*HEADER   NEUROTOXIN                              17-JUN-96   1LQH    
*TITLE    INSECTICIDAL ALPHA SCORPION TOXIN ISOLATED FROM THE VENOM   
*TITLE   2 OF SCORPION LEIURUS QUINQUESTRIATUS HEBRAEUS, NMR,         
*TITLE   3 MINIMIZED AVERAGE STRUCTURE                                
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: INSECT TOXIN ALPHA;                              
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: NEUROTOXIN, INSECTOTOXIN, SCORPION TOXIN, LQHAIT; 
*COMPND  5 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: LEIURUS QUINQUESTRIATUS HEBRAEUS;     
*SOURCE  3 ORGANISM_COMMON: SCORPION;                                 
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  5 EXPRESSION_SYSTEM_PLASMID: T7                              
*KEYWDS   NEUROTOXIN, SODIUM CHANNEL INHIBITOR, SIGNAL                
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   V.TUGARINOV,I.KUSTANOVICH,N.ZILBERBERG,M.GUREVITZ,          
*AUTHOR  2 J.ANGLISTER                                                
*REVDAT  1   12-MAR-97 1LQH    0                                      


!! constraints for simulated annealing in XPLOR for LqhaIT scorpion toxin
!! depositor - V.Tugarinov (The Weizmann Institute of Science, Rehovot, Israel)
!! MET 1
assign (resid    1 and  name HA  )(resid    1 and  name HB# ) 3.0 1.2 0.3 
assign (resid    1 and  name HA  )(resid    2 and  name HG* ) 4.0 2.2 1.0 
!! VAL 2
assign (resid    2 and  name HN  )(resid    2 and  name HA  ) 3.0 1.2 0.3
assign (resid    2 and  name HN  )(resid    2 and  name HB  ) 4.0 2.2 1.0
assign (resid    2 and  name HN  )(resid    2 and  name HG* ) 3.0 1.2 0.3
assign (resid    2 and  name HA  )(resid    2 and  name HG* ) 3.0 1.2 0.3
assign (resid    2 and  name HA  )(resid    2 and  name HB  ) 2.5 0.7 0.2
assign (resid    2 and  name HN  )(resid    1 and  name HA  ) 2.5 0.7 0.2
assign (resid    2 and  name HN  )(resid    1 and  name HB# ) 3.0 1.2 0.3
assign (resid    2 and  name HN  )(resid    1 and  name HG# ) 4.0 2.2 1.0
assign (resid    2 and  name HA  )(resid   51 and  name HA  ) 4.0 2.2 1.0
assign (resid    2 and  name HA  )(resid   53 and  name HA  ) 3.0 1.2 0.3
assign (resid    2 and  name HA  )(resid    3 and  name HD# ) 4.0 2.2 1.0
!! ARG 3 
assign (resid    3 and  name HN  )(resid    3 and  name HA  ) 3.0 1.2 0.3
assign (resid    3 and  name HN  )(resid    3 and  name HG# ) 4.0 2.2 1.0
assign (resid    3 and  name HN  )(resid    3 and  name HD1 ) 3.0 1.2 1.0
assign (resid    3 and  name HN  )(resid    3 and  name HD2 ) 3.0 1.2 1.0
assign (resid    3 and  name HA  )(resid    3 and  name HG# ) 4.0 2.2 1.0
assign (resid    3 and  name HB# )(resid    3 and  name HE  ) 4.0 2.2 1.0
assign (resid    3 and  name HG1 )(resid    3 and  name HE  ) 4.0 2.2 1.0   
assign (resid    3 and  name HG2 )(resid    3 and  name HE  ) 4.0 2.2 1.0   
assign (resid    3 and  name HD# )(resid    3 and  name HE  ) 3.0 1.2 0.3
assign (resid    3 and  name HD# )(resid    3 and  name HB1 ) 4.0 2.2 1.0   
assign (resid    3 and  name HD# )(resid    3 and  name HB2 ) 4.0 2.2 1.0
assign (resid    3 and  name HN  )(resid    2 and  name HA  ) 2.5 0.7 0.2
assign (resid    3 and  name HN  )(resid    2 and  name HG* ) 4.0 2.2 1.0
assign (resid    3 and  name HN  )(resid   51 and  name HA  ) 3.0 1.2 0.3
assign (resid    3 and  name HA  )(resid   51 and  name HA  ) 4.0 2.2 1.0
assign (resid    3 and  name HE  )(resid   54 and  name HA  ) 3.0 1.2 1.0
assign (resid    3 and  name HN  )(resid   52 and  name HB# ) 4.0 2.2 1.0
assign (resid    3 and  name HN  )(resid   52 and  name HN  ) 3.0 1.2 1.0
assign (resid    3 and  name HE  )(resid   58 and  name HG2#) 4.0 2.2 1.0
!! ASP 4
assign (resid    4 and  name HN  )(resid    4 and  name HB1 ) 4.0 2.2 1.0
assign (resid    4 and  name HN  )(resid    4 and  name HB2 ) 3.0 1.2 0.3 
assign (resid    4 and  name HN  )(resid    4 and  name HA  ) 3.0 1.2 0.3 
assign (resid    4 and  name HA  )(resid    4 and  name HB1 ) 2.5 0.7 0.2
assign (resid    4 and  name HA  )(resid    4 and  name HB2 ) 3.0 1.2 0.3   
assign (resid    4 and  name HN  )(resid    3 and  name HA  ) 2.5 0.7 0.2 
assign (resid    4 and  name HN  )(resid    3 and  name HB# ) 3.0 1.2 0.3
assign (resid    4 and  name HN  )(resid    3 and  name HG1 ) 4.0 2.2 1.0
assign (resid    4 and  name HN  )(resid    3 and  name HG2 ) 4.0 2.2 1.0
assign (resid    4 and  name HA  )(resid    5 and  name HB# ) 4.0 2.2 1.0
!! ALA 5
assign (resid    5 and  name HN  )(resid    5 and  name HA  ) 3.0 1.2 0.3
assign (resid    5 and  name HN  )(resid    5 and  name HB# ) 3.0 1.2 0.3
assign (resid    5 and  name HA  )(resid    5 and  name HB# ) 2.5 0.7 0.2
assign (resid    5 and  name HN  )(resid    4 and  name HA  ) 2.5 0.7 0.2   
assign (resid    5 and  name HN  )(resid    4 and  name HB1 ) 3.0 1.2 1.0
assign (resid    5 and  name HN  )(resid    4 and  name HB2 ) 4.0 2.2 1.0
assign (resid    5 and  name HN  )(resid   50 and  name HA  ) 4.0 2.2 1.0
assign (resid    5 and  name HA  )(resid   58 and  name HG2#) 4.0 2.2 1.0
assign (resid    5 and  name HA  )(resid   58 and  name HD1#) 4.0 2.2 1.0
assign (resid    5 and  name HA  )(resid   58 and  name HB  ) 4.0 2.2 1.0
!! TYR 6
assign (resid    6 and  name HN  )(resid    6 and  name HA  ) 3.0 1.2 0.3
assign (resid    6 and  name HN  )(resid    6 and  name HB# ) 3.0 1.2 0.3
assign (resid    6 and  name HA  )(resid    6 and  name HB# ) 3.0 1.2 0.3
assign (resid    6 and  name HA  )(resid    6 and  name HD# ) 3.0 1.2 0.3
assign (resid    6 and  name HA  )(resid    6 and  name HE# ) 4.0 2.2 1.0
assign (resid    6 and  name HB# )(resid    6 and  name HD# ) 2.5 0.7 0.2
assign (resid    6 and  name HB# )(resid    6 and  name HE# ) 4.0 2.2 1.0
assign (resid    6 and  name HN  )(resid    5 and  name HA  ) 2.5 0.7 0.2
assign (resid    6 and  name HN  )(resid    5 and  name HB# ) 3.0 1.2 0.3
assign (resid    6 and  name HD# )(resid    5 and  name HA  ) 4.0 2.2 1.0
assign (resid    6 and  name HN  )(resid   48 and  name HZ3 ) 4.0 2.2 1.0
assign (resid    6 and  name HN  )(resid   58 and  name HG2#) 4.0 2.2 1.0
assign (resid    6 and  name HN  )(resid   58 and  name HD1#) 4.0 2.2 1.0
assign (resid    6 and  name HB# )(resid   14 and  name HG1#) 3.0 1.2 0.3
assign (resid    6 and  name HD# )(resid   48 and  name HZ3 ) 3.0 1.2 0.3
assign (resid    6 and  name HD# )(resid   48 and  name HB# ) 4.0 2.2 1.0
assign (resid    6 and  name HD# )(resid   46 and  name HB# ) 3.0 1.2 0.3
assign (resid    6 and  name HD# )(resid   14 and  name HG1#) 4.0 2.2 1.0
assign (resid    6 and  name HD# )(resid   48 and  name HA  ) 4.0 2.2 1.0
assign (resid    6 and  name HD# )(resid   48 and  name HE3 ) 4.0 2.2 1.0
assign (resid    6 and  name HE# )(resid   48 and  name HZ3 ) 3.0 1.2 0.3
assign (resid    6 and  name HE# )(resid   46 and  name HN  ) 4.0 2.2 1.0
assign (resid    6 and  name HE# )(resid   48 and  name HE3 ) 4.0 2.2 1.0
assign (resid    6 and  name HE# )(resid   46 and  name HB# ) 3.0 1.2 0.3
assign (resid    6 and  name HE# )(resid   14 and  name HG1#) 4.0 2.2 1.0
assign (resid    6 and  name HE# )(resid   14 and  name HG2#) 4.0 2.2 1.0
assign (resid    6 and  name HE# )(resid   48 and  name HB# ) 4.0 2.2 1.0
assign (resid    6 and  name HE# )(resid   38 and  name HG1 ) 4.0 2.2 1.0
assign (resid    6 and  name HE# )(resid   38 and  name HG2 ) 4.0 2.2 1.0
assign (resid    6 and  name HN  )(resid   58 and  name HB  ) 4.0 2.2 1.0
assign (resid    6 and  name HD# )(resid   59 and  name HB# ) 4.0 2.2 1.0
assign (resid    6 and  name HD# )(resid   59 and  name HG# ) 4.0 2.2 1.0
assign (resid    6 and  name HB# )(resid   59 and  name HB1 ) 4.0 2.2 1.0
assign (resid    6 and  name HB# )(resid   59 and  name HB2 ) 4.0 2.2 1.0
assign (resid    6 and  name HE# )(resid   38 and  name HB1 ) 3.0 1.2 0.3
assign (resid    6 and  name HE# )(resid   38 and  name HB2 ) 3.0 1.2 0.3
!! ILE 7 
assign (resid    7 and  name HN  )(resid    7 and  name HA  ) 3.0 1.2 0.3
assign (resid    7 and  name HN  )(resid    7 and  name HB  ) 3.0 1.2 0.3
assign (resid    7 and  name HN  )(resid    7 and  name HD1#) 4.0 2.2 1.0
assign (resid    7 and  name HN  )(resid    7 and  name HG2#) 3.0 1.2 0.3
assign (resid    7 and  name HA  )(resid    7 and  name HB  ) 2.5 0.7 0.2
assign (resid    7 and  name HA  )(resid    7 and  name HG12) 3.0 1.2 0.3
assign (resid    7 and  name HA  )(resid    7 and  name HG11) 3.0 1.2 0.3
assign (resid    7 and  name HA  )(resid    7 and  name HG2#) 4.0 2.2 1.0
assign (resid    7 and  name HA  )(resid    7 and  name HD1#) 4.0 2.2 1.0
assign (resid    7 and  name HN  )(resid    6 and  name HA  ) 2.5 0.7 0.2 
assign (resid    7 and  name HN  )(resid    6 and  name HB1 ) 4.0 1.2 1.0
assign (resid    7 and  name HN  )(resid    6 and  name HB2 ) 4.0 1.2 1.0
assign (resid    7 and  name HN  )(resid    6 and  name HD# ) 4.0 2.2 1.0
assign (resid    7 and  name HN  )(resid   48 and  name HA  ) 3.0 1.2 0.3 
assign (resid    7 and  name HB  )(resid   52 and  name HD2#) 3.0 1.2 0.3
assign (resid    7 and  name HG1#)(resid   52 and  name HD2#) 4.0 2.2 1.0
assign (resid    7 and  name HA  )(resid   58 and  name HG2#) 3.0 1.2 0.3
assign (resid    7 and  name HG2#)(resid   26 and  name HD2#) 3.0 1.2 0.3
assign (resid    7 and  name HD1#)(resid   26 and  name HD1#) 4.0 2.2 1.0 
assign (resid    7 and  name HD1#)(resid   26 and  name HD2#) 4.0 2.2 1.0
assign (resid    7 and  name HA  )(resid    5 and  name HB# ) 4.0 2.2 1.0
assign (resid    7 and  name HG1#)(resid   56 and  name HG* ) 3.0 1.2 0.3
assign (resid    7 and  name HN  )(resid   26 and  name HD2#) 4.0 2.2 1.0 
!! ALA 8 
assign (resid    8 and  name HN  )(resid    8 and  name HA  ) 3.0 1.2 0.3
assign (resid    8 and  name HN  )(resid    8 and  name HB# ) 3.0 1.2 0.3
assign (resid    8 and  name HA  )(resid    8 and  name HB# ) 2.5 0.7 0.2
assign (resid    8 and  name HN  )(resid    7 and  name HA  ) 2.5 0.7 0.2
assign (resid    8 and  name HN  )(resid    7 and  name HG11) 3.0 1.2 0.3
assign (resid    8 and  name HN  )(resid    7 and  name HG12) 3.0 1.2 0.3
assign (resid    8 and  name HN  )(resid    7 and  name HG2#) 4.0 2.2 1.0
assign (resid    8 and  name HN  )(resid    7 and  name HB  ) 4.0 2.2 1.0
assign (resid    8 and  name HN  )(resid   58 and  name HA  ) 2.5 0.7 0.2 
assign (resid    8 and  name HN  )(resid   59 and  name HN  ) 4.0 2.2 1.0
assign (resid    8 and  name HN  )(resid   58 and  name HG2#) 4.0 2.2 1.0
!! LYS 9
assign (resid    9 and  name HN  )(resid    9 and  name HA  ) 3.0 1.2 0.3
assign (resid    9 and  name HN  )(resid    9 and  name HB# ) 4.0 2.2 1.0
assign (resid    9 and  name HN  )(resid    9 and  name HG# ) 4.0 2.2 1.0
assign (resid    9 and  name HN  )(resid    9 and  name HD# ) 4.0 2.2 1.0
assign (resid    9 and  name HA  )(resid    9 and  name HG# ) 4.0 2.2 1.0
assign (resid    9 and  name HA  )(resid    9 and  name HD# ) 4.0 2.2 1.0
assign (resid    9 and  name HN  )(resid    8 and  name HA  ) 2.5 0.7 0.2
assign (resid    9 and  name HN  )(resid    8 and  name HB# ) 3.0 1.2 0.3
!! ASN 10
assign (resid   10 and  name HN  )(resid   10 and  name HB# ) 2.5 0.7 0.2
assign (resid   10 and  name HN  )(resid   10 and  name HD21) 4.0 2.2 1.0
assign (resid   10 and  name HN  )(resid   10 and  name HD22) 4.0 2.2 1.0
assign (resid   10 and  name HB1 )(resid   10 and  name HD21) 4.0 2.2 1.0
assign (resid   10 and  name HB1 )(resid   10 and  name HD22) 4.0 2.2 1.0
assign (resid   10 and  name HB2 )(resid   10 and  name HD21) 4.0 2.2 1.0
assign (resid   10 and  name HB2 )(resid   10 and  name HD22) 4.0 2.2 1.0
assign (resid   10 and  name HN  )(resid    9 and  name HA  ) 2.5 0.7 0.2
assign (resid   10 and  name HN  )(resid    9 and  name HN  ) 4.0 2.2 1.0
assign (resid   10 and  name HN  )(resid    9 and  name HG# ) 2.5 0.7 0.2
assign (resid   10 and  name HN  )(resid    9 and  name HD# ) 2.5 0.7 0.2
!! TYR 11
assign (resid   11 and  name HN  )(resid   11 and  name HA  ) 3.0 1.2 0.3
assign (resid   11 and  name HN  )(resid   11 and  name HB# ) 3.0 1.2 0.3
assign (resid   11 and  name HN  )(resid   11 and  name HD# ) 3.0 1.2 0.3
assign (resid   11 and  name HA  )(resid   11 and  name HB# ) 3.0 1.2 0.3
assign (resid   11 and  name HA  )(resid   11 and  name HD# ) 3.0 1.2 0.3
assign (resid   11 and  name HA  )(resid   11 and  name HE# ) 4.0 2.2 1.0
assign (resid   11 and  name HB# )(resid   11 and  name HD# ) 2.5 0.7 0.2
assign (resid   11 and  name HB# )(resid   11 and  name HE# ) 4.0 2.2 1.0
assign (resid   11 and  name HD# )(resid   10 and  name HB1 ) 4.0 2.2 1.0
assign (resid   11 and  name HE# )(resid   10 and  name HB1 ) 4.0 2.2 1.0
assign (resid   11 and  name HD# )(resid   10 and  name HB2 ) 3.0 1.2 0.3
assign (resid   11 and  name HE# )(resid   10 and  name HB2 ) 3.0 1.2 0.3
assign (resid   11 and  name HB# )(resid   65 and  name HB# ) 3.0 1.2 0.3
assign (resid   11 and  name HD# )(resid   65 and  name HB# ) 3.0 1.2 0.3
assign (resid   11 and  name HD# )(resid   65 and  name HG# ) 3.0 1.2 0.3
!! ASN 12 
assign (resid   12 and  name HN  )(resid   12 and  name HA  ) 2.5 0.7 0.2
assign (resid   12 and  name HN  )(resid   12 and  name HB1 ) 4.0 2.2 1.0
assign (resid   12 and  name HN  )(resid   12 and  name HB2 ) 4.0 2.2 1.0
assign (resid   12 and  name HA  )(resid   12 and  name HB1 ) 3.0 1.2 0.3
assign (resid   12 and  name HA  )(resid   12 and  name HB2 ) 3.0 1.2 0.3
assign (resid   12 and  name HA  )(resid   12 and  name HD2#) 3.0 1.2 0.3
assign (resid   12 and  name HB1 )(resid   12 and  name HD2#) 3.0 1.2 0.3
assign (resid   12 and  name HB2 )(resid   12 and  name HD2#) 3.0 1.2 0.3
assign (resid   12 and  name HN  )(resid   11 and  name HA  ) 3.0 1.2 0.3
assign (resid   12 and  name HN  )(resid   11 and  name HB# ) 4.0 2.2 1.0
assign (resid   12 and  name HN  )(resid   11 and  name HN  ) 4.0 2.2 1.0
assign (resid   12 and  name HN  )(resid   11 and  name HD# ) 4.0 2.2 1.0
assign (resid   12 and  name HN  )(resid   10 and  name HN  ) 4.0 2.2 1.0
assign (resid   12 and  name HN  )(resid    8 and  name HB# ) 4.0 2.2 1.0
assign (resid   12 and  name HA  )(resid    8 and  name HB# ) 3.0 1.2 0.3
assign (resid   12 and  name HD2#)(resid   59 and  name HD# ) 4.0 2.2 1.0
assign (resid   12 and  name HD2#)(resid   59 and  name HE  ) 4.0 2.2 1.0
assign (resid   12 and  name HD2#)(resid   60 and  name HG2#) 3.0 1.2 0.3
assign (resid   12 and  name HD2#)(resid   64 and  name HA  ) 4.0 2.2 1.0
assign (resid   12 and  name HN  )(resid   64 and  name HA  ) 4.0 2.2 1.0
!! CYS 13
assign (resid   13 and  name HN  )(resid   13 and  name HA  ) 3.0 1.2 0.3
assign (resid   13 and  name HN  )(resid   13 and  name HB2 ) 2.5 0.7 0.2
assign (resid   13 and  name HN  )(resid   13 and  name HB1 ) 4.0 2.2 1.0
assign (resid   13 and  name HA  )(resid   13 and  name HB1 ) 3.0 1.2 0.3
assign (resid   13 and  name HA  )(resid   13 and  name HB2 ) 4.0 2.2 1.0
assign (resid   13 and  name HN  )(resid   12 and  name HA  ) 4.0 2.2 1.0
assign (resid   13 and  name HN  )(resid   12 and  name HN  ) 3.0 1.2 0.3
assign (resid   13 and  name HN  )(resid    9 and  name HN  ) 3.0 1.2 0.3
assign (resid   13 and  name HA  )(resid   64 and  name HB1 ) 3.0 1.2 0.3
assign (resid   13 and  name HA  )(resid   64 and  name HB2 ) 3.0 1.2 0.3
assign (resid   13 and  name HA  )(resid   59 and  name HD# ) 4.0 2.2 1.0
assign (resid   13 and  name HN  )(resid   11 and  name HA  ) 4.0 2.2 1.0
assign (resid   13 and  name HB1 )(resid    9 and  name HG# ) 4.0 2.2 1.0
assign (resid   13 and  name HB2 )(resid    9 and  name HG# ) 4.0 2.2 1.0
!! VAL 14
assign (resid   14 and  name HN  )(resid   14 and  name HA  ) 4.0 2.2 1.0
assign (resid   14 and  name HN  )(resid   14 and  name HB  ) 4.0 2.2 1.0
assign (resid   14 and  name HN  )(resid   14 and  name HG1#) 3.0 1.2 0.3
assign (resid   14 and  name HN  )(resid   14 and  name HG2#) 3.0 1.2 0.3
assign (resid   14 and  name HA  )(resid   14 and  name HB  ) 2.5 0.7 0.2
assign (resid   14 and  name HA  )(resid   14 and  name HG1#) 3.0 1.2 0.3
assign (resid   14 and  name HA  )(resid   14 and  name HG2#) 4.0 2.2 1.0
assign (resid   14 and  name HN  )(resid   13 and  name HA  ) 3.0 1.2 0.3
assign (resid   14 and  name HN  )(resid   13 and  name HB1 ) 3.0 1.2 0.3
assign (resid   14 and  name HN  )(resid   13 and  name HB2 ) 4.0 2.2 1.0
assign (resid   14 and  name HA  )(resid    8 and  name HA  ) 2.5 0.7 0.2
assign (resid   14 and  name HN  )(resid   59 and  name HE  ) 4.0 2.2 1.0
assign (resid   14 and  name HB  )(resid   46 and  name HB# ) 3.0 1.2 0.3
!! TYR 15
assign (resid   15 and  name HN  )(resid   15 and  name HB1 ) 4.0 2.2 1.0
assign (resid   15 and  name HN  )(resid   15 and  name HB2 ) 4.0 2.2 1.0
assign (resid   15 and  name HA  )(resid   15 and  name HD# ) 3.0 1.2 0.3
assign (resid   15 and  name HN  )(resid   15 and  name HD# ) 4.0 2.2 1.0
assign (resid   15 and  name HB1 )(resid   15 and  name HD# ) 2.5 0.7 0.2
assign (resid   15 and  name HB2 )(resid   15 and  name HD# ) 2.5 0.7 0.2
assign (resid   15 and  name HB1 )(resid   15 and  name HE# ) 4.0 2.2 1.0
assign (resid   15 and  name HB2 )(resid   15 and  name HE# ) 4.0 2.2 1.0
assign (resid   15 and  name HN  )(resid   14 and  name HB  ) 3.0 1.2 0.3
assign (resid   15 and  name HN  )(resid   14 and  name HG1#) 4.0 2.2 1.0
assign (resid   15 and  name HN  )(resid   14 and  name HG2#) 4.0 2.2 1.0
assign (resid   15 and  name HD# )(resid   14 and  name HA  ) 4.0 2.2 1.0
assign (resid   15 and  name HB1 )(resid   26 and  name HD2#) 3.0 1.2 0.3
assign (resid   15 and  name HB2 )(resid   26 and  name HD2#) 3.0 1.2 0.3
assign (resid   15 and  name HB1 )(resid    7 and  name HG2#) 3.0 1.2 0.3
assign (resid   15 and  name HB2 )(resid    7 and  name HG2#) 3.0 1.2 0.3
assign (resid   15 and  name HD# )(resid    8 and  name HA  ) 4.0 2.2 1.0
assign (resid   15 and  name HD# )(resid   26 and  name HD1#) 3.0 1.2 0.3
assign (resid   15 and  name HD# )(resid   26 and  name HD2#) 3.0 1.2 0.3
assign (resid   15 and  name HD# )(resid    7 and  name HG1#) 4.0 2.2 1.0
assign (resid   15 and  name HD# )(resid    7 and  name HG2#) 2.5 0.7 0.2
assign (resid   15 and  name HD# )(resid    9 and  name HN  ) 4.0 2.2 1.0
assign (resid   15 and  name HE# )(resid    8 and  name HA  ) 4.0 2.2 1.0
assign (resid   15 and  name HE# )(resid    9 and  name HA  ) 3.0 1.2 0.3
assign (resid   15 and  name HE# )(resid   26 and  name HD1#) 3.0 1.2 0.3
assign (resid   15 and  name HE# )(resid   26 and  name HD2#) 3.0 1.2 0.3
assign (resid   15 and  name HE# )(resid    7 and  name HB  ) 4.0 2.2 1.0
assign (resid   15 and  name HE# )(resid    7 and  name HG11) 4.0 2.2 1.0
assign (resid   15 and  name HE# )(resid    7 and  name HG12) 4.0 2.2 1.0
assign (resid   15 and  name HE# )(resid    7 and  name HG2#) 3.0 1.2 0.3
assign (resid   15 and  name HE# )(resid    7 and  name HD1#) 4.0 2.2 1.0
assign (resid   15 and  name HE# )(resid    7 and  name HA  ) 4.0 2.2 1.0
assign (resid   15 and  name HE# )(resid    8 and  name HN  ) 4.0 2.2 1.0
assign (resid   15 and  name HE# )(resid    9 and  name HN  ) 4.0 2.2 1.0
assign (resid   15 and  name HE# )(resid    9 and  name HB# ) 4.0 2.2 1.0
assign (resid   15 and  name HE# )(resid    9 and  name HG# ) 4.0 2.2 1.0
assign (resid   15 and  name HE# )(resid    9 and  name HE# ) 4.0 2.2 1.0
assign (resid   15 and  name HE# )(resid    9 and  name HD# ) 3.0 1.2 0.3
assign (resid   15 and  name HD# )(resid    9 and  name HB# ) 4.0 2.2 1.0
assign (resid   15 and  name HD# )(resid    9 and  name HG# ) 4.0 2.2 1.0
assign (resid   15 and  name HD# )(resid    7 and  name HD1#) 4.0 2.2 1.0
assign (resid   15 and  name HD# )(resid   26 and  name HG  ) 4.0 2.2 1.0
assign (resid   15 and  name HD# )(resid   22 and  name HE# ) 4.0 2.2 1.0
!! GLU 16
assign (resid   16 and  name HN  )(resid   16 and  name HB# ) 2.5 0.7 0.2
assign (resid   16 and  name HN  )(resid   16 and  name HG# ) 4.0 2.2 1.0
assign (resid   16 and  name HA  )(resid   16 and  name HB# ) 3.0 1.2 0.3
assign (resid   16 and  name HA  )(resid   16 and  name HG# ) 4.0 2.2 1.0
assign (resid   16 and  name HN  )(resid   15 and  name HA  ) 2.5 0.7 0.2
assign (resid   16 and  name HN  )(resid   15 and  name HD# ) 4.0 2.2 1.0
assign (resid   16 and  name HN  )(resid   14 and  name HG2#) 4.0 2.2 1.0
assign (resid   16 and  name HN  )(resid   14 and  name HB  ) 4.0 2.2 1.0
assign (resid   16 and  name HA  )(resid   14 and  name HG2#) 4.0 2.2 1.0
assign (resid   16 and  name HA  )(resid   46 and  name HB# ) 4.0 2.2 1.0
!! CYS 17
assign (resid   17 and  name HA  )(resid   17 and  name HB# ) 2.5 0.7 0.2
assign (resid   17 and  name HN  )(resid   16 and  name HB# ) 3.0 1.2 0.3
assign (resid   17 and  name HN  )(resid   46 and  name HA  ) 3.0 1.2 1.0
assign (resid   17 and  name HN  )(resid   45 and  name HB1 ) 4.0 2.2 1.0
assign (resid   17 and  name HN  )(resid   45 and  name HB2 ) 4.0 2.2 1.0
!! PHE 18
assign (resid   18 and  name HN  )(resid   18 and  name HB1 ) 3.0 1.2 0.3
assign (resid   18 and  name HN  )(resid   18 and  name HB2 ) 3.0 1.2 0.3
assign (resid   18 and  name HN  )(resid   18 and  name HD# ) 4.0 2.2 1.0
assign (resid   18 and  name HA  )(resid   18 and  name HD# ) 4.0 2.2 1.0 
assign (resid   18 and  name HB1 )(resid   18 and  name HD# ) 2.5 0.7 0.2
assign (resid   18 and  name HB2 )(resid   18 and  name HD# ) 2.5 0.7 0.2
assign (resid   18 and  name HB# )(resid   18 and  name HE# ) 4.0 2.2 1.0
assign (resid   18 and  name HN  )(resid   17 and  name HA  ) 3.0 1.2 0.3
assign (resid   18 and  name HN  )(resid   17 and  name HB# ) 3.0 1.2 0.3
assign (resid   18 and  name HD# )(resid   19 and  name HG# ) 4.0 2.2 1.0
!! ARG 19 
assign (resid   19 and  name HN  )(resid   19 and  name HA  ) 3.0 1.2 0.3
assign (resid   19 and  name HN  )(resid   19 and  name HB# ) 4.0 2.2 1.0
assign (resid   19 and  name HN  )(resid   19 and  name HG# ) 4.0 2.2 1.0
assign (resid   19 and  name HA  )(resid   19 and  name HB# ) 2.5 0.7 0.2
assign (resid   19 and  name HA  )(resid   19 and  name HG# ) 3.0 1.2 0.3
assign (resid   19 and  name HA  )(resid   19 and  name HD# ) 4.0 2.2 1.0 
assign (resid   19 and  name HB1 )(resid   19 and  name HD# ) 3.0 1.2 0.3
assign (resid   19 and  name HB2 )(resid   19 and  name HD# ) 3.0 1.2 0.3
assign (resid   19 and  name HG# )(resid   19 and  name HD# ) 2.5 0.7 0.2
assign (resid   19 and  name HN  )(resid   18 and  name HN  ) 3.0 1.2 0.3
!! ASP 20 
assign (resid   20 and  name HN  )(resid   20 and  name HA  ) 3.0 1.2 0.3
assign (resid   20 and  name HN  )(resid   20 and  name HB1 ) 3.0 1.2 0.3
assign (resid   20 and  name HN  )(resid   20 and  name HB2 ) 3.0 1.2 0.3
assign (resid   20 and  name HA  )(resid   20 and  name HB# ) 3.0 1.2 0.3
assign (resid   20 and  name HN  )(resid   19 and  name HA  ) 2.5 0.7 0.2
assign (resid   20 and  name HN  )(resid   19 and  name HB# ) 3.0 1.2 0.3
assign (resid   20 and  name HN  )(resid   19 and  name HD# ) 4.0 2.2 1.0
assign (resid   20 and  name HA  )(resid   23 and  name HB# ) 4.0 2.2 1.0
!! ALA 21
assign (resid   21 and  name HN  )(resid   21 and  name HA  ) 3.0 1.2 0.3
assign (resid   21 and  name HN  )(resid   21 and  name HB# ) 2.5 0.7 0.2
assign (resid   21 and  name HA  )(resid   21 and  name HB# ) 2.5 0.7 0.2
assign (resid   21 and  name HN  )(resid   20 and  name HA  ) 4.0 2.2 1.0
assign (resid   21 and  name HN  )(resid   20 and  name HN  ) 4.0 2.2 1.0
assign (resid   21 and  name HN  )(resid   20 and  name HB1 ) 3.0 1.2 0.3
assign (resid   21 and  name HN  )(resid   20 and  name HB2 ) 3.0 1.2 0.3
assign (resid   21 and  name HN  )(resid   19 and  name HB1 ) 3.0 1.2 0.3
assign (resid   21 and  name HN  )(resid   19 and  name HB2 ) 3.0 1.2 0.3
assign (resid   21 and  name HN  )(resid   19 and  name HG# ) 4.0 2.2 1.0
assign (resid   21 and  name HN  )(resid   19 and  name HD# ) 4.0 2.2 1.0
assign (resid   21 and  name HB# )(resid   19 and  name HD# ) 4.0 2.2 1.0
assign (resid   21 and  name HA  )(resid   24 and  name HB1 ) 3.0 1.2 0.3
assign (resid   21 and  name HA  )(resid   24 and  name HB2 ) 3.0 1.2 0.3
!! TYR 22  
assign (resid   22 and  name HN  )(resid   22 and  name HA  ) 3.0 1.2 0.3
assign (resid   22 and  name HN  )(resid   22 and  name HB1 ) 2.5 0.7 0.2
assign (resid   22 and  name HN  )(resid   22 and  name HB2 ) 2.5 0.7 0.2
assign (resid   22 and  name HA  )(resid   22 and  name HB1 ) 3.0 1.2 0.3
assign (resid   22 and  name HA  )(resid   22 and  name HB2 ) 3.0 1.2 0.3
assign (resid   22 and  name HA  )(resid   22 and  name HD# ) 2.5 0.7 0.2
assign (resid   22 and  name HN  )(resid   22 and  name HD# ) 4.0 2.2 1.0
assign (resid   22 and  name HA  )(resid   22 and  name HE# ) 4.0 2.2 1.0
assign (resid   22 and  name HB1 )(resid   22 and  name HD# ) 2.5 0.7 0.2
assign (resid   22 and  name HB2 )(resid   22 and  name HD# ) 2.5 0.7 0.2
assign (resid   22 and  name HB1 )(resid   22 and  name HE# ) 4.0 2.2 1.0
assign (resid   22 and  name HB2 )(resid   22 and  name HE# ) 4.0 2.2 1.0
assign (resid   22 and  name HN  )(resid   21 and  name HN  ) 3.0 1.2 0.5
assign (resid   22 and  name HN  )(resid   21 and  name HA  ) 3.0 1.2 1.0
assign (resid   22 and  name HN  )(resid   21 and  name HB# ) 3.0 1.2 0.3
assign (resid   22 and  name HD# )(resid   23 and  name HA  ) 3.0 1.2 0.3
assign (resid   22 and  name HE# )(resid   23 and  name HA  ) 4.0 2.2 1.0
assign (resid   22 and  name HN  )(resid   20 and  name HN  ) 4.0 2.2 1.0
assign (resid   22 and  name HN  )(resid   19 and  name HA  ) 4.0 2.2 1.0
assign (resid   22 and  name HA  )(resid   25 and  name HB# ) 4.0 2.2 1.0
assign (resid   22 and  name HN  )(resid   19 and  name HB1 ) 4.0 2.2 1.0
assign (resid   22 and  name HN  )(resid   19 and  name HB2 ) 4.0 2.2 1.0
assign (resid   22 and  name HN  )(resid   19 and  name HG# ) 4.0 2.2 1.0
assign (resid   22 and  name HD# )(resid   17 and  name HA  ) 4.0 2.2 1.0
assign (resid   22 and  name HD# )(resid   26 and  name HB# ) 4.0 2.2 1.0
assign (resid   22 and  name HD# )(resid   26 and  name HD1#) 4.0 2.2 1.0
assign (resid   22 and  name HD# )(resid   26 and  name HD2#) 4.0 2.2 1.0
assign (resid   22 and  name HE# )(resid   17 and  name HA  ) 4.0 2.2 1.0
assign (resid   22 and  name HE# )(resid   17 and  name HB# ) 4.0 2.2 1.0
assign (resid   22 and  name HE# )(resid   26 and  name HB# ) 4.0 2.2 1.0
assign (resid   22 and  name HE# )(resid   26 and  name HD1#) 3.0 1.2 0.3
assign (resid   22 and  name HE# )(resid   26 and  name HD2#) 3.0 1.2 0.3
assign (resid   22 and  name HE# )(resid   15 and  name HB1 ) 4.0 2.2 1.0
assign (resid   22 and  name HE# )(resid   15 and  name HB2 ) 4.0 2.2 1.0
assign (resid   22 and  name HD# )(resid   15 and  name HB1 ) 4.0 2.2 1.0
assign (resid   22 and  name HD# )(resid   15 and  name HB2 ) 4.0 2.2 1.0
!! CYS 23 
assign (resid   23 and  name HN  )(resid   23 and  name HA  ) 3.0 1.2 0.3
assign (resid   23 and  name HN  )(resid   23 and  name HB1 ) 3.0 1.2 0.3
assign (resid   23 and  name HN  )(resid   23 and  name HB2 ) 3.0 1.2 0.3
assign (resid   23 and  name HA  )(resid   23 and  name HB1 ) 3.0 1.2 0.3
assign (resid   23 and  name HA  )(resid   23 and  name HB2 ) 3.0 1.2 0.3
assign (resid   23 and  name HN  )(resid   22 and  name HN  ) 3.0 1.2 0.3
assign (resid   23 and  name HN  )(resid   22 and  name HA  ) 3.0 1.2 1.0
assign (resid   23 and  name HN  )(resid   22 and  name HB1 ) 3.0 1.2 0.3
assign (resid   23 and  name HN  )(resid   22 and  name HB2 ) 3.0 1.2 0.3
assign (resid   23 and  name HN  )(resid   20 and  name HA  ) 4.0 2.2 1.0
assign (resid   23 and  name HN  )(resid   21 and  name HN  ) 4.0 2.2 1.0
assign (resid   23 and  name HN  )(resid   36 and  name HA  ) 4.0 2.2 1.0
assign (resid   23 and  name HN  )(resid   21 and  name HB# ) 4.0 2.2 1.0
assign (resid   23 and  name HA  )(resid   26 and  name HB1 ) 3.0 1.2 0.3
assign (resid   23 and  name HA  )(resid   26 and  name HB2 ) 3.0 1.2 0.3
assign (resid   23 and  name HA  )(resid   26 and  name HG  ) 4.0 2.2 1.0
assign (resid   23 and  name HA  )(resid   26 and  name HD2#) 3.0 1.2 0.3
!! ASN 24 
assign (resid   24 and  name HN  )(resid   24 and  name HA  ) 3.0 1.2 0.3
assign (resid   24 and  name HN  )(resid   24 and  name HB1 ) 2.5 0.7 0.2
assign (resid   24 and  name HN  )(resid   24 and  name HB2 ) 2.5 0.7 0.2
assign (resid   24 and  name HA  )(resid   24 and  name HB1 ) 3.0 1.2 0.3
assign (resid   24 and  name HA  )(resid   24 and  name HB2 ) 3.0 1.2 0.3
assign (resid   24 and  name HA  )(resid   24 and  name HD21) 4.0 2.2 1.0
assign (resid   24 and  name HA  )(resid   24 and  name HD22) 4.0 2.2 1.0
assign (resid   24 and  name HN  )(resid   24 and  name HD2#) 4.0 2.2 1.0
assign (resid   24 and  name HB# )(resid   24 and  name HD2#) 2.5 0.7 0.2
assign (resid   24 and  name HN  )(resid   23 and  name HN  ) 3.0 1.2 0.3
assign (resid   24 and  name HN  )(resid   23 and  name HA  ) 4.0 2.2 1.0
assign (resid   24 and  name HN  )(resid   23 and  name HB1 ) 3.0 1.2 0.3
assign (resid   24 and  name HN  )(resid   23 and  name HB2 ) 3.0 1.2 0.3
assign (resid   24 and  name HD21)(resid   25 and  name HA  ) 4.0 2.2 1.0
assign (resid   24 and  name HD22)(resid   25 and  name HA  ) 4.0 2.2 1.0
assign (resid   24 and  name HD2#)(resid   28 and  name HB  ) 4.0 2.2 1.0
assign (resid   24 and  name HN  )(resid   21 and  name HA  ) 4.0 2.2 1.0
assign (resid   24 and  name HD2#)(resid   35 and  name HN  ) 4.0 2.2 1.0
assign (resid   24 and  name HA  )(resid   27 and  name HB# ) 3.0 1.2 0.3
assign (resid   24 and  name HD21)(resid   28 and  name HG2#) 4.0 2.2 1.0
assign (resid   24 and  name HD22)(resid   28 and  name HG2#) 4.0 2.2 1.0
assign (resid   24 and  name HA  )(resid   28 and  name HG2#) 4.0 2.2 1.0
!! GLU 25
assign (resid   25 and  name HN  )(resid   25 and  name HA  ) 3.0 1.2 0.3
assign (resid   25 and  name HN  )(resid   25 and  name HB# ) 2.5 0.7 0.2
assign (resid   25 and  name HN  )(resid   25 and  name HG# ) 4.0 2.2 1.0
assign (resid   25 and  name HA  )(resid   25 and  name HB# ) 2.5 0.7 0.2
assign (resid   25 and  name HN  )(resid   24 and  name HN  ) 3.0 1.2 0.3
assign (resid   25 and  name HN  )(resid   24 and  name HA  ) 3.0 1.2 1.0
assign (resid   25 and  name HN  )(resid   23 and  name HN  ) 4.0 2.2 1.0
assign (resid   25 and  name HN  )(resid   22 and  name HA  ) 3.0 1.2 1.0
assign (resid   25 and  name HN  )(resid   21 and  name HA  ) 4.0 2.2 1.0
assign (resid   25 and  name HN  )(resid   21 and  name HB# ) 4.0 2.2 1.0
assign (resid   25 and  name HA  )(resid   28 and  name HG2#) 4.0 2.2 1.0
!! LEU 26 
assign (resid   26 and  name HN  )(resid   26 and  name HA  ) 3.0 1.2 0.3
assign (resid   26 and  name HN  )(resid   26 and  name HB1 ) 2.5 0.7 0.2
assign (resid   26 and  name HN  )(resid   26 and  name HB2 ) 2.5 0.7 0.2
assign (resid   26 and  name HN  )(resid   26 and  name HG  ) 4.0 2.2 1.0
assign (resid   26 and  name HN  )(resid   26 and  name HD1#) 4.0 2.2 1.0
assign (resid   26 and  name HN  )(resid   26 and  name HD2#) 4.0 2.2 1.0
assign (resid   26 and  name HA  )(resid   26 and  name HB1 ) 3.0 1.2 0.3
assign (resid   26 and  name HA  )(resid   26 and  name HB2 ) 3.0 1.2 0.3
assign (resid   26 and  name HA  )(resid   26 and  name HG  ) 4.0 2.2 1.0
assign (resid   26 and  name HA  )(resid   26 and  name HD1#) 4.0 2.2 1.0
assign (resid   26 and  name HA  )(resid   26 and  name HD2#) 4.0 2.2 1.0
assign (resid   26 and  name HB1 )(resid   26 and  name HD1#) 4.0 2.2 1.0
assign (resid   26 and  name HB1 )(resid   26 and  name HD2#) 4.0 2.2 1.0
assign (resid   26 and  name HB2 )(resid   26 and  name HD1#) 4.0 2.2 1.0
assign (resid   26 and  name HB2 )(resid   26 and  name HD2#) 4.0 2.2 1.0
assign (resid   26 and  name HN  )(resid   25 and  name HN  ) 3.0 1.2 0.3
assign (resid   26 and  name HN  )(resid   25 and  name HA  ) 3.0 1.2 1.0
assign (resid   26 and  name HN  )(resid   25 and  name HB# ) 3.0 1.2 0.3
assign (resid   26 and  name HN  )(resid   24 and  name HN  ) 4.0 2.2 1.0
assign (resid   26 and  name HN  )(resid   23 and  name HA  ) 3.0 1.2 0.5
assign (resid   26 and  name HN  )(resid   22 and  name HA  ) 4.0 2.2 1.0
assign (resid   26 and  name HA  )(resid   29 and  name HB# ) 4.0 2.2 1.0
assign (resid   26 and  name HA  )(resid   29 and  name HD# ) 4.0 2.2 1.0
assign (resid   26 and  name HA  )(resid   29 and  name HG# ) 4.0 2.2 1.0
!! CYS 27
assign (resid   27 and  name HN  )(resid   27 and  name HA  ) 3.0 1.2 0.3
assign (resid   27 and  name HN  )(resid   27 and  name HB# ) 2.5 0.7 0.2
assign (resid   27 and  name HA  )(resid   27 and  name HB# ) 2.5 0.7 0.2
assign (resid   27 and  name HN  )(resid   26 and  name HN  ) 3.0 1.2 0.3
assign (resid   27 and  name HN  )(resid   26 and  name HA  ) 3.0 1.2 1.0
assign (resid   27 and  name HN  )(resid   26 and  name HB# ) 4.0 2.2 1.0
assign (resid   27 and  name HN  )(resid   26 and  name HD1#) 4.0 2.2 1.0
assign (resid   27 and  name HN  )(resid   26 and  name HD2#) 4.0 2.2 1.0
assign (resid   27 and  name HN  )(resid   24 and  name HA  ) 4.0 2.2 1.0
assign (resid   27 and  name HN  )(resid   23 and  name HA  ) 4.0 2.2 1.0
assign (resid   27 and  name HN  )(resid   25 and  name HN  ) 4.0 2.2 1.0
assign (resid   27 and  name HN  )(resid   49 and  name HB1 ) 4.0 2.2 1.0
assign (resid   27 and  name HN  )(resid   49 and  name HB2 ) 4.0 2.2 1.0
assign (resid   27 and  name HA  )(resid   30 and  name HB1 ) 4.0 2.2 1.0
assign (resid   27 and  name HA  )(resid   30 and  name HB2 ) 4.0 2.2 1.0
assign (resid   27 and  name HB# )(resid   32 and  name HB# ) 3.0 1.2 0.3
assign (resid   27 and  name HB# )(resid   52 and  name HD1#) 4.0 2.2 1.0
!! THR 28
assign (resid   28 and  name HN  )(resid   28 and  name HA  ) 3.0 1.2 0.3
assign (resid   28 and  name HN  )(resid   28 and  name HG2#) 3.0 1.2 0.3
assign (resid   28 and  name HA  )(resid   28 and  name HB  ) 3.0 1.2 0.3
assign (resid   28 and  name HA  )(resid   28 and  name HG2#) 4.0 2.2 1.0
assign (resid   28 and  name HN  )(resid   27 and  name HN  ) 3.0 1.2 0.3
assign (resid   28 and  name HN  )(resid   27 and  name HA  ) 3.0 1.2 1.0
assign (resid   28 and  name HN  )(resid   27 and  name HB# ) 3.0 1.2 0.3
assign (resid   28 and  name HN  )(resid   25 and  name HA  ) 4.0 2.2 1.0 
assign (resid   28 and  name HN  )(resid   24 and  name HA  ) 4.0 2.2 1.0
assign (resid   28 and  name HN  )(resid   26 and  name HN  ) 4.0 2.2 1.0
assign (resid   28 and  name HA  )(resid   32 and  name HB# ) 4.0 2.2 1.0
!! LYS 29
assign (resid   29 and  name HN  )(resid   29 and  name HA  ) 3.0 1.2 0.3
assign (resid   29 and  name HN  )(resid   29 and  name HB1 ) 3.0 1.2 0.3
assign (resid   29 and  name HN  )(resid   29 and  name HB2 ) 3.0 1.2 0.3
assign (resid   29 and  name HA  )(resid   29 and  name HB1 ) 2.5 0.7 0.2
assign (resid   29 and  name HA  )(resid   29 and  name HB2 ) 2.5 0.7 0.2
assign (resid   29 and  name HA  )(resid   29 and  name HG# ) 4.0 2.2 1.0
assign (resid   29 and  name HA  )(resid   29 and  name HD# ) 4.0 2.2 1.0
assign (resid   29 and  name HN  )(resid   28 and  name HN  ) 3.0 1.2 0.3
assign (resid   29 and  name HN  )(resid   28 and  name HG2#) 4.0 2.2 1.0
assign (resid   29 and  name HN  )(resid   27 and  name HN  ) 4.0 2.2 1.0
assign (resid   29 and  name HN  )(resid   26 and  name HA  ) 4.0 2.2 1.0
assign (resid   29 and  name HN  )(resid   25 and  name HA  ) 4.0 2.2 1.0
!! ASN 30
assign (resid   30 and  name HN  )(resid   30 and  name HB# ) 2.5 0.7 0.2
assign (resid   30 and  name HN  )(resid   30 and  name HD21) 4.0 2.2 1.0
assign (resid   30 and  name HN  )(resid   30 and  name HD22) 4.0 2.2 1.0
assign (resid   30 and  name HA  )(resid   30 and  name HD2#) 4.0 2.2 1.0
assign (resid   30 and  name HB1 )(resid   30 and  name HD2#) 3.0 1.2 0.3
assign (resid   30 and  name HB2 )(resid   30 and  name HD2#) 3.0 1.2 0.3
assign (resid   30 and  name HN  )(resid   29 and  name HN  ) 3.0 1.2 0.3
assign (resid   30 and  name HN  )(resid   29 and  name HA  ) 3.0 1.2 1.0
assign (resid   30 and  name HN  )(resid   29 and  name HB1 ) 3.0 1.2 0.3
assign (resid   30 and  name HN  )(resid   29 and  name HB2 ) 3.0 1.2 0.3
assign (resid   30 and  name HD21)(resid   29 and  name HB1 ) 4.0 2.2 1.0
assign (resid   30 and  name HD21)(resid   29 and  name HB2 ) 4.0 2.2 1.0
assign (resid   30 and  name HD22)(resid   29 and  name HB1 ) 4.0 2.2 1.0
assign (resid   30 and  name HD22)(resid   29 and  name HB2 ) 4.0 2.2 1.0
assign (resid   30 and  name HD2#)(resid   29 and  name HG# ) 4.0 2.2 1.0
assign (resid   30 and  name HN  )(resid   29 and  name HG# ) 4.0 2.2 1.0
assign (resid   30 and  name HN  )(resid   27 and  name HA  ) 3.0 1.2 0.5
assign (resid   30 and  name HN  )(resid   26 and  name HA  ) 4.0 2.2 1.0
assign (resid   30 and  name HB1 )(resid   56 and  name HG1#) 4.0 2.2 1.0
assign (resid   30 and  name HB2 )(resid   56 and  name HG2#) 4.0 2.2 1.0
assign (resid   30 and  name HB1 )(resid   56 and  name HG2#) 4.0 2.2 1.0
assign (resid   30 and  name HB2 )(resid   56 and  name HG1#) 4.0 2.2 1.0
assign (resid   30 and  name HB1 )(resid   52 and  name HD1#) 4.0 2.2 1.0
assign (resid   30 and  name HB2 )(resid   52 and  name HD1#) 4.0 2.2 1.0
assign (resid   30 and  name HB1 )(resid    7 and  name HD1#) 4.0 2.2 1.0
assign (resid   30 and  name HB2 )(resid    7 and  name HD1#) 4.0 2.2 1.0
assign (resid   30 and  name HD21)(resid   26 and  name HD1#) 3.0 1.2 0.3
assign (resid   30 and  name HD22)(resid   26 and  name HD1#) 3.0 1.2 0.3
assign (resid   30 and  name HD21)(resid   52 and  name HD1#) 4.0 2.2 1.0
assign (resid   30 and  name HD22)(resid   52 and  name HD1#) 4.0 2.2 1.0
assign (resid   30 and  name HN  )(resid   56 and  name HG* ) 4.0 2.2 1.0
assign (resid   30 and  name HD21)(resid    7 and  name HD1#) 4.0 2.2 1.0
assign (resid   30 and  name HD22)(resid    7 and  name HD1#) 4.0 2.2 1.0
assign (resid   30 and  name HN  )(resid    7 and  name HD1#) 4.0 2.2 1.0
assign (resid   30 and  name HN  )(resid   52 and  name HD1#) 4.0 2.2 1.0
assign (resid   30 and  name HD21)(resid   27 and  name HA  ) 4.0 2.2 1.0
assign (resid   30 and  name HD22)(resid   27 and  name HA  ) 4.0 2.2 1.0
assign (resid   30 and  name HD21)(resid   26 and  name HA  ) 4.0 2.2 1.0
assign (resid   30 and  name HD22)(resid   26 and  name HA  ) 4.0 2.2 1.0
assign (resid   30 and  name HD2#)(resid   27 and  name HN  ) 4.0 2.2 1.0
!! GLY 31
assign (resid   31 and  name HN  )(resid   31 and  name HA1 ) 3.0 1.2 0.3
assign (resid   31 and  name HN  )(resid   31 and  name HA2 ) 3.0 1.2 0.3
assign (resid   31 and  name HN  )(resid   30 and  name HB1 ) 4.0 2.2 1.0
assign (resid   31 and  name HN  )(resid   30 and  name HB2 ) 4.0 2.2 1.0
assign (resid   31 and  name HN  )(resid   30 and  name HN  ) 3.0 1.2 0.3
assign (resid   31 and  name HN  )(resid   29 and  name HN  ) 4.0 2.2 1.0
assign (resid   31 and  name HN  )(resid   29 and  name HB1 ) 4.0 2.2 1.0
assign (resid   31 and  name HN  )(resid   29 and  name HB2 ) 4.0 2.2 1.0
assign (resid   31 and  name HN  )(resid   28 and  name HA  ) 3.0 1.2 1.0
assign (resid   31 and  name HN  )(resid   27 and  name HA  ) 4.0 2.2 1.0
!! ALA 32 
assign (resid   32 and  name HN  )(resid   32 and  name HA  ) 3.0 1.2 0.3
assign (resid   32 and  name HN  )(resid   32 and  name HB# ) 3.0 0.8 0.9
assign (resid   32 and  name HA  )(resid   32 and  name HB# ) 2.5 0.7 0.2
assign (resid   32 and  name HN  )(resid   31 and  name HA1 ) 3.0 1.2 0.3
assign (resid   32 and  name HN  )(resid   31 and  name HA2 ) 3.0 1.2 0.3
assign (resid   32 and  name HN  )(resid   31 and  name HN  ) 3.0 1.2 0.3
assign (resid   32 and  name HN  )(resid   28 and  name HA  ) 2.5 0.7 0.2
assign (resid   32 and  name HN  )(resid   30 and  name HN  ) 4.0 2.2 1.0
assign (resid   32 and  name HN  )(resid   30 and  name HB1 ) 4.0 2.2 1.0
assign (resid   32 and  name HN  )(resid   30 and  name HB2 ) 4.0 2.2 1.0
assign (resid   32 and  name HN  )(resid   28 and  name HG2#) 4.0 2.2 1.0
assign (resid   32 and  name HN  )(resid   52 and  name HD1#) 4.0 2.2 1.0
assign (resid   32 and  name HB# )(resid   52 and  name HD1#) 4.0 2.2 1.0
assign (resid   32 and  name HB# )(resid   52 and  name HD2#) 4.0 2.2 1.0
assign (resid   32 and  name HA  )(resid   52 and  name HD1#) 4.0 2.2 1.0
assign (resid   32 and  name HA  )(resid   53 and  name HD1 ) 3.0 1.2 0.3
assign (resid   32 and  name HA  )(resid   53 and  name HD2 ) 3.0 1.2 0.3
assign (resid   32 and  name HN  )(resid   56 and  name HG* ) 4.0 2.2 1.0
assign (resid   32 and  name HN  )(resid   53 and  name HD# ) 4.0 2.2 1.0
assign (resid   32 and  name HN  )(resid   27 and  name HA  ) 4.0 2.2 1.0
!! SER 33
assign (resid   33 and  name HN  )(resid   33 and  name HA  ) 3.0 1.2 0.3
assign (resid   33 and  name HN  )(resid   33 and  name HB1 ) 3.0 1.2 0.3
assign (resid   33 and  name HN  )(resid   33 and  name HB2 ) 3.0 1.2 0.3
assign (resid   33 and  name HA  )(resid   33 and  name HB# ) 2.5 0.7 0.2
assign (resid   33 and  name HN  )(resid   32 and  name HA  ) 2.5 0.7 0.2
assign (resid   33 and  name HN  )(resid   32 and  name HB# ) 2.5 0.7 0.2
assign (resid   33 and  name HN  )(resid   32 and  name HN  ) 4.0 2.2 1.0
assign (resid   33 and  name HB1 )(resid   32 and  name HB# ) 4.0 2.2 1.0
assign (resid   33 and  name HB2 )(resid   32 and  name HB# ) 4.0 2.2 1.0
assign (resid   33 and  name HN  )(resid    2 and  name HG* ) 4.0 2.2 1.0
!! SER 34
assign (resid   34 and  name HN  )(resid   33 and  name HA  ) 4.0 2.2 1.0
assign (resid   34 and  name HN  )(resid   33 and  name HN  ) 3.0 1.2 0.3
assign (resid   34 and  name HN  )(resid   33 and  name HB# ) 3.0 2.2 2.0
assign (resid   34 and  name HN  )(resid   32 and  name HA  ) 4.0 2.2 1.0
assign (resid   34 and  name HN  )(resid   49 and  name HA  ) 4.0 2.2 1.0
assign (resid   34 and  name HN  )(resid   50 and  name HB1 ) 3.0 1.2 0.3
assign (resid   34 and  name HN  )(resid   50 and  name HB2 ) 3.0 1.2 0.3
assign (resid   34 and  name HN  )(resid   32 and  name HB# ) 3.0 1.2 0.3
assign (resid   34 and  name HN  )(resid   28 and  name HG2#) 4.0 2.2 1.0
assign (resid   34 and  name HA  )(resid   28 and  name HG2#) 4.0 2.2 1.0
assign (resid   34 and  name HB# )(resid   28 and  name HG2#) 4.0 2.2 1.0
!! GLY 35
assign (resid   35 and  name HN  )(resid   35 and  name HA1 ) 3.0 1.2 0.3
assign (resid   35 and  name HN  )(resid   35 and  name HA1 ) 3.0 1.2 0.3
assign (resid   35 and  name HN  )(resid   34 and  name HA  ) 2.5 0.7 0.2
assign (resid   35 and  name HN  )(resid   34 and  name HB# ) 3.0 1.2 0.3
assign (resid   35 and  name HN  )(resid   24 and  name HA  ) 2.5 0.7 0.2
assign (resid   35 and  name HA1 )(resid   24 and  name HA  ) 4.0 2.2 1.0
assign (resid   35 and  name HA2 )(resid   24 and  name HA  ) 4.0 2.2 1.0
assign (resid   35 and  name HN  )(resid   24 and  name HB1 ) 4.0 2.2 1.0
assign (resid   35 and  name HN  )(resid   24 and  name HB2 ) 4.0 2.2 1.0
assign (resid   35 and  name HA1 )(resid   27 and  name HB# ) 4.0 2.2 1.0
assign (resid   35 and  name HA2 )(resid   27 and  name HB# ) 4.0 2.2 1.0
assign (resid   35 and  name HN  )(resid   27 and  name HB# ) 4.0 2.2 1.0
!! TYR 36 
assign (resid   36 and  name HN  )(resid   36 and  name HA  ) 3.0 1.2 0.3
assign (resid   36 and  name HN  )(resid   36 and  name HB# ) 4.0 2.2 1.0
assign (resid   36 and  name HN  )(resid   36 and  name HD# ) 3.0 3.2 3.0
assign (resid   36 and  name HN  )(resid   36 and  name HE# ) 4.0 2.2 1.0
assign (resid   36 and  name HA  )(resid   36 and  name HD# ) 4.0 2.2 1.0
assign (resid   36 and  name HB# )(resid   36 and  name HD# ) 2.5 0.7 0.2
assign (resid   36 and  name HB# )(resid   36 and  name HE# ) 4.0 2.2 1.0
assign (resid   36 and  name HN  )(resid   35 and  name HA1 ) 3.0 1.2 0.3
assign (resid   36 and  name HN  )(resid   35 and  name HA1 ) 3.0 1.2 0.3
assign (resid   36 and  name HN  )(resid   49 and  name HA  ) 3.0 1.2 0.3
assign (resid   36 and  name HA  )(resid   20 and  name HA  ) 3.0 1.2 0.5
assign (resid   36 and  name HA  )(resid   20 and  name HB1 ) 4.0 2.2 1.0
assign (resid   36 and  name HA  )(resid   20 and  name HB2 ) 4.0 2.2 1.0
assign (resid   36 and  name HN  )(resid   23 and  name HB1 ) 4.0 2.2 1.0
assign (resid   36 and  name HN  )(resid   23 and  name HB2 ) 4.0 2.2 1.0
assign (resid   36 and  name HA  )(resid   23 and  name HB1 ) 3.0 1.2 1.0
assign (resid   36 and  name HA  )(resid   23 and  name HB2 ) 3.0 1.2 1.0
assign (resid   36 and  name HD# )(resid   48 and  name HB# ) 4.0 2.2 1.0
assign (resid   36 and  name HD# )(resid   48 and  name HD1 ) 3.0 1.2 0.3
assign (resid   36 and  name HD# )(resid   38 and  name HB# ) 4.0 2.2 1.0
assign (resid   36 and  name HE# )(resid   48 and  name HB# ) 4.0 2.2 1.0
assign (resid   36 and  name HE# )(resid   48 and  name HD1 ) 3.0 1.2 0.3
assign (resid   36 and  name HE# )(resid   38 and  name HA  ) 2.5 0.7 0.2
assign (resid   36 and  name HE# )(resid   38 and  name HB# ) 3.0 1.2 0.3
assign (resid   36 and  name HE# )(resid   38 and  name HG1 ) 4.0 2.2 1.0
assign (resid   36 and  name HE# )(resid   38 and  name HG2 ) 4.0 2.2 1.0
!! CYS 37
assign (resid   37 and  name HN  )(resid   37 and  name HB# ) 3.0 1.2 0.3
assign (resid   37 and  name HA  )(resid   37 and  name HB# ) 2.5 0.7 0.2
assign (resid   37 and  name HN  )(resid   36 and  name HA  ) 2.5 0.7 0.2
assign (resid   37 and  name HN  )(resid   36 and  name HD# ) 3.0 1.2 0.3
assign (resid   37 and  name HN  )(resid   36 and  name HB# ) 3.0 1.2 0.3
assign (resid   37 and  name HN  )(resid   20 and  name HA  ) 2.5 0.7 0.5
assign (resid   37 and  name HN  )(resid   20 and  name HB# ) 4.0 2.2 1.0
assign (resid   37 and  name HN  )(resid   23 and  name HB1 ) 4.0 2.2 1.0
assign (resid   37 and  name HN  )(resid   23 and  name HB2 ) 4.0 2.2 1.0
assign (resid   37 and  name HA  )(resid   23 and  name HB# ) 4.0 2.2 1.0
assign (resid   37 and  name HN  )(resid   20 and  name HN  ) 4.0 2.2 1.0
!! GLN 38
assign (resid   38 and  name HN  )(resid   38 and  name HB1 ) 3.0 1.2 0.3
assign (resid   38 and  name HN  )(resid   38 and  name HB2 ) 3.0 1.2 0.3
assign (resid   38 and  name HN  )(resid   38 and  name HG# ) 4.0 2.2 1.0
assign (resid   38 and  name HA  )(resid   38 and  name HB# ) 3.0 1.2 0.3
assign (resid   38 and  name HG# )(resid   38 and  name HE2#) 4.0 2.2 1.0
assign (resid   38 and  name HN  )(resid   37 and  name HA  ) 2.5 0.7 0.2
assign (resid   38 and  name HN  )(resid   47 and  name HA  ) 3.0 1.2 0.3
!! TRP 39
assign (resid   39 and  name HN  )(resid   39 and  name HB1 ) 4.0 2.2 1.0
assign (resid   39 and  name HN  )(resid   39 and  name HB2 ) 4.0 2.2 1.0
assign (resid   39 and  name HA  )(resid   39 and  name HB# ) 3.0 1.2 0.3
assign (resid   39 and  name HA  )(resid   39 and  name HD1 ) 4.0 2.2 1.0
assign (resid   39 and  name HA  )(resid   39 and  name HE3 ) 4.0 2.2 1.0
assign (resid   39 and  name HB# )(resid   39 and  name HD1 ) 4.0 2.2 1.0
assign (resid   39 and  name HB# )(resid   39 and  name HE3 ) 3.0 1.2 0.3
assign (resid   39 and  name HN  )(resid   39 and  name HD1 ) 4.0 2.2 1.0
assign (resid   39 and  name HN  )(resid   39 and  name HE3 ) 3.0 1.2 1.0
assign (resid   39 and  name HN  )(resid   38 and  name HA  ) 3.0 1.2 0.3
assign (resid   39 and  name HN  )(resid   38 and  name HB# ) 4.0 2.2 1.0
assign (resid   39 and  name HN  )(resid   38 and  name HG# ) 4.0 2.2 1.0
assign (resid   39 and  name HD1 )(resid   40 and  name HB# ) 4.0 2.2 1.0
assign (resid   39 and  name HE3 )(resid   45 and  name HD2#) 4.0 2.2 1.0
assign (resid   39 and  name HZ3 )(resid   45 and  name HD2#) 4.0 2.2 1.0
assign (resid   39 and  name HZ2 )(resid   18 and  name HA  ) 3.0 1.2 1.0
assign (resid   39 and  name HN  )(resid   36 and  name HE# ) 4.0 2.2 1.0
assign (resid   39 and  name HE1 )(resid   37 and  name HB# ) 4.0 2.2 1.0
!! ALA 40
assign (resid   40 and  name HN  )(resid   40 and  name HA  ) 3.0 1.2 0.3
assign (resid   40 and  name HN  )(resid   40 and  name HB# ) 3.0 1.2 0.3
assign (resid   40 and  name HA  )(resid   40 and  name HB# ) 3.0 1.2 0.3
assign (resid   40 and  name HN  )(resid   39 and  name HA  ) 2.5 0.7 0.2
assign (resid   40 and  name HN  )(resid   39 and  name HN  ) 4.0 2.2 1.0
assign (resid   40 and  name HN  )(resid   39 and  name HB1 ) 4.0 2.2 1.0
assign (resid   40 and  name HN  )(resid   39 and  name HB2 ) 4.0 2.2 1.0
assign (resid   40 and  name HN  )(resid   45 and  name HA  ) 3.0 1.2 0.3
assign (resid   40 and  name HN  )(resid   45 and  name HB1 ) 4.0 2.2 1.0
!! GLY 41
assign (resid   41 and  name HN  )(resid   41 and  name HA1 ) 3.0 1.2 0.3
assign (resid   41 and  name HN  )(resid   41 and  name HA2 ) 3.0 1.2 0.3
assign (resid   41 and  name HN  )(resid   40 and  name HA  ) 3.0 1.2 0.3
assign (resid   41 and  name HN  )(resid   40 and  name HB# ) 4.0 2.2 1.0
assign (resid   41 and  name HN  )(resid   40 and  name HN  ) 3.0 1.2 1.0
!! LYS 42 
assign (resid   42 and  name HN  )(resid   42 and  name HA  ) 3.0 1.2 0.3
assign (resid   42 and  name HN  )(resid   42 and  name HB# ) 3.0 1.2 0.3
assign (resid   42 and  name HN  )(resid   42 and  name HG# ) 3.0 1.2 0.3
assign (resid   42 and  name HA  )(resid   42 and  name HB# ) 2.5 0.7 0.2
assign (resid   42 and  name HA  )(resid   42 and  name HG# ) 3.0 1.2 0.3
assign (resid   42 and  name HN  )(resid   41 and  name HA1 ) 3.0 1.2 0.3
assign (resid   42 and  name HN  )(resid   41 and  name HA2 ) 3.0 1.2 0.3
!! TYR 43
assign (resid   43 and  name HN  )(resid   43 and  name HB# ) 4.0 2.2 1.0
assign (resid   43 and  name HN  )(resid   43 and  name HD# ) 3.0 3.2 3.0
assign (resid   43 and  name HN  )(resid   43 and  name HE# ) 4.0 2.2 1.0
assign (resid   43 and  name HA  )(resid   43 and  name HD# ) 3.0 1.2 0.3
assign (resid   43 and  name HA  )(resid   43 and  name HE# ) 4.0 2.2 1.0
assign (resid   43 and  name HB1 )(resid   43 and  name HD# ) 2.5 0.7 0.2
assign (resid   43 and  name HB2 )(resid   43 and  name HD# ) 2.5 0.7 0.2
assign (resid   43 and  name HB1 )(resid   43 and  name HE# ) 4.0 2.2 1.0
assign (resid   43 and  name HB2 )(resid   43 and  name HE# ) 4.0 2.2 1.0
assign (resid   43 and  name HD# )(resid   42 and  name HB# ) 3.0 1.2 0.3
assign (resid   43 and  name HD# )(resid   42 and  name HG# ) 4.0 2.2 1.0
assign (resid   43 and  name HE# )(resid   42 and  name HB# ) 3.0 1.2 0.3
assign (resid   43 and  name HE# )(resid   42 and  name HG# ) 4.0 2.2 1.0
assign (resid   43 and  name HE# )(resid   42 and  name HE# ) 4.0 2.2 1.0
assign (resid   43 and  name HB# )(resid   42 and  name HB# ) 4.0 2.2 1.0
assign (resid   43 and  name HN  )(resid    6 and  name HD# ) 4.0 2.2 1.0
assign (resid   43 and  name HN  )(resid    6 and  name HE# ) 4.0 2.2 1.0
assign (resid   43 and  name HD# )(resid    6 and  name HD# ) 3.0 1.2 0.3
assign (resid   43 and  name HD# )(resid    6 and  name HE# ) 3.0 1.2 0.3
assign (resid   43 and  name HE# )(resid    6 and  name HD# ) 3.0 1.2 0.3
assign (resid   43 and  name HE# )(resid    6 and  name HE# ) 3.0 1.2 0.3
assign (resid   43 and  name HD# )(resid   14 and  name HG1#) 4.0 2.2 1.0
assign (resid   43 and  name HE# )(resid   14 and  name HG1#) 4.0 2.2 1.0
assign (resid   43 and  name HB# )(resid   14 and  name HG1#) 4.0 2.2 1.0
assign (resid   43 and  name HB# )(resid   14 and  name HG2#) 4.0 2.2 1.0
assign (resid   43 and  name HD# )(resid   59 and  name HG# ) 4.0 2.2 1.0
assign (resid   43 and  name HE# )(resid   59 and  name HG# ) 4.0 2.2 1.0
assign (resid   43 and  name HE# )(resid   59 and  name HB# ) 4.0 2.2 1.0
assign (resid   43 and  name HE# )(resid   38 and  name HA  ) 4.0 2.2 1.0
!! GLY 44 
assign (resid   44 and  name HN  )(resid   44 and  name HA1 ) 3.0 1.2 0.3
assign (resid   44 and  name HN  )(resid   44 and  name HA2 ) 3.0 1.2 0.3
assign (resid   44 and  name HN  )(resid   43 and  name HA  ) 4.0 2.2 1.0
assign (resid   44 and  name HN  )(resid   43 and  name HB# ) 4.0 2.2 1.0
assign (resid   44 and  name HN  )(resid   43 and  name HN  ) 3.0 1.2 0.3
assign (resid   44 and  name HN  )(resid   42 and  name HA  ) 4.0 2.2 1.0
assign (resid   44 and  name HN  )(resid   42 and  name HB1 ) 4.0 2.2 1.0
assign (resid   44 and  name HN  )(resid   42 and  name HB2 ) 4.0 2.2 1.0
!! ASN 45
assign (resid   45 and  name HN  )(resid   45 and  name HA  ) 3.0 1.2 0.3
assign (resid   45 and  name HN  )(resid   45 and  name HB1 ) 3.0 1.2 0.3
assign (resid   45 and  name HN  )(resid   45 and  name HB2 ) 3.0 1.2 0.3 
assign (resid   45 and  name HA  )(resid   45 and  name HB1 ) 3.0 1.2 0.3
assign (resid   45 and  name HA  )(resid   45 and  name HB2 ) 3.0 1.2 0.3
assign (resid   45 and  name HB1 )(resid   45 and  name HD21) 4.0 2.2 1.0
assign (resid   45 and  name HB2 )(resid   45 and  name HD21) 4.0 2.2 1.0
assign (resid   45 and  name HB1 )(resid   45 and  name HD22) 4.0 2.2 1.0
assign (resid   45 and  name HB2 )(resid   45 and  name HD22) 4.0 2.2 1.0
assign (resid   45 and  name HN  )(resid   44 and  name HA# ) 2.5 0.7 0.2
assign (resid   45 and  name HN  )(resid   44 and  name HN  ) 4.0 2.2 1.0
assign (resid   45 and  name HA  )(resid   39 and  name HA  ) 2.5 0.7 0.2
!! ALA 46
assign (resid   46 and  name HN  )(resid   46 and  name HA  ) 3.0 1.2 0.3
assign (resid   46 and  name HN  )(resid   46 and  name HB# ) 3.0 1.2 0.3
assign (resid   46 and  name HA  )(resid   46 and  name HB# ) 2.5 0.7 0.2
assign (resid   46 and  name HN  )(resid   45 and  name HA  ) 2.5 0.7 0.2
assign (resid   46 and  name HN  )(resid   45 and  name HB1 ) 4.0 2.2 1.0
assign (resid   46 and  name HA  )(resid   16 and  name HA  ) 3.0 1.2 0.3
assign (resid   46 and  name HA  )(resid   14 and  name HB  ) 4.0 2.2 1.0
assign (resid   46 and  name HA  )(resid   14 and  name HG1#) 4.0 2.2 1.0
assign (resid   46 and  name HA  )(resid   14 and  name HG2#) 4.0 2.2 1.0
assign (resid   46 and  name HB# )(resid   14 and  name HG1#) 3.0 1.2 0.3
assign (resid   46 and  name HB# )(resid   14 and  name HG2#) 3.0 1.2 0.3
!! CYS 47
assign (resid   47 and  name HN  )(resid   47 and  name HA  ) 3.0 1.2 0.3
assign (resid   47 and  name HA  )(resid   47 and  name HB# ) 3.0 1.2 0.3
assign (resid   47 and  name HN  )(resid   46 and  name HA  ) 3.0 1.2 0.3
assign (resid   47 and  name HN  )(resid   46 and  name HB# ) 4.0 2.2 1.0
assign (resid   47 and  name HA  )(resid   37 and  name HA  ) 2.5 0.7 0.2
assign (resid   47 and  name HA  )(resid   23 and  name HB# ) 4.0 2.2 1.0
assign (resid   47 and  name HN  )(resid   14 and  name HG2#) 4.0 2.2 1.0
!! TRP 48
assign (resid   48 and  name HN  )(resid   48 and  name HA  ) 3.0 1.2 0.3
assign (resid   48 and  name HN  )(resid   48 and  name HB# ) 4.0 2.2 1.0
assign (resid   48 and  name HA  )(resid   48 and  name HB# ) 3.0 1.2 0.3
assign (resid   48 and  name HA  )(resid   48 and  name HE3 ) 3.0 1.2 0.3
assign (resid   48 and  name HA  )(resid   48 and  name HD1 ) 4.0 2.2 1.0
assign (resid   48 and  name HB# )(resid   48 and  name HE3 ) 4.0 2.2 1.0
assign (resid   48 and  name HB# )(resid   48 and  name HD1 ) 3.0 1.2 0.3
assign (resid   48 and  name HN  )(resid   47 and  name HA  ) 2.5 0.7 0.2
assign (resid   48 and  name HN  )(resid   47 and  name HB# ) 4.0 2.2 1.0
assign (resid   48 and  name HN  )(resid   47 and  name HN  ) 4.0 2.2 1.0
assign (resid   48 and  name HN  )(resid   37 and  name HA  ) 3.0 1.2 0.3
assign (resid   48 and  name HN  )(resid   36 and  name HN  ) 3.0 1.2 1.0
assign (resid   48 and  name HN  )(resid   38 and  name HN  ) 4.0 2.2 1.0
assign (resid   48 and  name HA  )(resid    6 and  name HA  ) 2.5 0.7 0.2 
assign (resid   48 and  name HN  )(resid    6 and  name HD# ) 4.0 2.2 1.0
assign (resid   48 and  name HN  )(resid   36 and  name HD# ) 4.0 2.2 1.0
assign (resid   48 and  name HE1 )(resid    4 and  name HA  ) 4.0 2.2 1.0
assign (resid   48 and  name HE1 )(resid    4 and  name HB1 ) 3.0 1.2 0.5
assign (resid   48 and  name HE1 )(resid    4 and  name HB2 ) 3.0 1.2 0.5
assign (resid   48 and  name HZ2 )(resid    4 and  name HA  ) 4.0 2.2 1.0
assign (resid   48 and  name HZ2 )(resid    4 and  name HB1 ) 2.5 0.7 0.2
assign (resid   48 and  name HZ2 )(resid    4 and  name HB2 ) 2.5 0.7 0.2
assign (resid   48 and  name HZ2 )(resid    5 and  name HA  ) 4.0 2.2 1.0
assign (resid   48 and  name HH2 )(resid    4 and  name HA  ) 4.0 2.2 1.0
assign (resid   48 and  name HH2 )(resid    4 and  name HB1 ) 4.0 2.2 1.0
assign (resid   48 and  name HH2 )(resid    4 and  name HB2 ) 4.0 2.2 1.0
assign (resid   48 and  name HH2 )(resid    5 and  name HA  ) 2.5 0.7 0.2
assign (resid   48 and  name HZ3 )(resid    5 and  name HA  ) 3.0 1.2 0.3
assign (resid   48 and  name HE3 )(resid    5 and  name HA  ) 4.0 2.2 1.0
assign (resid   48 and  name HE1 )(resid   36 and  name HE# ) 4.0 2.2 1.0
assign (resid   48 and  name HE3 )(resid    6 and  name HA  ) 4.0 2.2 1.0
!! CYS 49
assign (resid   49 and  name HN  )(resid   49 and  name HA  ) 3.0 1.2 0.3
assign (resid   49 and  name HN  )(resid   49 and  name HB# ) 3.0 1.2 0.3
assign (resid   49 and  name HA  )(resid   49 and  name HB# ) 2.5 0.7 0.2
assign (resid   49 and  name HN  )(resid   48 and  name HA  ) 2.5 0.7 0.2
assign (resid   49 and  name HN  )(resid    6 and  name HA  ) 3.0 1.2 0.3
assign (resid   49 and  name HN  )(resid    5 and  name HN  ) 3.0 1.2 1.0
assign (resid   49 and  name HN  )(resid    7 and  name HN  ) 4.0 2.2 1.0
assign (resid   49 and  name HA  )(resid   35 and  name HA1 ) 2.5 0.7 0.2
assign (resid   49 and  name HA  )(resid   35 and  name HA2 ) 2.5 0.7 0.2
assign (resid   49 and  name HB1 )(resid   27 and  name HB# ) 4.0 2.2 1.0
assign (resid   49 and  name HB2 )(resid   27 and  name HB# ) 4.0 2.2 1.0
assign (resid   49 and  name HA  )(resid   27 and  name HB# ) 4.0 2.2 1.0
assign (resid   49 and  name HA  )(resid   32 and  name HB# ) 4.0 2.2 1.0
assign (resid   49 and  name HB1 )(resid   32 and  name HB# ) 4.0 2.2 1.0
assign (resid   49 and  name HB2 )(resid   32 and  name HB# ) 4.0 2.2 1.0
assign (resid   49 and  name HB1 )(resid   52 and  name HB# ) 4.0 2.2 1.0
assign (resid   49 and  name HB2 )(resid   52 and  name HB# ) 4.0 2.2 1.0
assign (resid   49 and  name HB1 )(resid   52 and  name HD1#) 4.0 2.2 1.0
assign (resid   49 and  name HB2 )(resid   52 and  name HD2#) 4.0 2.2 1.0
assign (resid   49 and  name HB1 )(resid   52 and  name HD1#) 4.0 2.2 1.0
assign (resid   49 and  name HB2 )(resid   52 and  name HD2#) 4.0 2.2 1.0
assign (resid   49 and  name HN  )(resid    5 and  name HB# ) 4.0 2.2 1.0
!! TYR 50 
assign (resid   50 and  name HN  )(resid   50 and  name HB1 ) 3.0 1.2 0.3
assign (resid   50 and  name HN  )(resid   50 and  name HB2 ) 3.0 1.2 0.3
assign (resid   50 and  name HN  )(resid   50 and  name HD# ) 3.0 1.2 0.3
assign (resid   50 and  name HA  )(resid   50 and  name HD# ) 4.0 2.2 1.0
assign (resid   50 and  name HB1 )(resid   50 and  name HD# ) 2.5 0.7 0.2
assign (resid   50 and  name HB2 )(resid   50 and  name HD# ) 2.5 0.7 0.2
assign (resid   50 and  name HN  )(resid   49 and  name HA  ) 2.5 0.7 0.2 
assign (resid   50 and  name HN  )(resid   49 and  name HB1 ) 4.0 2.2 1.0
assign (resid   50 and  name HD# )(resid   49 and  name HA  ) 4.0 2.2 1.0
assign (resid   50 and  name HN  )(resid   35 and  name HA# ) 3.0 1.2 0.3
assign (resid   50 and  name HN  )(resid   34 and  name HN  ) 3.0 1.2 0.5
assign (resid   50 and  name HA  )(resid    4 and  name HA  ) 2.5 0.7 0.2
assign (resid   50 and  name HD# )(resid   35 and  name HA1 ) 4.0 2.2 1.0
assign (resid   50 and  name HD# )(resid   35 and  name HA2 ) 4.0 2.2 1.0
assign (resid   50 and  name HD# )(resid   34 and  name HB1 ) 4.0 2.2 1.0
assign (resid   50 and  name HD# )(resid   34 and  name HB2 ) 4.0 2.2 1.0
assign (resid   50 and  name HD# )(resid   48 and  name HD1 ) 4.0 2.2 1.0
assign (resid   50 and  name HD# )(resid   48 and  name HE1 ) 4.0 2.2 1.0 
assign (resid   50 and  name HE# )(resid   48 and  name HD1 ) 3.0 1.2 0.3
assign (resid   50 and  name HN  )(resid   32 and  name HB# ) 4.0 2.2 1.0
!! ALA 51
assign (resid   51 and  name HN  )(resid   51 and  name HA  ) 2.5 0.7 0.2
assign (resid   51 and  name HN  )(resid   51 and  name HB# ) 3.0 1.2 0.3
assign (resid   51 and  name HA  )(resid   51 and  name HB# ) 2.5 0.7 0.2
assign (resid   51 and  name HN  )(resid   50 and  name HA  ) 2.5 0.7 0.2
assign (resid   51 and  name HN  )(resid   50 and  name HB1 ) 4.0 2.2 1.0
assign (resid   51 and  name HN  )(resid   50 and  name HB2 ) 4.0 2.2 1.0
assign (resid   51 and  name HN  )(resid   50 and  name HD# ) 4.0 2.2 1.0
assign (resid   51 and  name HN  )(resid   52 and  name HB# ) 4.0 2.2 1.0
assign (resid   51 and  name HA  )(resid   52 and  name HB1 ) 4.0 2.2 1.0
assign (resid   51 and  name HA  )(resid   52 and  name HB2 ) 4.0 2.2 1.0
assign (resid   51 and  name HN  )(resid    4 and  name HA  ) 3.0 1.2 0.3
assign (resid   51 and  name HN  )(resid    5 and  name HN  ) 4.0 2.2 1.0
assign (resid   51 and  name HN  )(resid    2 and  name HB  ) 4.0 2.2 1.0
assign (resid   51 and  name HN  )(resid    2 and  name HG* ) 4.0 2.2 1.0
assign (resid   51 and  name HA  )(resid    2 and  name HG* ) 4.0 2.2 1.0
assign (resid   51 and  name HA  )(resid    2 and  name HB  ) 4.0 2.2 1.0
assign (resid   51 and  name HB# )(resid    2 and  name HG* ) 4.0 2.2 1.0
!! LEU 52
assign (resid   52 and  name HN  )(resid   52 and  name HA  ) 3.0 1.2 0.3
assign (resid   52 and  name HN  )(resid   52 and  name HB1 ) 3.0 1.2 0.3
assign (resid   52 and  name HN  )(resid   52 and  name HB2 ) 3.0 1.2 0.3
assign (resid   52 and  name HN  )(resid   52 and  name HG  ) 4.0 2.2 1.0
assign (resid   52 and  name HN  )(resid   52 and  name HD1#) 4.0 2.2 1.0
assign (resid   52 and  name HN  )(resid   52 and  name HD2#) 4.0 2.2 1.0
assign (resid   52 and  name HA  )(resid   52 and  name HG  ) 4.0 2.2 1.0
assign (resid   52 and  name HA  )(resid   52 and  name HD1#) 4.0 2.2 1.0
assign (resid   52 and  name HA  )(resid   52 and  name HD2#) 4.0 2.2 1.0
assign (resid   52 and  name HB# )(resid   52 and  name HD1#) 4.0 2.2 1.0
assign (resid   52 and  name HB# )(resid   52 and  name HD2#) 4.0 2.2 1.0
assign (resid   52 and  name HN  )(resid   51 and  name HA  ) 2.5 0.7 0.2
assign (resid   52 and  name HN  )(resid   51 and  name HN  ) 3.0 1.2 1.0
assign (resid   52 and  name HN  )(resid   51 and  name HB# ) 4.0 2.2 1.0
assign (resid   52 and  name HN  )(resid    4 and  name HA  ) 3.0 1.2 1.0
assign (resid   52 and  name HA  )(resid   32 and  name HA  ) 2.5 0.7 0.2
assign (resid   52 and  name HA  )(resid   32 and  name HB# ) 4.0 2.2 1.0
assign (resid   52 and  name HN  )(resid    2 and  name HG* ) 4.0 2.2 1.0
assign (resid   52 and  name HG  )(resid   56 and  name HG* ) 4.0 2.2 1.0
!! PRO 53
assign (resid   53 and  name HD1 )(resid   52 and  name HA  ) 3.0 1.2 0.3
assign (resid   53 and  name HD2 )(resid   52 and  name HA  ) 3.0 1.2 0.3
assign (resid   53 and  name HD1 )(resid   52 and  name HG  ) 4.0 2.2 1.0
assign (resid   53 and  name HD2 )(resid   52 and  name HG  ) 4.0 2.2 1.0
assign (resid   53 and  name HD1 )(resid   52 and  name HD1#) 4.0 2.2 1.0
assign (resid   53 and  name HD2 )(resid   52 and  name HD2#) 4.0 2.2 1.0
assign (resid   53 and  name HD1 )(resid   52 and  name HD2#) 4.0 2.2 1.0
assign (resid   53 and  name HD2 )(resid   52 and  name HD1#) 4.0 2.2 1.0
assign (resid   53 and  name HA  )(resid    2 and  name HG* ) 4.0 2.2 1.0
assign (resid   53 and  name HB1 )(resid    2 and  name HG* ) 4.0 2.2 1.0
assign (resid   53 and  name HB2 )(resid    2 and  name HG* ) 4.0 2.2 1.0
assign (resid   53 and  name HD# )(resid   51 and  name HB# ) 4.0 2.2 1.0
assign (resid   53 and  name HD# )(resid   56 and  name HG2#) 4.0 2.2 1.0
assign (resid   53 and  name HB# )(resid   56 and  name HG2#) 4.0 2.2 1.0
assign (resid   53 and  name HA  )(resid   56 and  name HG2#) 4.0 2.2 1.0
!! ASP 54
assign (resid   54 and  name HN  )(resid   54 and  name HA  ) 3.0 1.2 0.3
assign (resid   54 and  name HN  )(resid   54 and  name HB1 ) 3.0 1.2 0.3
assign (resid   54 and  name HN  )(resid   54 and  name HB2 ) 3.0 1.2 0.3
assign (resid   54 and  name HA  )(resid   54 and  name HB1 ) 3.0 1.2 0.3 
assign (resid   54 and  name HA  )(resid   54 and  name HB2 ) 3.0 1.2 0.3
assign (resid   54 and  name HN  )(resid   53 and  name HA  ) 3.0 1.2 0.3
assign (resid   54 and  name HN  )(resid    2 and  name HA  ) 4.0 2.2 1.0
!! ASN 55
assign (resid   55 and  name HN  )(resid   55 and  name HA  ) 3.0 1.2 0.3
assign (resid   55 and  name HN  )(resid   55 and  name HB# ) 3.0 1.2 0.3
assign (resid   55 and  name HB# )(resid   55 and  name HD2#) 3.0 2.4 1.5
assign (resid   55 and  name HN  )(resid   55 and  name HD21) 4.0 2.2 1.0
assign (resid   55 and  name HN  )(resid   55 and  name HD22) 4.0 2.2 1.0
assign (resid   55 and  name HN  )(resid   54 and  name HA  ) 3.0 1.2 0.3
assign (resid   55 and  name HN  )(resid   54 and  name HN  ) 3.0 1.2 1.0
assign (resid   55 and  name HD21)(resid   56 and  name HG2#) 4.0 2.2 1.0
assign (resid   55 and  name HD22)(resid   56 and  name HG2#) 4.0 2.2 1.0
assign (resid   55 and  name HN  )(resid   56 and  name HG2#) 4.0 2.2 1.0
assign (resid   55 and  name HN  )(resid   53 and  name HB# ) 3.0 1.2 0.3
assign (resid   55 and  name HN  )(resid   53 and  name HG# ) 4.0 2.2 1.0
!! VAL 56
assign (resid   56 and  name HN  )(resid   56 and  name HA  ) 3.0 1.2 0.3
assign (resid   56 and  name HN  )(resid   56 and  name HB  ) 2.5 0.7 0.2
assign (resid   56 and  name HN  )(resid   56 and  name HG* ) 3.0 1.2 0.3
assign (resid   56 and  name HA  )(resid   56 and  name HG* ) 3.0 1.2 0.3
assign (resid   56 and  name HN  )(resid   55 and  name HA  ) 3.0 1.2 0.3
assign (resid   56 and  name HN  )(resid   55 and  name HN  ) 3.0 1.2 0.3
assign (resid   56 and  name HN  )(resid   57 and  name HD# ) 4.0 2.2 1.0
assign (resid   56 and  name HN  )(resid   54 and  name HA  ) 3.0 1.2 1.0
assign (resid   56 and  name HB  )(resid   52 and  name HD1#) 4.0 2.2 1.0
assign (resid   56 and  name HB  )(resid   52 and  name HD2#) 4.0 2.2 1.0
assign (resid   56 and  name HB  )(resid   52 and  name HG  ) 4.0 2.2 1.0
assign (resid   56 and  name HG* )(resid   52 and  name HD2#) 4.0 2.2 1.0
assign (resid   56 and  name HN  )(resid   52 and  name HG  ) 4.0 2.2 1.0
assign (resid   56 and  name HN  )(resid   53 and  name HB# ) 4.0 2.2 1.0
!! PRO 57
assign (resid   57 and  name HD1 )(resid   56 and  name HA  ) 2.5 0.7 0.2
assign (resid   57 and  name HD2 )(resid   56 and  name HA  ) 2.5 0.7 0.2
assign (resid   57 and  name HD1 )(resid   56 and  name HG1#) 4.0 2.2 1.0
assign (resid   57 and  name HD2 )(resid   56 and  name HG2#) 4.0 2.2 1.0
assign (resid   57 and  name HD1 )(resid   56 and  name HG2#) 4.0 2.2 1.0
assign (resid   57 and  name HD2 )(resid   56 and  name HG1#) 4.0 2.2 1.0
assign (resid   57 and  name HA  )(resid   56 and  name HG* ) 4.0 2.2 1.0
!! ILE 58
assign (resid   58 and  name HN  )(resid   58 and  name HA  ) 3.0 1.2 0.3
assign (resid   58 and  name HN  )(resid   58 and  name HD1#) 4.0 2.2 1.0
assign (resid   58 and  name HN  )(resid   58 and  name HG11) 4.0 2.2 1.0
assign (resid   58 and  name HN  )(resid   58 and  name HG12) 4.0 2.2 1.0
assign (resid   58 and  name HN  )(resid   58 and  name HG2#) 4.0 2.2 1.0
assign (resid   58 and  name HA  )(resid   58 and  name HB  ) 2.5 0.7 0.2
assign (resid   58 and  name HA  )(resid   58 and  name HG1#) 4.0 2.2 1.0
assign (resid   58 and  name HA  )(resid   58 and  name HG2#) 4.0 2.2 1.0
assign (resid   58 and  name HA  )(resid   58 and  name HD1#) 4.0 2.2 1.0
assign (resid   58 and  name HN  )(resid   57 and  name HA  ) 2.5 0.7 0.2
assign (resid   58 and  name HN  )(resid   57 and  name HB# ) 4.0 2.2 1.0
assign (resid   58 and  name HA  )(resid   52 and  name HD2#) 4.0 2.2 1.0
assign (resid   58 and  name HA  )(resid    7 and  name HA  ) 2.5 0.7 0.2
assign (resid   58 and  name HB  )(resid    5 and  name HB# ) 3.0 1.2 0.3
assign (resid   58 and  name HA  )(resid    5 and  name HB# ) 4.0 2.2 1.0
assign (resid   58 and  name HA  )(resid    8 and  name HB# ) 4.0 2.2 1.0
assign (resid   58 and  name HD1#)(resid    5 and  name HB# ) 4.0 2.2 1.0
assign (resid   58 and  name HG2#)(resid    5 and  name HB# ) 4.0 2.2 1.0
!! ARG 59
assign (resid   59 and  name HN  )(resid   59 and  name HA  ) 3.0 1.2 0.3
assign (resid   59 and  name HN  )(resid   59 and  name HB# ) 4.0 2.2 1.0
assign (resid   59 and  name HN  )(resid   59 and  name HG# ) 4.0 2.2 1.0
assign (resid   59 and  name HA  )(resid   59 and  name HG# ) 4.0 2.2 1.0
assign (resid   59 and  name HA  )(resid   59 and  name HD# ) 4.0 2.2 1.0
assign (resid   59 and  name HA  )(resid   59 and  name HE  ) 4.0 2.2 1.0
assign (resid   59 and  name HB1 )(resid   59 and  name HH* ) 4.0 2.2 1.0
assign (resid   59 and  name HB2 )(resid   59 and  name HH* ) 4.0 2.2 1.0
assign (resid   59 and  name HG# )(resid   59 and  name HH* ) 4.0 2.2 1.0
assign (resid   59 and  name HG# )(resid   59 and  name HE  ) 4.0 2.2 1.0
assign (resid   59 and  name HD1 )(resid   59 and  name HH* ) 4.0 2.2 1.0
assign (resid   59 and  name HD2 )(resid   59 and  name HH* ) 4.0 2.2 1.0
assign (resid   59 and  name HN  )(resid   58 and  name HA  ) 2.5 0.7 0.2
assign (resid   59 and  name HN  )(resid   58 and  name HG2#) 4.0 2.2 1.0
assign (resid   59 and  name HN  )(resid   58 and  name HD1#) 4.0 2.2 1.0
assign (resid   59 and  name HN  )(resid   14 and  name HG1#) 4.0 2.2 1.0
assign (resid   59 and  name HE  )(resid   14 and  name HG1#) 4.0 2.2 1.0
assign (resid   59 and  name HD1 )(resid   14 and  name HG1#) 4.0 2.2 1.0
assign (resid   59 and  name HD2 )(resid   14 and  name HG1#) 4.0 2.2 1.0
assign (resid   59 and  name HB1 )(resid   14 and  name HG1#) 4.0 2.2 1.0
assign (resid   59 and  name HB2 )(resid   14 and  name HG1#) 4.0 2.2 1.0
assign (resid   59 and  name HA  )(resid   14 and  name HG1#) 4.0 2.2 1.0
assign (resid   59 and  name HG# )(resid   14 and  name HG1#) 4.0 2.2 1.0
assign (resid   59 and  name HH* )(resid   14 and  name HG1#) 4.0 2.2 1.0
assign (resid   59 and  name HE  )(resid   64 and  name HB# ) 4.0 2.2 1.0
assign (resid   59 and  name HH* )(resid   64 and  name HB1 ) 3.0 1.2 0.3
assign (resid   59 and  name HH* )(resid   64 and  name HB2 ) 4.0 2.2 1.0
assign (resid   59 and  name HN  )(resid    6 and  name HB# ) 4.0 2.2 1.0
assign (resid   59 and  name HH* )(resid   63 and  name HA  ) 4.0 2.2 1.0
!! VAL 60  
assign (resid   60 and  name HN  )(resid   60 and  name HA  ) 3.0 1.2 0.3
assign (resid   60 and  name HN  )(resid   60 and  name HG1#) 3.0 1.2 0.3
assign (resid   60 and  name HN  )(resid   60 and  name HG2#) 3.0 1.2 0.3
assign (resid   60 and  name HA  )(resid   60 and  name HG1#) 4.0 2.2 1.0
assign (resid   60 and  name HA  )(resid   60 and  name HG2#) 4.0 2.2 1.0
assign (resid   60 and  name HA  )(resid   60 and  name HB  ) 2.5 0.7 0.2
assign (resid   60 and  name HN  )(resid   59 and  name HN  ) 4.0 2.2 1.0
assign (resid   60 and  name HN  )(resid   59 and  name HH* ) 4.0 2.2 1.0
assign (resid   60 and  name HN  )(resid   59 and  name HB# ) 4.0 2.2 1.0
assign (resid   60 and  name HN  )(resid   59 and  name HG# ) 4.0 2.2 1.0
assign (resid   60 and  name HN  )(resid   59 and  name HD# ) 4.0 2.2 1.0
assign (resid   60 and  name HN  )(resid   12 and  name HD21) 4.0 2.2 1.0
assign (resid   60 and  name HN  )(resid   12 and  name HD22) 4.0 2.2 1.0
assign (resid   60 and  name HA  )(resid   61 and  name HG1 ) 4.0 2.2 1.0
assign (resid   60 and  name HA  )(resid   61 and  name HG2 ) 4.0 2.2 1.0
!! PRO 61
assign (resid   61 and  name HD1 )(resid   60 and  name HA  ) 3.0 1.2 0.3
assign (resid   61 and  name HD2 )(resid   60 and  name HA  ) 3.0 1.2 0.3
assign (resid   61 and  name HD1 )(resid   60 and  name HG1#) 4.0 2.2 1.0
assign (resid   61 and  name HD2 )(resid   60 and  name HG2#) 4.0 2.2 1.0
assign (resid   61 and  name HD1 )(resid   60 and  name HG2#) 4.0 2.2 1.0
assign (resid   61 and  name HD2 )(resid   60 and  name HG1#) 4.0 2.2 1.0
!! GLY 62
assign (resid   62 and  name HN  )(resid   61 and  name HA  ) 2.5 0.7 0.2
assign (resid   62 and  name HN  )(resid   59 and  name HH* ) 4.0 2.2 1.0
!! LYS 63
assign (resid   63 and  name HN  )(resid   63 and  name HA  ) 3.0 1.2 0.3
assign (resid   63 and  name HN  )(resid   63 and  name HB# ) 2.5 0.7 0.2
assign (resid   63 and  name HA  )(resid   63 and  name HG# ) 4.0 2.2 1.0
assign (resid   63 and  name HN  )(resid   62 and  name HA# ) 4.0 2.2 1.0
assign (resid   63 and  name HN  )(resid   12 and  name HD22) 4.0 2.2 1.0
assign (resid   63 and  name HN  )(resid   12 and  name HD21) 4.0 2.2 1.0
!! CYS 64
assign (resid   64 and  name HN  )(resid   64 and  name HA  ) 3.0 1.2 0.3
assign (resid   64 and  name HN  )(resid   64 and  name HB# ) 3.0 1.2 0.3
assign (resid   64 and  name HA  )(resid   64 and  name HB# ) 2.5 0.7 0.2
assign (resid   64 and  name HN  )(resid   63 and  name HA  ) 2.5 0.7 0.2
assign (resid   64 and  name HN  )(resid   63 and  name HB# ) 4.0 2.2 1.0
assign (resid   64 and  name HN  )(resid   63 and  name HG# ) 4.0 2.2 1.0
assign (resid   64 and  name HA  )(resid   13 and  name HA  ) 4.0 2.2 1.0
assign (resid   64 and  name HA  )(resid   12 and  name HB1 ) 4.0 2.2 1.0
assign (resid   64 and  name HA  )(resid   12 and  name HB2 ) 4.0 2.2 1.0
assign (resid   64 and  name HN  )(resid   59 and  name HH* ) 4.0 2.2 1.0
!! ARG 65
assign (resid   65 and  name HN  )(resid   65 and  name HA  ) 3.0 1.2 0.3
assign (resid   65 and  name HN  )(resid   65 and  name HB# ) 3.0 1.2 0.3
assign (resid   65 and  name HN  )(resid   65 and  name HG# ) 4.0 2.2 1.0
assign (resid   65 and  name HN  )(resid   65 and  name HD# ) 4.0 2.2 1.0
assign (resid   65 and  name HA  )(resid   65 and  name HB# ) 3.0 1.2 0.3
assign (resid   65 and  name HA  )(resid   65 and  name HG# ) 4.0 2.2 1.0
assign (resid   65 and  name HN  )(resid   64 and  name HA  ) 2.5 0.7 0.2
assign (resid   65 and  name HN  )(resid   64 and  name HB# ) 3.0 1.2 0.3
assign (resid   65 and  name HN  )(resid   64 and  name HN  ) 4.0 2.2 1.0
assign (resid   65 and  name HN  )(resid   11 and  name HN  ) 3.0 1.2 1.0
assign (resid   65 and  name HN  )(resid   11 and  name HB# ) 3.0 1.2 1.0
assign (resid   65 and  name HN  )(resid   11 and  name HD# ) 4.0 2.2 1.0
assign (resid   65 and  name HN  )(resid   12 and  name HB1 ) 4.0 2.2 1.0
assign (resid   65 and  name HN  )(resid   12 and  name HB2 ) 4.0 2.2 1.0
assign (resid   65 and  name HD# )(resid   10 and  name HB# ) 3.0 1.2 0.3

!! disulfide bridges
assign (resid   13 and  name SG  )(resid   64 and  name SG  ) 2.0 0.1 0.1 
assign (resid   17 and  name SG  )(resid   37 and  name SG  ) 2.0 0.1 0.1 
assign (resid   23 and  name SG  )(resid   47 and  name SG  ) 2.0 0.1 0.1
assign (resid   27 and  name SG  )(resid   49 and  name SG  ) 2.0 0.1 0.1
assign (resid   13 and  name CB  )(resid   64 and  name SG  ) 3.0 0.1 0.1 
assign (resid   13 and  name SG  )(resid   64 and  name CB  ) 3.0 0.1 0.1 
assign (resid   17 and  name CB  )(resid   37 and  name SG  ) 3.0 0.1 0.1
assign (resid   17 and  name SG  )(resid   37 and  name CB  ) 3.0 0.1 0.1
assign (resid   23 and  name CB  )(resid   47 and  name SG  ) 3.0 0.1 0.1 
assign (resid   23 and  name SG  )(resid   47 and  name CB  ) 3.0 0.1 0.1
assign (resid   27 and  name CB  )(resid   49 and  name SG  ) 3.0 0.1 0.1
assign (resid   27 and  name SG  )(resid   49 and  name CB  ) 3.0 0.1 0.1

!! H-bonds
!! beta sheet
assign (resid    3 and  name HN  )(resid   52 and  name O   ) 2.1 0.6 0.2
assign (resid    3 and  name  N  )(resid   52 and  name O   ) 3.1 0.6 0.2
assign (resid   52 and  name HN  )(resid    3 and  name O   ) 2.1 0.6 0.2
assign (resid   52 and  name  N  )(resid    3 and  name O   ) 3.1 0.6 0.2
assign (resid    5 and  name HN  )(resid   49 and  name O   ) 2.1 0.6 0.2
assign (resid    5 and  name  N  )(resid   49 and  name O   ) 3.1 0.6 0.2
assign (resid   49 and  name HN  )(resid    5 and  name O   ) 2.1 0.6 0.2
assign (resid   49 and  name  N  )(resid    5 and  name O   ) 3.1 0.6 0.2
assign (resid   50 and  name HN  )(resid   34 and  name O   ) 2.1 0.6 0.2
assign (resid   50 and  name  N  )(resid   34 and  name O   ) 3.1 0.6 0.2
assign (resid   38 and  name HN  )(resid   46 and  name O   ) 2.1 0.6 0.2
assign (resid   38 and  name  N  )(resid   46 and  name O   ) 3.1 0.6 0.2
assign (resid   46 and  name HN  )(resid   38 and  name O   ) 2.1 0.6 0.2
assign (resid   46 and  name  N  )(resid   38 and  name O   ) 3.1 0.6 0.2
assign (resid   36 and  name HN  )(resid   48 and  name O   ) 2.1 0.6 0.2
assign (resid   36 and  name  N  )(resid   48 and  name O   ) 3.1 0.6 0.2
assign (resid   48 and  name HN  )(resid   36 and  name O   ) 2.1 0.6 0.2
assign (resid   48 and  name  N  )(resid   36 and  name O   ) 3.1 0.6 0.2
assign (resid   40 and  name HN  )(resid   44 and  name O   ) 2.1 0.6 0.2
assign (resid   40 and  name  N  )(resid   44 and  name O   ) 3.1 0.6 0.2
!! alpha helix and posthelical turn
assign (resid   24 and  name HN  )(resid   20 and  name O   ) 2.1 0.6 0.2
assign (resid   24 and  name  N  )(resid   20 and  name O   ) 3.1 0.6 0.2
assign (resid   25 and  name HN  )(resid   21 and  name O   ) 2.1 0.6 0.2
assign (resid   25 and  name  N  )(resid   21 and  name O   ) 3.1 0.6 0.2 
assign (resid   26 and  name HN  )(resid   22 and  name O   ) 2.1 0.6 0.2
assign (resid   26 and  name  N  )(resid   22 and  name O   ) 3.1 0.6 0.2
assign (resid   27 and  name HN  )(resid   23 and  name O   ) 2.1 0.6 0.2
assign (resid   27 and  name  N  )(resid   23 and  name O   ) 3.1 0.6 0.2
assign (resid   28 and  name HN  )(resid   24 and  name O   ) 2.1 0.6 0.2
assign (resid   28 and  name  N  )(resid   24 and  name O   ) 3.1 0.6 0.2
assign (resid   29 and  name HN  )(resid   25 and  name O   ) 2.1 0.6 0.2
assign (resid   29 and  name  N  )(resid   25 and  name O   ) 3.1 0.6 0.2
assign (resid   30 and  name HN  )(resid   26 and  name O   ) 2.1 0.6 0.2
assign (resid   30 and  name  N  )(resid   26 and  name O   ) 3.1 0.6 0.2
assign (resid   31 and  name HN  )(resid   28 and  name O   ) 2.1 0.6 0.2
assign (resid   31 and  name  N  )(resid   28 and  name O   ) 3.1 0.6 0.2
assign (resid   32 and  name HN  )(resid   27 and  name O   ) 2.1 0.6 0.2
assign (resid   32 and  name  N  )(resid   27 and  name O   ) 3.1 0.6 0.2
assign (resid   33 and  name HN  )(resid   50 and  name O   ) 2.1 0.6 0.2
assign (resid   33 and  name  N  )(resid   50 and  name O   ) 3.1 0.6 0.2
!! turn 56-53
assign (resid   56 and  name HN  )(resid   53 and  name O   ) 2.1 0.6 0.2
assign (resid   56 and  name  N  )(resid   53 and  name O   ) 3.1 0.6 0.2
!! turn 44-41
assign (resid   44 and  name HN  )(resid   41 and  name O   ) 2.1 0.6 0.2
assign (resid   44 and  name  N  )(resid   41 and  name O   ) 3.1 0.6 0.2
!! turn 13-9
assign (resid    9 and  name HN  )(resid   13 and  name O   ) 2.1 0.6 0.2
assign (resid    9 and  name  N  )(resid   13 and  name O   ) 3.1 0.6 0.2
!! long-range backbone hydrogen bonds
assign (resid    8 and  name HN  )(resid   57 and  name O   ) 2.1 0.6 0.2
assign (resid    8 and  name  N  )(resid   57 and  name O   ) 3.1 0.6 0.2
assign (resid   59 and  name HN  )(resid    6 and  name O   ) 2.1 0.6 0.2
assign (resid   59 and  name  N  )(resid    6 and  name O   ) 3.1 0.6 0.2
assign (resid   65 and  name HN  )(resid   11 and  name O   ) 2.1 0.6 0.2
assign (resid   65 and  name  N  )(resid   11 and  name O   ) 3.1 0.6 0.2
!! long-range sidechain hydrogen bonds
assign (resid   60 and  name HN  )(resid   12 and  name OD1 ) 2.1 0.6 0.2
assign (resid   60 and  name  N  )(resid   12 and  name OD1 ) 3.1 0.6 0.2
assign (resid   12 and  name HD22 )(resid  60 and  name O   ) 2.1 0.6 0.2
assign (resid   12 and  name ND2  )(resid  60 and  name O   ) 3.1 0.6 0.2
assign (resid   12 and  name HD21 )(resid  63 and  name O   ) 2.1 0.6 0.2
assign (resid   12 and  name ND2  )(resid  63 and  name O   ) 3.1 0.6 0.2
assign (resid   59 and  name HE  )(resid   12 and  name O   ) 2.1 0.6 0.2
assign (resid   59 and  name NE  )(resid   12 and  name O   ) 3.1 0.6 0.2
assign (resid   51 and  name HN  )(resid    4 and  name OD1 ) 2.1 0.6 0.2
assign (resid   51 and  name  N  )(resid    4 and  name OD1 ) 3.1 0.6 0.2
assign (resid   37 and  name HN  )(resid   20 and  name OD1 ) 2.1 0.6 0.2
assign (resid   37 and  name  N  )(resid   20 and  name OD1 ) 3.1 0.6 0.2
assign (resid   30 and  name HD21 )(resid   26 and  name O  ) 2.1 0.6 0.2
assign (resid   30 and  name ND2  )(resid   26 and  name O  ) 3.1 0.6 0.2
assign (resid    3 and  name HE  )(resid   56 and  name  O  ) 2.1 0.6 0.2
assign (resid    3 and  name NE  )(resid   56 and  name  O  ) 3.1 0.6 0.2
assign (resid    2 and  name HN  )(resid   54 and  name OD1 ) 2.1 0.6 0.2
assign (resid    2 and  name  N  )(resid   54 and  name OD1 ) 3.1 0.6 0.2









!! Dihedral angle constraints

!! M1, G*, N10, N12, A40, A51 not constrained.
!! N30, A32, S34, W39, C47, L52, K63 constrained to -180 - -40 degrees.
!! Total number of phi constraints - 52.
!!
!! Phi angle restraints:
  !!    V2
 assign (resid   1 and name c )    (resid   2 and name n ) 
        (resid   2 and name ca)    (resid   2 and name c )  1.0 -120.0 30.0 2
  !!    R3 
 assign (resid   2 and name c )    (resid   3 and name n ) 
        (resid   3 and name ca)    (resid   3 and name c )  1.0 -120.0 40.0 2
  !!    D4
 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 40.0 2
  !!    A5 
 assign (resid   4 and name c )    (resid   5 and name n ) 
        (resid   5 and name ca)    (resid   5 and name c )  1.0 -120.0 50.0 2
  !!    Y6 
 assign (resid   5 and name c )    (resid   6 and name n ) 
        (resid   6 and name ca)    (resid   6 and name c )  1.0 -120.0 40.0 2
  !!    I7 
 assign (resid   6 and name c )    (resid   7 and name n ) 
        (resid   7 and name ca)    (resid   7 and name c )  1.0 -60.0 20.0 2
  !!    A8 
 assign (resid   7 and name c )    (resid   8 and name n ) 
        (resid   8 and name ca)    (resid   8 and name c )  1.0 -120.0 40.0 2
  !!    K9
 assign (resid   8 and name c )    (resid   9 and name n ) 
        (resid   9 and name ca)    (resid   9 and name c )  1.0 -120.0 30.0 2
  !!    Y11 
 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 20.0 2
  !!    C13 
 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
  !!    V14 
 assign (resid   13 and name c )   (resid   14 and name n ) 
        (resid   14 and name ca)   (resid   14 and name c )  1.0 -120.0 50.0 2
  !!    Y15 
 assign (resid   14 and name c )   (resid   15 and name n ) 
        (resid   15 and name ca)   (resid   15 and name c )  1.0 -120.0 40.0 2
  !!    E16 
 assign (resid   15 and name c )   (resid   16 and name n ) 
        (resid   16 and name ca)   (resid   16 and name c )  1.0 -60.0 20.0 2  
 !!     C17 
 assign (resid   16 and name c )   (resid   17 and name n ) 
        (resid   17 and name ca)   (resid   17 and name c )  1.0 -120.0 40.0 2
  !!    F18
 assign (resid   17 and name c )   (resid   18 and name n ) 
        (resid   18 and name ca)   (resid   18 and name c )  1.0 -120.0 40.0 2
  !!    R19 
 assign (resid   18 and name c )   (resid   19 and name n ) 
        (resid   19 and name ca)   (resid   19 and name c )  1.0 -120.0 50.0 2
  !!    D20 
 assign (resid   19 and name c )   (resid   20 and name n ) 
        (resid   20 and name ca)   (resid   20 and name c )  1.0 -60.0 20.0 2
  !!    A21 
 assign (resid   20 and name c )   (resid   21 and name n ) 
        (resid   21 and name ca)   (resid   21 and name c )  1.0 -60.0 20.0 2
  !!    Y22
 assign (resid   21 and name c )   (resid   22 and name n ) 
        (resid   22 and name ca)   (resid   22 and name c )  1.0 -60.0 20.0 2
  !!    C23 
 assign (resid   22 and name c )   (resid   23 and name n ) 
        (resid   23 and name ca)   (resid   23 and name c )  1.0 -60.0 20.0 2
  !!    N24 
 assign (resid   23 and name c )   (resid   24 and name n ) 
        (resid   24 and name ca)   (resid   24 and name c )  1.0 -60.0 20.0 2
  !!    E25 
 assign (resid   24 and name c )   (resid   25 and name n ) 
        (resid   25 and name ca)   (resid   25 and name c )  1.0 -60.0 20.0 2
  !!    L26 
 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 20.0 2
  !!    C27 
 assign (resid   26 and name c )   (resid   27 and name n ) 
        (resid   27 and name ca)   (resid   27 and name c )  1.0 -60.0 20.0 2
  !!    T28 
 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 20.0 2
  !!    K29
 assign (resid   28 and name c )   (resid   29 and name n ) 
        (resid   29 and name ca)   (resid   29 and name c )  1.0 -60.0 20.0 2
 !!     N30 
 assign (resid   29 and name c )   (resid   30 and name n ) 
        (resid   30 and name ca)   (resid   30 and name c )  1.0 -110.0 70.0 2 
  !!    A32
 assign (resid   31 and name c )   (resid   32 and name n ) 
        (resid   32 and name ca)   (resid   32 and name c )  1.0 -120.0 60.0 2
  !!    S33 
 assign (resid   32 and name c )   (resid   33 and name n ) 
        (resid   33 and name ca)   (resid   33 and name c )  1.0 -120.0 50.0 2
 !!     S34 
 assign (resid   33 and name c )   (resid   34 and name n ) 
        (resid   34 and name ca)   (resid   34 and name c )  1.0 -110.0 70.0 2
  !!    Y36 
 assign (resid   35 and name c )   (resid   36 and name n ) 
        (resid   36 and name ca)   (resid   36 and name c )  1.0 -120.0 50.0 2
  !!    C37
 assign (resid   36 and name c )   (resid   37 and name n ) 
        (resid   37 and name ca)   (resid   37 and name c )  1.0 -120.0 50.0 2
  !!    Q38
 assign (resid   37 and name c )   (resid   38 and name n ) 
        (resid   38 and name ca)   (resid   38 and name c )  1.0 -120.0 50.0 2
  !!    W39 
 assign (resid   38 and name c )   (resid   39 and name n ) 
        (resid   39 and name ca)   (resid   39 and name c )  1.0 -120.0 60.0 2
  !!    K42 
 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 20.0 2
  !!    Y43 
 assign (resid   42 and name c )   (resid   43 and name n ) 
        (resid   43 and name ca)   (resid   43 and name c )  1.0 -120.0 40.0 2
  !!    N45 
 assign (resid   44 and name c )   (resid   45 and name n ) 
        (resid   45 and name ca)   (resid   45 and name c )  1.0 -120.0 50.0 2
  !!    A46 
 assign (resid   45 and name c )   (resid   46 and name n ) 
        (resid   46 and name ca)   (resid   46 and name c )  1.0 -120.0 40.0 2
  !!    C47 
 assign (resid   46 and name c )   (resid   47 and name n ) 
        (resid   47 and name ca)   (resid   47 and name c )  1.0 -110.0 70.0 2
  !!    W48
 assign (resid   47 and name c )   (resid   48 and name n ) 
        (resid   48 and name ca)   (resid   48 and name c )  1.0 -120.0 30.0 2
  !!    C49 
 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
  !!    Y50
 assign (resid   49 and name c )   (resid   50 and name n ) 
        (resid   50 and name ca)   (resid   50 and name c )  1.0 -120.0 30.0 2
  !!    L52
 assign (resid   51 and name c )   (resid   52 and name n ) 
        (resid   52 and name ca)   (resid   52 and name c )  1.0 -110.0 70.0 2 
  !!    D54 
 assign (resid   53 and name c )   (resid   54 and name n ) 
        (resid   54 and name ca)   (resid   54 and name c )  1.0 -60.0 20.0 2
  !!    N55 
 assign (resid   54 and name c )   (resid   55 and name n ) 
        (resid   55 and name ca)   (resid   55 and name c )  1.0 -120.0 50.0 2
  !!    V56 
 assign (resid   55 and name c )   (resid   56 and name n ) 
        (resid   56 and name ca)   (resid   56 and name c )  1.0 -120.0 50.0 2
  !!    I58
 assign (resid   57 and name c )   (resid   58 and name n ) 
        (resid   58 and name ca)   (resid   58 and name c )  1.0 -120.0 20.0 2
  !!    R59 
 assign (resid   58 and name c )   (resid   59 and name n ) 
        (resid   59 and name ca)   (resid   59 and name c )  1.0 -60.0 20.0 2
  !!    V60 
 assign (resid   59 and name c )   (resid   60 and name n ) 
        (resid   60 and name ca)   (resid   60 and name c )  1.0 -120.0 30.0 2
 !!     K63 
 assign (resid   62 and name c )   (resid   63 and name n ) 
        (resid   63 and name ca)   (resid   63 and name c )  1.0 -110.0 70.0 2
  !!    C64 
 assign (resid   63 and name c )   (resid   64 and name n ) 
        (resid   64 and name ca)   (resid   64 and name c )  1.0 -120.0 40.0 2
  !!    R65
 assign (resid   64 and name c )   (resid   65 and name n ) 
        (resid   65 and name ca)   (resid   65 and name c )  1.0 -120.0 30.0 2




!! Chi1 angle restraints
!! 21 chi1 and chi2 restraints
 
!! VAL 2, methyls unresolved    
 assign (resid   2 and name n )   (resid   2 and name ca)
        (resid   2 and name cb)   (resid   2 and name cg1)   1.0  -60. 60.0 2
!! ASP 4, HB2 downfield     
 assign (resid   4 and name n )   (resid   4 and name ca)
        (resid   4 and name cb)   (resid   4 and name cg)    1.0  -60. 60.0 2
!! ILE 7  
 assign (resid   7 and name n )   (resid   7 and name ca)
        (resid   7 and name cb)   (resid   7 and name cg1)   1.0  180. 60.0 2
!! ASN 12, HB1 downfield
 assign (resid   12 and name n )   (resid  12 and name ca)
        (resid   12 and name cb)   (resid  12 and name cg)   1.0  180. 60.0 2
!! CYS 13, HB1 downfield
 assign (resid   13 and name n )   (resid  13 and name ca)
        (resid   13 and name cb)   (resid  13 and name sg)   1.0  -60. 60.0 2
!! VAL 14, MG2 downfield
 assign (resid   14 and name n )   (resid  14 and name ca)
        (resid   14 and name cb)   (resid  14 and name cg1)  1.0  -60. 60.0 2
!! CYS 17, methylene protons unassigned
 assign (resid   17 and name n )   (resid  17 and name ca)
        (resid   17 and name cb)   (resid  17 and name sg)   1.0  +60. 60.0 2
!! PHE 18, HB2 downfield
 assign (resid   18 and name n )   (resid  18 and name ca)
        (resid   18 and name cb)   (resid  18 and name cg)   1.0  180. 60.0 2
!! TYR 22, HB2 downfield  
 assign (resid   22 and name n )   (resid  22 and name ca)
        (resid   22 and name cb)   (resid  22 and name cg)   1.0  180. 60.0 2
!! ASN 24, HB2 downfield  
 assign (resid   24 and name n )   (resid  24 and name ca)
        (resid   24 and name cb)   (resid  24 and name cg)   1.0  180. 60.0 2
!! LEU 26, HB1 downfield  
 assign (resid   26 and name n )   (resid  26 and name ca)
        (resid   26 and name cb)   (resid  26 and name cg)   1.0  180. 60.0 2
!! THR 28  
 assign (resid   28 and name n )   (resid  28 and name ca)
        (resid   28 and name cb)   (resid  28 and name og1)  1.0  +60. 60.0 2
!! TYR 36, methylene protons unassigned
 assign (resid   36 and name n )   (resid  36 and name ca)
        (resid   36 and name cb)   (resid  36 and name cg)   1.0  +60. 60.0 2
!! GLN 38, HB1 downfield
 assign (resid   38 and name n )   (resid  38 and name ca)
        (resid   38 and name cb)   (resid  38 and name cg)   1.0  180. 60.0 2
!! ASN 45, HB2 downfield 
 assign (resid   45 and name n )    (resid  45 and name ca)
        (resid   45 and name cb)    (resid  45 and name cg)  1.0  -60. 60.0 2
!! CYS 49, HB2 downfield 
 assign (resid   49 and name n )    (resid  49 and name ca)
        (resid   49 and name cb)    (resid  49 and name sg)  1.0  180. 60.0 2
!! ASN 55, methylene protons unassigned
 assign (resid   55 and name n )    (resid  55 and name ca)
        (resid   55 and name cb)    (resid  55 and name cg)  1.0  +60. 60.0 2
!! VAL 56, MG1 downfield 
 assign (resid   56 and name n )    (resid  56 and name ca)
        (resid   56 and name cb)    (resid  56 and name cg1) 1.0  180. 60.0 2
!! ILE 58 
 assign (resid   58 and name n )    (resid  58 and name ca)
        (resid   58 and name cb)    (resid  58 and name cg1) 1.0  +60. 60.0 2
!! VAL 60, MG1 downfield 
 assign (resid   60 and name n )    (resid  60 and name ca)
        (resid   60 and name cb)    (resid  60 and name cg1) 1.0  -60. 60.0 2



!! Chi2 angle constraints

!! LEU 26, MD1 downfield 
 assign (resid  26 and name ca )    (resid  26 and name cb)
        (resid  26 and name cg )    (resid  26 and name cd1) 1.0  +60. 60.0 2
 
end


  Entry H atom name         Submitted Coord H atom name
    1    HA   MET   1           HA       MET   1 -14.457   0.328   8.340
    2   1HB   MET   1          2HB       MET   1 -15.601   0.347   5.604
    3   2HB   MET   1          1HB       MET   1 -14.077  -0.514   5.793
    4   1HG   MET   1          2HG       MET   1 -15.159  -2.246   6.730
    5   2HG   MET   1          1HG       MET   1 -15.740  -1.185   8.014
    6   1HE   MET   1          3HE       MET   1 -17.632  -1.531   8.648
    7   2HE   MET   1          2HE       MET   1 -19.188  -1.467   7.824
    8   3HE   MET   1          1HE       MET   1 -18.276  -2.975   7.856
    9    QB   MET   1           QB       MET   1 -14.839  -0.084   5.698
   10    QG   MET   1           QG       MET   1 -15.450  -1.716   7.372
   11    QE   MET   1           QE       MET   1 -18.365  -1.991   8.109
   12    H    VAL   2           H        VAL   2 -12.282   0.615   8.573
   13    HA   VAL   2           HA       VAL   2 -10.690   1.927   6.457
   14    HB   VAL   2           HB       VAL   2  -9.796   3.525   8.294
   15   1HG1  VAL   2          3HG1      VAL   2 -11.593   3.838   6.308
   16   2HG1  VAL   2          2HG1      VAL   2 -12.628   4.209   7.687
   17   3HG1  VAL   2          1HG1      VAL   2 -11.159   5.145   7.410
   18   1HG2  VAL   2          3HG2      VAL   2 -11.556   2.037   9.861
   19   2HG2  VAL   2          2HG2      VAL   2 -10.832   3.582  10.307
   20   3HG2  VAL   2          1HG2      VAL   2 -12.432   3.539   9.566
   21    QG1  VAL   2           QG1      VAL   2 -11.793   4.397   7.135
   22    QG2  VAL   2           QG2      VAL   2 -11.607   3.053   9.911
   23    QQG  VAL   2           QQG      VAL   2 -11.700   3.725   8.523
   24    H    ARG   3           H        ARG   3  -8.365   1.649   6.811
   25    HA   ARG   3           HA       ARG   3  -7.404   0.154   9.133
   26   1HB   ARG   3          2HB       ARG   3  -6.844  -1.867   7.844
   27   2HB   ARG   3          1HB       ARG   3  -8.579  -1.561   7.773
   28   1HG   ARG   3          2HG       ARG   3  -7.492  -0.100   5.634
   29   2HG   ARG   3          1HG       ARG   3  -6.654  -1.652   5.605
   30   1HD   ARG   3          2HD       ARG   3  -9.424  -2.160   6.138
   31   2HD   ARG   3          1HD       ARG   3  -9.309  -1.102   4.718
   32    HE   ARG   3           HE       ARG   3  -7.991  -2.783   3.605
   33   1HH1  ARG   3          1HH1      ARG   3  -6.261  -3.850   5.671
   34   2HH1  ARG   3          2HH1      ARG   3  -6.955  -5.393   6.041
   35   1HH2  ARG   3          1HH2      ARG   3 -10.015  -4.665   4.582
   36   2HH2  ARG   3          2HH2      ARG   3  -9.080  -5.855   5.425
   37    QB   ARG   3           QB       ARG   3  -7.711  -1.714   7.808
   38    QG   ARG   3           QG       ARG   3  -7.073  -0.876   5.620
   39    QD   ARG   3           QD       ARG   3  -9.367  -1.631   5.428
   40    QH1  ARG   3           QH1      ARG   3  -6.608  -4.621   5.856
   41    QH2  ARG   3           QH2      ARG   3  -9.548  -5.260   5.004
   42    H    ASP   4           H        ASP   4  -5.278   0.789   9.401
   43    HA   ASP   4           HA       ASP   4  -3.894   2.107   7.122
   44   1HB   ASP   4          2HB       ASP   4  -2.725   1.793   9.869
   45   2HB   ASP   4          1HB       ASP   4  -2.580   3.142   8.757
   46    QB   ASP   4           QB       ASP   4  -2.653   2.467   9.313
   47    H    ALA   5           H        ALA   5  -2.846   0.675   5.793
   48    HA   ALA   5           HA       ALA   5  -0.954  -1.246   7.039
   49   1HB   ALA   5          2HB       ALA   5  -3.506  -2.025   6.599
   50   2HB   ALA   5          1HB       ALA   5  -2.787  -2.429   5.040
   51   3HB   ALA   5          3HB       ALA   5  -2.134  -3.129   6.521
   52    QB   ALA   5           QB       ALA   5  -2.809  -2.527   6.054
   53    H    TYR   6           H        TYR   6   0.134  -2.585   5.182
   54    HA   TYR   6           HA       TYR   6   1.145  -0.705   3.165
   55   1HB   TYR   6          2HB       TYR   6   1.649  -3.585   3.988
   56   2HB   TYR   6          1HB       TYR   6   2.403  -2.924   2.537
   57    HD1  TYR   6          2HD       TYR   6   2.034  -2.417   6.208
   58    HD2  TYR   6          1HD       TYR   6   4.329  -1.507   2.691
   59    HE1  TYR   6          2HE       TYR   6   3.725  -1.264   7.608
   60    HE2  TYR   6          1HE       TYR   6   5.998  -0.350   4.075
   61    HH   TYR   6           HH       TYR   6   5.474   0.654   7.156
   62    QB   TYR   6           QB       TYR   6   2.026  -3.254   3.262
   63    QD   TYR   6           QD       TYR   6   3.181  -1.962   4.449
   64    QE   TYR   6           QE       TYR   6   4.861  -0.807   5.842
   65    QR   TYR   6           QR       TYR   6   4.021  -1.384   5.145
   66    H    ILE   7           H        ILE   7  -0.616  -0.301   1.726
   67    HA   ILE   7           HA       ILE   7  -2.612  -1.916   0.761
   68    HB   ILE   7           HB       ILE   7  -2.180   0.435   0.118
   69   1HG1  ILE   7          2HG1      ILE   7  -2.267  -1.159  -2.433
   70   2HG1  ILE   7          1HG1      ILE   7  -3.583  -1.285  -1.267
   71   1HG2  ILE   7          2HG2      ILE   7   0.184  -0.844  -1.168
   72   2HG2  ILE   7          1HG2      ILE   7  -0.594   0.462  -2.062
   73   3HG2  ILE   7          3HG2      ILE   7   0.028   0.753  -0.437
   74   1HD1  ILE   7          1HD1      ILE   7  -2.573   1.372  -2.304
   75   2HD1  ILE   7          3HD1      ILE   7  -3.886   0.484  -3.078
   76   3HD1  ILE   7          2HD1      ILE   7  -4.065   1.054  -1.419
   77    QG1  ILE   7           QG1      ILE   7  -2.925  -1.222  -1.850
   78    QG2  ILE   7           QG2      ILE   7  -0.128   0.124  -1.222
   79    QD1  ILE   7           QD1      ILE   7  -3.508   0.970  -2.267
   80    H    ALA   8           H        ALA   8  -2.854  -3.584  -0.755
   81    HA   ALA   8           HA       ALA   8  -0.314  -4.933  -1.585
   82   1HB   ALA   8          3HB       ALA   8  -2.983  -5.726  -0.613
   83   2HB   ALA   8          2HB       ALA   8  -2.390  -6.706  -1.955
   84   3HB   ALA   8          1HB       ALA   8  -1.443  -6.573  -0.473
   85    QB   ALA   8           QB       ALA   8  -2.272  -6.335  -1.014
   86    H    LYS   9           H        LYS   9  -0.492  -6.122  -3.729
   87    HA   LYS   9           HA       LYS   9  -2.053  -4.490  -5.689
   88   1HB   LYS   9          2HB       LYS   9   0.548  -4.423  -5.508
   89   2HB   LYS   9          1HB       LYS   9   0.500  -6.036  -6.201
   90   1HG   LYS   9          2HG       LYS   9   0.789  -3.879  -7.730
   91   2HG   LYS   9          1HG       LYS   9  -0.126  -5.269  -8.292
   92   1HD   LYS   9          2HD       LYS   9  -2.191  -4.202  -7.936
   93   2HD   LYS   9          1HD       LYS   9  -1.501  -3.040  -6.804
   94   1HE   LYS   9          2HE       LYS   9  -1.018  -1.591  -8.482
   95   2HE   LYS   9          1HE       LYS   9  -0.230  -2.866  -9.432
   96   1HZ   LYS   9          3HZ       LYS   9  -2.668  -3.704  -9.690
   97   2HZ   LYS   9          2HZ       LYS   9  -3.063  -2.085  -9.365
   98   3HZ   LYS   9          1HZ       LYS   9  -2.087  -2.471 -10.700
   99    QB   LYS   9           QB       LYS   9   0.524  -5.229  -5.855
  100    QG   LYS   9           QG       LYS   9   0.332  -4.574  -8.011
  101    QD   LYS   9           QD       LYS   9  -1.846  -3.621  -7.370
  102    QE   LYS   9           QE       LYS   9  -0.624  -2.228  -8.957
  103    QZ   LYS   9           QZ       LYS   9  -2.606  -2.753  -9.918
  104    H    ASN  10           H        ASN  10  -1.768  -6.079  -7.901
  105    HA   ASN  10           HA       ASN  10  -3.792  -7.854  -8.048
  106   1HB   ASN  10          2HB       ASN  10  -1.024  -8.331  -9.203
  107   2HB   ASN  10          1HB       ASN  10  -2.551  -8.918  -9.864
  108   1HD2  ASN  10          2HD2      ASN  10  -1.704  -5.792 -11.702
  109   2HD2  ASN  10          1HD2      ASN  10  -1.006  -7.331 -11.537
  110    QB   ASN  10           QB       ASN  10  -1.788  -8.625  -9.534
  111    QD2  ASN  10           QD2      ASN  10  -1.355  -6.562 -11.620
  112    H    TYR  11           H        TYR  11  -0.610  -8.655  -6.611
  113    HA   TYR  11           HA       TYR  11  -1.924 -11.091  -5.492
  114   1HB   TYR  11          2HB       TYR  11   0.837 -11.086  -6.704
  115   2HB   TYR  11          1HB       TYR  11  -0.136 -12.481  -6.243
  116    HD1  TYR  11          1HD       TYR  11  -2.061 -13.188  -7.592
  117    HD2  TYR  11          2HD       TYR  11   0.366  -9.839  -8.747
  118    HE1  TYR  11          1HE       TYR  11  -3.087 -13.225  -9.849
  119    HE2  TYR  11          2HE       TYR  11  -0.660  -9.875 -11.004
  120    HH   TYR  11           HH       TYR  11  -2.977 -10.744 -11.955
  121    QB   TYR  11           QB       TYR  11   0.351 -11.784  -6.474
  122    QD   TYR  11           QD       TYR  11  -0.848 -11.513  -8.169
  123    QE   TYR  11           QE       TYR  11  -1.873 -11.550 -10.427
  124    QR   TYR  11           QR       TYR  11  -1.361 -11.532  -9.298
  125    H    ASN  12           H        ASN  12  -1.671  -9.089  -3.772
  126    HA   ASN  12           HA       ASN  12  -0.807  -8.697  -1.592
  127   1HB   ASN  12          2HB       ASN  12  -0.370 -11.307  -2.145
  128   2HB   ASN  12          1HB       ASN  12   1.291 -10.761  -1.908
  129   1HD2  ASN  12          2HD2      ASN  12   0.959 -10.467   1.567
  130   2HD2  ASN  12          1HD2      ASN  12   1.975 -10.424   0.208
  131    QB   ASN  12           QB       ASN  12   0.461 -11.034  -2.027
  132    QD2  ASN  12           QD2      ASN  12   1.467 -10.445   0.887
  133    H    CYS  13           H        CYS  13   0.775  -7.823  -4.306
  134    HA   CYS  13           HA       CYS  13   3.403  -7.263  -3.046
  135   1HB   CYS  13          2HB       CYS  13   2.264  -6.479  -5.749
  136   2HB   CYS  13          1HB       CYS  13   3.956  -6.401  -5.274
  137    QB   CYS  13           QB       CYS  13   3.110  -6.440  -5.511
  138    H    VAL  14           H        VAL  14   4.013  -5.195  -2.312
  139    HA   VAL  14           HA       VAL  14   1.877  -3.307  -1.741
  140    HB   VAL  14           HB       VAL  14   3.678  -2.069  -0.644
  141   1HG1  VAL  14          1HG1      VAL  14   2.835  -4.550   0.038
  142   2HG1  VAL  14          3HG1      VAL  14   4.565  -4.853  -0.122
  143   3HG1  VAL  14          2HG1      VAL  14   3.984  -3.626   1.005
  144   1HG2  VAL  14          2HG2      VAL  14   5.428  -3.888  -2.305
  145   2HG2  VAL  14          1HG2      VAL  14   5.461  -2.126  -2.210
  146   3HG2  VAL  14          3HG2      VAL  14   6.033  -3.093  -0.849
  147    QG1  VAL  14           QG1      VAL  14   3.795  -4.343   0.307
  148    QG2  VAL  14           QG2      VAL  14   5.641  -3.036  -1.788
  149    QQG  VAL  14           QQG      VAL  14   4.718  -3.690  -0.741
  150    H    TYR  15           H        TYR  15   1.991  -0.993  -2.401
  151    HA   TYR  15           HA       TYR  15   2.383  -0.740  -5.288
  152   1HB   TYR  15          2HB       TYR  15   1.296   0.850  -3.002
  153   2HB   TYR  15          1HB       TYR  15   1.740   1.728  -4.462
  154    HD1  TYR  15          2HD       TYR  15  -0.324  -1.093  -3.181
  155    HD2  TYR  15          1HD       TYR  15   0.395   1.632  -6.423
  156    HE1  TYR  15          2HE       TYR  15  -2.430  -1.817  -4.258
  157    HE2  TYR  15          1HE       TYR  15  -1.714   0.900  -7.504
  158    HH   TYR  15           HH       TYR  15  -4.112  -0.639  -5.990
  159    QB   TYR  15           QB       TYR  15   1.518   1.289  -3.732
  160    QD   TYR  15           QD       TYR  15   0.036   0.270  -4.802
  161    QE   TYR  15           QE       TYR  15  -2.072  -0.458  -5.881
  162    QR   TYR  15           QR       TYR  15  -1.018  -0.094  -5.341
  163    H    GLU  16           H        GLU  16   4.746  -0.999  -5.435
  164    HA   GLU  16           HA       GLU  16   6.737   0.397  -4.063
  165   1HB   GLU  16          2HB       GLU  16   6.556  -0.116  -7.050
  166   2HB   GLU  16          1HB       GLU  16   8.039   0.086  -6.117
  167   1HG   GLU  16          2HG       GLU  16   7.170  -1.898  -4.694
  168   2HG   GLU  16          1HG       GLU  16   6.067  -2.195  -6.038
  169    QB   GLU  16           QB       GLU  16   7.297  -0.015  -6.584
  170    QG   GLU  16           QG       GLU  16   6.618  -2.046  -5.366
  171    H    CYS  17           H        CYS  17   7.146   2.565  -3.826
  172    HA   CYS  17           HA       CYS  17   6.136   4.438  -5.944
  173   1HB   CYS  17          2HB       CYS  17   5.477   5.939  -4.082
  174   2HB   CYS  17          1HB       CYS  17   4.653   4.384  -3.972
  175    QB   CYS  17           QB       CYS  17   5.065   5.162  -4.027
  176    H    PHE  18           H        PHE  18   7.195   6.720  -5.483
  177    HA   PHE  18           HA       PHE  18  10.073   6.303  -4.735
  178   1HB   PHE  18          2HB       PHE  18   9.054   6.708  -7.244
  179   2HB   PHE  18          1HB       PHE  18   9.400   8.363  -6.746
  180    HD1  PHE  18          1HD       PHE  18  11.690   7.457  -4.797
  181    HD2  PHE  18          2HD       PHE  18  10.831   6.697  -8.932
  182    HE1  PHE  18          1HE       PHE  18  14.106   7.088  -5.228
  183    HE2  PHE  18          2HE       PHE  18  13.246   6.325  -9.367
  184    HZ   PHE  18           HZ       PHE  18  14.883   6.521  -7.515
  185    QB   PHE  18           QB       PHE  18   9.227   7.535  -6.995
  186    QD   PHE  18           QD       PHE  18  11.260   7.077  -6.864
  187    QE   PHE  18           QE       PHE  18  13.676   6.706  -7.298
  188    QR   PHE  18           QR       PHE  18  12.951   6.818  -7.168
  189    H    ARG  19           H        ARG  19   7.214   8.261  -4.417
  190    HA   ARG  19           HA       ARG  19   8.673  10.042  -2.532
  191   1HB   ARG  19          2HB       ARG  19   7.054  10.880  -4.956
  192   2HB   ARG  19          1HB       ARG  19   7.519  11.996  -3.671
  193   1HG   ARG  19          2HG       ARG  19   9.932  11.132  -4.088
  194   2HG   ARG  19          1HG       ARG  19   9.293  10.526  -5.615
  195   1HD   ARG  19          2HD       ARG  19   8.321  12.976  -5.845
  196   2HD   ARG  19          1HD       ARG  19   9.622  13.368  -4.703
  197    HE   ARG  19           HE       ARG  19  10.958  11.822  -6.491
  198   1HH1  ARG  19          1HH1      ARG  19   9.826  14.960  -6.420
  199   2HH1  ARG  19          2HH1      ARG  19  10.002  15.259  -8.118
  200   1HH2  ARG  19          1HH2      ARG  19  10.713  11.957  -8.897
  201   2HH2  ARG  19          2HH2      ARG  19  10.505  13.560  -9.519
  202    QB   ARG  19           QB       ARG  19   7.286  11.438  -4.314
  203    QG   ARG  19           QG       ARG  19   9.612  10.829  -4.852
  204    QD   ARG  19           QD       ARG  19   8.971  13.172  -5.274
  205    QH1  ARG  19           QH1      ARG  19   9.914  15.109  -7.269
  206    QH2  ARG  19           QH2      ARG  19  10.609  12.758  -9.208
  207    H    ASP  20           H        ASP  20   7.242  10.993  -0.950
  208    HA   ASP  20           HA       ASP  20   5.049   9.440  -0.076
  209   1HB   ASP  20          2HB       ASP  20   6.413  11.907   0.564
  210   2HB   ASP  20          1HB       ASP  20   4.674  12.116   0.773
  211    QB   ASP  20           QB       ASP  20   5.543  12.012   0.668
  212    H    ALA  21           H        ALA  21   5.190  11.979  -2.479
  213    HA   ALA  21           HA       ALA  21   2.478  12.817  -2.549
  214   1HB   ALA  21          1HB       ALA  21   4.891  12.895  -4.179
  215   2HB   ALA  21          3HB       ALA  21   3.444  12.772  -5.181
  216   3HB   ALA  21          2HB       ALA  21   3.612  14.100  -4.031
  217    QB   ALA  21           QB       ALA  21   3.982  13.256  -4.463
  218    H    TYR  22           H        TYR  22   4.076  10.214  -4.436
  219    HA   TYR  22           HA       TYR  22   1.976   9.250  -5.963
  220   1HB   TYR  22          2HB       TYR  22   4.366   8.416  -5.740
  221   2HB   TYR  22          1HB       TYR  22   3.843   7.516  -4.323
  222    HD1  TYR  22          1HD       TYR  22   3.320   7.934  -7.977
  223    HD2  TYR  22          2HD       TYR  22   2.568   5.497  -4.518
  224    HE1  TYR  22          1HE       TYR  22   2.450   6.127  -9.437
  225    HE2  TYR  22          2HE       TYR  22   1.699   3.692  -5.978
  226    HH   TYR  22           HH       TYR  22   1.532   4.112  -9.518
  227    QB   TYR  22           QB       TYR  22   4.105   7.966  -5.032
  228    QD   TYR  22           QD       TYR  22   2.944   6.716  -6.247
  229    QE   TYR  22           QE       TYR  22   2.074   4.910  -7.708
  230    QR   TYR  22           QR       TYR  22   2.509   5.813  -6.977
  231    H    CYS  23           H        CYS  23   2.767   7.781  -2.813
  232    HA   CYS  23           HA       CYS  23   0.520   6.243  -2.383
  233   1HB   CYS  23          2HB       CYS  23   2.651   7.364  -0.886
  234   2HB   CYS  23          1HB       CYS  23   1.177   7.635   0.045
  235    QB   CYS  23           QB       CYS  23   1.914   7.500  -0.421
  236    H    ASN  24           H        ASN  24   0.784   9.684  -1.367
  237    HA   ASN  24           HA       ASN  24  -1.711  10.132  -0.264
  238   1HB   ASN  24          2HB       ASN  24   0.207  11.742  -0.706
  239   2HB   ASN  24          1HB       ASN  24  -0.412  11.912  -2.348
  240   1HD2  ASN  24          2HD2      ASN  24  -3.469  13.547  -1.197
  241   2HD2  ASN  24          1HD2      ASN  24  -2.982  12.361  -2.308
  242    QB   ASN  24           QB       ASN  24  -0.103  11.827  -1.527
  243    QD2  ASN  24           QD2      ASN  24  -3.225  12.954  -1.753
  244    H    GLU  25           H        GLU  25  -0.961  10.093  -3.757
  245    HA   GLU  25           HA       GLU  25  -3.672  10.562  -4.629
  246   1HB   GLU  25          2HB       GLU  25  -1.047  10.232  -5.694
  247   2HB   GLU  25          1HB       GLU  25  -2.103   9.096  -6.534
  248   1HG   GLU  25          2HG       GLU  25  -3.377  10.762  -7.480
  249   2HG   GLU  25          1HG       GLU  25  -3.150  11.854  -6.113
  250    QB   GLU  25           QB       GLU  25  -1.575   9.664  -6.114
  251    QG   GLU  25           QG       GLU  25  -3.263  11.308  -6.797
  252    H    LEU  26           H        LEU  26  -1.734   7.594  -4.149
  253    HA   LEU  26           HA       LEU  26  -3.691   5.754  -5.171
  254   1HB   LEU  26          2HB       LEU  26  -1.215   5.407  -4.748
  255   2HB   LEU  26          1HB       LEU  26  -1.589   5.303  -3.030
  256    HG   LEU  26           HG       LEU  26  -3.242   3.463  -3.617
  257   1HD1  LEU  26          2HD1      LEU  26  -3.313   4.126  -6.062
  258   2HD1  LEU  26          1HD1      LEU  26  -1.703   3.426  -6.225
  259   3HD1  LEU  26          3HD1      LEU  26  -3.067   2.404  -5.771
  260   1HD2  LEU  26          2HD2      LEU  26  -0.312   3.017  -4.280
  261   2HD2  LEU  26          1HD2      LEU  26  -1.018   2.983  -2.664
  262   3HD2  LEU  26          3HD2      LEU  26  -1.463   1.753  -3.847
  263    QB   LEU  26           QB       LEU  26  -1.402   5.355  -3.889
  264    QD1  LEU  26           QD1      LEU  26  -2.694   3.319  -6.020
  265    QD2  LEU  26           QD2      LEU  26  -0.931   2.584  -3.597
  266    QQD  LEU  26           QQD      LEU  26  -1.813   2.952  -4.808
  267    H    CYS  27           H        CYS  27  -2.733   6.012  -1.727
  268    HA   CYS  27           HA       CYS  27  -4.823   4.784  -0.472
  269   1HB   CYS  27          2HB       CYS  27  -2.724   6.148   0.327
  270   2HB   CYS  27          1HB       CYS  27  -3.856   7.492   0.444
  271    QB   CYS  27           QB       CYS  27  -3.290   6.820   0.385
  272    H    THR  28           H        THR  28  -4.904   8.327  -1.142
  273    HA   THR  28           HA       THR  28  -7.614   8.716  -0.413
  274    HB   THR  28           HB       THR  28  -7.383  10.758  -1.812
  275    HG1  THR  28          1HG       THR  28  -6.036  10.762  -3.408
  276   1HG2  THR  28          3HG2      THR  28  -5.430   9.838   0.175
  277   2HG2  THR  28          2HG2      THR  28  -4.824  11.138  -0.852
  278   3HG2  THR  28          1HG2      THR  28  -6.304  11.367   0.080
  279    QG2  THR  28           QG2      THR  28  -5.519  10.781  -0.199
  280    H    LYS  29           H        LYS  29  -6.224   7.684  -3.520
  281    HA   LYS  29           HA       LYS  29  -8.563   7.851  -5.112
  282   1HB   LYS  29          2HB       LYS  29  -5.944   6.580  -5.133
  283   2HB   LYS  29          1HB       LYS  29  -7.144   5.722  -6.081
  284   1HG   LYS  29          2HG       LYS  29  -7.714   8.172  -6.938
  285   2HG   LYS  29          1HG       LYS  29  -6.044   8.476  -6.460
  286   1HD   LYS  29          2HD       LYS  29  -5.191   6.883  -7.978
  287   2HD   LYS  29          1HD       LYS  29  -6.759   6.099  -8.171
  288   1HE   LYS  29          2HE       LYS  29  -7.511   8.450  -9.099
  289   2HE   LYS  29          1HE       LYS  29  -5.773   8.667  -9.384
  290   1HZ   LYS  29          2HZ       LYS  29  -5.980   6.230 -10.261
  291   2HZ   LYS  29          1HZ       LYS  29  -7.603   6.666 -10.510
  292   3HZ   LYS  29          3HZ       LYS  29  -6.364   7.539 -11.273
  293    QB   LYS  29           QB       LYS  29  -6.544   6.151  -5.607
  294    QG   LYS  29           QG       LYS  29  -6.879   8.324  -6.699
  295    QD   LYS  29           QD       LYS  29  -5.975   6.491  -8.075
  296    QE   LYS  29           QE       LYS  29  -6.642   8.558  -9.242
  297    QZ   LYS  29           QZ       LYS  29  -6.649   6.811 -10.681
  298    H    ASN  30           H        ASN  30  -7.398   5.260  -2.956
  299    HA   ASN  30           HA       ASN  30  -9.472   3.374  -3.756
  300   1HB   ASN  30          2HB       ASN  30  -7.380   3.621  -1.608
  301   2HB   ASN  30          1HB       ASN  30  -8.578   2.330  -1.518
  302   1HD2  ASN  30          2HD2      ASN  30  -5.625   2.155  -4.323
  303   2HD2  ASN  30          1HD2      ASN  30  -5.810   3.534  -3.351
  304    QB   ASN  30           QB       ASN  30  -7.979   2.975  -1.563
  305    QD2  ASN  30           QD2      ASN  30  -5.718   2.845  -3.837
  306    H    GLY  31           H        GLY  31  -9.482   6.159  -1.809
  307   1HA   GLY  31          2HA       GLY  31 -11.606   6.986  -0.889
  308   2HA   GLY  31          1HA       GLY  31 -12.062   5.311  -0.579
  309    QA   GLY  31           QA       GLY  31 -11.834   6.149  -0.734
  310    H    ALA  32           H        ALA  32  -8.850   6.302   0.053
  311    HA   ALA  32           HA       ALA  32  -9.187   5.749   2.937
  312   1HB   ALA  32          1HB       ALA  32  -7.424   4.844   1.285
  313   2HB   ALA  32          3HB       ALA  32  -6.676   6.430   1.432
  314   3HB   ALA  32          2HB       ALA  32  -6.853   5.403   2.856
  315    QB   ALA  32           QB       ALA  32  -6.985   5.559   1.858
  316    H    SER  33           H        SER  33  -7.122   7.264   3.977
  317    HA   SER  33           HA       SER  33  -8.276  10.015   3.863
  318   1HB   SER  33          2HB       SER  33  -8.166   8.845   6.019
  319   2HB   SER  33          1HB       SER  33  -6.434   8.600   5.816
  320    HG   SER  33           HG       SER  33  -7.865  11.012   6.194
  321    QB   SER  33           QB       SER  33  -7.300   8.723   5.917
  322    H    SER  34           H        SER  34  -5.039   8.448   4.031
  323    HA   SER  34           HA       SER  34  -3.917  10.194   1.981
  324   1HB   SER  34          2HB       SER  34  -3.756  10.862   4.893
  325   2HB   SER  34          1HB       SER  34  -2.308  11.125   3.926
  326    HG   SER  34           HG       SER  34  -3.791  12.935   4.012
  327    QB   SER  34           QB       SER  34  -3.032  10.993   4.410
  328    H    GLY  35           H        GLY  35  -1.633   9.494   1.558
  329   1HA   GLY  35          2HA       GLY  35  -0.842   7.158   3.244
  330   2HA   GLY  35          1HA       GLY  35  -0.852   7.011   1.493
  331    QA   GLY  35           QA       GLY  35  -0.847   7.084   2.369
  332    H    TYR  36           H        TYR  36   1.448   6.442   2.672
  333    HA   TYR  36           HA       TYR  36   3.232   8.625   1.762
  334   1HB   TYR  36          2HB       TYR  36   4.220   9.003   3.842
  335   2HB   TYR  36          1HB       TYR  36   2.560   8.686   4.324
  336    HD1  TYR  36          1HD       TYR  36   5.896   7.101   3.905
  337    HD2  TYR  36          2HD       TYR  36   2.035   6.864   5.758
  338    HE1  TYR  36          1HE       TYR  36   6.693   5.222   5.319
  339    HE2  TYR  36          2HE       TYR  36   2.828   4.988   7.175
  340    HH   TYR  36           HH       TYR  36   4.483   3.487   7.476
  341    QB   TYR  36           QB       TYR  36   3.390   8.845   4.083
  342    QD   TYR  36           QD       TYR  36   3.965   6.982   4.831
  343    QE   TYR  36           QE       TYR  36   4.761   5.105   6.247
  344    QR   TYR  36           QR       TYR  36   4.363   6.044   5.539
  345    H    CYS  37           H        CYS  37   5.664   7.662   1.944
  346    HA   CYS  37           HA       CYS  37   5.456   4.888   0.851
  347   1HB   CYS  37          2HB       CYS  37   7.330   7.215   0.531
  348   2HB   CYS  37          1HB       CYS  37   7.833   5.594   0.054
  349    QB   CYS  37           QB       CYS  37   7.582   6.405   0.292
  350    H    GLN  38           H        GLN  38   6.947   3.260   1.475
  351    HA   GLN  38           HA       GLN  38   8.430   3.735   4.045
  352   1HB   GLN  38          2HB       GLN  38   6.336   2.489   4.370
  353   2HB   GLN  38          1HB       GLN  38   6.814   1.341   3.118
  354   1HG   GLN  38          2HG       GLN  38   7.352   0.336   5.237
  355   2HG   GLN  38          1HG       GLN  38   8.874   0.839   4.504
  356   1HE2  GLN  38          2HE2      GLN  38   9.671   3.032   7.137
  357   2HE2  GLN  38          1HE2      GLN  38  10.183   2.219   5.737
  358    QB   GLN  38           QB       GLN  38   6.575   1.915   3.744
  359    QG   GLN  38           QG       GLN  38   8.113   0.588   4.871
  360    QE2  GLN  38           QE2      GLN  38   9.927   2.626   6.437
  361    H    TRP  39           H        TRP  39  10.480   3.946   2.925
  362    HA   TRP  39           HA       TRP  39  11.336   1.952   0.964
  363   1HB   TRP  39          2HB       TRP  39  13.107   3.823   2.533
  364   2HB   TRP  39          1HB       TRP  39  13.314   3.255   0.880
  365    HD1  TRP  39           HD       TRP  39  12.652   6.282   2.458
  366    HE1  TRP  39          1HE       TRP  39  11.132   7.851   1.081
  367    HE3  TRP  39          3HE       TRP  39  10.666   2.917  -0.818
  368    HZ2  TRP  39          2HZ       TRP  39   9.311   7.689  -1.122
  369    HZ3  TRP  39          3HZ       TRP  39   9.043   3.643  -2.541
  370    HH2  TRP  39           HH       TRP  39   8.363   6.022  -2.699
  371    QB   TRP  39           QB       TRP  39  13.210   3.539   1.707
  372    H    ALA  40           H        ALA  40  12.947   0.333   1.310
  373    HA   ALA  40           HA       ALA  40  14.185  -1.255   2.547
  374   1HB   ALA  40          3HB       ALA  40  14.431   1.329   3.762
  375   2HB   ALA  40          2HB       ALA  40  14.357   0.120   5.047
  376   3HB   ALA  40          1HB       ALA  40  15.590  -0.003   3.791
  377    QB   ALA  40           QB       ALA  40  14.793   0.482   4.200
  378    H    GLY  41           H        GLY  41  13.365  -3.066   3.484
  379   1HA   GLY  41          2HA       GLY  41  12.260  -3.667   5.816
  380   2HA   GLY  41          1HA       GLY  41  10.883  -2.831   5.097
  381    QA   GLY  41           QA       GLY  41  11.571  -3.249   5.456
  382    H    LYS  42           H        LYS  42   9.904  -5.055   5.435
  383    HA   LYS  42           HA       LYS  42  10.735  -7.330   3.880
  384   1HB   LYS  42          2HB       LYS  42   8.002  -6.484   4.897
  385   2HB   LYS  42          1HB       LYS  42   8.489  -8.121   4.461
  386   1HG   LYS  42          2HG       LYS  42   9.936  -8.318   6.308
  387   2HG   LYS  42          1HG       LYS  42  10.023  -6.570   6.533
  388   1HD   LYS  42          2HD       LYS  42   7.283  -7.323   6.741
  389   2HD   LYS  42          1HD       LYS  42   8.217  -8.420   7.760
  390   1HE   LYS  42          2HE       LYS  42   9.402  -6.004   8.333
  391   2HE   LYS  42          1HE       LYS  42   7.705  -5.536   8.106
  392   1HZ   LYS  42          1HZ       LYS  42   7.257  -7.683   9.456
  393   2HZ   LYS  42          3HZ       LYS  42   8.853  -7.481   9.996
  394   3HZ   LYS  42          2HZ       LYS  42   7.701  -6.264  10.279
  395    QB   LYS  42           QB       LYS  42   8.246  -7.302   4.679
  396    QG   LYS  42           QG       LYS  42   9.980  -7.444   6.420
  397    QD   LYS  42           QD       LYS  42   7.750  -7.871   7.250
  398    QE   LYS  42           QE       LYS  42   8.554  -5.770   8.219
  399    QZ   LYS  42           QZ       LYS  42   7.937  -7.143   9.910
  400    H    TYR  43           H        TYR  43   8.860  -4.494   3.215
  401    HA   TYR  43           HA       TYR  43   7.990  -5.543   0.572
  402   1HB   TYR  43          2HB       TYR  43   6.951  -2.974   0.780
  403   2HB   TYR  43          1HB       TYR  43   6.071  -4.452   1.128
  404    HD1  TYR  43          1HD       TYR  43   8.246  -1.859   2.647
  405    HD2  TYR  43          2HD       TYR  43   5.389  -4.966   3.291
  406    HE1  TYR  43          1HE       TYR  43   8.224  -1.314   5.055
  407    HE2  TYR  43          2HE       TYR  43   5.329  -4.426   5.698
  408    HH   TYR  43           HH       TYR  43   7.207  -3.246   7.362
  409    QB   TYR  43           QB       TYR  43   6.511  -3.713   0.954
  410    QD   TYR  43           QD       TYR  43   6.817  -3.413   2.969
  411    QE   TYR  43           QE       TYR  43   6.777  -2.870   5.377
  412    QR   TYR  43           QR       TYR  43   6.797  -3.141   4.173
  413    H    GLY  44           H        GLY  44  10.742  -4.505   1.537
  414   1HA   GLY  44          2HA       GLY  44  12.457  -3.110   0.707
  415   2HA   GLY  44          1HA       GLY  44  11.697  -3.395  -0.864
  416    QA   GLY  44           QA       GLY  44  12.077  -3.253  -0.078
  417    H    ASN  45           H        ASN  45  10.602  -1.717  -1.813
  418    HA   ASN  45           HA       ASN  45  10.299   0.800  -0.230
  419   1HB   ASN  45          2HB       ASN  45  10.879   0.042  -3.085
  420   2HB   ASN  45          1HB       ASN  45  10.179   1.612  -2.732
  421   1HD2  ASN  45          2HD2      ASN  45  13.334   2.927  -1.923
  422   2HD2  ASN  45          1HD2      ASN  45  11.803   3.171  -2.614
  423    QB   ASN  45           QB       ASN  45  10.529   0.827  -2.908
  424    QD2  ASN  45           QD2      ASN  45  12.569   3.049  -2.268
  425    H    ALA  46           H        ALA  46   8.180   0.203   0.618
  426    HA   ALA  46           HA       ALA  46   6.062  -0.449  -1.371
  427   1HB   ALA  46          3HB       ALA  46   6.744  -1.182   1.291
  428   2HB   ALA  46          2HB       ALA  46   5.183  -0.367   1.357
  429   3HB   ALA  46          1HB       ALA  46   5.396  -1.776   0.321
  430    QB   ALA  46           QB       ALA  46   5.774  -1.108   0.990
  431    H    CYS  47           H        CYS  47   3.910   0.387   0.166
  432    HA   CYS  47           HA       CYS  47   4.094   3.344   0.420
  433   1HB   CYS  47          2HB       CYS  47   3.291   2.084  -1.901
  434   2HB   CYS  47          1HB       CYS  47   1.756   2.331  -1.068
  435    QB   CYS  47           QB       CYS  47   2.524   2.207  -1.485
  436    H    TRP  48           H        TRP  48   3.314   3.570   2.502
  437    HA   TRP  48           HA       TRP  48   1.340   1.683   3.605
  438   1HB   TRP  48          2HB       TRP  48   3.227   2.493   4.937
  439   2HB   TRP  48          1HB       TRP  48   2.739   4.163   4.654
  440    HD1  TRP  48           HD       TRP  48   0.763   5.133   6.112
  441    HE1  TRP  48          1HE       TRP  48  -0.559   4.194   8.136
  442    HE3  TRP  48          3HE       TRP  48   2.251   0.290   5.957
  443    HZ2  TRP  48          2HZ       TRP  48  -0.893   1.724   9.500
  444    HZ3  TRP  48          3HZ       TRP  48   1.431  -1.353   7.628
  445    HH2  TRP  48           HH       TRP  48  -0.162  -0.631   9.392
  446    QB   TRP  48           QB       TRP  48   2.983   3.328   4.795
  447    H    CYS  49           H        CYS  49  -0.763   2.067   2.905
  448    HA   CYS  49           HA       CYS  49  -1.643   4.904   2.646
  449   1HB   CYS  49          2HB       CYS  49  -2.301   3.602   0.795
  450   2HB   CYS  49          1HB       CYS  49  -2.673   2.199   1.779
  451    QB   CYS  49           QB       CYS  49  -2.487   2.901   1.287
  452    H    TYR  50           H        TYR  50  -2.677   5.838   4.270
  453    HA   TYR  50           HA       TYR  50  -3.405   4.371   6.706
  454   1HB   TYR  50          2HB       TYR  50  -2.732   7.069   5.811
  455   2HB   TYR  50          1HB       TYR  50  -4.046   7.063   6.977
  456    HD1  TYR  50          2HD       TYR  50  -3.621   5.382   9.045
  457    HD2  TYR  50          1HD       TYR  50  -0.577   7.141   6.577
  458    HE1  TYR  50          2HE       TYR  50  -1.957   5.032  10.853
  459    HE2  TYR  50          1HE       TYR  50   1.090   6.792   8.388
  460    HH   TYR  50           HH       TYR  50   1.108   6.504  10.837
  461    QB   TYR  50           QB       TYR  50  -3.389   7.066   6.394
  462    QD   TYR  50           QD       TYR  50  -2.099   6.261   7.811
  463    QE   TYR  50           QE       TYR  50  -0.434   5.912   9.620
  464    QR   TYR  50           QR       TYR  50  -1.266   6.087   8.716
  465    H    ALA  51           H        ALA  51  -5.464   4.583   7.701
  466    HA   ALA  51           HA       ALA  51  -7.811   4.309   7.626
  467   1HB   ALA  51          3HB       ALA  51  -6.889   6.945   7.174
  468   2HB   ALA  51          2HB       ALA  51  -8.260   6.715   6.090
  469   3HB   ALA  51          1HB       ALA  51  -8.456   6.466   7.825
  470    QB   ALA  51           QB       ALA  51  -7.868   6.708   7.030
  471    H    LEU  52           H        LEU  52  -6.760   2.744   5.659
  472    HA   LEU  52           HA       LEU  52  -7.960   3.373   3.057
  473   1HB   LEU  52          2HB       LEU  52  -5.815   2.144   3.445
  474   2HB   LEU  52          1HB       LEU  52  -6.739   0.835   4.182
  475    HG   LEU  52           HG       LEU  52  -8.089   0.746   2.014
  476   1HD1  LEU  52          3HD1      LEU  52  -6.833   3.073   1.427
  477   2HD1  LEU  52          2HD1      LEU  52  -5.769   1.936   0.602
  478   3HD1  LEU  52          1HD1      LEU  52  -7.484   1.993   0.197
  479   1HD2  LEU  52          1HD2      LEU  52  -5.517  -0.313   2.699
  480   2HD2  LEU  52          3HD2      LEU  52  -6.776  -1.050   1.709
  481   3HD2  LEU  52          2HD2      LEU  52  -5.557  -0.018   0.962
  482    QB   LEU  52           QB       LEU  52  -6.277   1.490   3.814
  483    QD1  LEU  52           QD1      LEU  52  -6.695   2.334   0.742
  484    QD2  LEU  52           QD2      LEU  52  -5.950  -0.460   1.790
  485    QQD  LEU  52           QQD      LEU  52  -6.323   0.937   1.266
  486    HA   PRO  53           HA       PRO  53 -11.898   1.729   4.163
  487   1HB   PRO  53          2HB       PRO  53 -12.791   1.137   1.629
  488   2HB   PRO  53          1HB       PRO  53 -12.781   2.777   2.305
  489   1HG   PRO  53          2HG       PRO  53 -10.783   1.473   0.499
  490   2HG   PRO  53          1HG       PRO  53 -11.484   3.101   0.413
  491   1HD   PRO  53          2HD       PRO  53  -9.034   2.718   1.424
  492   2HD   PRO  53          1HD       PRO  53 -10.137   3.914   2.132
  493    QB   PRO  53           QB       PRO  53 -12.786   1.957   1.967
  494    QG   PRO  53           QG       PRO  53 -11.134   2.287   0.456
  495    QD   PRO  53           QD       PRO  53  -9.585   3.316   1.778
  496    H    ASP  54           H        ASP  54 -12.637  -0.348   4.606
  497    HA   ASP  54           HA       ASP  54 -10.858  -2.529   4.480
  498   1HB   ASP  54          2HB       ASP  54 -13.813  -2.167   4.950
  499   2HB   ASP  54          1HB       ASP  54 -13.047  -3.741   5.097
  500    QB   ASP  54           QB       ASP  54 -13.430  -2.954   5.024
  501    H    ASN  55           H        ASN  55 -12.801  -1.265   1.979
  502    HA   ASN  55           HA       ASN  55 -13.349  -3.756   0.572
  503   1HB   ASN  55          2HB       ASN  55 -14.217  -2.277  -1.105
  504   2HB   ASN  55          1HB       ASN  55 -14.569  -1.507   0.442
  505   1HD2  ASN  55          2HD2      ASN  55 -12.725   0.764  -2.106
  506   2HD2  ASN  55          1HD2      ASN  55 -13.917  -0.406  -2.408
  507    QB   ASN  55           QB       ASN  55 -14.393  -1.892  -0.331
  508    QD2  ASN  55           QD2      ASN  55 -13.321   0.179  -2.257
  509    H    VAL  56           H        VAL  56 -10.480  -2.245   1.217
  510    HA   VAL  56           HA       VAL  56  -9.253  -3.019  -1.408
  511    HB   VAL  56           HB       VAL  56  -8.372  -1.041   0.726
  512   1HG1  VAL  56          3HG1      VAL  56  -7.267  -1.644  -2.034
  513   2HG1  VAL  56          2HG1      VAL  56  -6.728  -0.327  -0.992
  514   3HG1  VAL  56          1HG1      VAL  56  -6.475  -2.001  -0.499
  515   1HG2  VAL  56          3HG2      VAL  56 -10.432  -0.708  -1.025
  516   2HG2  VAL  56          2HG2      VAL  56  -9.416   0.618  -0.455
  517   3HG2  VAL  56          1HG2      VAL  56  -9.082  -0.146  -2.011
  518    QG1  VAL  56           QG1      VAL  56  -6.823  -1.324  -1.175
  519    QG2  VAL  56           QG2      VAL  56  -9.643  -0.079  -1.164
  520    QQG  VAL  56           QQG      VAL  56  -8.233  -0.701  -1.169
  521    HA   PRO  57           HA       PRO  57  -7.327  -6.151   1.113
  522   1HB   PRO  57          2HB       PRO  57  -5.744  -7.212  -0.849
  523   2HB   PRO  57          1HB       PRO  57  -7.483  -7.541  -0.727
  524   1HG   PRO  57          2HG       PRO  57  -6.034  -5.677  -2.531
  525   2HG   PRO  57          1HG       PRO  57  -7.455  -6.682  -2.849
  526   1HD   PRO  57          2HD       PRO  57  -7.561  -3.989  -2.351
  527   2HD   PRO  57          1HD       PRO  57  -8.903  -5.113  -2.044
  528    QB   PRO  57           QB       PRO  57  -6.614  -7.376  -0.788
  529    QG   PRO  57           QG       PRO  57  -6.745  -6.179  -2.690
  530    QD   PRO  57           QD       PRO  57  -8.232  -4.551  -2.197
  531    H    ILE  58           H        ILE  58  -5.330  -6.311   2.208
  532    HA   ILE  58           HA       ILE  58  -3.277  -4.253   1.470
  533    HB   ILE  58           HB       ILE  58  -2.769  -4.267   3.887
  534   1HG1  ILE  58          2HG1      ILE  58  -5.123  -5.853   4.639
  535   2HG1  ILE  58          1HG1      ILE  58  -3.885  -6.802   3.816
  536   1HG2  ILE  58          3HG2      ILE  58  -4.861  -3.065   2.727
  537   2HG2  ILE  58          2HG2      ILE  58  -5.749  -4.110   3.836
  538   3HG2  ILE  58          1HG2      ILE  58  -4.573  -2.955   4.463
  539   1HD1  ILE  58          2HD1      ILE  58  -2.186  -5.954   5.398
  540   2HD1  ILE  58          1HD1      ILE  58  -3.430  -5.018   6.227
  541   3HD1  ILE  58          3HD1      ILE  58  -3.490  -6.780   6.249
  542    QG1  ILE  58           QG1      ILE  58  -4.504  -6.327   4.228
  543    QG2  ILE  58           QG2      ILE  58  -5.061  -3.376   3.676
  544    QD1  ILE  58           QD1      ILE  58  -3.035  -5.917   5.958
  545    H    ARG  59           H        ARG  59  -1.098  -5.076   2.774
  546    HA   ARG  59           HA       ARG  59  -0.285  -7.488   1.331
  547   1HB   ARG  59          2HB       ARG  59   1.287  -5.714   1.453
  548   2HB   ARG  59          1HB       ARG  59   0.997  -5.469   3.175
  549   1HG   ARG  59          2HG       ARG  59   3.163  -6.619   2.735
  550   2HG   ARG  59          1HG       ARG  59   2.061  -7.606   3.695
  551   1HD   ARG  59          2HD       ARG  59   2.562  -9.216   2.135
  552   2HD   ARG  59          1HD       ARG  59   1.363  -8.361   1.149
  553    HE   ARG  59           HE       ARG  59   3.210  -7.101   0.111
  554   1HH1  ARG  59          1HH2      ARG  59   3.728 -10.262   1.105
  555   2HH1  ARG  59          2HH2      ARG  59   5.450 -10.224   0.928
  556   1HH2  ARG  59          1HH1      ARG  59   5.580  -6.811   0.332
  557   2HH2  ARG  59          2HH1      ARG  59   6.499  -8.271   0.490
  558    QB   ARG  59           QB       ARG  59   1.142  -5.591   2.314
  559    QG   ARG  59           QG       ARG  59   2.612  -7.113   3.215
  560    QD   ARG  59           QD       ARG  59   1.962  -8.788   1.642
  561    QH1  ARG  59           QH2      ARG  59   4.589 -10.243   1.017
  562    QH2  ARG  59           QH1      ARG  59   6.039  -7.541   0.411
  563    H    VAL  60           H        VAL  60  -0.604  -9.510   2.164
  564    HA   VAL  60           HA       VAL  60  -1.013  -9.830   5.099
  565    HB   VAL  60           HB       VAL  60  -2.093 -11.879   4.465
  566   1HG1  VAL  60          2HG1      VAL  60  -2.797  -9.401   3.323
  567   2HG1  VAL  60          1HG1      VAL  60  -3.006 -10.592   2.040
  568   3HG1  VAL  60          3HG1      VAL  60  -3.851 -10.792   3.574
  569   1HG2  VAL  60          3HG2      VAL  60  -0.173 -11.769   2.301
  570   2HG2  VAL  60          2HG2      VAL  60  -1.123 -13.143   2.868
  571   3HG2  VAL  60          1HG2      VAL  60  -1.795 -12.044   1.663
  572    QG1  VAL  60           QG1      VAL  60  -3.218 -10.261   2.979
  573    QG2  VAL  60           QG2      VAL  60  -1.030 -12.319   2.277
  574    QQG  VAL  60           QQG      VAL  60  -2.124 -11.290   2.628
  575    HA   PRO  61           HA       PRO  61   2.848 -11.827   5.712
  576   1HB   PRO  61          2HB       PRO  61   2.194 -13.879   7.406
  577   2HB   PRO  61          1HB       PRO  61   2.231 -12.178   7.915
  578   1HG   PRO  61          2HG       PRO  61  -0.095 -13.888   7.195
  579   2HG   PRO  61          1HG       PRO  61   0.055 -12.659   8.460
  580   1HD   PRO  61          2HD       PRO  61  -1.209 -12.227   6.081
  581   2HD   PRO  61          1HD       PRO  61  -0.434 -10.940   7.031
  582    QB   PRO  61           QB       PRO  61   2.213 -13.028   7.660
  583    QG   PRO  61           QG       PRO  61  -0.020 -13.273   7.827
  584    QD   PRO  61           QD       PRO  61  -0.821 -11.584   6.556
  585    H    GLY  62           H        GLY  62   3.588 -12.837   3.838
  586   1HA   GLY  62          2HA       GLY  62   3.628 -15.624   3.559
  587   2HA   GLY  62          1HA       GLY  62   2.255 -15.075   2.598
  588    QA   GLY  62           QA       GLY  62   2.942 -15.350   3.079
  589    H    LYS  63           H        LYS  63   2.644 -14.052   0.637
  590    HA   LYS  63           HA       LYS  63   5.359 -13.137  -0.079
  591   1HB   LYS  63          2HB       LYS  63   4.302 -15.792  -0.651
  592   2HB   LYS  63          1HB       LYS  63   4.712 -14.931  -2.135
  593   1HG   LYS  63          2HG       LYS  63   6.905 -14.311  -0.771
  594   2HG   LYS  63          1HG       LYS  63   6.493 -15.780   0.116
  595   1HD   LYS  63          2HD       LYS  63   6.554 -15.752  -2.900
  596   2HD   LYS  63          1HD       LYS  63   8.023 -16.019  -1.962
  597   1HE   LYS  63          2HE       LYS  63   7.018 -17.959  -0.857
  598   2HE   LYS  63          1HE       LYS  63   5.479 -17.664  -1.691
  599   1HZ   LYS  63          3HZ       LYS  63   6.831 -17.721  -3.808
  600   2HZ   LYS  63          2HZ       LYS  63   8.093 -18.385  -2.887
  601   3HZ   LYS  63          1HZ       LYS  63   6.616 -19.211  -3.027
  602    QB   LYS  63           QB       LYS  63   4.507 -15.361  -1.393
  603    QG   LYS  63           QG       LYS  63   6.699 -15.045  -0.327
  604    QD   LYS  63           QD       LYS  63   7.288 -15.885  -2.431
  605    QE   LYS  63           QE       LYS  63   6.248 -17.812  -1.274
  606    QZ   LYS  63           QZ       LYS  63   7.180 -18.439  -3.240
  607    H    CYS  64           H        CYS  64   5.035 -13.078  -2.833
  608    HA   CYS  64           HA       CYS  64   2.400 -12.026  -3.524
  609   1HB   CYS  64          2HB       CYS  64   2.794  -9.866  -2.995
  610   2HB   CYS  64          1HB       CYS  64   4.288 -10.368  -2.239
  611    QB   CYS  64           QB       CYS  64   3.541 -10.117  -2.617
  612    H    ARG  65           H        ARG  65   2.525 -11.056  -5.863
  613    HA   ARG  65           HA       ARG  65   4.066 -12.971  -7.513
  614   1HB   ARG  65          2HB       ARG  65   1.703 -12.530  -7.972
  615   2HB   ARG  65          1HB       ARG  65   2.030 -10.802  -8.121
  616   1HG   ARG  65          2HG       ARG  65   3.318 -11.119 -10.106
  617   2HG   ARG  65          1HG       ARG  65   3.345 -12.870  -9.890
  618   1HD   ARG  65          2HD       ARG  65   0.660 -12.451  -9.917
  619   2HD   ARG  65          1HD       ARG  65   1.195 -11.139 -10.988
  620    HE   ARG  65           HE       ARG  65   2.576 -13.608 -11.597
  621   1HH1  ARG  65          1HH1      ARG  65   1.551 -11.664 -13.640
  622   2HH1  ARG  65          2HH1      ARG  65   0.258 -12.556 -14.369
  623   1HH2  ARG  65          1HH2      ARG  65   0.060 -14.879 -11.803
  624   2HH2  ARG  65          2HH2      ARG  65  -0.588 -14.376 -13.328
  625    QB   ARG  65           QB       ARG  65   1.866 -11.666  -8.047
  626    QG   ARG  65           QG       ARG  65   3.332 -11.994  -9.998
  627    QD   ARG  65           QD       ARG  65   0.927 -11.795 -10.453
  628    QH1  ARG  65           QH1      ARG  65   0.904 -12.110 -14.004
  629    QH2  ARG  65           QH2      ARG  65  -0.264 -14.628 -12.565
   
  No H/Q in entry =         629