.284
  254    HA   ASN  39           HA       ASN  39   3.737  -6.525   0.631
  255   1HB   ASN  39          2HB       ASN  39   1.903  -5.456   2.683
  256   2HB   ASN  39          1HB       ASN  39   1.549  -7.112   2.189
  257   1HD2  ASN  39          1HD2      ASN  39   2.715  -8.669   3.319
  258   2HD2  ASN  39          2HD2      ASN  39   4.221  -8.413   4.060
  259    H    ALA  40           H        ALA  40   0.545  -5.011   0.209
  260    HA   ALA  40           HA       ALA  40  -0.713  -7.211  -1.092
  261   1HB   ALA  40          1HB       ALA  40  -1.176  -4.345  -1.928
  262   2HB   ALA  40          2HB       ALA  40  -1.726  -4.922  -0.355
  263   3HB   ALA  40          3HB       ALA  40  -2.345  -5.663  -1.832
  264    H    VAL  41           H        VAL  41   1.674  -4.911  -2.071
  265    HA   VAL  41           HA       VAL  41   1.474  -5.389  -4.929
  266    HB   VAL  41           HB       VAL  41   3.549  -4.116  -3.139
  267   1HG1  VAL  41          1HG1      VAL  41   5.061  -4.702  -4.740
  268   2HG1  VAL  41          2HG1      VAL  41   4.308  -3.401  -5.660
  269   3HG1  VAL  41          3HG1      VAL  41   3.809  -5.072  -5.927
  270   1HG2  VAL  41          1HG2      VAL  41   2.247  -2.747  -5.439
  271   2HG2  VAL  41          2HG2      VAL  41   2.647  -2.123  -3.839
  272   3HG2  VAL  41          3HG2      VAL  41   1.216  -3.130  -4.061
  273    H    VAL  42           H        VAL  42   3.367  -6.738  -2.252
  274    HA   VAL  42           HA       VAL  42   4.984  -8.402  -4.041
  275    HB   VAL  42           HB       VAL  42   4.611  -8.493  -1.031
  276   1HG1  VAL  42          1HG1      VAL  42   6.188 -10.110  -2.966
  277   2HG1  VAL  42          2HG1      VAL  42   5.546 -10.558  -1.387
  278   3HG1  VAL  42          3HG1      VAL  42   7.029  -9.609  -1.498
  279   1HG2  VAL  42          1HG2      VAL  42   5.758  -6.522  -1.256
  280   2HG2  VAL  42          2HG2      VAL  42   6.316  -6.917  -2.883
  281   3HG2  VAL  42          3HG2      VAL  42   7.137  -7.599  -1.478
  282    H    GLU  43           H        GLU  43   1.829  -8.578  -2.824
  283    HA   GLU  43           HA       GLU  43   1.801 -11.553  -2.899
  284   1HB   GLU  43          2HB       GLU  43  -0.414  -9.635  -2.113
  285   2HB   GLU  43          1HB       GLU  43  -0.411 -11.385  -1.891
  286   1HG   GLU  43          2HG       GLU  43   1.989 -10.277  -0.749
  287   2HG   GLU  43          1HG       GLU  43   0.585  -9.423  -0.105
  288    H    SER  44           H        SER  44   0.825  -8.751  -4.710
  289    HA   SER  44           HA       SER  44  -1.047 -10.291  -6.390
  290   1HB   SER  44          2HB       SER  44  -1.081  -7.706  -5.706
  291   2HB   SER  44          1HB       SER  44  -0.101  -7.565  -7.160
  292    HG   SER  44           HG       SER  44  -1.957  -9.117  -7.920
  293    H    ASN  45           H        ASN  45   2.215 -10.212  -6.193
  294    HA   ASN  45           HA       ASN  45   3.822 -11.050  -7.705
  295   1HB   ASN  45          2HB       ASN  45   1.399 -11.802  -8.887
  296   2HB   ASN  45          1HB       ASN  45   2.260 -10.929 -10.154
  297   1HD2  ASN  45          1HD2      ASN  45   4.797 -11.594 -10.125
  298   2HD2  ASN  45          2HD2      ASN  45   5.072 -13.270 -10.062
  299    H    GLY  46           H        GLY  46   2.527  -8.117  -7.539
  300   1HA   GLY  46          2HA       GLY  46   3.787  -6.138  -8.159
  301   2HA   GLY  46          1HA       GLY  46   4.436  -7.023  -9.539
  302    H    THR  47           H        THR  47   1.191  -7.748  -9.378
  303    HA   THR  47           HA       THR  47   0.625  -5.935 -11.628
  304    HB   THR  47           HB       THR  47  -1.725  -7.332 -10.876
  305    HG1  THR  47           1HG      THR  47  -0.916  -9.441 -10.762
  306   1HG2  THR  47          1HG2      THR  47   0.308  -7.399 -13.055
  307   2HG2  THR  47          2HG2      THR  47  -1.431  -7.125 -13.148
  308   3HG2  THR  47          3HG2      THR  47  -0.805  -8.762 -12.942
  309    H    LEU  48           H        LEU  48   0.765  -5.294  -8.520
  310    HA   LEU  48           HA       LEU  48  -1.886  -3.977  -8.255
  311   1HB   LEU  48          2HB       LEU  48  -0.148  -5.184  -6.417
  312   2HB   LEU  48          1HB       LEU  48  -0.003  -3.454  -6.102
  313    HG   LEU  48           HG       LEU  48  -2.485  -3.295  -6.007
  314   1HD1  LEU  48          1HD1      LEU  48  -3.034  -5.207  -7.431
  315   2HD1  LEU  48          2HD1      LEU  48  -3.763  -5.430  -5.841
  316   3HD1  LEU  48          3HD1      LEU  48  -2.298  -6.311  -6.270
  317   1HD2  LEU  48          1HD2      LEU  48  -0.791  -4.848  -4.155
  318   2HD2  LEU  48          2HD2      LEU  48  -2.523  -5.108  -3.950
  319   3HD2  LEU  48          3HD2      LEU  48  -1.855  -3.481  -3.829
  320    H    THR  49           H        THR  49  -1.925  -1.666  -7.630
  321    HA   THR  49           HA       THR  49   0.487  -0.117  -8.312
  322    HB   THR  49           HB       THR  49  -1.556   1.161  -9.709
  323    HG1  THR  49           1HG      THR  49  -1.350  -1.589 -10.345
  324   1HG2  THR  49          1HG2      THR  49   0.288   1.443 -10.954
  325   2HG2  THR  49          2HG2      THR  49   0.104  -0.215 -11.527
  326   3HG2  THR  49          3HG2      THR  49   1.091   0.122 -10.105
  327    H    LEU  50           H        LEU  50  -0.819   2.370  -8.536
  328    HA   LEU  50           HA       LEU  50  -2.191   2.639  -5.896
  329   1HB   LEU  50          2HB       LEU  50  -0.011   3.424  -5.420
  330   2HB   LEU  50          1HB       LEU  50   0.161   4.178  -7.004
  331    HG   LEU  50           HG       LEU  50  -1.605   5.815  -6.399
  332   1HD1  LEU  50          1HD1      LEU  50  -2.446   5.915  -4.120
  333   2HD1  LEU  50          2HD1      LEU  50  -1.414   4.569  -3.640
  334   3HD1  LEU  50          3HD1      LEU  50  -2.750   4.300  -4.759
  335   1HD2  LEU  50          1HD2      LEU  50   0.438   6.794  -5.961
  336   2HD2  LEU  50          2HD2      LEU  50   0.941   5.503  -4.870
  337   3HD2  LEU  50          3HD2      LEU  50  -0.184   6.740  -4.311
  338    H    SER  51           H        SER  51  -4.203   3.343  -6.407
  339    HA   SER  51           HA       SER  51  -4.688   4.886  -8.846
  340   1HB   SER  51          2HB       SER  51  -6.691   3.881  -8.638
  341   2HB   SER  51          1HB       SER  51  -6.242   3.265  -7.053
  342    HG   SER  51           HG       SER  51  -7.465   5.729  -7.724
  343    H    HIS  52           H        HIS  52  -4.651   5.475  -5.336
  344    HA   HIS  52           HA       HIS  52  -3.915   8.178  -5.592
  345   1HB   HIS  52          2HB       HIS  52  -5.817   9.426  -5.767
  346   2HB   HIS  52          1HB       HIS  52  -6.477   7.965  -6.489
  347    HD1  HIS  52           1HD      HIS  52  -8.217   6.643  -5.135
  348    HD2  HIS  52           2HD      HIS  52  -6.664   9.907  -3.060
  349    HE1  HIS  52           1HE      HIS  52  -9.655   6.928  -3.069
  350    H    PHE  53           H        PHE  53  -2.764   8.148  -3.754
  351    HA   PHE  53           HA       PHE  53  -3.086   6.644  -1.454
  352   1HB   PHE  53          2HB       PHE  53  -1.965   9.385  -1.948
  353   2HB   PHE  53          1HB       PHE  53  -2.093   8.798  -0.296
  354    HD1  PHE  53           1HD      PHE  53  -1.731   5.976  -2.369
  355    HD2  PHE  53           2HD      PHE  53   0.529   9.233  -0.709
  356    HE1  PHE  53           1HE      PHE  53   0.357   4.680  -2.669
  357    HE2  PHE  53           2HE      PHE  53   2.617   7.933  -1.012
  358    HZ   PHE  53           HZ       PHE  53   2.532   5.657  -1.992
  359    H    GLY  54           H        GLY  54  -5.223   6.384  -0.779
  360   1HA   GLY  54          2HA       GLY  54  -6.327   7.926   1.202
  361   2HA   GLY  54          1HA       GLY  54  -6.949   8.686  -0.267
  362    H    LYS  55           H        LYS  55  -8.341   7.031   1.861
  363    HA   LYS  55           HA       LYS  55  -8.998   4.456   0.936
  364   1HB   LYS  55          2HB       LYS  55 -11.142   4.746   2.142
  365   2HB   LYS  55          1HB       LYS  55  -9.790   5.362   3.095
  366   1HG   LYS  55          2HG       LYS  55 -10.305   7.634   2.518
  367   2HG   LYS  55          1HG       LYS  55 -11.469   7.122   1.294
  368   1HD   LYS  55          2HD       LYS  55 -12.954   6.232   2.984
  369   2HD   LYS  55          1HD       LYS  55 -11.757   6.515   4.249
  370   1HE   LYS  55          2HE       LYS  55 -11.946   8.898   4.009
  371   2HE   LYS  55          1HE       LYS  55 -12.910   8.732   2.540
  372   1HZ   LYS  55          1HZ       LYS  55 -14.527   7.460   4.009
  373   2HZ   LYS  55          2HZ       LYS  55 -14.454   9.146   4.213
  374   3HZ   LYS  55          3HZ       LYS  55 -13.683   8.118   5.325
  375    H    CYS  56           H        CYS  56 -10.406   3.668  -0.623
  376    HA   CYS  56           HA       CYS  56 -11.061   5.451  -2.821
  377   1HB   CYS  56          2HB       CYS  56 -12.194   2.678  -2.494
  378   2HB   CYS  56          1HB       CYS  56 -11.735   3.518  -3.977
  Start of MODEL   11
    1   1H    ALA   3          1HT       ALA   3   5.135   1.680   0.944
    2   2H    ALA   3          2HT       ALA   3   5.388   3.291   1.418
    3   3H    ALA   3          3HT       ALA   3   5.880   2.770  -0.121
    4    HA   ALA   3           HA       ALA   3   3.053   2.482   0.579
    5   1HB   ALA   3          1HB       ALA   3   3.976   4.835   1.232
    6   2HB   ALA   3          2HB       ALA   3   2.531   4.746   0.225
    7   3HB   ALA   3          3HB       ALA   3   4.098   5.089  -0.509
    8    H    VAL   4           H        VAL   4   2.230   3.911  -1.732
    9    HA   VAL   4           HA       VAL   4   3.151   2.013  -3.804
   10    HB   VAL   4           HB       VAL   4   0.708   2.509  -3.485
   11   1HG1  VAL   4          1HG1      VAL   4   0.882   5.049  -4.943
   12   2HG1  VAL   4          2HG1      VAL   4   1.568   5.126  -3.320
   13   3HG1  VAL   4          3HG1      VAL   4  -0.107   4.622  -3.547
   14   1HG2  VAL   4          1HG2      VAL   4   2.036   1.976  -5.759
   15   2HG2  VAL   4          2HG2      VAL   4   1.389   3.556  -6.196
   16   3HG2  VAL   4          3HG2      VAL   4   0.296   2.250  -5.743
   17    H    SER   5           H        SER   5   3.527   3.018  -6.063
   18    HA   SER   5           HA       SER   5   4.981   4.346  -7.351
   19   1HB   SER   5          2HB       SER   5   3.138   5.938  -7.163
   20   2HB   SER   5          1HB       SER   5   3.696   6.445  -5.571
   21    HG   SER   5           HG       SER   5   4.321   7.681  -7.609
   22    H    VAL   6           H        VAL   6   5.842   3.241  -4.673
   23    HA   VAL   6           HA       VAL   6   8.262   4.952  -4.375
   24    HB   VAL   6           HB       VAL   6   6.340   4.032  -2.248
   25   1HG1  VAL   6          1HG1      VAL   6   8.070   4.386  -0.536
   26   2HG1  VAL   6          2HG1      VAL   6   9.273   4.667  -1.794
   27   3HG1  VAL   6          3HG1      VAL   6   8.537   3.073  -1.618
   28   1HG2  VAL   6          1HG2      VAL   6   6.020   6.288  -2.716
   29   2HG2  VAL   6          2HG2      VAL   6   7.724   6.560  -3.082
   30   3HG2  VAL   6          3HG2      VAL   6   7.198   6.381  -1.408
   31    H    ASP   7           H        ASP   7  10.015   3.654  -3.172
   32    HA   ASP   7           HA       ASP   7  10.285   1.069  -4.474
   33   1HB   ASP   7          2HB       ASP   7  12.061   2.928  -3.536
   34   2HB   ASP   7          1HB       ASP   7  12.133   1.712  -2.262
   35    H    CYS   8           H        CYS   8   8.941  -0.528  -3.682
   36    HA   CYS   8           HA       CYS   8   8.492  -0.764  -0.774
   37   1HB   CYS   8          2HB       CYS   8   7.489  -2.386  -3.131
   38   2HB   CYS   8          1HB       CYS   8   7.072  -2.731  -1.455
   39    H    SER   9           H        SER   9  11.168  -1.287  -2.195
   40    HA   SER   9           HA       SER   9  11.743  -4.073  -2.146
   41   1HB   SER   9          2HB       SER   9  14.114  -3.360  -1.905
   42   2HB   SER   9          1HB       SER   9  13.272  -2.459  -3.163
   43    HG   SER   9           HG       SER   9  14.223  -1.641  -0.683
   44    H    GLU  10           H        GLU  10  10.986  -1.972   0.427
   45    HA   GLU  10           HA       GLU  10  12.534  -3.470   2.436
   46   1HB   GLU  10          2HB       GLU  10  11.020  -0.965   2.343
   47   2HB   GLU  10          1HB       GLU  10  10.686  -1.901   3.799
   48   1HG   GLU  10          2HG       GLU  10  13.273  -2.181   3.930
   49   2HG   GLU  10          1HG       GLU  10  13.315  -0.803   2.828
   50    H    TYR  11           H        TYR  11  10.625  -4.991   0.858
   51    HA   TYR  11           HA       TYR  11   8.900  -5.950   3.085
   52   1HB   TYR  11          2HB       TYR  11   8.040  -5.273   0.267
   53   2HB   TYR  11          1HB       TYR  11   7.105  -6.355   1.297
   54    HD1  TYR  11           1HD      TYR  11   5.580  -5.476   2.861
   55    HD2  TYR  11           2HD      TYR  11   8.672  -2.964   1.251
   56    HE1  TYR  11           1HE      TYR  11   4.584  -3.509   4.007
   57    HE2  TYR  11           2HE      TYR  11   7.678  -1.003   2.391
   58    HH   TYR  11           HH       TYR  11   5.518  -0.300   3.286
   59    HA   PRO  12           HA       PRO  12   7.126  -7.406   2.794
   60   1HB   PRO  12          2HB       PRO  12   6.835  -9.794   4.115
   61   2HB   PRO  12          1HB       PRO  12   6.258  -9.512   2.463
   62   1HG   PRO  12          2HG       PRO  12   8.630 -11.071   3.384
   63   2HG   PRO  12          1HG       PRO  12   7.671 -11.255   1.906
   64   1HD   PRO  12          2HD       PRO  12  10.200  -9.996   2.093
   65   2HD   PRO  12          1HD       PRO  12   9.088  -9.903   0.712
   66    H    LYS  13           H        LYS  13   6.758  -6.888   5.027
   67    HA   LYS  13           HA       LYS  13   9.239  -6.946   6.670
   68   1HB   LYS  13          2HB       LYS  13   6.735  -5.275   7.036
   69   2HB   LYS  13          1HB       LYS  13   8.257  -5.088   7.910
   70   1HG   LYS  13          2HG       LYS  13   9.395  -4.668   5.710
   71   2HG   LYS  13          1HG       LYS  13   7.809  -4.678   4.941
   72   1HD   LYS  13          2HD       LYS  13   7.760  -2.460   5.393
   73   2HD   LYS  13          1HD       LYS  13   7.441  -2.943   7.060
   74   1HE   LYS  13          2HE       LYS  13  10.155  -3.205   6.962
   75   2HE   LYS  13          1HE       LYS  13   9.909  -1.855   5.853
   76   1HZ   LYS  13          1HZ       LYS  13  10.183  -1.157   8.183
   77   2HZ   LYS  13          2HZ       LYS  13   8.772  -2.012   8.590
   78   3HZ   LYS  13          3HZ       LYS  13   8.690  -0.687   7.531
   79    HA   PRO  14           HA       PRO  14   7.186  -9.947   9.221
   80   1HB   PRO  14          2HB       PRO  14   9.140 -10.068  11.150
   81   2HB   PRO  14          1HB       PRO  14   9.268 -10.873   9.577
   82   1HG   PRO  14          2HG       PRO  14  10.644  -8.412  10.542
   83   2HG   PRO  14          1HG       PRO  14  11.158  -9.573   9.307
   84   1HD   PRO  14          2HD       PRO  14  10.010  -7.027   8.821
   85   2HD   PRO  14          1HD       PRO  14  10.231  -8.321   7.625
   86    H    ALA  15           H        ALA  15   7.460  -6.721   9.800
   87    HA   ALA  15           HA       ALA  15   5.652  -6.809  12.082
   88   1HB   ALA  15          1HB       ALA  15   7.855  -7.097  13.203
   89   2HB   ALA  15          2HB       ALA  15   7.089  -5.567  13.634
   90   3HB   ALA  15          3HB       ALA  15   8.407  -5.596  12.462
   91    H    CYS  16           H        CYS  16   4.433  -4.923  12.115
   92    HA   CYS  16           HA       CYS  16   5.448  -2.641  10.482
   93   1HB   CYS  16          2HB       CYS  16   2.890  -4.168  10.187
   94   2HB   CYS  16          1HB       CYS  16   2.861  -2.428   9.892
   95    H    THR  17           H        THR  17   3.564  -0.789  10.838
   96    HA   THR  17           HA       THR  17   3.203  -0.623  13.805
   97    HB   THR  17           HB       THR  17   3.296   1.990  12.784
   98    HG1  THR  17           1HG      THR  17   4.250   1.343  10.913
   99   1HG2  THR  17          1HG2      THR  17   5.846   1.068  13.821
  100   2HG2  THR  17          2HG2      THR  17   4.506   0.432  14.773
  101   3HG2  THR  17          3HG2      THR  17   4.682   2.173  14.549
  102    H    MET  18           H        MET  18   1.528   1.247  14.267
  103    HA   MET  18           HA       MET  18  -0.902   0.566  12.734
  104   1HB   MET  18          2HB       MET  18  -0.809   0.716  15.283
  105   2HB   MET  18          1HB       MET  18  -0.667   2.462  15.086
  106   1HG   MET  18          2HG       MET  18  -2.801   1.650  13.415
  107   2HG   MET  18          1HG       MET  18  -3.034   0.820  14.954
  108   1HE   MET  18          1HE       MET  18  -4.608   3.214  17.109
  109   2HE   MET  18          2HE       MET  18  -3.793   1.662  16.932
  110   3HE   MET  18          3HE       MET  18  -5.145   2.065  15.877
  111    H    GLU  19           H        GLU  19   1.418   2.369  11.795
  112    HA   GLU  19           HA       GLU  19   0.850   5.056  11.629
  113   1HB   GLU  19          2HB       GLU  19   2.697   3.749  10.433
  114   2HB   GLU  19          1HB       GLU  19   1.514   3.433   9.166
  115   1HG   GLU  19          2HG       GLU  19   2.504   5.380   8.368
  116   2HG   GLU  19          1HG       GLU  19   1.145   6.042   9.277
  117    H    TYR  20           H        TYR  20  -0.891   6.231  10.968
  118    HA   TYR  20           HA       TYR  20  -3.080   4.817   9.569
  119   1HB   TYR  20          2HB       TYR  20  -3.109   6.682  11.560
  120   2HB   TYR  20          1HB       TYR  20  -3.378   7.691  10.142
  121    HD1  TYR  20           1HD      TYR  20  -5.319   7.295   8.660
  122    HD2  TYR  20           2HD      TYR  20  -4.749   5.056  12.282
  123    HE1  TYR  20           1HE      TYR  20  -7.679   6.536   8.562
  124    HE2  TYR  20           2HE      TYR  20  -7.109   4.298  12.185
  125    HH   TYR  20           HH       TYR  20  -9.414   5.712  10.161
  126    H    ARG  21           H        ARG  21  -2.773   4.725   7.431
  127    HA   ARG  21           HA       ARG  21  -2.461   7.240   5.922
  128   1HB   ARG  21          2HB       ARG  21  -0.552   4.899   5.623
  129   2HB   ARG  21          1HB       ARG  21  -0.623   6.287   4.536
  130   1HG   ARG  21          2HG       ARG  21  -0.093   7.796   6.405
  131   2HG   ARG  21          1HG       ARG  21  -0.045   6.421   7.510
  132   1HD   ARG  21          2HD       ARG  21   2.231   6.954   6.857
  133   2HD   ARG  21          1HD       ARG  21   1.777   5.429   6.098
  134    HE   ARG  21           HE       ARG  21   1.221   7.692   4.371
  135   1HH1  ARG  21          1HH2      ARG  21   2.337   4.952   3.615
  136   2HH1  ARG  21          2HH2      ARG  21   3.930   5.378   3.090
  137   1HH2  ARG  21          1HH1      ARG  21   3.853   8.528   4.539
  138   2HH2  ARG  21          2HH1      ARG  21   4.792   7.403   3.615
  139    HA   PRO  22           HA       PRO  22  -5.470   4.513   3.956
  140   1HB   PRO  22          2HB       PRO  22  -6.876   6.570   2.792
  141   2HB   PRO  22          1HB       PRO  22  -7.129   6.022   4.459
  142   1HG   PRO  22          2HG       PRO  22  -5.734   8.474   3.480
  143   2HG   PRO  22          1HG       PRO  22  -6.571   8.195   5.016
  144   1HD   PRO  22          2HD       PRO  22  -3.775   8.162   4.645
  145   2HD   PRO  22          1HD       PRO  22  -4.641   7.522   6.058
  146    H    LEU  23           H        LEU  23  -4.537   3.508   2.222
  147    HA   LEU  23           HA       LEU  23  -3.745   5.208  -0.112
  148   1HB   LEU  23          2HB       LEU  23  -2.608   2.617   0.956
  149   2HB   LEU  23          1HB       LEU  23  -2.334   3.124  -0.712
  150    HG   LEU  23           HG       LEU  23  -1.789   5.040   1.542
  151   1HD1  LEU  23          1HD1      LEU  23  -0.459   2.511   1.110
  152   2HD1  LEU  23          2HD1      LEU  23  -0.140   3.731   2.344
  153   3HD1  LEU  23          3HD1      LEU  23   0.651   3.840   0.771
  154   1HD2  LEU  23          1HD2      LEU  23  -1.759   5.861  -0.777
  155   2HD2  LEU  23          2HD2      LEU  23  -0.611   4.598  -1.221
  156   3HD2  LEU  23          3HD2      LEU  23  -0.128   5.875  -0.106
  157    H    CYS  24           H        CYS  24  -5.280   5.004  -1.707
  158    HA   CYS  24           HA       CYS  24  -6.942   2.564  -1.737
  159   1HB   CYS  24          2HB       CYS  24  -7.256   5.295  -2.643
  160   2HB   CYS  24          1HB       CYS  24  -7.598   4.172  -3.959
  161    H    GLY  25           H        GLY  25  -6.111   0.843  -2.780
  162   1HA   GLY  25          2HA       GLY  25  -3.950   1.016  -4.666
  163   2HA   GLY  25          1HA       GLY  25  -4.909  -0.427  -4.341
  164    H    SER  26           H        SER  26  -3.997   0.620  -6.943
  165    HA   SER  26           HA       SER  26  -6.056   1.907  -8.400
  166   1HB   SER  26          2HB       SER  26  -3.724   0.212  -9.056
  167   2HB   SER  26          1HB       SER  26  -5.001   0.227 -10.269
  168    HG   SER  26           HG       SER  26  -4.013   2.025 -10.810
  169    H    ASP  27           H        ASP  27  -6.086  -1.191  -6.955
  170    HA   ASP  27           HA       ASP  27  -7.943  -2.416  -8.852
  171   1HB   ASP  27          2HB       ASP  27  -7.956  -4.283  -7.366
  172   2HB   ASP  27          1HB       ASP  27  -6.305  -3.666  -7.338
  173    H    ASN  28           H        ASN  28  -8.461   0.166  -7.057
  174    HA   ASN  28           HA       ASN  28 -10.437   1.169  -6.297
  175   1HB   ASN  28          2HB       ASN  28 -11.306  -0.972  -7.952
  176   2HB   ASN  28          1HB       ASN  28 -12.289  -1.013  -6.491
  177   1HD2  ASN  28          1HD2      ASN  28 -12.644   0.095  -9.453
  178   2HD2  ASN  28          2HD2      ASN  28 -13.369   1.606  -9.183
  179    H    LYS  29           H        LYS  29  -8.632  -0.217  -4.525
  180    HA   LYS  29           HA       LYS  29 -10.596  -1.087  -2.437
  181   1HB   LYS  29          2HB       LYS  29  -9.323  -3.033  -3.220
  182   2HB   LYS  29          1HB       LYS  29  -7.808  -2.182  -2.915
  183   1HG   LYS  29          2HG       LYS  29  -8.269  -2.085  -0.538
  184   2HG   LYS  29          1HG       LYS  29  -9.883  -2.750  -0.782
  185   1HD   LYS  29          2HD       LYS  29  -8.748  -4.800  -1.791
  186   2HD   LYS  29          1HD       LYS  29  -7.229  -4.147  -1.176
  187   1HE   LYS  29          2HE       LYS  29  -7.737  -4.664   0.980
  188   2HE   LYS  29          1HE       LYS  29  -9.425  -4.188   0.794
  189   1HZ   LYS  29          1HZ       LYS  29  -9.164  -6.578   1.167
  190   2HZ   LYS  29          2HZ       LYS  29  -8.239  -6.701  -0.252
  191   3HZ   LYS  29          3HZ       LYS  29  -9.875  -6.250  -0.337
  192    H    THR  30           H        THR  30  -9.766  -0.739  -0.193
  193    HA   THR  30           HA       THR  30  -8.099   1.740  -0.080
  194    HB   THR  30           HB       THR  30 -10.233   0.661   1.784
  195    HG1  THR  30           1HG      THR  30 -10.146   3.204   0.616
  196   1HG2  THR  30          1HG2      THR  30  -8.512   3.134   2.106
  197   2HG2  THR  30          2HG2      THR  30  -8.337   1.656   3.050
  198   3HG2  THR  30          3HG2      THR  30  -9.810   2.617   3.184
  199    H    TYR  31           H        TYR  31  -6.343   1.805   1.375
  200    HA   TYR  31           HA       TYR  31  -5.636  -0.810   2.638
  201   1HB   TYR  31          2HB       TYR  31  -4.026   1.218   1.134
  202   2HB   TYR  31          1HB       TYR  31  -3.246   0.263   2.391
  203    HD1  TYR  31           1HD      TYR  31  -4.179   0.330  -1.022
  204    HD2  TYR  31           2HD      TYR  31  -3.755  -2.333   2.322
  205    HE1  TYR  31           1HE      TYR  31  -4.044  -1.599  -2.574
  206    HE2  TYR  31           2HE      TYR  31  -3.620  -4.262   0.770
  207    HH   TYR  31           HH       TYR  31  -4.592  -4.196  -2.329
  208    H    GLY  32           H        GLY  32  -4.381  -0.646   4.625
  209   1HA   GLY  32          2HA       GLY  32  -5.345   1.558   6.313
  210   2HA   GLY  32          1HA       GLY  32  -4.462   0.136   6.870
  211    H    ASN  33           H        ASN  33  -2.381   0.557   4.733
  212    HA   ASN  33           HA       ASN  33  -1.174   3.111   5.001
  213   1HB   ASN  33          2HB       ASN  33   0.564   2.681   6.683
  214   2HB   ASN  33          1HB       ASN  33  -1.037   2.537   7.406
  215   1HD2  ASN  33          1HD2      ASN  33   0.844   1.233   8.835
  216   2HD2  ASN  33          2HD2      ASN  33   0.809  -0.442   8.562
  217    H    LYS  34           H        LYS  34   1.210   3.007   4.437
  218    HA   LYS  34           HA       LYS  34   1.634   1.592   2.057
  219   1HB   LYS  34          2HB       LYS  34   4.076   2.116   2.447
  220   2HB   LYS  34          1HB       LYS  34   2.995   3.504   2.572
  221   1HG   LYS  34          2HG       LYS  34   3.159   3.592   4.904
  222   2HG   LYS  34          1HG       LYS  34   3.658   1.905   5.030
  223   1HD   LYS  34          2HD       LYS  34   5.823   2.466   3.979
  224   2HD   LYS  34          1HD       LYS  34   5.329   4.156   3.871
  225   1HE   LYS  34          2HE       LYS  34   5.039   4.163   6.368
  226   2HE   LYS  34          1HE       LYS  34   5.725   2.538   6.404
  227   1HZ   LYS  34          1HZ       LYS  34   7.568   3.757   4.974
  228   2HZ   LYS  34          2HZ       LYS  34   7.615   3.724   6.671
  229   3HZ   LYS  34          3HZ       LYS  34   7.021   5.094   5.861
  230    H    CYS  35           H        CYS  35   1.805   0.377   5.279
  231    HA   CYS  35           HA       CYS  35   3.739  -1.721   4.750
  232   1HB   CYS  35          2HB       CYS  35   3.406  -1.169   7.045
  233   2HB   CYS  35          1HB       CYS  35   1.654  -1.287   6.897
  234    H    ASN  36           H        ASN  36   0.196  -1.572   4.902
  235    HA   ASN  36           HA       ASN  36  -0.118  -4.312   4.012
  236   1HB   ASN  36          2HB       ASN  36  -1.726  -2.178   5.086
  237   2HB   ASN  36          1HB       ASN  36  -2.496  -2.840   3.654
  238   1HD2  ASN  36          1HD2      ASN  36  -0.797  -4.039   6.603
  239   2HD2  ASN  36          2HD2      ASN  36  -1.832  -5.362   6.846
  240    H    PHE  37           H        PHE  37   0.607  -1.385   2.444
  241    HA   PHE  37           HA       PHE  37  -0.783  -2.123  -0.059
  242   1HB   PHE  37          2HB       PHE  37  -0.681   0.272   0.589
  243   2HB   PHE  37          1HB       PHE  37   1.082   0.199   0.513
  244    HD1  PHE  37           1HD      PHE  37   2.263  -0.061  -1.599
  245    HD2  PHE  37           2HD      PHE  37  -2.027   0.133  -1.474
  246    HE1  PHE  37           1HE      PHE  37   2.208   0.258  -4.055
  247    HE2  PHE  37           2HE      PHE  37  -2.084   0.456  -3.936
  248    HZ   PHE  37           HZ       PHE  37   0.038   0.511  -5.221
  249    H    CYS  38           H        CYS  38   2.601  -1.407   0.884
  250    HA   CYS  38           HA       CYS  38   3.786  -2.343  -1.521
  251   1HB   CYS  38          2HB       CYS  38   4.794  -2.118   1.316
  252   2HB   CYS  38          1HB       CYS  38   5.805  -2.817   0.053
  253    H    ASN  39           H        ASN  39   2.656  -3.988   1.357
  254    HA   ASN  39           HA       ASN  39   3.813  -6.562   0.634
  255   1HB   ASN  39          2HB       ASN  39   2.025  -5.517   2.749
  256   2HB   ASN  39          1HB       ASN  39   1.721  -7.192   2.285
  257   1HD2  ASN  39          1HD2      ASN  39   3.320  -5.606   4.603
  258   2HD2  ASN  39          2HD2      ASN  39   4.700  -6.580   4.776
  259    H    ALA  40           H        ALA  40   0.636  -5.024   0.290
  260    HA   ALA  40           HA       ALA  40  -0.689  -7.239  -0.938
  261   1HB   ALA  40          1HB       ALA  40  -1.738  -5.035  -0.122
  262   2HB   ALA  40          2HB       ALA  40  -2.337  -5.660  -1.657
  263   3HB   ALA  40          3HB       ALA  40  -1.177  -4.332  -1.640
  264    H    VAL  41           H        VAL  41   1.734  -5.038  -2.004
  265    HA   VAL  41           HA       VAL  41   1.317  -5.568  -4.862
  266    HB   VAL  41           HB       VAL  41   3.413  -4.071  -3.277
  267   1HG1  VAL  41          1HG1      VAL  41   4.819  -4.766  -4.966
  268   2HG1  VAL  41          2HG1      VAL  41   4.044  -3.423  -5.805
  269   3HG1  VAL  41          3HG1      VAL  41   3.492  -5.073  -6.086
  270   1HG2  VAL  41          1HG2      VAL  41   1.997  -2.363  -3.670
  271   2HG2  VAL  41          2HG2      VAL  41   0.935  -3.428  -4.591
  272   3HG2  VAL  41          3HG2      VAL  41   2.252  -2.582  -5.402
  273    H    VAL  42           H        VAL  42   3.381  -6.685  -2.222
  274    HA   VAL  42           HA       VAL  42   5.127  -8.261  -3.922
  275    HB   VAL  42           HB       VAL  42   4.548  -8.768  -0.995
  276   1HG1  VAL  42          1HG1      VAL  42   6.756  -9.395  -2.934
  277   2HG1  VAL  42          2HG1      VAL  42   5.967 -10.457  -1.767
  278   3HG1  VAL  42          3HG1      VAL  42   7.122  -9.245  -1.216
  279   1HG2  VAL  42          1HG2      VAL  42   5.415  -6.336  -2.120
  280   2HG2  VAL  42          2HG2      VAL  42   6.876  -7.118  -1.516
  281   3HG2  VAL  42          3HG2      VAL  42   5.523  -6.814  -0.426
  282    H    GLU  43           H        GLU  43   1.907  -8.606  -2.892
  283    HA   GLU  43           HA       GLU  43   1.958 -11.565  -3.125
  284   1HB   GLU  43          2HB       GLU  43  -0.122  -9.564  -2.239
  285   2HB   GLU  43          1HB       GLU  43  -0.547 -11.240  -2.585
  286   1HG   GLU  43          2HG       GLU  43   1.830 -11.091  -0.922
  287   2HG   GLU  43          1HG       GLU  43   0.474 -10.245  -0.171
  288    H    SER  44           H        SER  44   0.574  -8.697  -4.703
  289    HA   SER  44           HA       SER  44  -0.868 -10.217  -6.702
  290   1HB   SER  44          2HB       SER  44  -0.774  -7.545  -5.904
  291   2HB   SER  44          1HB       SER  44  -0.100  -7.527  -7.530
  292    HG   SER  44           HG       SER  44  -1.956  -8.674  -8.217
  293    H    ASN  45           H        ASN  45   2.406  -9.777  -6.220
  294    HA   ASN  45           HA       ASN  45   4.204 -10.460  -7.588
  295   1HB   ASN  45          2HB       ASN  45   2.131 -11.763  -8.738
  296   2HB   ASN  45          1HB       ASN  45   2.546 -10.655 -10.045
  297   1HD2  ASN  45          1HD2      ASN  45   3.600 -12.168 -11.441
  298   2HD2  ASN  45          2HD2      ASN  45   5.018 -12.992 -11.005
  299    H    GLY  46           H        GLY  46   2.634  -7.705  -7.596
  300   1HA   GLY  46          2HA       GLY  46   3.757  -5.650  -8.296
  301   2HA   GLY  46          1HA       GLY  46   4.395  -6.520  -9.691
  302    H    THR  47           H        THR  47   1.256  -7.512  -9.372
  303    HA   THR  47           HA       THR  47   0.406  -5.708 -11.555
  304    HB   THR  47           HB       THR  47  -1.675  -7.264 -11.434
  305    HG1  THR  47           1HG      THR  47  -0.635  -9.359 -10.509
  306   1HG2  THR  47          1HG2      THR  47  -0.694  -8.507 -13.075
  307   2HG2  THR  47          2HG2      THR  47   0.690  -8.927 -12.065
  308   3HG2  THR  47          3HG2      THR  47   0.630  -7.359 -12.869
  309    H    LEU  48           H        LEU  48   0.636  -4.898  -8.618
  310    HA   LEU  48           HA       LEU  48  -2.146  -3.822  -8.380
  311   1HB   LEU  48          2HB       LEU  48  -1.512  -5.680  -6.710
  312   2HB   LEU  48          1HB       LEU  48  -0.417  -4.497  -5.998
  313    HG   LEU  48           HG       LEU  48  -2.734  -3.039  -6.240
  314   1HD1  LEU  48          1HD1      LEU  48  -3.505  -5.726  -6.581
  315   2HD1  LEU  48          2HD1      LEU  48  -4.564  -4.355  -6.251
  316   3HD1  LEU  48          3HD1      LEU  48  -3.933  -5.322  -4.919
  317   1HD2  LEU  48          1HD2      LEU  48  -1.963  -4.785  -3.881
  318   2HD2  LEU  48          2HD2      LEU  48  -2.888  -3.286  -3.822
  319   3HD2  LEU  48          3HD2      LEU  48  -1.185  -3.253  -4.279
  320    H    THR  49           H        THR  49  -2.194  -1.622  -8.216
  321    HA   THR  49           HA       THR  49   0.316  -0.228  -7.379
  322    HB   THR  49           HB       THR  49   0.148   1.315  -9.141
  323    HG1  THR  49           1HG      THR  49  -1.722   1.952  -9.815
  324   1HG2  THR  49          1HG2      THR  49   0.279   0.001 -11.082
  325   2HG2  THR  49          2HG2      THR  49  -0.985  -1.099 -10.533
  326   3HG2  THR  49          3HG2      THR  49   0.617  -1.160  -9.799
  327    H    LEU  50           H        LEU  50  -0.985   2.346  -7.804
  328    HA   LEU  50           HA       LEU  50  -3.061   2.315  -5.657
  329   1HB   LEU  50          2HB       LEU  50  -1.001   3.029  -4.595
  330   2HB   LEU  50          1HB       LEU  50  -0.675   4.170  -5.902
  331    HG   LEU  50           HG       LEU  50  -3.236   4.855  -5.075
  332   1HD1  LEU  50          1HD1      LEU  50  -2.000   5.091  -2.498
  333   2HD1  LEU  50          2HD1      LEU  50  -2.009   3.392  -2.967
  334   3HD1  LEU  50          3HD1      LEU  50  -3.520   4.300  -2.915
  335   1HD2  LEU  50          1HD2      LEU  50  -0.784   6.061  -5.434
  336   2HD2  LEU  50          2HD2      LEU  50  -1.066   6.297  -3.710
  337   3HD2  LEU  50          3HD2      LEU  50  -2.243   6.888  -4.885
  338    H    SER  51           H        SER  51  -4.874   3.358  -6.351
  339    HA   SER  51           HA       SER  51  -4.791   4.877  -8.848
  340   1HB   SER  51          2HB       SER  51  -6.849   3.618  -7.173
  341   2HB   SER  51          1HB       SER  51  -7.351   5.154  -7.875
  342    HG   SER  51           HG       SER  51  -7.186   4.324  -9.839
  343    H    HIS  52           H        HIS  52  -4.862   5.606  -5.420
  344    HA   HIS  52           HA       HIS  52  -4.269   8.339  -5.872
  345   1HB   HIS  52          2HB       HIS  52  -6.266   9.478  -5.689
  346   2HB   HIS  52          1HB       HIS  52  -6.841   8.029  -6.503
  347    HD1  HIS  52           1HD      HIS  52  -8.054   6.218  -4.974
  348    HD2  HIS  52           2HD      HIS  52  -7.238   9.846  -3.090
  349    HE1  HIS  52           1HE      HIS  52  -9.437   6.253  -2.852
  350    H    PHE  53           H        PHE  53  -2.933   8.510  -4.204
  351    HA   PHE  53           HA       PHE  53  -2.793   7.081  -1.846
  352   1HB   PHE  53          2HB       PHE  53  -2.161   9.993  -2.381
  353   2HB   PHE  53          1HB       PHE  53  -1.765   9.200  -0.863
  354    HD1  PHE  53           1HD      PHE  53  -1.180   9.137  -4.524
  355    HD2  PHE  53           2HD      PHE  53   0.090   7.697  -0.682
  356    HE1  PHE  53           1HE      PHE  53   0.878   8.212  -5.552
  357    HE2  PHE  53           2HE      PHE  53   2.150   6.767  -1.711
  358    HZ   PHE  53           HZ       PHE  53   2.541   7.025  -4.145
  359    H    GLY  54           H        GLY  54  -4.847   6.656  -0.898
  360   1HA   GLY  54          2HA       GLY  54  -5.833   8.085   1.184
  361   2HA   GLY  54          1HA       GLY  54  -6.578   8.929  -0.173
  362    H    LYS  55           H        LYS  55  -8.377   7.827   1.446
  363    HA   LYS  55           HA       LYS  55  -8.959   5.051   0.721
  364   1HB   LYS  55          2HB       LYS  55 -10.890   5.273   2.142
  365   2HB   LYS  55          1HB       LYS  55  -9.567   6.117   2.945
  366   1HG   LYS  55          2HG       LYS  55 -10.377   8.265   2.074
  367   2HG   LYS  55          1HG       LYS  55 -11.675   7.439   1.210
  368   1HD   LYS  55          2HD       LYS  55 -11.833   6.533   3.879
  369   2HD   LYS  55          1HD       LYS  55 -11.589   8.278   3.977
  370   1HE   LYS  55          2HE       LYS  55 -13.768   8.547   3.484
  371   2HE   LYS  55          1HE       LYS  55 -13.437   7.883   1.883
  372   1HZ   LYS  55          1HZ       LYS  55 -13.548   5.661   3.347
  373   2HZ   LYS  55          2HZ       LYS  55 -14.888   6.322   2.540
  374   3HZ   LYS  55          3HZ       LYS  55 -14.654   6.626   4.196
  375    H    CYS  56           H        CYS  56 -11.133   4.517  -0.284
  376    HA   CYS  56           HA       CYS  56 -11.596   6.377  -2.559
  377   1HB   CYS  56          2HB       CYS  56 -12.220   3.446  -2.140
  378   2HB   CYS  56          1HB       CYS  56 -12.830   4.362  -3.519
  Start of MODEL   12
    1   1H    ALA   3          1HT       ALA   3   8.460   2.214  -9.013
    2   2H    ALA   3          2HT       ALA   3   7.739   1.359  -7.734
    3   3H    ALA   3          3HT       ALA   3   7.124   2.872  -8.202
    4    HA   ALA   3           HA       ALA   3   7.111   1.282 -10.479
    5   1HB   ALA   3          1HB       ALA   3   5.687  -0.588  -9.728
    6   2HB   ALA   3          2HB       ALA   3   5.882  -0.066  -8.055
    7   3HB   ALA   3          3HB       ALA   3   7.274  -0.659  -8.962
    8    H    VAL   4           H        VAL   4   5.016   1.955  -7.644
    9    HA   VAL   4           HA       VAL   4   3.007   3.083  -9.530
   10    HB   VAL   4           HB       VAL   4   2.108   3.109  -6.798
   11   1HG1  VAL   4          1HG1      VAL   4   0.909   1.040  -8.376
   12   2HG1  VAL   4          2HG1      VAL   4   1.216   2.435  -9.411
   13   3HG1  VAL   4          3HG1      VAL   4   0.251   2.619  -7.948
   14   1HG2  VAL   4          1HG2      VAL   4   2.129   0.626  -6.429
   15   2HG2  VAL   4          2HG2      VAL   4   3.733   1.354  -6.333
   16   3HG2  VAL   4          3HG2      VAL   4   3.250   0.473  -7.782
   17    H    SER   5           H        SER   5   3.627   3.959  -6.156
   18    HA   SER   5           HA       SER   5   4.449   6.678  -7.018
   19   1HB   SER   5          2HB       SER   5   2.166   7.132  -6.757
   20   2HB   SER   5          1HB       SER   5   1.983   5.955  -5.462
   21    HG   SER   5           HG       SER   5   2.105   7.752  -4.320
   22    H    VAL   6           H        VAL   6   5.297   4.096  -5.358
   23    HA   VAL   6           HA       VAL   6   6.967   5.592  -3.486
   24    HB   VAL   6           HB       VAL   6   6.107   4.167  -1.519
   25   1HG1  VAL   6          1HG1      VAL   6   4.132   6.188  -2.599
   26   2HG1  VAL   6          2HG1      VAL   6   5.696   6.654  -1.933
   27   3HG1  VAL   6          3HG1      VAL   6   4.509   5.840  -0.913
   28   1HG2  VAL   6          1HG2      VAL   6   3.596   3.669  -1.836
   29   2HG2  VAL   6          2HG2      VAL   6   4.733   2.565  -2.609
   30   3HG2  VAL   6          3HG2      VAL   6   3.913   3.801  -3.566
   31    H    ASP   7           H        ASP   7   8.531   4.098  -2.407
   32    HA   ASP   7           HA       ASP   7   9.133   1.823  -4.193
   33   1HB   ASP   7          2HB       ASP   7  10.825   3.597  -3.255
   34   2HB   ASP   7          1HB       ASP   7  10.803   2.582  -1.811
   35    H    CYS   8           H        CYS   8   8.628  -0.238  -3.660
   36    HA   CYS   8           HA       CYS   8   7.960  -0.823  -0.802
   37   1HB   CYS   8          2HB       CYS   8   6.864  -2.013  -3.366
   38   2HB   CYS   8          1HB       CYS   8   6.531  -2.667  -1.761
   39    H    SER   9           H        SER   9  10.613  -0.963  -2.098
   40    HA   SER   9           HA       SER   9  11.177  -3.780  -2.583
   41   1HB   SER   9          2HB       SER   9  13.392  -3.100  -2.973
   42   2HB   SER   9          1HB       SER   9  12.463  -1.678  -3.442
   43    HG   SER   9           HG       SER   9  14.374  -1.694  -1.752
   44    H    GLU  10           H        GLU  10  10.627  -1.963   0.205
   45    HA   GLU  10           HA       GLU  10  12.430  -3.596   1.896
   46   1HB   GLU  10          2HB       GLU  10  11.859  -2.103   3.680
   47   2HB   GLU  10          1HB       GLU  10  12.074  -1.090   2.253
   48   1HG   GLU  10          2HG       GLU  10   9.509  -1.461   1.911
   49   2HG   GLU  10          1HG       GLU  10   9.522  -1.905   3.619
   50    H    TYR  11           H        TYR  11  10.381  -5.017   0.538
   51    HA   TYR  11           HA       TYR  11   8.766  -5.923   2.877
   52   1HB   TYR  11          2HB       TYR  11   7.802  -5.187   0.111
   53   2HB   TYR  11          1HB       TYR  11   6.883  -6.290   1.133
   54    HD1  TYR  11           1HD      TYR  11   5.462  -5.447   2.824
   55    HD2  TYR  11           2HD      TYR  11   8.475  -2.909   1.112
   56    HE1  TYR  11           1HE      TYR  11   4.543  -3.512   4.076
   57    HE2  TYR  11           2HE      TYR  11   7.557  -0.975   2.363
   58    HH   TYR  11           HH       TYR  11   5.927  -0.248   3.688
   59    HA   PRO  12           HA       PRO  12   6.893  -7.308   2.619
   60   1HB   PRO  12          2HB       PRO  12   6.450  -9.718   3.851
   61   2HB   PRO  12          1HB       PRO  12   5.901  -9.346   2.208
   62   1HG   PRO  12          2HG       PRO  12   8.151 -11.089   3.079
   63   2HG   PRO  12          1HG       PRO  12   7.204 -11.144   1.584
   64   1HD   PRO  12          2HD       PRO  12   9.813 -10.053   1.882
   65   2HD   PRO  12          1HD       PRO  12   8.751  -9.875   0.469
   66    H    LYS  13           H        LYS  13   6.494  -6.995   4.921
   67    HA   LYS  13           HA       LYS  13   8.995  -6.987   6.515
   68   1HB   LYS  13          2HB       LYS  13   6.310  -5.630   6.793
   69   2HB   LYS  13          1HB       LYS  13   7.471  -5.650   8.120
   70   1HG   LYS  13          2HG       LYS  13   8.966  -4.278   7.019
   71   2HG   LYS  13          1HG       LYS  13   8.465  -4.839   5.422
   72   1HD   LYS  13          2HD       LYS  13   7.717  -2.524   5.787
   73   2HD   LYS  13          1HD       LYS  13   6.330  -3.609   5.670
   74   1HE   LYS  13          2HE       LYS  13   5.653  -2.739   7.642
   75   2HE   LYS  13          1HE       LYS  13   6.964  -3.665   8.375
   76   1HZ   LYS  13          1HZ       LYS  13   7.245  -0.914   7.295
   77   2HZ   LYS  13          2HZ       LYS  13   8.430  -1.803   8.125
   78   3HZ   LYS  13          3HZ       LYS  13   7.030  -1.285   8.935
   79    HA   PRO  14           HA       PRO  14   7.685 -10.262   9.132
   80   1HB   PRO  14          2HB       PRO  14   8.762  -9.454  11.529
   81   2HB   PRO  14          1HB       PRO  14   9.727 -10.094  10.188
   82   1HG   PRO  14          2HG       PRO  14   9.464  -7.277  11.131
   83   2HG   PRO  14          1HG       PRO  14  10.807  -8.054  10.275
   84   1HD   PRO  14          2HD       PRO  14   8.865  -6.353   9.116
   85   2HD   PRO  14          1HD       PRO  14  10.005  -7.391   8.233
   86    H    ALA  15           H        ALA  15   6.628  -7.046   9.725
   87    HA   ALA  15           HA       ALA  15   4.155  -7.984  10.934
   88   1HB   ALA  15          1HB       ALA  15   4.662  -7.726  13.110
   89   2HB   ALA  15          2HB       ALA  15   5.098  -6.043  12.812
   90   3HB   ALA  15          3HB       ALA  15   6.319  -7.308  12.674
   91    H    CYS  16           H        CYS  16   2.544  -6.347  10.839
   92    HA   CYS  16           HA       CYS  16   3.242  -4.099   9.089
   93   1HB   CYS  16          2HB       CYS  16   1.062  -5.560   9.050
   94   2HB   CYS  16          1HB       CYS  16   0.528  -4.475  10.332
   95    H    THR  17           H        THR  17   3.547  -2.028   9.750
   96    HA   THR  17           HA       THR  17   3.675  -1.472  12.614
   97    HB   THR  17           HB       THR  17   3.899   0.948  11.169
   98    HG1  THR  17           1HG      THR  17   4.890   0.455   9.372
   99   1HG2  THR  17          1HG2      THR  17   6.172   0.862  11.908
  100   2HG2  THR  17          2HG2      THR  17   6.149  -0.899  11.982
  101   3HG2  THR  17          3HG2      THR  17   5.218   0.043  13.145
  102    H    MET  18           H        MET  18   2.555   0.491  13.527
  103    HA   MET  18           HA       MET  18  -0.277   0.461  12.666
  104   1HB   MET  18          2HB       MET  18   1.150   1.524  15.112
  105   2HB   MET  18          1HB       MET  18  -0.551   1.863  14.792
  106   1HG   MET  18          2HG       MET  18   0.106  -0.970  14.471
  107   2HG   MET  18          1HG       MET  18   0.429  -0.381  16.101
  108   1HE   MET  18          1HE       MET  18  -2.668  -1.163  13.483
  109   2HE   MET  18          2HE       MET  18  -3.134  -2.165  14.855
  110   3HE   MET  18          3HE       MET  18  -1.474  -2.208  14.265
  111    H    GLU  19           H        GLU  19   2.081   1.950  11.317
  112    HA   GLU  19           HA       GLU  19   1.736   4.752  11.661
  113   1HB   GLU  19          2HB       GLU  19   2.667   4.934   9.351
  114   2HB   GLU  19          1HB       GLU  19   3.608   3.846  10.374
  115   1HG   GLU  19          2HG       GLU  19   2.520   1.905   9.393
  116   2HG   GLU  19          1HG       GLU  19   1.441   2.939   8.458
  117    H    TYR  20           H        TYR  20   0.491   6.258  10.342
  118    HA   TYR  20           HA       TYR  20  -2.039   5.019   9.362
  119   1HB   TYR  20          2HB       TYR  20  -1.684   7.055  11.163
  120   2HB   TYR  20          1HB       TYR  20  -1.957   7.946   9.667
  121    HD1  TYR  20           1HD      TYR  20  -4.012   7.445   8.286
  122    HD2  TYR  20           2HD      TYR  20  -3.458   5.899  12.255
  123    HE1  TYR  20           1HE      TYR  20  -6.439   6.956   8.434
  124    HE2  TYR  20           2HE      TYR  20  -5.884   5.408  12.403
  125    HH   TYR  20           HH       TYR  20  -7.777   5.051  10.983
  126    H    ARG  21           H        ARG  21  -2.281   4.925   7.209
  127    HA   ARG  21           HA       ARG  21  -1.526   7.176   5.501
  128   1HB   ARG  21          2HB       ARG  21   0.126   4.720   5.683
  129   2HB   ARG  21          1HB       ARG  21  -0.263   5.257   4.048
  130   1HG   ARG  21          2HG       ARG  21   0.980   6.969   6.221
  131   2HG   ARG  21          1HG       ARG  21   1.830   6.298   4.828
  132   1HD   ARG  21          2HD       ARG  21   1.202   8.066   3.591
  133   2HD   ARG  21          1HD       ARG  21  -0.491   7.658   3.868
  134    HE   ARG  21           HE       ARG  21   0.041   8.961   6.157
  135   1HH1  ARG  21          1HH2      ARG  21  -0.188   9.835   2.926
  136   2HH1  ARG  21          2HH2      ARG  21   0.411  11.446   3.134
  137   1HH2  ARG  21          1HH1      ARG  21   1.335  10.964   6.440
  138   2HH2  ARG  21          2HH1      ARG  21   1.271  12.085   5.121
  139    HA   PRO  22           HA       PRO  22  -5.158   5.018   3.922
  140   1HB   PRO  22          2HB       PRO  22  -6.196   7.244   2.689
  141   2HB   PRO  22          1HB       PRO  22  -6.430   6.875   4.407
  142   1HG   PRO  22          2HG       PRO  22  -4.644   8.909   3.146
  143   2HG   PRO  22          1HG       PRO  22  -5.398   8.918   4.749
  144   1HD   PRO  22          2HD       PRO  22  -2.703   8.272   4.206
  145   2HD   PRO  22          1HD       PRO  22  -3.567   7.931   5.721
  146    H    LEU  23           H        LEU  23  -4.453   3.725   2.227
  147    HA   LEU  23           HA       LEU  23  -3.620   5.133  -0.286
  148   1HB   LEU  23          2HB       LEU  23  -2.730   2.490   0.890
  149   2HB   LEU  23          1HB       LEU  23  -2.501   2.875  -0.824
  150    HG   LEU  23           HG       LEU  23  -1.635   4.954   1.123
  151   1HD1  LEU  23          1HD1      LEU  23   0.521   3.078   0.741
  152   2HD1  LEU  23          2HD1      LEU  23  -0.842   2.259   1.504
  153   3HD1  LEU  23          3HD1      LEU  23  -0.147   3.697   2.252
  154   1HD2  LEU  23          1HD2      LEU  23  -1.081   5.534  -1.049
  155   2HD2  LEU  23          2HD2      LEU  23  -0.859   3.857  -1.550
  156   3HD2  LEU  23          3HD2      LEU  23   0.383   4.663  -0.597
  157    H    CYS  24           H        CYS  24  -5.345   5.054  -1.681
  158    HA   CYS  24           HA       CYS  24  -7.215   2.783  -1.480
  159   1HB   CYS  24          2HB       CYS  24  -7.333   5.493  -2.541
  160   2HB   CYS  24          1HB       CYS  24  -7.955   4.314  -3.698
  161    H    GLY  25           H        GLY  25  -6.133   0.999  -2.326
  162   1HA   GLY  25          2HA       GLY  25  -4.274   0.860  -4.382
  163   2HA   GLY  25          1HA       GLY  25  -5.423  -0.435  -4.051
  164    H    SER  26           H        SER  26  -4.397   0.475  -6.664
  165    HA   SER  26           HA       SER  26  -6.337   2.032  -8.071
  166   1HB   SER  26          2HB       SER  26  -3.970   1.113  -8.787
  167   2HB   SER  26          1HB       SER  26  -4.908  -0.242  -9.406
  168    HG   SER  26           HG       SER  26  -4.536   1.625 -10.854
  169    H    ASP  27           H        ASP  27  -6.617  -1.035  -6.664
  170    HA   ASP  27           HA       ASP  27  -8.599  -2.052  -8.580
  171   1HB   ASP  27          2HB       ASP  27  -8.672  -4.006  -7.184
  172   2HB   ASP  27          1HB       ASP  27  -6.978  -3.521  -7.285
  173    H    ASN  28           H        ASN  28  -8.879   0.470  -6.749
  174    HA   ASN  28           HA       ASN  28 -10.726   1.554  -5.785
  175   1HB   ASN  28          2HB       ASN  28 -11.840  -0.338  -7.512
  176   2HB   ASN  28          1HB       ASN  28 -12.643  -0.637  -5.970
  177   1HD2  ASN  28          1HD2      ASN  28 -11.438   2.475  -7.321
  178   2HD2  ASN  28          2HD2      ASN  28 -12.950   3.244  -7.291
  179    H    LYS  29           H        LYS  29  -8.891  -0.055  -4.222
  180    HA   LYS  29           HA       LYS  29 -10.750  -0.897  -2.029
  181   1HB   LYS  29          2HB       LYS  29  -9.369  -2.747  -3.149
  182   2HB   LYS  29          1HB       LYS  29  -7.951  -1.974  -2.435
  183   1HG   LYS  29          2HG       LYS  29  -8.463  -2.682  -0.339
  184   2HG   LYS  29          1HG       LYS  29 -10.186  -2.378  -0.557
  185   1HD   LYS  29          2HD       LYS  29  -9.835  -4.470  -2.260
  186   2HD   LYS  29          1HD       LYS  29  -8.632  -4.850  -1.030
  187   1HE   LYS  29          2HE       LYS  29 -10.394  -5.788   0.068
  188   2HE   LYS  29          1HE       LYS  29 -10.745  -4.123   0.534
  189   1HZ   LYS  29          1HZ       LYS  29 -11.747  -4.920  -2.064
  190   2HZ   LYS  29          2HZ       LYS  29 -12.497  -4.014  -0.839
  191   3HZ   LYS  29          3HZ       LYS  29 -12.467  -5.710  -0.748
  192    H    THR  30           H        THR  30  -9.831  -0.543   0.166
  193    HA   THR  30           HA       THR  30  -8.053   1.860   0.171
  194    HB   THR  30           HB       THR  30 -10.220   0.941   2.072
  195    HG1  THR  30           1HG      THR  30 -10.462   2.353   0.089
  196   1HG2  THR  30          1HG2      THR  30  -8.148   3.116   2.482
  197   2HG2  THR  30          2HG2      THR  30  -8.310   1.638   3.434
  198   3HG2  THR  30          3HG2      THR  30  -9.570   2.872   3.497
  199    H    TYR  31           H        TYR  31  -6.262   1.887   1.596
  200    HA   TYR  31           HA       TYR  31  -5.629  -0.731   2.881
  201   1HB   TYR  31          2HB       TYR  31  -3.954   1.162   1.264
  202   2HB   TYR  31          1HB       TYR  31  -3.205   0.094   2.445
  203    HD1  TYR  31           1HD      TYR  31  -3.590   0.278  -0.869
  204    HD2  TYR  31           2HD      TYR  31  -4.745  -2.346   2.327
  205    HE1  TYR  31           1HE      TYR  31  -3.773  -1.600  -2.477
  206    HE2  TYR  31           2HE      TYR  31  -4.927  -4.226   0.720
  207    HH   TYR  31           HH       TYR  31  -3.844  -4.757  -1.618
  208    H    GLY  32           H        GLY  32  -4.340  -0.583   4.824
  209   1HA   GLY  32          2HA       GLY  32  -5.102   1.711   6.460
  210   2HA   GLY  32          1HA       GLY  32  -4.206   0.297   7.013
  211    H    ASN  33           H        ASN  33  -2.238   0.690   4.714
  212    HA   ASN  33           HA       ASN  33  -1.005   3.241   4.943
  213   1HB   ASN  33          2HB       ASN  33   0.896   2.561   6.490
  214   2HB   ASN  33          1HB       ASN  33  -0.661   2.839   7.268
  215   1HD2  ASN  33          1HD2      ASN  33   0.193   1.343   9.012
  216   2HD2  ASN  33          2HD2      ASN  33   0.078  -0.333   8.773
  217    H    LYS  34           H        LYS  34   1.453   3.038   4.430
  218    HA   LYS  34           HA       LYS  34   1.780   1.707   1.961
  219   1HB   LYS  34          2HB       LYS  34   3.405   3.309   3.728
  220   2HB   LYS  34          1HB       LYS  34   4.353   1.952   3.116
  221   1HG   LYS  34          2HG       LYS  34   3.364   2.577   0.801
  222   2HG   LYS  34          1HG       LYS  34   2.950   4.116   1.554
  223   1HD   LYS  34          2HD       LYS  34   5.721   2.900   1.343
  224   2HD   LYS  34          1HD       LYS  34   5.128   4.326   0.488
  225   1HE   LYS  34          2HE       LYS  34   4.949   5.582   2.518
  226   2HE   LYS  34          1HE       LYS  34   5.194   4.143   3.507
  227   1HZ   LYS  34          1HZ       LYS  34   7.345   4.382   1.728
  228   2HZ   LYS  34          2HZ       LYS  34   7.362   4.486   3.423
  229   3HZ   LYS  34          3HZ       LYS  34   7.127   5.882   2.486
  230    H    CYS  35           H        CYS  35   1.832   0.408   5.125
  231    HA   CYS  35           HA       CYS  35   3.644  -1.796   4.609
  232   1HB   CYS  35          2HB       CYS  35   3.363  -1.258   6.887
  233   2HB   CYS  35          1HB       CYS  35   1.618  -1.105   6.729
  234    H    ASN  36           H        ASN  36   0.103  -1.458   4.808
  235    HA   ASN  36           HA       ASN  36  -0.401  -4.147   3.848
  236   1HB   ASN  36          2HB       ASN  36  -1.882  -2.122   5.082
  237   2HB   ASN  36          1HB       ASN  36  -2.576  -2.250   3.469
  238   1HD2  ASN  36          1HD2      ASN  36  -1.628  -4.315   6.264
  239   2HD2  ASN  36          2HD2      ASN  36  -2.816  -5.496   5.985
  240    H    PHE  37           H        PHE  37   0.477  -1.219   2.334
  241    HA   PHE  37           HA       PHE  37  -0.875  -1.841  -0.215
  242   1HB   PHE  37          2HB       PHE  37  -0.613   0.521   0.556
  243   2HB   PHE  37          1HB       PHE  37   1.137   0.333   0.442
  244    HD1  PHE  37           1HD      PHE  37   2.138   1.101  -1.508
  245    HD2  PHE  37           2HD      PHE  37  -1.882  -0.400  -1.675
  246    HE1  PHE  37           1HE      PHE  37   2.050   1.600  -3.936
  247    HE2  PHE  37           2HE      PHE  37  -1.974   0.101  -4.103
  248    HZ   PHE  37           HZ       PHE  37  -0.005   1.100  -5.231
  249    H    CYS  38           H        CYS  38   2.457  -1.644   1.024
  250    HA   CYS  38           HA       CYS  38   3.647  -2.527  -1.460
  251   1HB   CYS  38          2HB       CYS  38   4.699  -2.383   1.375
  252   2HB   CYS  38          1HB       CYS  38   5.687  -2.869  -0.002
  253    H    ASN  39           H        ASN  39   2.494  -4.128   1.458
  254    HA   ASN  39           HA       ASN  39   3.664  -6.700   0.782
  255   1HB   ASN  39          2HB       ASN  39   1.753  -5.663   2.821
  256   2HB   ASN  39          1HB       ASN  39   1.650  -7.383   2.440
  257   1HD2  ASN  39          1HD2      ASN  39   3.085  -5.366   4.611
  258   2HD2  ASN  39          2HD2      ASN  39   4.513  -6.228   4.921
  259    H    ALA  40           H        ALA  40   0.446  -5.235   0.439
  260    HA   ALA  40           HA       ALA  40  -0.780  -7.498  -0.816
  261   1HB   ALA  40          1HB       ALA  40  -1.448  -4.659  -1.582
  262   2HB   ALA  40          2HB       ALA  40  -1.857  -5.263   0.024
  263   3HB   ALA  40          3HB       ALA  40  -2.530  -6.038  -1.410
  264    H    VAL  41           H        VAL  41   1.470  -5.085  -1.855
  265    HA   VAL  41           HA       VAL  41   1.131  -5.589  -4.716
  266    HB   VAL  41           HB       VAL  41   3.222  -4.109  -3.101
  267   1HG1  VAL  41          1HG1      VAL  41   2.972  -4.360  -6.116
  268   2HG1  VAL  41          2HG1      VAL  41   4.236  -5.101  -5.135
  269   3HG1  VAL  41          3HG1      VAL  41   4.130  -3.345  -5.259
  270   1HG2  VAL  41          1HG2      VAL  41   0.717  -3.326  -3.663
  271   2HG2  VAL  41          2HG2      VAL  41   1.482  -2.859  -5.182
  272   3HG2  VAL  41          3HG2      VAL  41   2.065  -2.189  -3.658
  273    H    VAL  42           H        VAL  42   3.180  -6.747  -2.086
  274    HA   VAL  42           HA       VAL  42   5.098  -8.098  -3.766
  275    HB   VAL  42           HB       VAL  42   4.237  -8.584  -0.898
  276   1HG1  VAL  42          1HG1      VAL  42   6.382  -9.862  -2.604
  277   2HG1  VAL  42          2HG1      VAL  42   5.138 -10.658  -1.641
  278   3HG1  VAL  42          3HG1      VAL  42   6.480  -9.838  -0.843
  279   1HG2  VAL  42          1HG2      VAL  42   5.618  -6.863  -0.438
  280   2HG2  VAL  42          2HG2      VAL  42   5.895  -6.629  -2.164
  281   3HG2  VAL  42          3HG2      VAL  42   6.944  -7.705  -1.241
  282    H    GLU  43           H        GLU  43   1.907  -8.878  -2.574
  283    HA   GLU  43           HA       GLU  43   2.087 -11.708  -3.310
  284   1HB   GLU  43          2HB       GLU  43  -0.309 -11.767  -2.751
  285   2HB   GLU  43          1HB       GLU  43   0.595 -10.946  -1.480
  286   1HG   GLU  43          2HG       GLU  43  -0.257  -8.862  -2.026
  287   2HG   GLU  43          1HG       GLU  43  -0.513  -9.294  -3.716
  288    H    SER  44           H        SER  44   1.114  -8.705  -4.801
  289    HA   SER  44           HA       SER  44  -0.153 -10.105  -7.078
  290   1HB   SER  44          2HB       SER  44  -0.183  -7.410  -5.974
  291   2HB   SER  44          1HB       SER  44   0.102  -7.392  -7.710
  292    HG   SER  44           HG       SER  44  -1.760  -9.176  -7.334
  293    H    ASN  45           H        ASN  45   2.954  -9.356  -6.140
  294    HA   ASN  45           HA       ASN  45   4.985  -9.358  -7.302
  295   1HB   ASN  45          2HB       ASN  45   3.138 -10.877  -8.905
  296   2HB   ASN  45          1HB       ASN  45   4.192  -9.939  -9.960
  297   1HD2  ASN  45          1HD2      ASN  45   5.577 -11.681 -10.631
  298   2HD2  ASN  45          2HD2      ASN  45   6.580 -12.521  -9.549
  299    H    GLY  46           H        GLY  46   2.875  -7.063  -7.427
  300   1HA   GLY  46          2HA       GLY  46   3.543  -4.805  -8.086
  301   2HA   GLY  46          1HA       GLY  46   4.386  -5.502  -9.468
  302    H    THR  47           H        THR  47   1.403  -7.030  -9.036
  303    HA   THR  47           HA       THR  47   0.336  -5.658 -11.412
  304    HB   THR  47           HB       THR  47  -1.493  -7.347 -11.247
  305    HG1  THR  47           1HG      THR  47  -1.790  -8.117  -9.332
  306   1HG2  THR  47          1HG2      THR  47   1.389  -8.218 -11.164
  307   2HG2  THR  47          2HG2      THR  47   0.320  -8.076 -12.560
  308   3HG2  THR  47          3HG2      THR  47   0.092  -9.390 -11.405
  309    H    LEU  48           H        LEU  48  -0.013  -5.496  -7.992
  310    HA   LEU  48           HA       LEU  48  -2.626  -4.085  -8.179
  311   1HB   LEU  48          2HB       LEU  48  -2.408  -5.711  -6.371
  312   2HB   LEU  48          1HB       LEU  48  -0.937  -4.923  -5.800
  313    HG   LEU  48           HG       LEU  48  -2.700  -2.821  -5.867
  314   1HD1  LEU  48          1HD1      LEU  48  -4.810  -3.524  -4.982
  315   2HD1  LEU  48          2HD1      LEU  48  -4.239  -5.178  -4.758
  316   3HD1  LEU  48          3HD1      LEU  48  -4.505  -4.551  -6.384
  317   1HD2  LEU  48          1HD2      LEU  48  -2.959  -3.926  -3.302
  318   2HD2  LEU  48          2HD2      LEU  48  -1.720  -2.793  -3.833
  319   3HD2  LEU  48          3HD2      LEU  48  -1.413  -4.528  -3.895
  320    H    THR  49           H        THR  49  -2.414  -1.999  -8.763
  321    HA   THR  49           HA       THR  49  -0.065  -0.453  -7.798
  322    HB   THR  49           HB       THR  49  -0.793   1.232  -9.469
  323    HG1  THR  49           1HG      THR  49  -2.636  -0.570 -10.505
  324   1HG2  THR  49          1HG2      THR  49   0.276   0.106 -11.112
  325   2HG2  THR  49          2HG2      THR  49  -0.922  -1.189 -11.122
  326   3HG2  THR  49          3HG2      THR  49   0.388  -1.207  -9.941
  327    H    LEU  50           H        LEU  50  -1.508   2.071  -8.047
  328    HA   LEU  50           HA       LEU  50  -3.456   1.908  -5.800
  329   1HB   LEU  50          2HB       LEU  50  -1.523   2.546  -4.621
  330   2HB   LEU  50          1HB       LEU  50  -0.931   3.550  -5.946
  331    HG   LEU  50           HG       LEU  50  -3.562   4.402  -5.028
  332   1HD1  LEU  50          1HD1      LEU  50  -2.124   3.424  -2.949
  333   2HD1  LEU  50          2HD1      LEU  50  -3.209   4.809  -2.804
  334   3HD1  LEU  50          3HD1      LEU  50  -1.478   5.062  -3.021
  335   1HD2  LEU  50          1HD2      LEU  50  -2.054   5.722  -6.457
  336   2HD2  LEU  50          2HD2      LEU  50  -0.844   5.742  -5.173
  337   3HD2  LEU  50          3HD2      LEU  50  -2.381   6.574  -4.950
  338    H    SER  51           H        SER  51  -5.213   3.188  -6.205
  339    HA   SER  51           HA       SER  51  -5.354   4.672  -8.698
  340   1HB   SER  51          2HB       SER  51  -7.209   3.375  -7.144
  341   2HB   SER  51          1HB       SER  51  -7.533   5.062  -6.759
  342    HG   SER  51           HG       SER  51  -8.453   5.189  -8.632
  343    H    HIS  52           H        HIS  52  -5.013   5.516  -5.267
  344    HA   HIS  52           HA       HIS  52  -3.959   8.073  -5.832
  345   1HB   HIS  52          2HB       HIS  52  -5.724   9.574  -5.677
  346   2HB   HIS  52          1HB       HIS  52  -6.513   8.244  -6.518
  347    HD1  HIS  52           1HD      HIS  52  -8.023   6.631  -5.009
  348    HD2  HIS  52           2HD      HIS  52  -6.772  10.144  -3.146
  349    HE1  HIS  52           1HE      HIS  52  -9.468   6.905  -2.946
  350    H    PHE  53           H        PHE  53  -2.676   8.190  -4.122
  351    HA   PHE  53           HA       PHE  53  -2.770   6.841  -1.712
  352   1HB   PHE  53          2HB       PHE  53  -1.566   9.404  -2.607
  353   2HB   PHE  53          1HB       PHE  53  -1.705   9.189  -0.864
  354    HD1  PHE  53           1HD      PHE  53  -0.830   7.058  -3.828
  355    HD2  PHE  53           2HD      PHE  53   0.168   8.272   0.167
  356    HE1  PHE  53           1HE      PHE  53   1.134   5.545  -3.861
  357    HE2  PHE  53           2HE      PHE  53   2.135   6.760   0.135
  358    HZ   PHE  53           HZ       PHE  53   2.615   5.396  -1.879
  359    H    GLY  54           H        GLY  54  -4.920   6.706  -0.878
  360   1HA   GLY  54          2HA       GLY  54  -5.723   8.400   1.137
  361   2HA   GLY  54          1HA       GLY  54  -6.434   9.135  -0.300
  362    H    LYS  55           H        LYS  55  -8.061   8.118   1.733
  363    HA   LYS  55           HA       LYS  55  -8.914   5.406   1.177
  364   1HB   LYS  55          2HB       LYS  55  -9.491   6.209   3.331
  365   2HB   LYS  55          1HB       LYS  55 -10.093   7.739   2.698
  366   1HG   LYS  55          2HG       LYS  55 -11.987   6.562   1.641
  367   2HG   LYS  55          1HG       LYS  55 -11.386   5.027   2.269
  368   1HD   LYS  55          2HD       LYS  55 -11.501   6.139   4.591
  369   2HD   LYS  55          1HD       LYS  55 -12.489   7.374   3.811
  370   1HE   LYS  55          2HE       LYS  55 -13.514   4.892   2.932
  371   2HE   LYS  55          1HE       LYS  55 -13.258   4.727   4.669
  372   1HZ   LYS  55          1HZ       LYS  55 -15.455   5.721   3.835
  373   2HZ   LYS  55          2HZ       LYS  55 -14.552   7.136   3.573
  374   3HZ   LYS  55          3HZ       LYS  55 -14.669   6.475   5.134
  375    H    CYS  56           H        CYS  56 -11.226   4.987   0.382
  376    HA   CYS  56           HA       CYS  56 -11.678   6.684  -2.030
  377   1HB   CYS  56          2HB       CYS  56 -12.370   3.817  -1.367
  378   2HB   CYS  56          1HB       CYS  56 -13.087   4.656  -2.743
  Start of MODEL   13
    1   1H    ALA   3          1HT       ALA   3   2.583   5.468 -11.364
    2   2H    ALA   3          2HT       ALA   3   3.675   6.374 -12.299
    3   3H    ALA   3          3HT       ALA   3   2.175   5.912 -12.950
    4    HA   ALA   3           HA       ALA   3   2.091   8.226 -12.348
    5   1HB   ALA   3          1HB       ALA   3   0.507   7.305 -10.103
    6   2HB   ALA   3          2HB       ALA   3   0.323   6.216 -11.478
    7   3HB   ALA   3          3HB       ALA   3  -0.035   7.933 -11.659
    8    H    VAL   4           H        VAL   4   2.051   6.555  -9.196
    9    HA   VAL   4           HA       VAL   4   4.206   8.400  -8.286
   10    HB   VAL   4           HB       VAL   4   1.996   7.793  -6.378
   11   1HG1  VAL   4          1HG1      VAL   4   4.107   9.823  -6.837
   12   2HG1  VAL   4          2HG1      VAL   4   3.478   9.176  -5.323
   13   3HG1  VAL   4          3HG1      VAL   4   2.591  10.437  -6.178
   14   1HG2  VAL   4          1HG2      VAL   4   1.760   9.596  -8.789
   15   2HG2  VAL   4          2HG2      VAL   4   0.870   9.944  -7.307
   16   3HG2  VAL   4          3HG2      VAL   4   0.589   8.431  -8.169
   17    H    SER   5           H        SER   5   2.179   5.660  -7.220
   18    HA   SER   5           HA       SER   5   2.764   3.700  -6.067
   19   1HB   SER   5          2HB       SER   5   4.596   2.548  -6.926
   20   2HB   SER   5          1HB       SER   5   4.295   3.709  -8.216
   21    HG   SER   5           HG       SER   5   6.222   3.810  -6.143
   22    H    VAL   6           H        VAL   6   4.127   2.896  -4.245
   23    HA   VAL   6           HA       VAL   6   5.197   5.197  -2.671
   24    HB   VAL   6           HB       VAL   6   4.900   3.528  -0.730
   25   1HG1  VAL   6          1HG1      VAL   6   2.639   4.740  -2.323
   26   2HG1  VAL   6          2HG1      VAL   6   3.384   5.345  -0.845
   27   3HG1  VAL   6          3HG1      VAL   6   2.346   3.922  -0.788
   28   1HG2  VAL   6          1HG2      VAL   6   4.654   1.573  -2.350
   29   2HG2  VAL   6          2HG2      VAL   6   3.051   2.204  -2.730
   30   3HG2  VAL   6          3HG2      VAL   6   3.422   1.672  -1.091
   31    H    ASP   7           H        ASP   7   6.944   4.374  -1.021
   32    HA   ASP   7           HA       ASP   7   9.039   3.078  -2.658
   33   1HB   ASP   7          2HB       ASP   7   9.384   5.219  -1.280
   34   2HB   ASP   7          1HB       ASP   7   9.362   4.174   0.138
   35    H    CYS   8           H        CYS   8   8.856   0.869  -2.590
   36    HA   CYS   8           HA       CYS   8   8.221  -0.473  -0.025
   37   1HB   CYS   8          2HB       CYS   8   8.642  -1.538  -2.836
   38   2HB   CYS   8          1HB       CYS   8   8.265  -2.548  -1.441
   39    H    SER   9           H        SER   9  10.451   0.662   0.544
   40    HA   SER   9           HA       SER   9  12.958   0.029  -0.273
   41   1HB   SER   9          2HB       SER   9  12.547  -0.480   2.625
   42   2HB   SER   9          1HB       SER   9  13.692   0.591   1.821
   43    HG   SER   9           HG       SER   9  11.870   1.948   1.335
   44    H    GLU  10           H        GLU  10  11.534  -2.092   2.252
   45    HA   GLU  10           HA       GLU  10  12.614  -4.425   0.755
   46   1HB   GLU  10          2HB       GLU  10  13.142  -5.148   3.349
   47   2HB   GLU  10          1HB       GLU  10  14.343  -4.510   2.227
   48   1HG   GLU  10          2HG       GLU  10  13.888  -2.221   3.039
   49   2HG   GLU  10          1HG       GLU  10  12.689  -2.862   4.165
   50    H    TYR  11           H        TYR  11  10.352  -4.818   0.304
   51    HA   TYR  11           HA       TYR  11   8.816  -5.793   2.677
   52   1HB   TYR  11          2HB       TYR  11   8.013  -4.441   0.137
   53   2HB   TYR  11          1HB       TYR  11   6.915  -5.655   0.793
   54    HD1  TYR  11           1HD      TYR  11   5.502  -5.143   2.624
   55    HD2  TYR  11           2HD      TYR  11   8.826  -2.577   1.704
   56    HE1  TYR  11           1HE      TYR  11   4.695  -3.497   4.297
   57    HE2  TYR  11           2HE      TYR  11   8.020  -0.934   3.377
   58    HH   TYR  11           HH       TYR  11   6.561  -0.561   5.032
   59    HA   PRO  12           HA       PRO  12   6.627  -6.668   2.343
   60   1HB   PRO  12          2HB       PRO  12   5.702  -9.000   3.470
   61   2HB   PRO  12          1HB       PRO  12   5.195  -8.412   1.877
   62   1HG   PRO  12          2HG       PRO  12   7.042 -10.653   2.548
   63   2HG   PRO  12          1HG       PRO  12   6.047 -10.414   1.102
   64   1HD   PRO  12          2HD       PRO  12   8.834  -9.940   1.297
   65   2HD   PRO  12          1HD       PRO  12   7.772  -9.412  -0.025
   66    H    LYS  13           H        LYS  13   6.183  -6.745   4.773
   67    HA   LYS  13           HA       LYS  13   8.647  -7.529   6.279
   68   1HB   LYS  13          2HB       LYS  13   6.854  -5.122   6.726
   69   2HB   LYS  13          1HB       LYS  13   8.239  -5.561   7.726
   70   1HG   LYS  13          2HG       LYS  13   9.730  -5.340   5.780
   71   2HG   LYS  13          1HG       LYS  13   8.352  -4.919   4.764
   72   1HD   LYS  13          2HD       LYS  13   8.020  -2.857   5.854
   73   2HD   LYS  13          1HD       LYS  13   8.968  -3.346   7.259
   74   1HE   LYS  13          2HE       LYS  13  10.881  -2.615   6.318
   75   2HE   LYS  13          1HE       LYS  13  10.548  -3.494   4.824
   76   1HZ   LYS  13          1HZ       LYS  13   8.827  -1.244   5.142
   77   2HZ   LYS  13          2HZ       LYS  13   9.846  -1.647   3.843
   78   3HZ   LYS  13          3HZ       LYS  13  10.459  -0.781   5.171
   79    HA   PRO  14           HA       PRO  14   5.820  -9.814   8.780
   80   1HB   PRO  14          2HB       PRO  14   7.532 -10.303  10.873
   81   2HB   PRO  14          1HB       PRO  14   7.616 -11.150   9.319
   82   1HG   PRO  14          2HG       PRO  14   9.411  -9.030  10.399
   83   2HG   PRO  14          1HG       PRO  14   9.754 -10.288   9.199
   84   1HD   PRO  14          2HD       PRO  14   9.215  -7.556   8.649
   85   2HD   PRO  14          1HD       PRO  14   9.278  -8.875   7.462
   86    H    ALA  15           H        ALA  15   6.523  -6.681   9.321
   87    HA   ALA  15           HA       ALA  15   4.782  -6.570  11.705
   88   1HB   ALA  15          1HB       ALA  15   6.332  -5.137  12.964
   89   2HB   ALA  15          2HB       ALA  15   7.529  -5.280  11.677
   90   3HB   ALA  15          3HB       ALA  15   7.085  -6.697  12.629
   91    H    CYS  16           H        CYS  16   3.313  -4.986  11.324
   92    HA   CYS  16           HA       CYS  16   4.023  -2.872   9.348
   93   1HB   CYS  16          2HB       CYS  16   1.412  -4.052  10.278
   94   2HB   CYS  16          1HB       CYS  16   1.448  -2.470   9.504
   95    H    THR  17           H        THR  17   2.249  -0.885  10.053
   96    HA   THR  17           HA       THR  17   2.881  -0.265  12.900
   97    HB   THR  17           HB       THR  17   3.087   2.189  11.673
   98    HG1  THR  17           1HG      THR  17   3.188   1.433   9.625
   99   1HG2  THR  17          1HG2      THR  17   5.421   0.314  12.065
  100   2HG2  THR  17          2HG2      THR  17   4.544   1.030  13.418
  101   3HG2  THR  17          3HG2      THR  17   5.392   2.066  12.270
  102    H    MET  18           H        MET  18   1.501   1.553  13.730
  103    HA   MET  18           HA       MET  18  -1.248   1.235  12.746
  104   1HB   MET  18          2HB       MET  18  -0.302   1.533  15.232
  105   2HB   MET  18          1HB       MET  18  -0.559   3.236  14.856
  106   1HG   MET  18          2HG       MET  18  -2.831   1.731  13.944
  107   2HG   MET  18          1HG       MET  18  -2.509   1.316  15.628
  108   1HE   MET  18          1HE       MET  18  -4.309   4.073  13.382
  109   2HE   MET  18          2HE       MET  18  -5.342   4.106  14.807
  110   3HE   MET  18          3HE       MET  18  -4.814   2.561  14.145
  111    H    GLU  19           H        GLU  19   1.121   2.918  11.452
  112    HA   GLU  19           HA       GLU  19   0.444   5.638  11.385
  113   1HB   GLU  19          2HB       GLU  19   2.429   4.706  10.249
  114   2HB   GLU  19          1HB       GLU  19   1.383   3.913   9.070
  115   1HG   GLU  19          2HG       GLU  19   1.261   5.800   7.851
  116   2HG   GLU  19          1HG       GLU  19   0.677   6.700   9.251
  117    H    TYR  20           H        TYR  20  -1.490   6.568  10.902
  118    HA   TYR  20           HA       TYR  20  -3.529   5.076   9.424
  119   1HB   TYR  20          2HB       TYR  20  -3.605   7.098  11.293
  120   2HB   TYR  20          1HB       TYR  20  -4.006   7.932   9.794
  121    HD1  TYR  20           1HD      TYR  20  -4.740   4.524  11.193
  122    HD2  TYR  20           2HD      TYR  20  -6.295   8.144   9.481
  123    HE1  TYR  20           1HE      TYR  20  -7.028   3.571  11.254
  124    HE2  TYR  20           2HE      TYR  20  -8.583   7.190   9.542
  125    HH   TYR  20           HH       TYR  20  -9.729   5.176   9.713
  126    H    ARG  21           H        ARG  21  -2.835   4.844   7.335
  127    HA   ARG  21           HA       ARG  21  -2.700   7.347   5.729
  128   1HB   ARG  21          2HB       ARG  21  -0.453   5.889   6.297
  129   2HB   ARG  21          1HB       ARG  21  -0.972   5.148   4.783
  130   1HG   ARG  21          2HG       ARG  21   0.456   6.962   4.164
  131   2HG   ARG  21          1HG       ARG  21  -1.190   7.518   3.854
  132   1HD   ARG  21          2HD       ARG  21  -0.589   8.129   6.571
  133   2HD   ARG  21          1HD       ARG  21   0.777   8.669   5.594
  134    HE   ARG  21           HE       ARG  21  -1.119   9.785   4.155
  135   1HH1  ARG  21          1HH2      ARG  21  -0.014  10.962   6.869
  136   2HH1  ARG  21          2HH2      ARG  21  -1.492  11.587   7.519
  137   1HH2  ARG  21          1HH1      ARG  21  -3.512   9.868   5.284
  138   2HH2  ARG  21          2HH1      ARG  21  -3.475  10.968   6.622
  139    HA   PRO  22           HA       PRO  22  -5.717   4.649   3.749
  140   1HB   PRO  22          2HB       PRO  22  -6.970   6.693   2.405
  141   2HB   PRO  22          1HB       PRO  22  -7.328   6.260   4.085
  142   1HG   PRO  22          2HG       PRO  22  -5.780   8.583   3.031
  143   2HG   PRO  22          1HG       PRO  22  -6.692   8.436   4.542
  144   1HD   PRO  22          2HD       PRO  22  -3.886   8.259   4.297
  145   2HD   PRO  22          1HD       PRO  22  -4.838   7.750   5.708
  146    H    LEU  23           H        LEU  23  -5.237   3.568   1.888
  147    HA   LEU  23           HA       LEU  23  -3.992   5.095  -0.357
  148   1HB   LEU  23          2HB       LEU  23  -3.146   2.455   0.846
  149   2HB   LEU  23          1HB       LEU  23  -2.663   2.938  -0.778
  150    HG   LEU  23           HG       LEU  23  -2.197   4.654   1.670
  151   1HD1  LEU  23          1HD1      LEU  23  -0.087   3.714   1.952
  152   2HD1  LEU  23          2HD1      LEU  23  -0.016   3.120   0.294
  153   3HD1  LEU  23          3HD1      LEU  23  -1.019   2.290   1.485
  154   1HD2  LEU  23          1HD2      LEU  23  -1.388   4.737  -1.230
  155   2HD2  LEU  23          2HD2      LEU  23  -0.388   5.519  -0.006
  156   3HD2  LEU  23          3HD2      LEU  23  -2.063   6.025  -0.233
  157    H    CYS  24           H        CYS  24  -5.466   4.992  -1.996
  158    HA   CYS  24           HA       CYS  24  -7.287   2.675  -2.169
  159   1HB   CYS  24          2HB       CYS  24  -8.014   5.102  -2.561
  160   2HB   CYS  24          1HB       CYS  24  -7.125   5.017  -4.082
  161    H    GLY  25           H        GLY  25  -5.606   1.104  -2.712
  162   1HA   GLY  25          2HA       GLY  25  -3.710   1.173  -4.721
  163   2HA   GLY  25          1HA       GLY  25  -4.631  -0.284  -4.347
  164    H    SER  26           H        SER  26  -3.718   0.596  -6.989
  165    HA   SER  26           HA       SER  26  -5.683   1.841  -8.570
  166   1HB   SER  26          2HB       SER  26  -4.535   1.003 -10.399
  167   2HB   SER  26          1HB       SER  26  -3.316   0.803  -9.147
  168    HG   SER  26           HG       SER  26  -4.504  -1.347  -8.884
  169    H    ASP  27           H        ASP  27  -5.893  -1.188  -6.941
  170    HA   ASP  27           HA       ASP  27  -7.965  -2.252  -8.735
  171   1HB   ASP  27          2HB       ASP  27  -7.957  -4.181  -7.343
  172   2HB   ASP  27          1HB       ASP  27  -6.275  -3.663  -7.429
  173    H    ASN  28           H        ASN  28  -8.265   0.334  -7.101
  174    HA   ASN  28           HA       ASN  28 -10.024   1.425  -5.998
  175   1HB   ASN  28          2HB       ASN  28 -11.185  -0.418  -7.754
  176   2HB   ASN  28          1HB       ASN  28 -12.005  -0.695  -6.217
  177   1HD2  ASN  28          1HD2      ASN  28 -10.717   2.346  -7.675
  178   2HD2  ASN  28          2HD2      ASN  28 -12.195   3.177  -7.599
  179    H    LYS  29           H        LYS  29  -8.238  -0.156  -4.399
  180    HA   LYS  29           HA       LYS  29 -10.159  -1.082  -2.290
  181   1HB   LYS  29          2HB       LYS  29  -7.875  -2.433  -3.479
  182   2HB   LYS  29          1HB       LYS  29  -7.710  -2.297  -1.729
  183   1HG   LYS  29          2HG       LYS  29 -10.296  -3.220  -2.977
  184   2HG   LYS  29          1HG       LYS  29  -8.983  -4.353  -2.656
  185   1HD   LYS  29          2HD       LYS  29  -9.338  -4.311  -0.415
  186   2HD   LYS  29          1HD       LYS  29  -9.580  -2.564  -0.399
  187   1HE   LYS  29          2HE       LYS  29 -11.665  -3.661   0.232
  188   2HE   LYS  29          1HE       LYS  29 -11.863  -2.913  -1.352
  189   1HZ   LYS  29          1HZ       LYS  29 -11.151  -5.185  -2.242
  190   2HZ   LYS  29          2HZ       LYS  29 -12.726  -5.032  -1.623
  191   3HZ   LYS  29          3HZ       LYS  29 -11.513  -5.767  -0.690
  192    H    THR  30           H        THR  30  -9.854  -0.282  -0.237
  193    HA   THR  30           HA       THR  30  -7.881   1.901   0.034
  194    HB   THR  30           HB       THR  30 -10.053   0.927   1.917
  195    HG1  THR  30           1HG      THR  30 -10.855   1.884   0.042
  196   1HG2  THR  30          1HG2      THR  30  -9.124   3.645   2.292
  197   2HG2  THR  30          2HG2      THR  30  -7.790   2.502   2.456
  198   3HG2  THR  30          3HG2      THR  30  -9.226   2.332   3.467
  199    H    TYR  31           H        TYR  31  -6.075   1.763   1.354
  200    HA   TYR  31           HA       TYR  31  -5.666  -0.841   2.757
  201   1HB   TYR  31          2HB       TYR  31  -3.903   0.823   1.031
  202   2HB   TYR  31          1HB       TYR  31  -3.155  -0.018   2.387
  203    HD1  TYR  31           1HD      TYR  31  -3.963  -0.320  -0.987
  204    HD2  TYR  31           2HD      TYR  31  -4.124  -2.548   2.681
  205    HE1  TYR  31           1HE      TYR  31  -4.046  -2.435  -2.277
  206    HE2  TYR  31           2HE      TYR  31  -4.206  -4.666   1.390
  207    HH   TYR  31           HH       TYR  31  -4.624  -5.521  -0.708
  208    H    GLY  32           H        GLY  32  -4.483  -0.744   4.749
  209   1HA   GLY  32          2HA       GLY  32  -5.215   1.501   6.396
  210   2HA   GLY  32          1HA       GLY  32  -4.182   0.163   6.894
  211    H    ASN  33           H        ASN  33  -2.310   0.662   4.599
  212    HA   ASN  33           HA       ASN  33  -1.290   3.302   4.660
  213   1HB   ASN  33          2HB       ASN  33   0.601   3.034   6.255
  214   2HB   ASN  33          1HB       ASN  33  -0.966   2.970   7.056
  215   1HD2  ASN  33          1HD2      ASN  33   0.385   1.728   8.757
  216   2HD2  ASN  33          2HD2      ASN  33   0.567   0.055   8.535
  217    H    LYS  34           H        LYS  34   1.383   2.994   4.531
  218    HA   LYS  34           HA       LYS  34   1.801   1.735   1.998
  219   1HB   LYS  34          2HB       LYS  34   3.118   3.673   2.836
  220   2HB   LYS  34          1HB       LYS  34   3.872   2.617   4.032
  221   1HG   LYS  34          2HG       LYS  34   4.554   1.139   2.031
  222   2HG   LYS  34          1HG       LYS  34   4.135   2.524   1.023
  223   1HD   LYS  34          2HD       LYS  34   5.971   2.853   3.388
  224   2HD   LYS  34          1HD       LYS  34   6.597   2.287   1.838
  225   1HE   LYS  34          2HE       LYS  34   6.043   4.286   0.739
  226   2HE   LYS  34          1HE       LYS  34   4.869   4.750   1.972
  227   1HZ   LYS  34          1HZ       LYS  34   7.623   4.412   2.854
  228   2HZ   LYS  34          2HZ       LYS  34   6.462   5.561   3.322
  229   3HZ   LYS  34          3HZ       LYS  34   7.312   5.753   1.862
  230    H    CYS  35           H        CYS  35   1.882   0.433   5.208
  231    HA   CYS  35           HA       CYS  35   3.776  -1.694   4.610
  232   1HB   CYS  35          2HB       CYS  35   3.219  -0.832   6.927
  233   2HB   CYS  35          1HB       CYS  35   1.663  -1.646   6.777
  234    H    ASN  36           H        ASN  36   0.263  -1.296   4.543
  235    HA   ASN  36           HA       ASN  36  -0.181  -4.092   3.777
  236   1HB   ASN  36          2HB       ASN  36  -1.736  -2.084   4.927
  237   2HB   ASN  36          1HB       ASN  36  -2.381  -2.234   3.295
  238   1HD2  ASN  36          1HD2      ASN  36  -1.644  -4.133   6.238
  239   2HD2  ASN  36          2HD2      ASN  36  -2.739  -5.385   5.899
  240    H    PHE  37           H        PHE  37   0.697  -1.192   2.232
  241    HA   PHE  37           HA       PHE  37  -0.550  -1.856  -0.351
  242   1HB   PHE  37          2HB       PHE  37  -0.263   0.517   0.422
  243   2HB   PHE  37          1HB       PHE  37   1.483   0.295   0.312
  244    HD1  PHE  37           1HD      PHE  37   2.615   0.152  -1.811
  245    HD2  PHE  37           2HD      PHE  37  -1.667   0.464  -1.635
  246    HE1  PHE  37           1HE      PHE  37   2.551   0.631  -4.242
  247    HE2  PHE  37           2HE      PHE  37  -1.732   0.943  -4.073
  248    HZ   PHE  37           HZ       PHE  37   0.382   1.026  -5.370
  249    H    CYS  38           H        CYS  38   2.773  -1.619   0.967
  250    HA   CYS  38           HA       CYS  38   4.028  -2.613  -1.427
  251   1HB   CYS  38          2HB       CYS  38   4.910  -2.327   1.442
  252   2HB   CYS  38          1HB       CYS  38   5.935  -3.144   0.265
  253    H    ASN  39           H        ASN  39   2.633  -4.120   1.419
  254    HA   ASN  39           HA       ASN  39   3.701  -6.765   0.804
  255   1HB   ASN  39          2HB       ASN  39   2.217  -5.544   2.946
  256   2HB   ASN  39          1HB       ASN  39   1.359  -6.986   2.405
  257   1HD2  ASN  39          1HD2      ASN  39   2.456  -9.066   2.612
  258   2HD2  ASN  39          2HD2      ASN  39   3.851  -9.240   3.561
  259    H    ALA  40           H        ALA  40   0.550  -5.161   0.459
  260    HA   ALA  40           HA       ALA  40  -0.775  -7.347  -0.827
  261   1HB   ALA  40          1HB       ALA  40  -1.163  -4.360  -0.801
  262   2HB   ALA  40          2HB       ALA  40  -2.238  -5.621  -0.198
  263   3HB   ALA  40          3HB       ALA  40  -2.089  -5.345  -1.934
  264    H    VAL  41           H        VAL  41   1.671  -5.139  -1.812
  265    HA   VAL  41           HA       VAL  41   1.281  -5.524  -4.688
  266    HB   VAL  41           HB       VAL  41   3.486  -4.265  -3.038
  267   1HG1  VAL  41          1HG1      VAL  41   3.215  -4.330  -6.057
  268   2HG1  VAL  41          2HG1      VAL  41   4.359  -5.311  -5.138
  269   3HG1  VAL  41          3HG1      VAL  41   4.500  -3.553  -5.133
  270   1HG2  VAL  41          1HG2      VAL  41   1.986  -2.717  -5.056
  271   2HG2  VAL  41          2HG2      VAL  41   2.412  -2.288  -3.400
  272   3HG2  VAL  41          3HG2      VAL  41   1.006  -3.304  -3.712
  273    H    VAL  42           H        VAL  42   3.222  -6.904  -2.083
  274    HA   VAL  42           HA       VAL  42   5.017  -8.378  -3.803
  275    HB   VAL  42           HB       VAL  42   4.182  -8.791  -0.920
  276   1HG1  VAL  42          1HG1      VAL  42   5.683 -10.505  -2.757
  277   2HG1  VAL  42          2HG1      VAL  42   5.059 -10.866  -1.148
  278   3HG1  VAL  42          3HG1      VAL  42   6.620 -10.064  -1.330
  279   1HG2  VAL  42          1HG2      VAL  42   5.887  -7.384  -0.398
  280   2HG2  VAL  42          2HG2      VAL  42   5.782  -6.863  -2.080
  281   3HG2  VAL  42          3HG2      VAL  42   6.954  -8.094  -1.609
  282    H    GLU  43           H        GLU  43   1.803  -8.961  -2.541
  283    HA   GLU  43           HA       GLU  43   1.822 -11.792  -3.303
  284   1HB   GLU  43          2HB       GLU  43  -0.461 -11.828  -2.542
  285   2HB   GLU  43          1HB       GLU  43   0.451 -10.840  -1.400
  286   1HG   GLU  43          2HG       GLU  43  -0.379  -8.808  -2.351
  287   2HG   GLU  43          1HG       GLU  43  -1.041  -9.654  -3.749
  288    H    SER  44           H        SER  44   0.865  -8.741  -4.745
  289    HA   SER  44           HA       SER  44  -0.680 -10.013  -6.877
  290   1HB   SER  44          2HB       SER  44   0.061  -7.436  -7.718
  291   2HB   SER  44          1HB       SER  44  -1.468  -7.909  -6.985
  292    HG   SER  44           HG       SER  44   0.894  -7.076  -5.643
  293    H    ASN  45           H        ASN  45   2.632  -9.545  -6.249
  294    HA   ASN  45           HA       ASN  45   4.494 -10.163  -7.555
  295   1HB   ASN  45          2HB       ASN  45   2.772 -11.830  -8.526
  296   2HB   ASN  45          1HB       ASN  45   2.615 -10.686  -9.858
  297   1HD2  ASN  45          1HD2      ASN  45   4.563 -13.239  -8.584
  298   2HD2  ASN  45          2HD2      ASN  45   5.843 -13.108  -9.692
  299    H    GLY  46           H        GLY  46   3.074  -7.463  -7.583
  300   1HA   GLY  46          2HA       GLY  46   4.040  -5.444  -8.500
  301   2HA   GLY  46          1HA       GLY  46   4.617  -6.382  -9.881
  302    H    THR  47           H        THR  47   1.575  -7.475  -9.447
  303    HA   THR  47           HA       THR  47   0.547  -5.833 -11.652
  304    HB   THR  47           HB       THR  47  -1.392  -7.355 -11.568
  305    HG1  THR  47           1HG      THR  47  -1.088  -9.125  -9.962
  306   1HG2  THR  47          1HG2      THR  47  -0.197  -9.453 -12.038
  307   2HG2  THR  47          2HG2      THR  47   1.251  -8.810 -11.261
  308   3HG2  THR  47          3HG2      THR  47   0.652  -8.081 -12.750
  309    H    LEU  48           H        LEU  48   0.702  -5.403  -8.369
  310    HA   LEU  48           HA       LEU  48  -1.922  -3.972  -8.267
  311   1HB   LEU  48          2HB       LEU  48  -1.560  -5.712  -6.530
  312   2HB   LEU  48          1HB       LEU  48  -0.119  -4.852  -5.989
  313    HG   LEU  48           HG       LEU  48  -1.619  -2.815  -5.659
  314   1HD1  LEU  48          1HD1      LEU  48  -3.624  -4.940  -6.351
  315   2HD1  LEU  48          2HD1      LEU  48  -3.585  -3.245  -6.835
  316   3HD1  LEU  48          3HD1      LEU  48  -4.067  -3.683  -5.197
  317   1HD2  LEU  48          1HD2      LEU  48  -1.508  -3.463  -3.500
  318   2HD2  LEU  48          2HD2      LEU  48  -1.143  -5.103  -4.036
  319   3HD2  LEU  48          3HD2      LEU  48  -2.815  -4.617  -3.759
  320    H    THR  49           H        THR  49  -1.889  -1.792  -8.188
  321    HA   THR  49           HA       THR  49   0.654  -0.441  -7.400
  322    HB   THR  49           HB       THR  49   0.708   0.877  -9.287
  323    HG1  THR  49           1HG      THR  49  -1.265   1.230 -10.519
  324   1HG2  THR  49          1HG2      THR  49   0.007  -0.466 -11.285
  325   2HG2  THR  49          2HG2      THR  49  -0.796  -1.592 -10.189
  326   3HG2  THR  49          3HG2      THR  49   0.954  -1.386 -10.117
  327    H    LEU  50           H        LEU  50  -0.591   2.146  -7.979
  328    HA   LEU  50           HA       LEU  50  -2.559   2.229  -5.733
  329   1HB   LEU  50          2HB       LEU  50  -0.277   3.227  -5.247
  330   2HB   LEU  50          1HB       LEU  50  -0.625   4.434  -6.483
  331    HG   LEU  50           HG       LEU  50  -2.761   4.958  -5.206
  332   1HD1  LEU  50          1HD1      LEU  50  -1.423   3.658  -2.852
  333   2HD1  LEU  50          2HD1      LEU  50  -2.453   2.692  -3.907
  334   3HD1  LEU  50          3HD1      LEU  50  -3.119   4.093  -3.066
  335   1HD2  LEU  50          1HD2      LEU  50  -0.219   5.944  -4.943
  336   2HD2  LEU  50          2HD2      LEU  50  -0.596   5.507  -3.276
  337   3HD2  LEU  50          3HD2      LEU  50  -1.636   6.632  -4.149
  338    H    SER  51           H        SER  51  -4.151   3.968  -5.901
  339    HA   SER  51           HA       SER  51  -4.599   4.854  -8.720
  340   1HB   SER  51          2HB       SER  51  -6.223   3.152  -7.223
  341   2HB   SER  51          1HB       SER  51  -7.010   4.721  -7.075
  342    HG   SER  51           HG       SER  51  -7.323   3.178  -9.040
  343    H    HIS  52           H        HIS  52  -4.790   5.627  -5.291
  344    HA   HIS  52           HA       HIS  52  -4.310   8.394  -5.725
  345   1HB   HIS  52          2HB       HIS  52  -6.346   9.272  -6.141
  346   2HB   HIS  52          1HB       HIS  52  -7.009   7.646  -6.214
  347    HD1  HIS  52           1HD      HIS  52  -8.745   7.121  -4.497
  348    HD2  HIS  52           2HD      HIS  52  -6.318  10.293  -3.305
  349    HE1  HIS  52           1HE      HIS  52  -9.698   7.970  -2.310
  350    H    PHE  53           H        PHE  53  -2.991   8.441  -3.975
  351    HA   PHE  53           HA       PHE  53  -3.061   7.017  -1.622
  352   1HB   PHE  53          2HB       PHE  53  -2.394   9.965  -1.873
  353   2HB   PHE  53          1HB       PHE  53  -1.881   8.902  -0.569
  354    HD1  PHE  53           1HD      PHE  53  -1.383   9.836  -4.075
  355    HD2  PHE  53           2HD      PHE  53  -0.240   7.105  -0.964
  356    HE1  PHE  53           1HE      PHE  53   0.580   9.129  -5.416
  357    HE2  PHE  53           2HE      PHE  53   1.721   6.395  -2.304
  358    HZ   PHE  53           HZ       PHE  53   2.132   7.407  -4.530
  359    H    GLY  54           H        GLY  54  -5.131   6.629  -0.775
  360   1HA   GLY  54          2HA       GLY  54  -6.230   8.101   1.229
  361   2HA   GLY  54          1HA       GLY  54  -6.926   8.883  -0.192
  362    H    LYS  55           H        LYS  55  -8.628   7.618   1.595
  363    HA   LYS  55           HA       LYS  55  -9.170   4.893   0.639
  364   1HB   LYS  55          2HB       LYS  55  -9.609   5.424   2.983
  365   2HB   LYS  55          1HB       LYS  55 -10.694   6.733   2.513
  366   1HG   LYS  55          2HG       LYS  55 -11.868   4.753   1.149
  367   2HG   LYS  55          1HG       LYS  55 -11.134   3.785   2.427
  368   1HD   LYS  55          2HD       LYS  55 -12.947   6.180   2.841
  369   2HD   LYS  55          1HD       LYS  55 -13.394   4.491   3.085
  370   1HE   LYS  55          2HE       LYS  55 -12.475   4.478   5.140
  371   2HE   LYS  55          1HE       LYS  55 -10.952   5.108   4.515
  372   1HZ   LYS  55          1HZ       LYS  55 -13.243   6.547   5.629
  373   2HZ   LYS  55          2HZ       LYS  55 -12.348   7.308   4.401
  374   3HZ   LYS  55          3HZ       LYS  55 -11.584   6.827   5.841
  375    H    CYS  56           H        CYS  56 -10.556   4.400  -1.014
  376    HA   CYS  56           HA       CYS  56 -11.754   6.587  -2.537
  377   1HB   CYS  56          2HB       CYS  56 -11.600   3.601  -2.859
  378   2HB   CYS  56          1HB       CYS  56 -12.717   4.540  -3.850
  Start of MODEL   14
    1   1H    ALA   3          1HT       ALA   3   5.495   9.119  -9.380
    2   2H    ALA   3          2HT       ALA   3   5.804  10.725  -9.840
    3   3H    ALA   3          3HT       ALA   3   5.199   9.615 -10.974
    4    HA   ALA   3           HA       ALA   3   3.773  11.297  -9.229
    5   1HB   ALA   3          1HB       ALA   3   3.222   9.376 -11.465
    6   2HB   ALA   3          2HB       ALA   3   2.907  11.108 -11.378
    7   3HB   ALA   3          3HB       ALA   3   1.864   9.979 -10.514
    8    H    VAL   4           H        VAL   4   3.992   7.743  -9.460
    9    HA   VAL   4           HA       VAL   4   2.679   7.625  -6.776
   10    HB   VAL   4           HB       VAL   4   2.223   5.171  -8.183
   11   1HG1  VAL   4          1HG1      VAL   4   0.375   7.413  -7.315
   12   2HG1  VAL   4          2HG1      VAL   4   0.868   6.032  -6.335
   13   3HG1  VAL   4          3HG1      VAL   4  -0.145   5.787  -7.758
   14   1HG2  VAL   4          1HG2      VAL   4   2.354   6.250 -10.309
   15   2HG2  VAL   4          2HG2      VAL   4   1.534   7.691  -9.713
   16   3HG2  VAL   4          3HG2      VAL   4   0.632   6.192  -9.932
   17    H    SER   5           H        SER   5   3.037   5.019  -6.138
   18    HA   SER   5           HA       SER   5   4.633   3.426  -5.486
   19   1HB   SER   5          2HB       SER   5   5.886   2.739  -7.228
   20   2HB   SER   5          1HB       SER   5   5.380   4.176  -8.108
   21    HG   SER   5           HG       SER   5   7.561   4.308  -8.015
   22    H    VAL   6           H        VAL   6   5.674   3.702  -3.580
   23    HA   VAL   6           HA       VAL   6   7.843   5.681  -3.346
   24    HB   VAL   6           HB       VAL   6   5.904   5.886  -1.121
   25   1HG1  VAL   6          1HG1      VAL   6   8.152   7.197  -1.833
   26   2HG1  VAL   6          2HG1      VAL   6   6.871   7.954  -0.887
   27   3HG1  VAL   6          3HG1      VAL   6   6.960   8.226  -2.627
   28   1HG2  VAL   6          1HG2      VAL   6   4.468   7.493  -2.361
   29   2HG2  VAL   6          2HG2      VAL   6   4.344   5.863  -3.026
   30   3HG2  VAL   6          3HG2      VAL   6   5.315   7.081  -3.852
   31    H    ASP   7           H        ASP   7   8.529   5.579  -0.853
   32    HA   ASP   7           HA       ASP   7   9.809   4.126   0.515
   33   1HB   ASP   7          2HB       ASP   7   7.527   4.674   1.477
   34   2HB   ASP   7          1HB       ASP   7   7.048   3.076   0.947
   35    H    CYS   8           H        CYS   8   8.319   1.424   1.043
   36    HA   CYS   8           HA       CYS   8   8.496  -0.786   0.247
   37   1HB   CYS   8          2HB       CYS   8   8.303   0.859  -2.146
   38   2HB   CYS   8          1HB       CYS   8   9.360  -0.527  -2.413
   39    H    SER   9           H        SER   9  10.696   0.775   1.369
   40    HA   SER   9           HA       SER   9  13.156   0.464   0.020
   41   1HB   SER   9          2HB       SER   9  12.522   0.389   2.980
   42   2HB   SER   9          1HB       SER   9  14.158   0.467   2.330
   43    HG   SER   9           HG       SER   9  13.829   2.480   1.724
   44    H    GLU  10           H        GLU  10  11.716  -1.782   2.438
   45    HA   GLU  10           HA       GLU  10  13.168  -3.985   1.054
   46   1HB   GLU  10          2HB       GLU  10  13.977  -4.876   3.176
   47   2HB   GLU  10          1HB       GLU  10  14.539  -3.215   2.996
   48   1HG   GLU  10          2HG       GLU  10  12.244  -2.691   4.255
   49   2HG   GLU  10          1HG       GLU  10  12.486  -4.330   4.857
   50    H    TYR  11           H        TYR  11  10.785  -4.216   0.359
   51    HA   TYR  11           HA       TYR  11   9.169  -5.518   2.496
   52   1HB   TYR  11          2HB       TYR  11   8.500  -4.148  -0.078
   53   2HB   TYR  11          1HB       TYR  11   7.419  -5.421   0.491
   54    HD1  TYR  11           1HD      TYR  11   5.961  -5.071   2.363
   55    HD2  TYR  11           2HD      TYR  11   9.017  -2.196   1.430
   56    HE1  TYR  11           1HE      TYR  11   4.981  -3.489   4.009
   57    HE2  TYR  11           2HE      TYR  11   8.037  -0.621   3.074
   58    HH   TYR  11           HH       TYR  11   6.580  -0.441   4.803
   59    HA   PRO  12           HA       PRO  12   7.209  -6.716   2.189
   60   1HB   PRO  12          2HB       PRO  12   6.774  -9.148   3.400
   61   2HB   PRO  12          1HB       PRO  12   6.116  -8.705   1.817
   62   1HG   PRO  12          2HG       PRO  12   8.393 -10.524   2.458
   63   2HG   PRO  12          1HG       PRO  12   7.293 -10.549   1.070
   64   1HD   PRO  12          2HD       PRO  12   9.928  -9.547   1.049
   65   2HD   PRO  12          1HD       PRO  12   8.690  -9.231  -0.186
   66    H    LYS  13           H        LYS  13   7.019  -6.334   4.481
   67    HA   LYS  13           HA       LYS  13   9.615  -6.410   5.889
   68   1HB   LYS  13          2HB       LYS  13   6.962  -5.136   6.636
   69   2HB   LYS  13          1HB       LYS  13   8.476  -4.935   7.522
   70   1HG   LYS  13          2HG       LYS  13   9.436  -4.194   5.203
   71   2HG   LYS  13          1HG       LYS  13   7.744  -3.932   4.784
   72   1HD   LYS  13          2HD       LYS  13   7.768  -1.976   5.882
   73   2HD   LYS  13          1HD       LYS  13   8.197  -2.813   7.376
   74   1HE   LYS  13          2HE       LYS  13  10.087  -1.523   7.191
   75   2HE   LYS  13          1HE       LYS  13  10.599  -2.850   6.147
   76   1HZ   LYS  13          1HZ       LYS  13   9.504  -1.550   4.293
   77   2HZ   LYS  13          2HZ       LYS  13  10.956  -0.918   4.907
   78   3HZ   LYS  13          3HZ       LYS  13   9.470  -0.233   5.359
   79    HA   PRO  14           HA       PRO  14   8.521  -9.725   8.535
   80   1HB   PRO  14          2HB       PRO  14  10.022  -9.053  10.738
   81   2HB   PRO  14          1HB       PRO  14  10.711  -9.711   9.243
   82   1HG   PRO  14          2HG       PRO  14  10.796  -6.917  10.277
   83   2HG   PRO  14          1HG       PRO  14  11.916  -7.742   9.178
   84   1HD   PRO  14          2HD       PRO  14   9.900  -5.890   8.427
   85   2HD   PRO  14          1HD       PRO  14  10.821  -6.940   7.331
   86    H    ALA  15           H        ALA  15   7.158  -6.788   8.930
   87    HA   ALA  15           HA       ALA  15   5.125  -7.571  10.692
   88   1HB   ALA  15          1HB       ALA  15   7.576  -6.535  12.068
   89   2HB   ALA  15          2HB       ALA  15   6.456  -7.800  12.577
   90   3HB   ALA  15          3HB       ALA  15   5.995  -6.104  12.720
   91    H    CYS  16           H        CYS  16   3.543  -6.106  10.331
   92    HA   CYS  16           HA       CYS  16   4.253  -3.457   9.234
   93   1HB   CYS  16          2HB       CYS  16   1.625  -4.923   9.606
   94   2HB   CYS  16          1HB       CYS  16   1.719  -3.268   9.009
   95    H    THR  17           H        THR  17   2.125  -1.917  10.185
   96    HA   THR  17           HA       THR  17   2.380  -1.982  13.150
   97    HB   THR  17           HB       THR  17   2.539   0.652  12.843
   98    HG1  THR  17           1HG      THR  17   2.753   1.075  10.802
   99   1HG2  THR  17          1HG2      THR  17   5.194  -0.035  12.410
  100   2HG2  THR  17          2HG2      THR  17   4.496  -1.507  13.088
  101   3HG2  THR  17          3HG2      THR  17   4.386   0.013  13.976
  102    H    MET  18           H        MET  18   0.768  -0.311  14.109
  103    HA   MET  18           HA       MET  18  -1.811  -0.727  12.751
  104   1HB   MET  18          2HB       MET  18  -1.136   0.598  15.398
  105   2HB   MET  18          1HB       MET  18  -2.769   0.280  14.812
  106   1HG   MET  18          2HG       MET  18  -2.379  -2.108  14.823
  107   2HG   MET  18          1HG       MET  18  -0.672  -1.873  15.199
  108   1HE   MET  18          1HE       MET  18  -3.765  -3.014  16.446
  109   2HE   MET  18          2HE       MET  18  -4.351  -1.353  16.412
  110   3HE   MET  18          3HE       MET  18  -4.184  -2.191  17.954
  111    H    GLU  19           H        GLU  19   0.442   1.307  11.960
  112    HA   GLU  19           HA       GLU  19  -0.456   3.950  12.299
  113   1HB   GLU  19          2HB       GLU  19   1.685   3.358  11.212
  114   2HB   GLU  19          1HB       GLU  19   0.801   2.722   9.824
  115   1HG   GLU  19          2HG       GLU  19   0.090   4.841   9.136
  116   2HG   GLU  19          1HG       GLU  19   0.310   5.543  10.739
  117    H    TYR  20           H        TYR  20  -1.710   5.322  10.784
  118    HA   TYR  20           HA       TYR  20  -3.804   3.721   9.373
  119   1HB   TYR  20          2HB       TYR  20  -4.273   5.368  11.458
  120   2HB   TYR  20          1HB       TYR  20  -4.403   6.524  10.132
  121    HD1  TYR  20           1HD      TYR  20  -5.630   3.206  11.319
  122    HD2  TYR  20           2HD      TYR  20  -6.318   6.568   8.737
  123    HE1  TYR  20           1HE      TYR  20  -7.875   2.315  10.759
  124    HE2  TYR  20           2HE      TYR  20  -8.565   5.678   8.178
  125    HH   TYR  20           HH       TYR  20  -9.534   2.940   8.302
  126    H    ARG  21           H        ARG  21  -3.511   3.837   7.254
  127    HA   ARG  21           HA       ARG  21  -3.192   6.457   5.953
  128   1HB   ARG  21          2HB       ARG  21  -1.111   4.277   5.862
  129   2HB   ARG  21          1HB       ARG  21  -1.301   5.400   4.515
  130   1HG   ARG  21          2HG       ARG  21  -1.234   7.223   6.429
  131   2HG   ARG  21          1HG       ARG  21  -0.409   5.946   7.325
  132   1HD   ARG  21          2HD       ARG  21   1.475   6.125   6.074
  133   2HD   ARG  21          1HD       ARG  21   0.566   6.272   4.569
  134    HE   ARG  21           HE       ARG  21   0.473   8.659   4.902
  135   1HH1  ARG  21          1HH1      ARG  21   0.282   8.530   7.940
  136   2HH1  ARG  21          2HH1      ARG  21   1.806   9.216   8.402
  137   1HH2  ARG  21          1HH2      ARG  21   3.222   8.858   5.257
  138   2HH2  ARG  21          2HH2      ARG  21   3.468   9.402   6.883
  139    HA   PRO  22           HA       PRO  22  -5.997   3.730   3.679
  140   1HB   PRO  22          2HB       PRO  22  -7.541   5.799   2.728
  141   2HB   PRO  22          1HB       PRO  22  -7.772   5.050   4.318
  142   1HG   PRO  22          2HG       PRO  22  -6.550   7.690   3.645
  143   2HG   PRO  22          1HG       PRO  22  -7.387   7.183   5.123
  144   1HD   PRO  22          2HD       PRO  22  -4.591   7.396   4.816
  145   2HD   PRO  22          1HD       PRO  22  -5.428   6.535   6.127
  146    H    LEU  23           H        LEU  23  -4.901   3.019   1.884
  147    HA   LEU  23           HA       LEU  23  -4.151   5.047  -0.180
  148   1HB   LEU  23          2HB       LEU  23  -2.892   2.497   0.754
  149   2HB   LEU  23          1HB       LEU  23  -2.691   2.952  -0.936
  150    HG   LEU  23           HG       LEU  23  -2.241   5.077   1.104
  151   1HD1  LEU  23          1HD1      LEU  23   0.130   4.264   1.375
  152   2HD1  LEU  23          2HD1      LEU  23  -0.362   2.747   0.623
  153   3HD1  LEU  23          3HD1      LEU  23  -1.071   3.240   2.160
  154   1HD2  LEU  23          1HD2      LEU  23  -1.986   5.602  -1.254
  155   2HD2  LEU  23          2HD2      LEU  23  -0.915   4.221  -1.487
  156   3HD2  LEU  23          3HD2      LEU  23  -0.385   5.594  -0.517
  157    H    CYS  24           H        CYS  24  -5.289   4.941  -2.072
  158    HA   CYS  24           HA       CYS  24  -7.147   2.677  -2.457
  159   1HB   CYS  24          2HB       CYS  24  -7.926   5.008  -2.828
  160   2HB   CYS  24          1HB       CYS  24  -6.749   5.175  -4.131
  161    H    GLY  25           H        GLY  25  -5.487   1.062  -2.928
  162   1HA   GLY  25          2HA       GLY  25  -3.447   1.125  -4.787
  163   2HA   GLY  25          1HA       GLY  25  -4.449  -0.306  -4.542
  164    H    SER  26           H        SER  26  -3.306   0.644  -7.062
  165    HA   SER  26           HA       SER  26  -5.030   2.024  -8.769
  166   1HB   SER  26          2HB       SER  26  -2.730   0.524  -9.080
  167   2HB   SER  26          1HB       SER  26  -3.916  -0.385 -10.013
  168    HG   SER  26           HG       SER  26  -2.705   1.929 -10.608
  169    H    ASP  27           H        ASP  27  -5.603  -1.018  -7.245
  170    HA   ASP  27           HA       ASP  27  -7.598  -1.892  -9.214
  171   1HB   ASP  27          2HB       ASP  27  -7.898  -3.803  -7.800
  172   2HB   ASP  27          1HB       ASP  27  -6.167  -3.459  -7.804
  173    H    ASN  28           H        ASN  28  -7.842   0.712  -7.596
  174    HA   ASN  28           HA       ASN  28  -9.572   1.920  -6.576
  175   1HB   ASN  28          2HB       ASN  28 -10.718   0.311  -8.547
  176   2HB   ASN  28          1HB       ASN  28 -11.709   0.008  -7.118
  177   1HD2  ASN  28          1HD2      ASN  28 -11.269   2.164  -9.704
  178   2HD2  ASN  28          2HD2      ASN  28 -12.145   3.478  -9.081
  179    H    LYS  29           H        LYS  29  -8.114   0.080  -4.930
  180    HA   LYS  29           HA       LYS  29 -10.276  -0.697  -3.019
  181   1HB   LYS  29          2HB       LYS  29  -8.747  -2.517  -4.267
  182   2HB   LYS  29          1HB       LYS  29  -7.670  -2.130  -2.923
  183   1HG   LYS  29          2HG       LYS  29 -10.306  -2.371  -1.868
  184   2HG   LYS  29          1HG       LYS  29 -10.013  -3.774  -2.896
  185   1HD   LYS  29          2HD       LYS  29  -8.068  -4.398  -1.671
  186   2HD   LYS  29          1HD       LYS  29  -7.997  -2.839  -0.850
  187   1HE   LYS  29          2HE       LYS  29 -10.056  -3.335   0.363
  188   2HE   LYS  29          1HE       LYS  29 -10.241  -4.850  -0.520
  189   1HZ   LYS  29          1HZ       LYS  29  -8.698  -4.320   1.787
  190   2HZ   LYS  29          2HZ       LYS  29  -7.686  -4.866   0.537
  191   3HZ   LYS  29          3HZ       LYS  29  -9.011  -5.808   1.032
  192    H    THR  30           H        THR  30  -9.936  -0.122  -0.866
  193    HA   THR  30           HA       THR  30  -7.846   1.890  -0.419
  194    HB   THR  30           HB       THR  30  -9.938   0.757   1.465
  195    HG1  THR  30           1HG      THR  30  -9.887   2.785  -0.435
  196   1HG2  THR  30          1HG2      THR  30  -7.813   2.846   1.723
  197   2HG2  THR  30          2HG2      THR  30  -8.420   1.707   2.926
  198   3HG2  THR  30          3HG2      THR  30  -9.365   3.135   2.510
  199    H    TYR  31           H        TYR  31  -6.201   1.696   1.211
  200    HA   TYR  31           HA       TYR  31  -5.605  -1.129   1.984
  201   1HB   TYR  31          2HB       TYR  31  -3.929   1.019   0.806
  202   2HB   TYR  31          1HB       TYR  31  -3.170  -0.010   2.016
  203    HD1  TYR  31           1HD      TYR  31  -3.407   0.326  -1.353
  204    HD2  TYR  31           2HD      TYR  31  -4.203  -2.628   1.664
  205    HE1  TYR  31           1HE      TYR  31  -3.189  -1.468  -3.053
  206    HE2  TYR  31           2HE      TYR  31  -3.983  -4.421  -0.036
  207    HH   TYR  31           HH       TYR  31  -3.763  -4.875  -2.207
  208    H    GLY  32           H        GLY  32  -4.507  -1.395   4.019
  209   1HA   GLY  32          2HA       GLY  32  -5.543   0.346   6.084
  210   2HA   GLY  32          1HA       GLY  32  -4.444  -1.011   6.340
  211    H    ASN  33           H        ASN  33  -2.487   0.093   4.372
  212    HA   ASN  33           HA       ASN  33  -1.647   2.700   5.035
  213   1HB   ASN  33          2HB       ASN  33   0.130   2.261   6.708
  214   2HB   ASN  33          1HB       ASN  33  -1.468   1.899   7.354
  215   1HD2  ASN  33          1HD2      ASN  33   0.445   0.603   8.719
  216   2HD2  ASN  33          2HD2      ASN  33   0.584  -1.023   8.256
  217    H    LYS  34           H        LYS  34   1.024   2.629   4.977
  218    HA   LYS  34           HA       LYS  34   1.629   1.777   2.306
  219   1HB   LYS  34          2HB       LYS  34   3.888   2.565   2.771
  220   2HB   LYS  34          1HB       LYS  34   2.722   3.703   3.452
  221   1HG   LYS  34          2HG       LYS  34   3.312   3.226   5.601
  222   2HG   LYS  34          1HG       LYS  34   3.525   1.506   5.262
  223   1HD   LYS  34          2HD       LYS  34   5.745   1.931   5.408
  224   2HD   LYS  34          1HD       LYS  34   5.570   2.655   3.809
  225   1HE   LYS  34          2HE       LYS  34   4.793   4.448   6.005
  226   2HE   LYS  34          1HE       LYS  34   6.493   3.980   6.041
  227   1HZ   LYS  34          1HZ       LYS  34   5.063   5.614   4.128
  228   2HZ   LYS  34          2HZ       LYS  34   6.136   4.487   3.443
  229   3HZ   LYS  34          3HZ       LYS  34   6.702   5.633   4.563
  230    H    CYS  35           H        CYS  35   1.839   0.114   5.369
  231    HA   CYS  35           HA       CYS  35   3.879  -1.769   4.460
  232   1HB   CYS  35          2HB       CYS  35   3.365  -1.169   6.885
  233   2HB   CYS  35          1HB       CYS  35   1.910  -2.148   6.716
  234    H    ASN  36           H        ASN  36   0.395  -1.516   4.432
  235    HA   ASN  36           HA       ASN  36   0.011  -4.282   3.522
  236   1HB   ASN  36          2HB       ASN  36  -1.584  -2.319   4.753
  237   2HB   ASN  36          1HB       ASN  36  -2.239  -2.490   3.129
  238   1HD2  ASN  36          1HD2      ASN  36  -1.970  -4.001   6.232
  239   2HD2  ASN  36          2HD2      ASN  36  -2.783  -5.438   5.841
  240    H    PHE  37           H        PHE  37   0.732  -1.208   2.232
  241    HA   PHE  37           HA       PHE  37  -0.427  -1.678  -0.417
  242   1HB   PHE  37          2HB       PHE  37  -0.231   0.613   0.515
  243   2HB   PHE  37          1HB       PHE  37   1.523   0.433   0.555
  244    HD1  PHE  37           1HD      PHE  37   2.767   1.175  -1.266
  245    HD2  PHE  37           2HD      PHE  37  -1.344   0.065  -1.843
  246    HE1  PHE  37           1HE      PHE  37   2.910   1.880  -3.638
  247    HE2  PHE  37           2HE      PHE  37  -1.202   0.771  -4.217
  248    HZ   PHE  37           HZ       PHE  37   0.927   1.675  -5.115
  249    H    CYS  38           H        CYS  38   2.870  -1.475   0.958
  250    HA   CYS  38           HA       CYS  38   4.142  -2.269  -1.508
  251   1HB   CYS  38          2HB       CYS  38   5.015  -1.938   1.336
  252   2HB   CYS  38          1HB       CYS  38   6.040  -2.874   0.248
  253    H    ASN  39           H        ASN  39   2.938  -3.984   1.324
  254    HA   ASN  39           HA       ASN  39   4.067  -6.536   0.476
  255   1HB   ASN  39          2HB       ASN  39   2.078  -5.686   2.578
  256   2HB   ASN  39          1HB       ASN  39   2.299  -7.394   2.197
  257   1HD2  ASN  39          1HD2      ASN  39   4.467  -8.331   2.581
  258   2HD2  ASN  39          2HD2      ASN  39   5.541  -7.579   3.659
  259    H    ALA  40           H        ALA  40   0.881  -4.975   0.309
  260    HA   ALA  40           HA       ALA  40  -0.493  -7.135  -0.941
  261   1HB   ALA  40          1HB       ALA  40  -1.928  -5.285  -1.940
  262   2HB   ALA  40          2HB       ALA  40  -0.843  -4.132  -1.164
  263   3HB   ALA  40          3HB       ALA  40  -1.789  -5.252  -0.182
  264    H    VAL  41           H        VAL  41   1.930  -4.926  -2.010
  265    HA   VAL  41           HA       VAL  41   1.489  -5.247  -4.862
  266    HB   VAL  41           HB       VAL  41   3.701  -4.137  -3.145
  267   1HG1  VAL  41          1HG1      VAL  41   4.807  -3.551  -5.411
  268   2HG1  VAL  41          2HG1      VAL  41   3.852  -4.881  -6.067
  269   3HG1  VAL  41          3HG1      VAL  41   5.032  -5.187  -4.793
  270   1HG2  VAL  41          1HG2      VAL  41   3.082  -2.353  -5.153
  271   2HG2  VAL  41          2HG2      VAL  41   2.354  -2.352  -3.547
  272   3HG2  VAL  41          3HG2      VAL  41   1.536  -3.161  -4.884
  273    H    VAL  42           H        VAL  42   3.485  -6.837  -2.394
  274    HA   VAL  42           HA       VAL  42   4.691  -8.611  -4.419
  275    HB   VAL  42           HB       VAL  42   4.856  -8.707  -1.389
  276   1HG1  VAL  42          1HG1      VAL  42   5.381 -10.854  -2.507
  277   2HG1  VAL  42          2HG1      VAL  42   6.827 -10.129  -1.805
  278   3HG1  VAL  42          3HG1      VAL  42   6.542 -10.024  -3.542
  279   1HG2  VAL  42          1HG2      VAL  42   5.740  -6.610  -2.487
  280   2HG2  VAL  42          2HG2      VAL  42   6.855  -7.629  -3.397
  281   3HG2  VAL  42          3HG2      VAL  42   6.969  -7.549  -1.639
  282    H    GLU  43           H        GLU  43   1.795  -8.480  -2.700
  283    HA   GLU  43           HA       GLU  43   1.459 -11.434  -2.664
  284   1HB   GLU  43          2HB       GLU  43  -0.460  -9.278  -1.723
  285   2HB   GLU  43          1HB       GLU  43  -0.574 -11.007  -1.397
  286   1HG   GLU  43          2HG       GLU  43   2.012 -10.249  -0.569
  287   2HG   GLU  43          1HG       GLU  43   0.933  -8.988   0.027
  288    H    SER  44           H        SER  44   0.939  -8.792  -4.698
  289    HA   SER  44           HA       SER  44  -1.313 -10.179  -6.083
  290   1HB   SER  44          2HB       SER  44  -0.918  -7.448  -5.400
  291   2HB   SER  44          1HB       SER  44  -0.788  -7.564  -7.153
  292    HG   SER  44           HG       SER  44  -2.774  -8.905  -6.943
  293    H    ASN  45           H        ASN  45   1.706 -10.632  -6.230
  294    HA   ASN  45           HA       ASN  45   3.104 -11.408  -7.933
  295   1HB   ASN  45          2HB       ASN  45   1.088 -10.370  -9.899
  296   2HB   ASN  45          1HB       ASN  45   2.222 -11.701 -10.104
  297   1HD2  ASN  45          1HD2      ASN  45   1.744 -13.733  -8.913
  298   2HD2  ASN  45          2HD2      ASN  45   0.169 -14.053  -8.365
  299    H    GLY  46           H        GLY  46   2.505  -8.370  -7.103
  300   1HA   GLY  46          2HA       GLY  46   3.889  -6.467  -7.414
  301   2HA   GLY  46          1HA       GLY  46   4.731  -7.332  -8.701
  302    H    THR  47           H        THR  47   1.463  -7.631  -9.261
  303    HA   THR  47           HA       THR  47   1.595  -5.587 -11.391
  304    HB   THR  47           HB       THR  47  -0.925  -6.815 -11.450
  305    HG1  THR  47           1HG      THR  47  -0.546  -8.925 -11.061
  306   1HG2  THR  47          1HG2      THR  47   0.036  -6.581 -13.519
  307   2HG2  THR  47          2HG2      THR  47   0.479  -8.264 -13.231
  308   3HG2  THR  47          3HG2      THR  47   1.650  -6.979 -12.929
  309    H    LEU  48           H        LEU  48   0.561  -5.758  -8.193
  310    HA   LEU  48           HA       LEU  48  -1.722  -3.910  -8.552
  311   1HB   LEU  48          2HB       LEU  48  -1.806  -5.744  -6.853
  312   2HB   LEU  48          1HB       LEU  48  -0.472  -4.969  -5.998
  313    HG   LEU  48           HG       LEU  48  -2.610  -3.082  -6.610
  314   1HD1  LEU  48          1HD1      LEU  48  -3.237  -5.598  -5.054
  315   2HD1  LEU  48          2HD1      LEU  48  -4.159  -4.878  -6.374
  316   3HD1  LEU  48          3HD1      LEU  48  -4.120  -4.094  -4.795
  317   1HD2  LEU  48          1HD2      LEU  48  -0.607  -3.067  -4.908
  318   2HD2  LEU  48          2HD2      LEU  48  -1.720  -3.960  -3.872
  319   3HD2  LEU  48          3HD2      LEU  48  -2.145  -2.343  -4.436
  320    H    THR  49           H        THR  49  -1.500  -1.744  -8.409
  321    HA   THR  49           HA       THR  49   0.983  -0.650  -7.144
  322    HB   THR  49           HB       THR  49   1.080   1.056  -8.850
  323    HG1  THR  49           1HG      THR  49  -0.512   0.828 -10.607
  324   1HG2  THR  49          1HG2      THR  49   0.609  -1.012 -10.800
  325   2HG2  THR  49          2HG2      THR  49   1.379  -1.704  -9.373
  326   3HG2  THR  49          3HG2      THR  49   2.145  -0.364 -10.227
  327    H    LEU  50           H        LEU  50  -0.074   2.056  -7.762
  328    HA   LEU  50           HA       LEU  50  -2.141   2.167  -5.613
  329   1HB   LEU  50          2HB       LEU  50   0.055   3.304  -5.130
  330   2HB   LEU  50          1HB       LEU  50  -0.268   4.383  -6.487
  331    HG   LEU  50           HG       LEU  50  -2.305   5.184  -5.422
  332   1HD1  LEU  50          1HD1      LEU  50  -1.894   2.782  -3.804
  333   2HD1  LEU  50          2HD1      LEU  50  -3.366   3.721  -4.058
  334   3HD1  LEU  50          3HD1      LEU  50  -2.214   4.207  -2.815
  335   1HD2  LEU  50          1HD2      LEU  50  -0.814   5.523  -3.017
  336   2HD2  LEU  50          2HD2      LEU  50  -0.979   6.657  -4.357
  337   3HD2  LEU  50          3HD2      LEU  50   0.337   5.483  -4.351
  338    H    SER  51           H        SER  51  -3.686   4.034  -5.869
  339    HA   SER  51           HA       SER  51  -4.173   4.697  -8.739
  340   1HB   SER  51          2HB       SER  51  -6.199   3.700  -8.718
  341   2HB   SER  51          1HB       SER  51  -5.737   2.965  -7.189
  342    HG   SER  51           HG       SER  51  -7.346   5.182  -7.719
  343    H    HIS  52           H        HIS  52  -4.482   5.590  -5.342
  344    HA   HIS  52           HA       HIS  52  -4.131   8.343  -5.804
  345   1HB   HIS  52          2HB       HIS  52  -6.145   9.062  -6.523
  346   2HB   HIS  52          1HB       HIS  52  -6.783   7.426  -6.434
  347    HD1  HIS  52           1HD      HIS  52  -8.177   6.790  -4.362
  348    HD2  HIS  52           2HD      HIS  52  -6.729  10.698  -4.238
  349    HE1  HIS  52           1HE      HIS  52  -9.383   7.942  -2.454
  350    H    PHE  53           H        PHE  53  -3.024   8.538  -3.924
  351    HA   PHE  53           HA       PHE  53  -3.231   7.158  -1.556
  352   1HB   PHE  53          2HB       PHE  53  -2.625  10.080  -2.039
  353   2HB   PHE  53          1HB       PHE  53  -2.493   9.344  -0.446
  354    HD1  PHE  53           1HD      PHE  53  -1.156   9.357  -3.886
  355    HD2  PHE  53           2HD      PHE  53  -0.744   7.748   0.075
  356    HE1  PHE  53           1HE      PHE  53   1.081   8.466  -4.481
  357    HE2  PHE  53           2HE      PHE  53   1.494   6.858  -0.519
  358    HZ   PHE  53           HZ       PHE  53   2.406   7.218  -2.798
  359    H    GLY  54           H        GLY  54  -5.058   6.709  -0.427
  360   1HA   GLY  54          2HA       GLY  54  -6.570   7.980   1.252
  361   2HA   GLY  54          1HA       GLY  54  -7.132   8.844  -0.182
  362    H    LYS  55           H        LYS  55  -8.952   7.403   1.349
  363    HA   LYS  55           HA       LYS  55  -9.320   4.729   0.244
  364   1HB   LYS  55          2HB       LYS  55 -10.143   5.278   2.499
  365   2HB   LYS  55          1HB       LYS  55 -11.212   6.508   1.821
  366   1HG   LYS  55          2HG       LYS  55 -11.923   4.351   0.319
  367   2HG   LYS  55          1HG       LYS  55 -11.498   3.560   1.837
  368   1HD   LYS  55          2HD       LYS  55 -13.571   4.124   2.543
  369   2HD   LYS  55          1HD       LYS  55 -12.956   5.772   2.665
  370   1HE   LYS  55          2HE       LYS  55 -14.654   6.240   1.215
  371   2HE   LYS  55          1HE       LYS  55 -13.515   5.651   0.003
  372   1HZ   LYS  55          1HZ       LYS  55 -15.130   3.654   1.383
  373   2HZ   LYS  55          2HZ       LYS  55 -14.622   3.713  -0.238
  374   3HZ   LYS  55          3HZ       LYS  55 -15.939   4.656   0.277
  375    H    CYS  56           H        CYS  56 -10.657   4.148  -1.466
  376    HA   CYS  56           HA       CYS  56 -11.587   6.365  -3.185
  377   1HB   CYS  56          2HB       CYS  56 -11.087   3.437  -3.541
  378   2HB   CYS  56          1HB       CYS  56 -12.245   4.219  -4.620
  Start of MODEL   15
    1   1H    ALA   3          1HT       ALA   3   9.096  10.093 -11.549
    2   2H    ALA   3          2HT       ALA   3  10.226   9.800 -10.315
    3   3H    ALA   3          3HT       ALA   3   8.802  10.665  -9.979
    4    HA   ALA   3           HA       ALA   3   7.877   8.327 -11.023
    5   1HB   ALA   3          1HB       ALA   3   9.053   6.566  -9.837
    6   2HB   ALA   3          2HB       ALA   3  10.121   7.741  -9.068
    7   3HB   ALA   3          3HB       ALA   3  10.226   7.459 -10.806
    8    H    VAL   4           H        VAL   4   6.176   7.739  -9.690
    9    HA   VAL   4           HA       VAL   4   6.108   9.050  -7.005
   10    HB   VAL   4           HB       VAL   4   4.482   9.887  -8.754
   11   1HG1  VAL   4          1HG1      VAL   4   4.060   7.116  -9.114
   12   2HG1  VAL   4          2HG1      VAL   4   3.238   8.444  -9.931
   13   3HG1  VAL   4          3HG1      VAL   4   2.564   7.768  -8.447
   14   1HG2  VAL   4          1HG2      VAL   4   3.328  10.514  -6.932
   15   2HG2  VAL   4          2HG2      VAL   4   4.034   9.182  -6.017
   16   3HG2  VAL   4          3HG2      VAL   4   2.531   8.941  -6.906
   17    H    SER   5           H        SER   5   3.459   7.222  -6.844
   18    HA   SER   5           HA       SER   5   2.967   5.050  -6.105
   19   1HB   SER   5          2HB       SER   5   4.141   3.468  -7.191
   20   2HB   SER   5          1HB       SER   5   5.288   4.699  -7.704
   21    HG   SER   5           HG       SER   5   6.379   4.356  -5.701
   22    H    VAL   6           H        VAL   6   3.506   3.688  -4.159
   23    HA   VAL   6           HA       VAL   6   4.558   5.417  -2.027
   24    HB   VAL   6           HB       VAL   6   3.718   2.556  -1.627
   25   1HG1  VAL   6          1HG1      VAL   6   2.707   3.670   0.437
   26   2HG1  VAL   6          2HG1      VAL   6   3.558   5.136  -0.051
   27   3HG1  VAL   6          3HG1      VAL   6   4.469   3.680   0.352
   28   1HG2  VAL   6          1HG2      VAL   6   1.373   3.808  -1.295
   29   2HG2  VAL   6          2HG2      VAL   6   1.848   3.138  -2.853
   30   3HG2  VAL   6          3HG2      VAL   6   2.049   4.859  -2.539
   31    H    ASP   7           H        ASP   7   6.196   4.564  -0.483
   32    HA   ASP   7           HA       ASP   7   8.460   3.422  -1.925
   33   1HB   ASP   7          2HB       ASP   7   9.004   5.075  -0.292
   34   2HB   ASP   7          1HB       ASP   7   8.023   4.286   0.943
   35    H    CYS   8           H        CYS   8   9.042   1.293  -1.952
   36    HA   CYS   8           HA       CYS   8   7.640  -0.540  -0.043
   37   1HB   CYS   8          2HB       CYS   8   8.392  -1.016  -2.943
   38   2HB   CYS   8          1HB       CYS   8   7.787  -2.264  -1.854
   39    H    SER   9           H        SER   9   9.838   0.290   1.025
   40    HA   SER   9           HA       SER   9  12.384  -0.507   0.321
   41   1HB   SER   9          2HB       SER   9  11.591   0.641   2.477
   42   2HB   SER   9          1HB       SER   9  11.324  -0.981   3.108
   43    HG   SER   9           HG       SER   9  13.565   0.331   3.088
   44    H    GLU  10           H        GLU  10  12.161  -2.445  -0.927
   45    HA   GLU  10           HA       GLU  10  12.023  -4.770  -1.305
   46   1HB   GLU  10          2HB       GLU  10  13.388  -5.927   0.707
   47   2HB   GLU  10          1HB       GLU  10  14.180  -5.018  -0.578
   48   1HG   GLU  10          2HG       GLU  10  13.984  -2.959   0.874
   49   2HG   GLU  10          1HG       GLU  10  13.430  -4.012   2.179
   50    H    TYR  11           H        TYR  11   9.735  -5.009  -0.957
   51    HA   TYR  11           HA       TYR  11   8.874  -5.854   1.748
   52   1HB   TYR  11          2HB       TYR  11   7.530  -4.983  -0.774
   53   2HB   TYR  11          1HB       TYR  11   6.606  -5.966   0.360
   54    HD1  TYR  11           1HD      TYR  11   5.571  -4.894   2.199
   55    HD2  TYR  11           2HD      TYR  11   8.930  -3.061   0.265
   56    HE1  TYR  11           1HE      TYR  11   5.326  -2.902   3.664
   57    HE2  TYR  11           2HE      TYR  11   8.698  -1.085   1.715
   58    HH   TYR  11           HH       TYR  11   7.735  -0.384   3.739
   59    HA   PRO  12           HA       PRO  12   6.506  -6.770   1.806
   60   1HB   PRO  12          2HB       PRO  12   5.680  -8.880   3.339
   61   2HB   PRO  12          1HB       PRO  12   5.061  -8.550   1.712
   62   1HG   PRO  12          2HG       PRO  12   6.950 -10.672   2.604
   63   2HG   PRO  12          1HG       PRO  12   5.870 -10.648   1.202
   64   1HD   PRO  12          2HD       PRO  12   8.668 -10.166   1.172
   65   2HD   PRO  12          1HD       PRO  12   7.535  -9.883  -0.166
   66    H    LYS  13           H        LYS  13   6.280  -6.277   4.118
   67    HA   LYS  13           HA       LYS  13   8.551  -7.147   5.827
   68   1HB   LYS  13          2HB       LYS  13   7.667  -4.270   5.826
   69   2HB   LYS  13          1HB       LYS  13   9.176  -4.952   6.424
   70   1HG   LYS  13          2HG       LYS  13   8.412  -5.003   3.498
   71   2HG   LYS  13          1HG       LYS  13   9.299  -3.665   4.213
   72   1HD   LYS  13          2HD       LYS  13  10.226  -6.370   3.492
   73   2HD   LYS  13          1HD       LYS  13  11.131  -4.867   3.614
   74   1HE   LYS  13          2HE       LYS  13  10.231  -6.449   6.036
   75   2HE   LYS  13          1HE       LYS  13  11.808  -6.649   5.277
   76   1HZ   LYS  13          1HZ       LYS  13  12.507  -4.925   6.443
   77   2HZ   LYS  13          2HZ       LYS  13  10.953  -4.651   7.071
   78   3HZ   LYS  13          3HZ       LYS  13  11.419  -3.928   5.608
   79    HA   PRO  14           HA       PRO  14   4.931  -7.455   8.442
   80   1HB   PRO  14          2HB       PRO  14   6.196  -8.876  10.424
   81   2HB   PRO  14          1HB       PRO  14   5.591  -9.609   8.928
   82   1HG   PRO  14          2HG       PRO  14   8.401  -9.018   9.723
   83   2HG   PRO  14          1HG       PRO  14   7.788 -10.228   8.585
   84   1HD   PRO  14          2HD       PRO  14   8.960  -7.731   7.907
   85   2HD   PRO  14          1HD       PRO  14   8.100  -8.825   6.803
   86    H    ALA  15           H        ALA  15   7.447  -5.416   8.684
   87    HA   ALA  15           HA       ALA  15   6.987  -4.703  11.539
   88   1HB   ALA  15          1HB       ALA  15   9.281  -4.676  11.290
   89   2HB   ALA  15          2HB       ALA  15   8.930  -3.011  10.825
   90   3HB   ALA  15          3HB       ALA  15   9.197  -4.236   9.584
   91    H    CYS  16           H        CYS  16   4.899  -3.734  11.176
   92    HA   CYS  16           HA       CYS  16   5.105  -0.957  10.175
   93   1HB   CYS  16          2HB       CYS  16   2.611  -2.263   9.304
   94   2HB   CYS  16          1HB       CYS  16   3.638  -1.122   8.445
   95    H    THR  17           H        THR  17   3.111   0.297  10.822
   96    HA   THR  17           HA       THR  17   2.126  -0.735  13.433
   97    HB   THR  17           HB       THR  17   1.283   1.946  12.997
   98    HG1  THR  17           1HG      THR  17   4.064   1.769  12.703
   99   1HG2  THR  17          1HG2      THR  17   3.227   0.494  14.755
  100   2HG2  THR  17          2HG2      THR  17   1.745   1.342  15.195
  101   3HG2  THR  17          3HG2      THR  17   3.198   2.256  14.784
  102    H    MET  18           H        MET  18  -0.233   0.324  13.843
  103    HA   MET  18           HA       MET  18  -1.906  -0.847  11.718
  104   1HB   MET  18          2HB       MET  18  -2.306  -0.001  14.553
  105   2HB   MET  18          1HB       MET  18  -3.714   0.028  13.491
  106   1HG   MET  18          2HG       MET  18  -3.021  -2.349  12.789
  107   2HG   MET  18          1HG       MET  18  -1.958  -2.325  14.196
  108   1HE   MET  18          1HE       MET  18  -4.401  -1.419  17.052
  109   2HE   MET  18          2HE       MET  18  -3.084  -0.692  16.136
  110   3HE   MET  18          3HE       MET  18  -2.894  -2.312  16.802
  111    H    GLU  19           H        GLU  19  -0.390   1.802  11.501
  112    HA   GLU  19           HA       GLU  19  -1.923   4.082  11.584
  113   1HB   GLU  19          2HB       GLU  19   0.258   4.295  10.686
  114   2HB   GLU  19          1HB       GLU  19  -0.044   3.085   9.440
  115   1HG   GLU  19          2HG       GLU  19  -0.926   4.618   8.035
  116   2HG   GLU  19          1HG       GLU  19  -1.935   5.309   9.306
  117    H    TYR  20           H        TYR  20  -3.817   4.745  10.705
  118    HA   TYR  20           HA       TYR  20  -5.233   2.891   8.896
  119   1HB   TYR  20          2HB       TYR  20  -6.193   4.141  10.981
  120   2HB   TYR  20          1HB       TYR  20  -6.332   5.496   9.862
  121    HD1  TYR  20           1HD      TYR  20  -8.513   5.723   9.071
  122    HD2  TYR  20           2HD      TYR  20  -6.853   1.790   9.546
  123    HE1  TYR  20           1HE      TYR  20 -10.583   4.738   8.124
  124    HE2  TYR  20           2HE      TYR  20  -8.923   0.803   8.600
  125    HH   TYR  20           HH       TYR  20 -11.788   2.541   8.232
  126    H    ARG  21           H        ARG  21  -3.072   4.139   7.644
  127    HA   ARG  21           HA       ARG  21  -4.021   6.484   6.181
  128   1HB   ARG  21          2HB       ARG  21  -1.545   5.767   6.709
  129   2HB   ARG  21          1HB       ARG  21  -1.719   4.792   5.252
  130   1HG   ARG  21          2HG       ARG  21  -1.681   6.608   3.889
  131   2HG   ARG  21          1HG       ARG  21  -2.713   7.547   4.969
  132   1HD   ARG  21          2HD       ARG  21   0.116   6.960   5.783
  133   2HD   ARG  21          1HD       ARG  21  -0.203   8.255   4.628
  134    HE   ARG  21           HE       ARG  21  -1.968   8.817   6.655
  135   1HH1  ARG  21          1HH2      ARG  21   1.406   8.700   6.138
  136   2HH1  ARG  21          2HH2      ARG  21   1.816   9.371   7.683
  137   1HH2  ARG  21          1HH1      ARG  21  -1.458   9.426   8.822
  138   2HH2  ARG  21          2HH1      ARG  21   0.193   9.782   9.201
  139    HA   PRO  22           HA       PRO  22  -6.255   3.710   3.465
  140   1HB   PRO  22          2HB       PRO  22  -7.661   5.709   2.204
  141   2HB   PRO  22          1HB       PRO  22  -8.109   5.032   3.779
  142   1HG   PRO  22          2HG       PRO  22  -6.847   7.662   3.160
  143   2HG   PRO  22          1HG       PRO  22  -7.853   7.195   4.542
  144   1HD   PRO  22          2HD       PRO  22  -5.032   7.443   4.548
  145   2HD   PRO  22          1HD       PRO  22  -6.019   6.679   5.812
  146    H    LEU  23           H        LEU  23  -5.198   2.908   1.715
  147    HA   LEU  23           HA       LEU  23  -4.096   4.847  -0.275
  148   1HB   LEU  23          2HB       LEU  23  -2.946   2.316   0.865
  149   2HB   LEU  23          1HB       LEU  23  -2.513   2.806  -0.776
  150    HG   LEU  23           HG       LEU  23  -2.424   5.025   1.124
  151   1HD1  LEU  23          1HD1      LEU  23  -1.045   4.222   2.725
  152   2HD1  LEU  23          2HD1      LEU  23  -0.066   3.344   1.549
  153   3HD1  LEU  23          3HD1      LEU  23  -1.540   2.617   2.188
  154   1HD2  LEU  23          1HD2      LEU  23  -0.066   5.102   0.068
  155   2HD2  LEU  23          2HD2      LEU  23  -1.441   5.317  -1.015
  156   3HD2  LEU  23          3HD2      LEU  23  -0.614   3.760  -0.937
  157    H    CYS  24           H        CYS  24  -5.304   4.730  -2.096
  158    HA   CYS  24           HA       CYS  24  -6.832   2.271  -2.658
  159   1HB   CYS  24          2HB       CYS  24  -7.799   4.606  -2.936
  160   2HB   CYS  24          1HB       CYS  24  -6.708   4.818  -4.303
  161    H    GLY  25           H        GLY  25  -5.071   0.860  -3.186
  162   1HA   GLY  25          2HA       GLY  25  -2.942   1.346  -4.944
  163   2HA   GLY  25          1HA       GLY  25  -3.690  -0.238  -4.736
  164    H    SER  26           H        SER  26  -2.672   0.929  -7.236
  165    HA   SER  26           HA       SER  26  -4.699   1.979  -8.901
  166   1HB   SER  26          2HB       SER  26  -3.382   0.906 -10.775
  167   2HB   SER  26          1HB       SER  26  -2.426   1.907  -9.684
  168    HG   SER  26           HG       SER  26  -2.311  -0.775 -10.170
  169    H    ASP  27           H        ASP  27  -4.522  -1.127  -7.463
  170    HA   ASP  27           HA       ASP  27  -6.140  -2.463  -9.517
  171   1HB   ASP  27          2HB       ASP  27  -5.995  -4.401  -8.130
  172   2HB   ASP  27          1HB       ASP  27  -4.423  -3.616  -8.012
  173    H    ASN  28           H        ASN  28  -7.050  -0.018  -7.819
  174    HA   ASN  28           HA       ASN  28  -9.082   0.720  -6.924
  175   1HB   ASN  28          2HB       ASN  28  -9.807  -0.765  -8.998
  176   2HB   ASN  28          1HB       ASN  28 -10.390  -1.855  -7.739
  177   1HD2  ASN  28          1HD2      ASN  28 -12.574  -1.178  -8.782
  178   2HD2  ASN  28          2HD2      ASN  28 -13.316   0.221  -8.172
  179    H    LYS  29           H        LYS  29  -7.287  -0.605  -5.181
  180    HA   LYS  29           HA       LYS  29  -9.233  -1.994  -3.377
  181   1HB   LYS  29          2HB       LYS  29  -7.625  -3.614  -4.269
  182   2HB   LYS  29          1HB       LYS  29  -6.285  -2.599  -3.732
  183   1HG   LYS  29          2HG       LYS  29  -6.467  -3.292  -1.582
  184   2HG   LYS  29          1HG       LYS  29  -8.229  -3.201  -1.611
  185   1HD   LYS  29          2HD       LYS  29  -8.354  -5.339  -2.793
  186   2HD   LYS  29          1HD       LYS  29  -6.593  -5.423  -2.868
  187   1HE   LYS  29          2HE       LYS  29  -6.409  -5.643  -0.490
  188   2HE   LYS  29          1HE       LYS  29  -8.108  -5.229  -0.254
  189   1HZ   LYS  29          1HZ       LYS  29  -7.353  -7.558  -1.892
  190   2HZ   LYS  29          2HZ       LYS  29  -8.807  -7.256  -1.065
  191   3HZ   LYS  29          3HZ       LYS  29  -7.407  -7.686  -0.201
  192    H    THR  30           H        THR  30  -9.007  -1.570  -1.132
  193    HA   THR  30           HA       THR  30  -7.596   0.982  -0.543
  194    HB   THR  30           HB       THR  30  -9.539  -0.532   1.223
  195    HG1  THR  30           1HG      THR  30 -10.696  -0.017  -0.551
  196   1HG2  THR  30          1HG2      THR  30  -8.712   1.032   2.654
  197   2HG2  THR  30          2HG2      THR  30  -9.786   2.123   1.779
  198   3HG2  THR  30          3HG2      THR  30  -8.079   2.034   1.349
  199    H    TYR  31           H        TYR  31  -6.044   1.105   1.137
  200    HA   TYR  31           HA       TYR  31  -5.207  -1.499   2.317
  201   1HB   TYR  31          2HB       TYR  31  -3.618   0.593   0.864
  202   2HB   TYR  31          1HB       TYR  31  -2.848  -0.465   2.043
  203    HD1  TYR  31           1HD      TYR  31  -3.251  -0.132  -1.307
  204    HD2  TYR  31           2HD      TYR  31  -3.999  -3.036   1.764
  205    HE1  TYR  31           1HE      TYR  31  -3.204  -1.937  -3.004
  206    HE2  TYR  31           2HE      TYR  31  -3.953  -4.843   0.068
  207    HH   TYR  31           HH       TYR  31  -4.209  -4.304  -3.191
  208    H    GLY  32           H        GLY  32  -4.201  -1.340   4.384
  209   1HA   GLY  32          2HA       GLY  32  -5.256   0.714   6.085
  210   2HA   GLY  32          1HA       GLY  32  -4.031  -0.468   6.557
  211    H    ASN  33           H        ASN  33  -2.194   0.352   4.379
  212    HA   ASN  33           HA       ASN  33  -1.612   3.115   4.473
  213   1HB   ASN  33          2HB       ASN  33   0.369   2.997   6.085
  214   2HB   ASN  33          1HB       ASN  33  -1.235   2.989   6.815
  215   1HD2  ASN  33          1HD2      ASN  33  -0.982   1.645   8.627
  216   2HD2  ASN  33          2HD2      ASN  33  -0.353   0.070   8.568
  217    H    LYS  34           H        LYS  34   1.090   3.220   4.408
  218    HA   LYS  34           HA       LYS  34   1.724   2.183   1.842
  219   1HB   LYS  34          2HB       LYS  34   2.926   4.087   2.365
  220   2HB   LYS  34          1HB       LYS  34   3.219   3.579   4.025
  221   1HG   LYS  34          2HG       LYS  34   4.449   1.967   1.823
  222   2HG   LYS  34          1HG       LYS  34   5.164   3.531   2.211
  223   1HD   LYS  34          2HD       LYS  34   4.511   1.866   4.562
  224   2HD   LYS  34          1HD       LYS  34   5.769   1.204   3.519
  225   1HE   LYS  34          2HE       LYS  34   5.821   4.090   4.395
  226   2HE   LYS  34          1HE       LYS  34   6.519   2.814   5.392
  227   1HZ   LYS  34          1HZ       LYS  34   7.718   4.088   3.273
  228   2HZ   LYS  34          2HZ       LYS  34   7.316   2.549   2.680
  229   3HZ   LYS  34          3HZ       LYS  34   8.278   2.701   4.071
  230    H    CYS  35           H        CYS  35   2.453   0.861   5.092
  231    HA   CYS  35           HA       CYS  35   4.316  -1.085   4.020
  232   1HB   CYS  35          2HB       CYS  35   4.199  -0.225   6.427
  233   2HB   CYS  35          1HB       CYS  35   2.824  -1.305   6.631
  234    H    ASN  36           H        ASN  36   0.867  -1.059   4.767
  235    HA   ASN  36           HA       ASN  36   0.537  -3.900   4.179
  236   1HB   ASN  36          2HB       ASN  36  -0.969  -1.939   5.486
  237   2HB   ASN  36          1HB       ASN  36  -1.872  -2.264   4.011
  238   1HD2  ASN  36          1HD2      ASN  36  -0.457  -3.871   6.879
  239   2HD2  ASN  36          2HD2      ASN  36  -1.470  -5.231   6.816
  240    H    PHE  37           H        PHE  37   0.879  -1.035   2.392
  241    HA   PHE  37           HA       PHE  37  -0.743  -1.827   0.096
  242   1HB   PHE  37          2HB       PHE  37  -0.476   0.527   0.434
  243   2HB   PHE  37          1HB       PHE  37   1.268   0.369   0.629
  244    HD1  PHE  37           1HD      PHE  37   2.607   0.936  -1.176
  245    HD2  PHE  37           2HD      PHE  37  -1.367  -0.508  -1.900
  246    HE1  PHE  37           1HE      PHE  37   2.940   1.248  -3.612
  247    HE2  PHE  37           2HE      PHE  37  -1.041  -0.197  -4.332
  248    HZ   PHE  37           HZ       PHE  37   1.113   0.682  -5.193
  249    H    CYS  38           H        CYS  38   2.755  -1.530   0.773
  250    HA   CYS  38           HA       CYS  38   3.558  -2.701  -1.729
  251   1HB   CYS  38          2HB       CYS  38   5.027  -2.473   0.913
  252   2HB   CYS  38          1HB       CYS  38   5.777  -2.957  -0.608
  253    H    ASN  39           H        ASN  39   2.467  -4.005   1.298
  254    HA   ASN  39           HA       ASN  39   3.567  -6.667   0.876
  255   1HB   ASN  39          2HB       ASN  39   1.650  -5.407   2.793
  256   2HB   ASN  39          1HB       ASN  39   1.565  -7.157   2.586
  257   1HD2  ASN  39          1HD2      ASN  39   3.149  -8.409   3.623
  258   2HD2  ASN  39          2HD2      ASN  39   4.505  -7.767   4.416
  259    H    ALA  40           H        ALA  40   0.381  -5.166   0.434
  260    HA   ALA  40           HA       ALA  40  -0.883  -7.502  -0.652
  261   1HB   ALA  40          1HB       ALA  40  -2.661  -6.107  -1.113
  262   2HB   ALA  40          2HB       ALA  40  -1.625  -4.835  -1.763
  263   3HB   ALA  40          3HB       ALA  40  -1.794  -5.031  -0.018
  264    H    VAL  41           H        VAL  41   1.305  -5.097  -1.871
  265    HA   VAL  41           HA       VAL  41   0.999  -5.733  -4.678
  266    HB   VAL  41           HB       VAL  41   3.334  -4.484  -3.193
  267   1HG1  VAL  41          1HG1      VAL  41   3.213  -5.477  -5.798
  268   2HG1  VAL  41          2HG1      VAL  41   4.391  -4.319  -5.181
  269   3HG1  VAL  41          3HG1      VAL  41   2.929  -3.746  -5.984
  270   1HG2  VAL  41          1HG2      VAL  41   2.053  -2.634  -3.061
  271   2HG2  VAL  41          2HG2      VAL  41   0.708  -3.514  -3.787
  272   3HG2  VAL  41          3HG2      VAL  41   1.853  -2.650  -4.813
  273    H    VAL  42           H        VAL  42   2.939  -6.972  -1.998
  274    HA   VAL  42           HA       VAL  42   4.745  -8.552  -3.578
  275    HB   VAL  42           HB       VAL  42   3.689  -8.896  -0.756
  276   1HG1  VAL  42          1HG1      VAL  42   4.302 -11.090  -1.278
  277   2HG1  VAL  42          2HG1      VAL  42   5.825 -10.434  -0.680
  278   3HG1  VAL  42          3HG1      VAL  42   5.548 -10.575  -2.415
  279   1HG2  VAL  42          1HG2      VAL  42   6.521  -8.443  -1.019
  280   2HG2  VAL  42          2HG2      VAL  42   5.316  -7.424  -0.232
  281   3HG2  VAL  42          3HG2      VAL  42   5.657  -7.221  -1.950
  282    H    GLU  43           H        GLU  43   1.420  -8.918  -2.616
  283    HA   GLU  43           HA       GLU  43   1.217 -11.757  -3.164
  284   1HB   GLU  43          2HB       GLU  43  -0.987  -9.672  -3.271
  285   2HB   GLU  43          1HB       GLU  43  -1.183 -11.409  -3.046
  286   1HG   GLU  43          2HG       GLU  43   0.505  -9.822  -1.127
  287   2HG   GLU  43          1HG       GLU  43  -1.250  -9.861  -0.945
  288    H    SER  44           H        SER  44   0.709  -8.788  -5.022
  289    HA   SER  44           HA       SER  44  -0.147 -10.245  -7.412
  290   1HB   SER  44          2HB       SER  44  -0.467  -8.145  -8.379
  291   2HB   SER  44          1HB       SER  44  -0.688  -7.773  -6.672
  292    HG   SER  44           HG       SER  44   1.006  -6.665  -8.280
  293    H    ASN  45           H        ASN  45   2.737 -10.169  -5.933
  294    HA   ASN  45           HA       ASN  45   4.833 -10.899  -6.739
  295   1HB   ASN  45          2HB       ASN  45   3.183 -11.396  -8.917
  296   2HB   ASN  45          1HB       ASN  45   4.409 -10.312  -9.575
  297   1HD2  ASN  45          1HD2      ASN  45   4.348 -13.122  -7.292
  298   2HD2  ASN  45          2HD2      ASN  45   5.711 -13.878  -7.966
  299    H    GLY  46           H        GLY  46   3.367  -7.927  -7.086
  300   1HA   GLY  46          2HA       GLY  46   4.804  -5.955  -6.627
  301   2HA   GLY  46          1HA       GLY  46   5.995  -6.652  -7.725
  302    H    THR  47           H        THR  47   2.886  -7.183  -8.906
  303    HA   THR  47           HA       THR  47   3.278  -5.057 -10.934
  304    HB   THR  47           HB       THR  47   1.366  -6.249 -12.086
  305    HG1  THR  47           1HG      THR  47   1.056  -8.420 -11.152
  306   1HG2  THR  47          1HG2      THR  47   3.615  -6.793 -12.746
  307   2HG2  THR  47          2HG2      THR  47   2.745  -8.317 -12.567
  308   3HG2  THR  47          3HG2      THR  47   3.856  -7.784 -11.306
  309    H    LEU  48           H        LEU  48   2.367  -4.471  -8.159
  310    HA   LEU  48           HA       LEU  48  -0.344  -3.348  -8.777
  311   1HB   LEU  48          2HB       LEU  48   0.129  -5.019  -6.765
  312   2HB   LEU  48          1HB       LEU  48   0.707  -3.550  -5.980
  313    HG   LEU  48           HG       LEU  48  -1.518  -2.489  -6.769
  314   1HD1  LEU  48          1HD1      LEU  48  -3.292  -4.447  -6.781
  315   2HD1  LEU  48          2HD1      LEU  48  -1.922  -5.408  -7.339
  316   3HD1  LEU  48          3HD1      LEU  48  -2.453  -4.007  -8.269
  317   1HD2  LEU  48          1HD2      LEU  48  -1.015  -4.423  -4.560
  318   2HD2  LEU  48          2HD2      LEU  48  -2.698  -3.978  -4.843
  319   3HD2  LEU  48          3HD2      LEU  48  -1.503  -2.729  -4.483
  320    H    THR  49           H        THR  49  -0.690  -1.144  -8.278
  321    HA   THR  49           HA       THR  49   1.721   0.393  -7.432
  322    HB   THR  49           HB       THR  49   1.462   1.970  -9.202
  323    HG1  THR  49           1HG      THR  49  -0.313   2.068 -10.443
  324   1HG2  THR  49          1HG2      THR  49   2.595  -0.095  -9.875
  325   2HG2  THR  49          2HG2      THR  49   1.655   0.544 -11.224
  326   3HG2  THR  49          3HG2      THR  49   1.046  -0.827 -10.295
  327    H    LEU  50           H        LEU  50   0.310   2.881  -7.945
  328    HA   LEU  50           HA       LEU  50  -1.708   2.752  -5.747
  329   1HB   LEU  50          2HB       LEU  50   0.078   3.939  -4.801
  330   2HB   LEU  50          1HB       LEU  50   0.521   4.693  -6.328
  331    HG   LEU  50           HG       LEU  50  -1.812   5.877  -6.127
  332   1HD1  LEU  50          1HD1      LEU  50  -2.684   6.116  -3.924
  333   2HD1  LEU  50          2HD1      LEU  50  -1.260   5.367  -3.200
  334   3HD1  LEU  50          3HD1      LEU  50  -2.402   4.386  -4.123
  335   1HD2  LEU  50          1HD2      LEU  50   0.402   6.982  -5.979
  336   2HD2  LEU  50          2HD2      LEU  50   0.478   6.575  -4.265
  337   3HD2  LEU  50          3HD2      LEU  50  -0.754   7.691  -4.852
  338    H    SER  51           H        SER  51  -3.466   4.259  -5.952
  339    HA   SER  51           HA       SER  51  -3.899   5.254  -8.737
  340   1HB   SER  51          2HB       SER  51  -5.865   4.136  -8.815
  341   2HB   SER  51          1HB       SER  51  -5.399   3.330  -7.323
  342    HG   SER  51           HG       SER  51  -6.770   5.810  -7.563
  343    H    HIS  52           H        HIS  52  -4.350   5.755  -5.279
  344    HA   HIS  52           HA       HIS  52  -3.990   8.540  -5.396
  345   1HB   HIS  52          2HB       HIS  52  -6.094   9.520  -5.483
  346   2HB   HIS  52          1HB       HIS  52  -6.326   8.175  -6.590
  347    HD1  HIS  52           1HD      HIS  52  -7.512   5.994  -5.516
  348    HD2  HIS  52           2HD      HIS  52  -7.780   9.496  -3.273
  349    HE1  HIS  52           1HE      HIS  52  -9.356   5.622  -3.820
  350    H    PHE  53           H        PHE  53  -3.007   8.573  -3.452
  351    HA   PHE  53           HA       PHE  53  -3.273   6.911  -1.279
  352   1HB   PHE  53          2HB       PHE  53  -2.802   9.903  -1.297
  353   2HB   PHE  53          1HB       PHE  53  -2.588   8.890   0.124
  354    HD1  PHE  53           1HD      PHE  53  -1.331   9.643  -3.264
  355    HD2  PHE  53           2HD      PHE  53  -0.745   7.325   0.305
  356    HE1  PHE  53           1HE      PHE  53   0.937   9.013  -4.044
  357    HE2  PHE  53           2HE      PHE  53   1.522   6.696  -0.477
  358    HZ   PHE  53           HZ       PHE  53   2.362   7.540  -2.651
  359    H    GLY  54           H        GLY  54  -5.396   6.245  -0.858
  360   1HA   GLY  54          2HA       GLY  54  -6.929   7.486   1.075
  361   2HA   GLY  54          1HA       GLY  54  -7.553   8.151  -0.436
  362    H    LYS  55           H        LYS  55  -9.370   6.714   0.907
  363    HA   LYS  55           HA       LYS  55  -9.247   3.877   0.196
  364   1HB   LYS  55          2HB       LYS  55 -11.531   3.790   1.140
  365   2HB   LYS  55          1HB       LYS  55 -10.425   4.616   2.239
  366   1HG   LYS  55          2HG       LYS  55 -11.234   6.780   1.543
  367   2HG   LYS  55          1HG       LYS  55 -12.183   6.063   0.241
  368   1HD   LYS  55          2HD       LYS  55 -13.904   5.628   1.630
  369   2HD   LYS  55          1HD       LYS  55 -12.836   4.847   2.796
  370   1HE   LYS  55          2HE       LYS  55 -12.798   6.674   4.120
  371   2HE   LYS  55          1HE       LYS  55 -12.461   7.740   2.755
  372   1HZ   LYS  55          1HZ       LYS  55 -14.812   7.577   4.130
  373   2HZ   LYS  55          2HZ       LYS  55 -15.127   6.718   2.699
  374   3HZ   LYS  55          3HZ       LYS  55 -14.586   8.326   2.627
  375    H    CYS  56           H        CYS  56 -10.713   2.850  -1.308
  376    HA   CYS  56           HA       CYS  56 -11.299   4.575  -3.634
  377   1HB   CYS  56          2HB       CYS  56 -11.828   1.617  -3.545
  378   2HB   CYS  56          1HB       CYS  56 -11.334   2.615  -4.913