*HEADER    ANTIMICROBIAL PROTEIN                   17-OCT-16   5H2S              
*TITLE     SOLUTION STRUCTURE OF TILAPIA PISCIDIN 4 (TP4) FROM OREOCHROMIS       
*TITLE    2 NILOTICUS                                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PISCIDIN-4;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 23-47;                                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: OREOCHROMIS NILOTICUS;                          
*SOURCE   4 ORGANISM_COMMON: NILE TILAPIA;                                       
*SOURCE   5 ORGANISM_TAXID: 8128;                                                
*SOURCE   6 OTHER_DETAILS: OREOCHROMIS NILOTICUS SPLEEN TISSUES, GR634176.1      
*KEYWDS    ANTIMICROBIAL PEPTIDE, PISCIDIN, TILAPIA PISCIDIN 4, DPC MICELLE,     
*KEYWDS   2 ANTIMICROBIAL PROTEIN                                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    15                                                                    
*AUTHOR    S.WEI,C.CHEN                                                          
*REVDAT   1   25-OCT-17 5H2S    0                                                
# Restraints file 1: TP4_DPC_dih_2016.tbl
remarks JHNHA restrants (21)
!TP4_DPC.20151208#9
restraints dihedral
   assign (resid 2 and name C)
	  (resid 3 and name N)
	  (resid 3 and name CA)
	  (resid 3 and name C) 1.0 -120 60.0 2 
   assign (resid 3 and name C)
	  (resid 4 and name N)
	  (resid 4 and name CA)
	  (resid 4 and name C) 1.0 -120 40.0 2  
   assign (resid 8 and name C)
	  (resid 9 and name N)
	  (resid 9 and name CA)
	  (resid 9 and name C) 1.0 -120 60.0 2
   assign (resid 9 and name C)
	  (resid 10 and name N)
	  (resid 10 and name CA)
	  (resid 10 and name C) 1.0 -60 40.0 2 
   assign (resid 10 and name C)
	  (resid 11 and name N)
	  (resid 11 and name CA)
	  (resid 11 and name C) 1.0 -120 60.0 2 
   assign (resid 11 and name C)
	  (resid 12 and name N)
	  (resid 12 and name CA)
	  (resid 12 and name C) 1.0 -120 60.0 2 
   assign (resid 14 and name C)
	  (resid 15 and name N)
	  (resid 15 and name CA)
	  (resid 15 and name C) 1.0 -120 60.0 2
   assign (resid 15 and name C)
	  (resid 16 and name N)
	  (resid 16 and name CA)
	  (resid 16 and name C) 1.0 -120 40.0 2
assign (resid 16 and name C)
	  (resid 17 and name N)
	  (resid 17 and name CA)
	  (resid 17 and name C) 1.0 -120 60.0 2
assign (resid 17 and name C)
	  (resid 18 and name N)
	  (resid 18 and name CA)
	  (resid 18 and name C) 1.0 -120 60.0 2
assign (resid 18 and name C)
	  (resid 19 and name N)
	  (resid 19 and name CA)
	  (resid 19 and name C) 1.0 -120 60.0 2
assign (resid 20 and name C)
	  (resid 21 and name N)
	  (resid 21 and name CA)
	  (resid 21 and name C) 1.0 -60 40.0 2
assign (resid 21 and name C)
	  (resid 22 and name N)
	  (resid 22 and name CA)
	  (resid 22 and name C) 1.0 -120 60.0 2
assign (resid 22 and name C)
	  (resid 23 and name N)
	  (resid 23 and name CA)
	  (resid 23 and name C) 1.0 -120 60.0 2
assign (resid 23 and name C)
	  (resid 24 and name N)
	  (resid 24 and name CA)
	  (resid 24 and name C) 1.0 -120 60.0 2
assign (resid 24 and name C)
	  (resid 25 and name N)
	  (resid 25 and name CA)
	  (resid 25 and name C) 1.0 -120 60.0 2
end 
   

# Restraints file 2: TP4_noe_2016.tbl
!!!interNOE
!sequential
assign (resid    2 and  name HA   )(resid    3 and  name HA   ) 1.8 0.0 3.2 !
assign (resid    2 and  name HB   )(resid    3 and  name HA   ) 1.8 0.0 3.2 !
assign (resid    2 and  name HG2# )(resid    3 and  name HA   ) 1.8 0.0 3.2 !
assign (resid    2 and  name HA   )(resid    3 and  name HN   ) 1.8 0.0 1.7 !
assign (resid    2 and  name HB   )(resid    3 and  name HN   ) 1.8 0.0 2.2 !
assign (resid    2 and  name HG2# )(resid    3 and  name HN   ) 1.8 0.0 3.2 !
assign (resid    2 and  name HA   )(resid    3 and  name HD2  ) 1.8 0.0 3.2 !
assign (resid    2 and  name HG2# )(resid    3 and  name HD2  ) 1.8 0.0 3.2 !
assign (resid    2 and  name HG2# )(resid    3 and  name HE1  ) 1.8 0.0 3.2 !
assign (resid    5 and  name HA   )(resid    4 and  name HA   ) 1.8 0.0 3.2 !
assign (resid    5 and  name HA   )(resid    4 and  name HD2  ) 1.8 0.0 3.2 !
assign (resid    5 and  name HD1# )(resid    4 and  name HD2  ) 1.8 0.0 3.7 !
assign (resid    5 and  name HG2# )(resid    4 and  name HD2  ) 1.8 0.0 3.2 !
assign (resid    3 and  name HA   )(resid    4 and  name HN   ) 1.8 0.0 1.7 !
assign (resid    3 and  name HB#  )(resid    4 and  name HN   ) 1.8 0.0 2.2 !
assign (resid    5 and  name HA   )(resid    4 and  name HN   ) 1.8 0.0 3.2 !
assign (resid    5 and  name HN   )(resid    4 and  name HN   ) 1.8 0.0 3.2 !
assign (resid    4 and  name HA   )(resid    5 and  name HN   ) 1.8 0.0 1.7 !
assign (resid    4 and  name HB#  )(resid    5 and  name HN   ) 1.8 0.0 3.2 !
assign (resid    7 and  name HN   )(resid    6 and  name HN   ) 1.8 0.0 2.2 !
assign (resid    6 and  name HA   )(resid    7 and  name HN   ) 1.8 0.0 1.7 !
assign (resid    6 and  name HB   )(resid    7 and  name HN   ) 1.8 0.0 1.7 !
assign (resid    6 and  name HG2# )(resid    7 and  name HN   ) 1.8 0.0 3.2 !
assign (resid    6 and  name HG1# )(resid    7 and  name HN   ) 1.8 0.0 3.2 !
assign (resid    6 and  name HD1# )(resid    7 and  name HN   ) 1.8 0.0 3.2 !
assign (resid    8 and  name HA#  )(resid    7 and  name HN   ) 1.8 0.0 3.2 !
assign (resid    8 and  name HN   )(resid    7 and  name HN   ) 1.8 0.0 1.7 !
assign (resid    7 and  name HA#  )(resid    8 and  name HN   ) 1.8 0.0 1.2 !
assign (resid    9 and  name HN   )(resid    8 and  name HN   ) 1.8 0.0 1.7 !
assign (resid    8 and  name HA#  )(resid    9 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   10 and  name HN   )(resid    9 and  name HN   ) 1.8 0.0 1.7 !
assign (resid    9 and  name HG   )(resid   10 and  name HA   ) 1.8 0.0 2.7 !
assign (resid    9 and  name HG   )(resid   10 and  name HB#  ) 1.8 0.0 3.2 !
assign (resid    9 and  name HA   )(resid   10 and  name HN   ) 1.8 0.0 3.2 !
assign (resid    9 and  name HB#  )(resid   10 and  name HN   ) 1.8 0.0 2.7 !
assign (resid   11 and  name HN   )(resid   10 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   10 and  name HB#  )(resid   11 and  name HA   ) 1.8 0.0 3.2 !
assign (resid   10 and  name HA   )(resid   11 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   10 and  name HB#  )(resid   11 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   12 and  name HN   )(resid   11 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   11 and  name HA   )(resid   12 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   11 and  name HB#  )(resid   12 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   13 and  name HN   )(resid   12 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   12 and  name HB#  )(resid   13 and  name HA#  ) 1.8 0.0 4.2 !
assign (resid   12 and  name HA   )(resid   13 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   12 and  name HB#  )(resid   13 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   14 and  name HN   )(resid   13 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   13 and  name HA#  )(resid   14 and  name HN   ) 1.8 0.0 1.2 !
assign (resid   15 and  name HN   )(resid   14 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   14 and  name HA   )(resid   15 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   14 and  name HG#  )(resid   15 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   16 and  name HA   )(resid   15 and  name HN   ) 1.8 0.0 3.7 !
assign (resid   16 and  name HN   )(resid   15 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   15 and  name HB#  )(resid   16 and  name HA   ) 1.8 0.0 2.7 !
assign (resid   15 and  name HA   )(resid   16 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   15 and  name HB#  )(resid   16 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   17 and  name HA   )(resid   16 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   17 and  name HN   )(resid   16 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   16 and  name HB   )(resid   17 and  name HA   ) 1.8 0.0 3.2 !
assign (resid   16 and  name HG2# )(resid   17 and  name HA   ) 1.8 0.0 3.7 !
assign (resid   18 and  name HA   )(resid   17 and  name HD2  ) 1.8 0.0 3.2 !
assign (resid   18 and  name HG#  )(resid   17 and  name HE1  ) 1.8 0.0 2.2 !
assign (resid   16 and  name HA   )(resid   17 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   16 and  name HD1# )(resid   17 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   16 and  name HG1# )(resid   17 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   16 and  name HG2# )(resid   17 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   18 and  name HN   )(resid   17 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   17 and  name HB#  )(resid   18 and  name HA   ) 1.8 0.0 3.7 !
assign (resid   17 and  name HA   )(resid   18 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   17 and  name HB#  )(resid   18 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   20 and  name HN   )(resid   19 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   19 and  name HA   )(resid   20 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   19 and  name HB#  )(resid   20 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   19 and  name HG   )(resid   20 and  name HN   ) 1.8 0.0 1.2 !
assign (resid   21 and  name HN   )(resid   20 and  name HN   ) 1.8 0.0 1.2 !
assign (resid   20 and  name HG2# )(resid   21 and  name HA   ) 1.8 0.0 3.7 !
assign (resid   20 and  name HG2# )(resid   21 and  name HD#  ) 1.8 0.0 4.2 !
assign (resid   20 and  name HA   )(resid   21 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   20 and  name HB   )(resid   21 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   20 and  name HD1# )(resid   21 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   20 and  name HG1# )(resid   21 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   20 and  name HG2# )(resid   21 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   21 and  name HA   )(resid   22 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   21 and  name HD#  )(resid   22 and  name HN   ) 1.8 0.0 3.7 !
assign (resid   21 and  name HG#  )(resid   22 and  name HN   ) 1.8 0.0 2.7 !
assign (resid   23 and  name HN   )(resid   22 and  name HN   ) 1.8 0.0 1.2 !
assign (resid   22 and  name HA   )(resid   23 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   24 and  name HN   )(resid   23 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   23 and  name HA   )(resid   24 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   25 and  name HN   )(resid   24 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   24 and  name HA   )(resid   25 and  name HN   ) 1.8 0.0 0.7 !

!medium range
assign (resid    5 and  name HD1# )(resid    2 and  name HA   ) 1.8 0.0 3.2 !
assign (resid    6 and  name HB   )(resid    3 and  name HA   ) 1.8 0.0 3.2 !
assign (resid    6 and  name HD1# )(resid    3 and  name HA   ) 1.8 0.0 3.2 !
assign (resid    6 and  name HG1# )(resid    3 and  name HA   ) 1.8 0.0 2.8 !
assign (resid    6 and  name HG2# )(resid    3 and  name HA   ) 1.8 0.0 2.8 !
assign (resid    5 and  name HG2# )(resid    3 and  name HD2  ) 1.8 0.0 3.2 !
assign (resid    2 and  name HG2# )(resid    4 and  name HE1  ) 1.8 0.0 3.2 !
assign (resid    6 and  name HN   )(resid    4 and  name HN   ) 1.8 0.0 3.2 !
assign (resid    4 and  name HA   )(resid    6 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   10 and  name HB#  )(resid    7 and  name HA#  ) 1.8 0.0 3.2 !
assign (resid    3 and  name HA   )(resid    7 and  name HN   ) 1.8 0.0 4.2 !
assign (resid    4 and  name HA   )(resid    7 and  name HN   ) 1.8 0.0 3.7 !
assign (resid   10 and  name HB#  )(resid    7 and  name HN   ) 1.8 0.0 2.2 !
assign (resid    4 and  name HA   )(resid    8 and  name HN   ) 1.8 0.0 3.2 !
assign (resid    5 and  name HA   )(resid    8 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   10 and  name HB#  )(resid    8 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   10 and  name HN   )(resid    8 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   12 and  name HB#  )(resid    9 and  name HA   ) 1.8 0.0 4.2 !
assign (resid    6 and  name HA   )(resid    9 and  name HN   ) 1.8 0.0 3.2 !
assign (resid    6 and  name HG2# )(resid    9 and  name HN   ) 1.8 0.0 4.2 !
assign (resid    7 and  name HA#  )(resid    9 and  name HN   ) 1.8 0.0 2.7 !
assign (resid    6 and  name HA   )(resid   10 and  name HA   ) 1.8 0.0 3.2 !
assign (resid   13 and  name HA#  )(resid   10 and  name HA   ) 1.8 0.0 3.2 !
assign (resid    6 and  name HD1# )(resid   10 and  name HB#  ) 1.8 0.0 4.2 !
assign (resid    6 and  name HG2# )(resid   10 and  name HB#  ) 1.8 0.0 4.2 !
assign (resid    6 and  name HG2# )(resid   10 and  name HD#  ) 1.8 0.0 4.2 !
assign (resid    6 and  name HG2# )(resid   10 and  name HN   ) 1.8 0.0 3.2 !
assign (resid    7 and  name HA#  )(resid   10 and  name HN   ) 1.8 0.0 3.2 !
assign (resid    8 and  name HA#  )(resid   10 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   13 and  name HN   )(resid   10 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   14 and  name HB#  )(resid   11 and  name HA   ) 1.8 0.0 3.2 !
assign (resid   14 and  name HE#  )(resid   11 and  name HA   ) 1.8 0.0 3.2 !
assign (resid   14 and  name HG#  )(resid   11 and  name HA   ) 1.8 0.0 3.2 !
assign (resid   13 and  name HN   )(resid   11 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   14 and  name HN   )(resid   12 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   16 and  name HB   )(resid   13 and  name HA#  ) 1.8 0.0 2.2 !
assign (resid   16 and  name HD1# )(resid   13 and  name HA#  ) 1.8 0.0 3.2 !
assign (resid   16 and  name HG2# )(resid   13 and  name HA#  ) 1.8 0.0 4.2 !
assign (resid    9 and  name HA   )(resid   13 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   10 and  name HA   )(resid   13 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   15 and  name HN   )(resid   13 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   17 and  name HB#  )(resid   14 and  name HA   ) 1.8 0.0 1.7 !
assign (resid   10 and  name HA   )(resid   14 and  name HN   ) 1.8 0.0 2.7 !
assign (resid   10 and  name HB#  )(resid   14 and  name HN   ) 1.8 0.0 3.7 !
assign (resid   11 and  name HA   )(resid   14 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   12 and  name HA   )(resid   14 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   16 and  name HN   )(resid   14 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   18 and  name HB#  )(resid   15 and  name HA   ) 1.8 0.0 2.2 !
assign (resid   18 and  name HD#  )(resid   15 and  name HA   ) 1.8 0.0 3.2 !
assign (resid   12 and  name HA   )(resid   15 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   13 and  name HA#  )(resid   15 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   12 and  name HA   )(resid   16 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   12 and  name HB#  )(resid   16 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   20 and  name HB   )(resid   17 and  name HA   ) 1.8 0.0 3.2 !
assign (resid   20 and  name HD1# )(resid   17 and  name HA   ) 1.8 0.0 3.2 !
assign (resid   20 and  name HG1# )(resid   17 and  name HA   ) 1.8 0.0 3.2 !
assign (resid   20 and  name HG2# )(resid   17 and  name HA   ) 1.8 0.0 3.7 !
assign (resid   14 and  name HA   )(resid   17 and  name HD2  ) 1.8 0.0 3.2 !
assign (resid   20 and  name HG1# )(resid   17 and  name HD2  ) 1.8 0.0 3.7 !
assign (resid   20 and  name HD1# )(resid   17 and  name HD2  ) 1.8 0.0 3.2 !
assign (resid   20 and  name HG2# )(resid   17 and  name HD2  ) 1.8 0.0 3.2 !
assign (resid   21 and  name HD#  )(resid   17 and  name HD2  ) 1.8 0.0 3.2 !
assign (resid   21 and  name HG#  )(resid   17 and  name HD2  ) 1.8 0.0 1.7 !
assign (resid   15 and  name HN   )(resid   17 and  name HE1  ) 1.8 0.0 4.2 !
assign (resid   21 and  name HD#  )(resid   17 and  name HE1  ) 1.8 0.0 2.2 !
assign (resid   15 and  name HB#  )(resid   17 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   19 and  name HN   )(resid   17 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   21 and  name HB#  )(resid   18 and  name HA   ) 1.8 0.0 3.2 !
assign (resid   21 and  name HD#  )(resid   18 and  name HA   ) 1.8 0.0 2.2 !
assign (resid   15 and  name HA   )(resid   18 and  name HE   ) 1.8 0.0 2.2 !
assign (resid   22 and  name HD#  )(resid   19 and  name HA   ) 1.8 0.0 2.2 !
assign (resid   16 and  name HA   )(resid   19 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   16 and  name HG1# )(resid   19 and  name HN   ) 1.8 0.0 4.2 !
assign (resid   23 and  name HD#  )(resid   20 and  name HA   ) 1.8 0.0 3.2 !
assign (resid   23 and  name HG#  )(resid   20 and  name HA   ) 1.8 0.0 2.7 !
assign (resid   16 and  name HA   )(resid   20 and  name HN   ) 1.8 0.0 2.7 !
assign (resid   17 and  name HA   )(resid   20 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   18 and  name HA   )(resid   20 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   18 and  name HG#  )(resid   20 and  name HN   ) 1.8 0.0 4.2 !
assign (resid   22 and  name HN   )(resid   20 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   18 and  name HA   )(resid   21 and  name HE   ) 1.8 0.0 2.7 !
assign (resid   17 and  name HA   )(resid   21 and  name HN   ) 1.8 0.0 2.7 !
assign (resid   18 and  name HA   )(resid   21 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   19 and  name HA   )(resid   21 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   23 and  name HN   )(resid   21 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   19 and  name HA   )(resid   22 and  name HE   ) 1.8 0.0 3.2 !
assign (resid   18 and  name HA   )(resid   22 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   19 and  name HA   )(resid   22 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   20 and  name HA   )(resid   22 and  name HN   ) 1.8 0.0 2.7 !
assign (resid   20 and  name HG2# )(resid   22 and  name HN   ) 1.8 0.0 3.7 !
assign (resid   20 and  name HG1# )(resid   23 and  name HN   ) 1.8 0.0 3.7 !
assign (resid   20 and  name HA   )(resid   23 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   21 and  name HA   )(resid   24 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   22 and  name HA   )(resid   24 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   23 and  name HG#  )(resid   25 and  name HA   ) 1.8 0.0 3.2 !

!!!intraNOE
assign (resid    2 and  name HB   )(resid    2 and  name HA   ) 1.8 0.0 1.7 !
assign (resid    2 and  name HD1# )(resid    2 and  name HA   ) 1.8 0.0 3.2 !
assign (resid    2 and  name HG1# )(resid    2 and  name HA   ) 1.8 0.0 2.2 !
assign (resid    2 and  name HG2# )(resid    2 and  name HA   ) 1.8 0.0 2.2 !
assign (resid    3 and  name HB#  )(resid    3 and  name HA   ) 1.8 0.0 1.2 !
assign (resid    3 and  name HA   )(resid    3 and  name HD2  ) 1.8 0.0 2.2 !
assign (resid    3 and  name HA   )(resid    3 and  name HN   ) 1.8 0.0 1.7 !
assign (resid    3 and  name HB#  )(resid    3 and  name HN   ) 1.8 0.0 2.2 !
assign (resid    4 and  name HB#  )(resid    4 and  name HA   ) 1.8 0.0 1.7 !
assign (resid    4 and  name HA   )(resid    4 and  name HD2  ) 1.8 0.0 2.2 !
assign (resid    4 and  name HB#  )(resid    4 and  name HD2  ) 1.8 0.0 2.2 !
assign (resid    4 and  name HA   )(resid    4 and  name HN   ) 1.8 0.0 2.2 !
assign (resid    4 and  name HB#  )(resid    4 and  name HN   ) 1.8 0.0 2.2 !
assign (resid    5 and  name HB   )(resid    5 and  name HA   ) 1.8 0.0 1.7 !
assign (resid    5 and  name HD1# )(resid    5 and  name HA   ) 1.8 0.0 3.2 !
assign (resid    5 and  name HG1# )(resid    5 and  name HA   ) 1.8 0.0 2.2 !
assign (resid    5 and  name HG2# )(resid    5 and  name HA   ) 1.8 0.0 2.2 !
assign (resid    5 and  name HA   )(resid    5 and  name HN   ) 1.8 0.0 1.7 !
assign (resid    5 and  name HB   )(resid    5 and  name HN   ) 1.8 0.0 2.2 !
assign (resid    5 and  name HD1# )(resid    5 and  name HN   ) 1.8 0.0 2.2 !
assign (resid    5 and  name HG1# )(resid    5 and  name HN   ) 1.8 0.0 1.7 !
assign (resid    5 and  name HG2# )(resid    5 and  name HN   ) 1.8 0.0 3.2 !
assign (resid    6 and  name HB   )(resid    6 and  name HA   ) 1.8 0.0 1.7 !
assign (resid    6 and  name HD1# )(resid    6 and  name HA   ) 1.8 0.0 3.2 !
assign (resid    6 and  name HG1# )(resid    6 and  name HA   ) 1.8 0.0 2.2 !
assign (resid    6 and  name HG2# )(resid    6 and  name HA   ) 1.8 0.0 2.2 !
assign (resid    6 and  name HA   )(resid    6 and  name HN   ) 1.8 0.0 1.7 !
assign (resid    6 and  name HB   )(resid    6 and  name HN   ) 1.8 0.0 2.2 !
assign (resid    6 and  name HD1# )(resid    6 and  name HN   ) 1.8 0.0 2.2 !
assign (resid    6 and  name HG1# )(resid    6 and  name HN   ) 1.8 0.0 1.7 !
assign (resid    6 and  name HG2# )(resid    6 and  name HN   ) 1.8 0.0 3.2 !
assign (resid    7 and  name HA1  )(resid    7 and  name HA2  ) 1.8 0.0 0.7 !
assign (resid    7 and  name HA#  )(resid    7 and  name HN   ) 1.8 0.0 1.7 !
assign (resid    8 and  name HA1  )(resid    8 and  name HA2  ) 1.8 0.0 0.7 !
assign (resid    8 and  name HA#  )(resid    8 and  name HN   ) 1.8 0.0 1.7 !
assign (resid    9 and  name HD#  )(resid    9 and  name HA   ) 1.8 0.0 4.2 !
assign (resid    9 and  name HG   )(resid    9 and  name HA   ) 1.8 0.0 1.7 !
assign (resid    9 and  name HB#  )(resid    9 and  name HA   ) 1.8 0.0 1.7 !
assign (resid    9 and  name HA   )(resid    9 and  name HN   ) 1.8 0.0 1.7 !
assign (resid    9 and  name HB#  )(resid    9 and  name HN   ) 1.8 0.0 2.2 !
assign (resid    9 and  name HD#  )(resid    9 and  name HN   ) 1.8 0.0 4.2 !
assign (resid    9 and  name HG   )(resid    9 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   10 and  name HB#  )(resid   10 and  name HA   ) 1.8 0.0 1.7 !
assign (resid   10 and  name HA   )(resid   10 and  name HD#  ) 1.8 0.0 2.2 !
assign (resid   10 and  name HB#  )(resid   10 and  name HD#  ) 1.8 0.0 3.2 !
assign (resid   10 and  name HA   )(resid   10 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   10 and  name HB#  )(resid   10 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   10 and  name HD#  )(resid   10 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   11 and  name HB#  )(resid   11 and  name HA   ) 1.8 0.0 1.7 !
assign (resid   11 and  name HB1  )(resid   11 and  name HB2  ) 1.8 0.0 0.7 !
assign (resid   11 and  name HA   )(resid   11 and  name HN   ) 1.8 0.0 1.2 !
assign (resid   11 and  name HB#  )(resid   11 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   12 and  name HB#  )(resid   12 and  name HA   ) 1.8 0.0 3.2 !
assign (resid   12 and  name HA   )(resid   12 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   12 and  name HB#  )(resid   12 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   13 and  name HA1  )(resid   13 and  name HA2  ) 1.8 0.0 0.7 !
assign (resid   13 and  name HA#  )(resid   13 and  name HN   ) 1.8 0.0 1.2 !
assign (resid   14 and  name HB#  )(resid   14 and  name HA   ) 1.8 0.0 1.2 !
assign (resid   14 and  name HD#  )(resid   14 and  name HA   ) 1.8 0.0 2.7 !
assign (resid   14 and  name HG#  )(resid   14 and  name HA   ) 1.8 0.0 2.2 !
assign (resid   14 and  name HG1  )(resid   14 and  name HG2  ) 1.8 0.0 0.7 !
assign (resid   14 and  name HB#  )(resid   14 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   14 and  name HD#  )(resid   14 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   14 and  name HG#  )(resid   14 and  name HA   ) 1.8 0.0 2.2 !
assign (resid   15 and  name HB#  )(resid   15 and  name HA   ) 1.8 0.0 3.2 !
assign (resid   15 and  name HA   )(resid   15 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   15 and  name HB#  )(resid   15 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   16 and  name HB   )(resid   16 and  name HA   ) 1.8 0.0 1.7 !
assign (resid   16 and  name HD1# )(resid   16 and  name HA   ) 1.8 0.0 2.2 !
assign (resid   16 and  name HG1# )(resid   16 and  name HA   ) 1.8 0.0 1.7 !
assign (resid   16 and  name HG2# )(resid   16 and  name HA   ) 1.8 0.0 2.2 !
assign (resid   16 and  name HG2# )(resid   16 and  name HG1# ) 1.8 0.0 4.2 !
assign (resid   16 and  name HA   )(resid   16 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   16 and  name HB   )(resid   16 and  name HN   ) 1.8 0.0 1.2 !
assign (resid   16 and  name HD1# )(resid   16 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   16 and  name HG1# )(resid   16 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   16 and  name HG2# )(resid   16 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   17 and  name HB#  )(resid   17 and  name HA   ) 1.8 0.0 1.2 !
assign (resid   17 and  name HA   )(resid   17 and  name HD2  ) 1.8 0.0 2.2 !
assign (resid   17 and  name HB#  )(resid   17 and  name HD2  ) 1.8 0.0 2.2 !
assign (resid   17 and  name HB#  )(resid   17 and  name HE1  ) 1.8 0.0 4.2 !
assign (resid   17 and  name HA   )(resid   17 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   17 and  name HB#  )(resid   17 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   18 and  name HG#  )(resid   18 and  name HA   ) 1.8 0.0 2.2 !
assign (resid   18 and  name HG#  )(resid   18 and  name HB#  ) 1.8 0.0 3.2 !
assign (resid   18 and  name HB#  )(resid   18 and  name HD#  ) 1.8 0.0 3.2 !
assign (resid   18 and  name HG#  )(resid   18 and  name HD#  ) 1.8 0.0 3.2 !
assign (resid   18 and  name HD#  )(resid   18 and  name HA   ) 1.8 0.0 3.2 !
assign (resid   18 and  name HA   )(resid   18 and  name HE   ) 1.8 0.0 2.2 !
assign (resid   18 and  name HB#  )(resid   18 and  name HE   ) 1.8 0.0 2.2 !
assign (resid   18 and  name HD#  )(resid   18 and  name HE   ) 1.8 0.0 1.2 !
assign (resid   18 and  name HG#  )(resid   18 and  name HE   ) 1.8 0.0 2.2 !
assign (resid   18 and  name HA   )(resid   18 and  name HN   ) 1.8 0.0 1.2 !
assign (resid   18 and  name HB#  )(resid   18 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   18 and  name HG#  )(resid   18 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   19 and  name HB#  )(resid   19 and  name HA   ) 1.8 0.0 1.7 !
assign (resid   19 and  name HD#  )(resid   19 and  name HA   ) 1.8 0.0 4.2 !
assign (resid   19 and  name HG   )(resid   19 and  name HA   ) 1.8 0.0 2.2 !
assign (resid   19 and  name HA   )(resid   19 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   19 and  name HD#  )(resid   19 and  name HN   ) 1.8 0.0 4.2 !
assign (resid   20 and  name HB   )(resid   20 and  name HA   ) 1.8 0.0 1.7 !
assign (resid   20 and  name HG1# )(resid   20 and  name HA   ) 1.8 0.0 2.2 !
assign (resid   20 and  name HG2# )(resid   20 and  name HA   ) 1.8 0.0 2.2 !
assign (resid   20 and  name HA   )(resid   20 and  name HN   ) 1.8 0.0 1.2 !
assign (resid   20 and  name HB   )(resid   20 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   20 and  name HD1# )(resid   20 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   20 and  name HG1# )(resid   20 and  name HN   ) 1.8 0.0 2.7 !
assign (resid   20 and  name HG2# )(resid   20 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   21 and  name HB#  )(resid   21 and  name HA   ) 1.8 0.0 1.7 !
assign (resid   21 and  name HD#  )(resid   21 and  name HA   ) 1.8 0.0 2.7 !
assign (resid   21 and  name HB#  )(resid   21 and  name HD#  ) 1.8 0.0 3.2 !
assign (resid   21 and  name HG#  )(resid   21 and  name HD#  ) 1.8 0.0 3.2 !
assign (resid   21 and  name HB#  )(resid   21 and  name HE   ) 1.8 0.0 3.2 !
assign (resid   21 and  name HD#  )(resid   21 and  name HE   ) 1.8 0.0 1.7 !
assign (resid   21 and  name HG#  )(resid   21 and  name HE   ) 1.8 0.0 1.7 !
assign (resid   21 and  name HA   )(resid   21 and  name HN   ) 1.8 0.0 1.2 !
assign (resid   21 and  name HB#  )(resid   21 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   21 and  name HD#  )(resid   21 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   21 and  name HG#  )(resid   21 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   22 and  name HB#  )(resid   22 and  name HA   ) 1.8 0.0 1.7 !
assign (resid   22 and  name HD#  )(resid   22 and  name HA   ) 1.8 0.0 2.7 !
assign (resid   22 and  name HG#  )(resid   22 and  name HA   ) 1.8 0.0 2.2 !
assign (resid   22 and  name HA   )(resid   22 and  name HE   ) 1.8 0.0 2.7 !
assign (resid   22 and  name HB#  )(resid   22 and  name HE   ) 1.8 0.0 2.2 !
assign (resid   22 and  name HD#  )(resid   22 and  name HE   ) 1.8 0.0 1.2 !
assign (resid   22 and  name HG#  )(resid   22 and  name HE   ) 1.8 0.0 1.7 !
assign (resid   22 and  name HA   )(resid   22 and  name HN   ) 1.8 0.0 1.2 !
assign (resid   22 and  name HB#  )(resid   22 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   22 and  name HD#  )(resid   22 and  name HN   ) 1.8 0.0 2.7 !
assign (resid   22 and  name HG#  )(resid   22 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   23 and  name HB#  )(resid   23 and  name HA   ) 1.8 0.0 1.2 !
assign (resid   23 and  name HD#  )(resid   23 and  name HA   ) 1.8 0.0 2.2 !
assign (resid   23 and  name HG#  )(resid   23 and  name HA   ) 1.8 0.0 2.2 !
assign (resid   23 and  name HA   )(resid   23 and  name HE   ) 1.8 0.0 2.7 !
assign (resid   23 and  name HB#  )(resid   23 and  name HE   ) 1.8 0.0 2.7 !
assign (resid   23 and  name HD#  )(resid   23 and  name HE   ) 1.8 0.0 1.2 !
assign (resid   23 and  name HG#  )(resid   23 and  name HE   ) 1.8 0.0 1.7 !
assign (resid   23 and  name HA   )(resid   23 and  name HN   ) 1.8 0.0 1.7 !
assign (resid   23 and  name HB#  )(resid   23 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   23 and  name HD#  )(resid   23 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   23 and  name HG#  )(resid   23 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   24 and  name HB#  )(resid   24 and  name HA   ) 1.8 0.0 1.7 !
assign (resid   24 and  name HD#  )(resid   24 and  name HA   ) 1.8 0.0 3.2 !
assign (resid   24 and  name HG#  )(resid   24 and  name HA   ) 1.8 0.0 2.2 !
assign (resid   24 and  name HA   )(resid   24 and  name HE   ) 1.8 0.0 3.2 !
assign (resid   24 and  name HB#  )(resid   24 and  name HE   ) 1.8 0.0 2.2 !
assign (resid   24 and  name HD#  )(resid   24 and  name HE   ) 1.8 0.0 1.7 !
assign (resid   24 and  name HG#  )(resid   24 and  name HE   ) 1.8 0.0 2.2 !
assign (resid   24 and  name HA   )(resid   24 and  name HN   ) 1.8 0.0 1.2 !
assign (resid   24 and  name HB#  )(resid   24 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   24 and  name HD#  )(resid   24 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   24 and  name HG#  )(resid   24 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   25 and  name HB#  )(resid   25 and  name HA   ) 1.8 0.0 3.2 !
assign (resid   25 and  name HD#  )(resid   25 and  name HA   ) 1.8 0.0 3.2 !
assign (resid   25 and  name HD#  )(resid   25 and  name HE   ) 1.8 0.0 2.2 !
assign (resid   25 and  name HA   )(resid   25 and  name HN   ) 1.8 0.0 1.2 !
assign (resid   25 and  name HB#  )(resid   25 and  name HN   ) 1.8 0.0 2.2 !
assign (resid   25 and  name HD#  )(resid   25 and  name HN   ) 1.8 0.0 3.2 !
assign (resid   25 and  name HG#  )(resid   25 and  name HN   ) 1.8 0.0 2.2 !

!hydrogen bond (TP4_DPC_D2O.20151124 and TP4_DPC.20151208)
assign (resid   24 and  name HN   )(resid   21 and  name O    ) 1.8 0.0 0.6 !
assign (resid   24 and  name N    )(resid   21 and  name O    ) 2.8 0.0 0.6 !
assign (resid   23 and  name HN   )(resid   19 and  name O    ) 1.8 0.0 0.6 !
assign (resid   23 and  name N    )(resid   19 and  name O    ) 2.8 0.0 0.6 !
assign (resid   22 and  name HN   )(resid   18 and  name O    ) 1.8 0.0 0.6 !
assign (resid   22 and  name N    )(resid   18 and  name O    ) 2.8 0.0 0.6 !
assign (resid   15 and  name HN   )(resid   12 and  name O    ) 1.8 0.0 0.6 !
assign (resid   15 and  name N    )(resid   12 and  name O    ) 2.8 0.0 0.6 !
assign (resid   20 and  name HN   )(resid   16 and  name O    ) 1.8 0.0 0.6 !
assign (resid   20 and  name N    )(resid   16 and  name O    ) 2.8 0.0 0.6 !
assign (resid   19 and  name HN   )(resid   15 and  name O    ) 1.8 0.0 0.6 !
assign (resid   19 and  name N    )(resid   15 and  name O    ) 2.8 0.0 0.6 !
assign (resid   16 and  name HN   )(resid   13 and  name O    ) 1.8 0.0 0.6 !
assign (resid   16 and  name N    )(resid   13 and  name O    ) 2.8 0.0 0.6 !


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1           H1       PHE   1  45.763   6.151  16.255
    2    H2   PHE   1           H2       PHE   1  46.736   7.452  16.753
    3    H3   PHE   1           H3       PHE   1  45.802   7.577  15.338
    4    HA   PHE   1           HA       PHE   1  43.801   7.180  16.867
    5    HB2  PHE   1           HB3      PHE   1  45.904   8.159  18.824
    6    HB3  PHE   1           HB2      PHE   1  44.184   7.974  19.168
    7    HD1  PHE   1           HD1      PHE   1  47.237   6.098  18.129
    8    HD2  PHE   1           HD2      PHE   1  43.285   5.867  19.797
    9    HE1  PHE   1           HE1      PHE   1  47.609   3.710  18.680
   10    HE2  PHE   1           HE2      PHE   1  43.658   3.478  20.348
   11    HZ   PHE   1           HZ       PHE   1  45.820   2.399  19.789
   12    H    ILE   2           HN       ILE   2  45.140   8.947  14.894
   13    HA   ILE   2           HA       ILE   2  44.933  11.655  15.974
   14    HB   ILE   2           HB       ILE   2  45.143  10.743  13.088
   15   HG12  ILE   2          HG13      ILE   2  47.280  11.494  15.105
   16   HG13  ILE   2          HG12      ILE   2  47.002   9.887  14.435
   17   HG21  ILE   2          HG21      ILE   2  44.413  13.196  13.745
   18   HG22  ILE   2          HG22      ILE   2  45.669  12.963  12.537
   19   HG23  ILE   2          HG23      ILE   2  46.105  13.380  14.193
   20   HD11  ILE   2          HD11      ILE   2  47.383  10.893  12.138
   21   HD12  ILE   2          HD12      ILE   2  48.807  10.853  13.178
   22   HD13  ILE   2          HD13      ILE   2  47.919  12.361  12.954
   23    H    HIS   3           HN       HIS   3  43.435  11.112  12.876
   24    HA   HIS   3           HA       HIS   3  40.713  11.147  13.958
   25    HB2  HIS   3           HB3      HIS   3  40.127  13.302  12.924
   26    HB3  HIS   3           HB2      HIS   3  41.366  13.504  14.158
   27    HD1  HIS   3           HD1      HIS   3  41.164  15.652  12.034
   28    HD2  HIS   3           HD2      HIS   3  43.618  12.306  11.582
   29    HE1  HIS   3           HE1      HIS   3  42.948  16.280  10.350
   30    HE2  HIS   3           HE2      HIS   3  44.426  14.247  10.053
   31    H    HIS   4           HN       HIS   4  42.936  10.700  11.419
   32    HA   HIS   4           HA       HIS   4  40.752  10.181   9.440
   33    HB2  HIS   4           HB3      HIS   4  42.411  10.367   7.720
   34    HB3  HIS   4           HB2      HIS   4  42.667  11.729   8.808
   35    HD1  HIS   4           HD1      HIS   4  45.032  12.018   9.551
   36    HD2  HIS   4           HD2      HIS   4  44.202   8.066   8.525
   37    HE1  HIS   4           HE1      HIS   4  47.213  10.747   9.787
   38    HE2  HIS   4           HE2      HIS   4  46.720   8.335   9.165
   39    H    ILE   5           HN       ILE   5  42.924   8.695  11.585
   40    HA   ILE   5           HA       ILE   5  43.087   6.176  10.089
   41    HB   ILE   5           HB       ILE   5  44.440   5.375  11.854
   42   HG12  ILE   5          HG13      ILE   5  42.984   5.868  13.771
   43   HG13  ILE   5          HG12      ILE   5  44.599   6.491  14.070
   44   HG21  ILE   5          HG21      ILE   5  45.489   7.196  10.578
   45   HG22  ILE   5          HG22      ILE   5  46.058   7.192  12.247
   46   HG23  ILE   5          HG23      ILE   5  44.859   8.376  11.727
   47   HD11  ILE   5          HD11      ILE   5  43.030   8.187  14.745
   48   HD12  ILE   5          HD12      ILE   5  42.176   8.079  13.215
   49   HD13  ILE   5          HD13      ILE   5  43.802   8.746  13.264
   50    H    ILE   6           HN       ILE   6  40.727   7.745  11.847
   51    HA   ILE   6           HA       ILE   6  39.567   5.330  13.077
   52    HB   ILE   6           HB       ILE   6  37.605   7.161  13.377
   53   HG12  ILE   6          HG13      ILE   6  40.048   8.936  13.319
   54   HG13  ILE   6          HG12      ILE   6  39.047   8.735  11.886
   55   HG21  ILE   6          HG21      ILE   6  40.210   7.008  14.906
   56   HG22  ILE   6          HG22      ILE   6  38.703   6.162  15.262
   57   HG23  ILE   6          HG23      ILE   6  38.804   7.909  15.474
   58   HD11  ILE   6          HD11      ILE   6  38.459  10.700  13.406
   59   HD12  ILE   6          HD12      ILE   6  37.893   9.501  14.569
   60   HD13  ILE   6          HD13      ILE   6  37.129   9.622  12.983
   61    H    GLY   7           HN       GLY   7  38.543   7.685  10.584
   62    HA2  GLY   7           HA3      GLY   7  36.320   6.176   9.655
   63    HA3  GLY   7           HA2      GLY   7  37.203   7.362   8.685
   64    H    GLY   8           HN       GLY   8  39.454   5.288   9.750
   65    HA2  GLY   8           HA3      GLY   8  39.573   3.862   7.163
   66    HA3  GLY   8           HA2      GLY   8  40.829   3.861   8.408
   67    H    LEU   9           HN       LEU   9  39.142   3.187  10.600
   68    HA   LEU   9           HA       LEU   9  38.176   0.439   9.900
   69    HB2  LEU   9           HB3      LEU   9  39.047  -0.059  12.357
   70    HB3  LEU   9           HB2      LEU   9  40.150  -0.157  10.989
   71    HG   LEU   9           HG       LEU   9  39.850   2.530  12.288
   72   HD11  LEU   9          HD11      LEU   9  41.646   1.862  13.956
   73   HD12  LEU   9          HD12      LEU   9  41.273   0.183  13.566
   74   HD13  LEU   9          HD13      LEU   9  40.038   1.216  14.285
   75   HD21  LEU   9          HD21      LEU   9  41.361   2.259  10.380
   76   HD22  LEU   9          HD22      LEU   9  42.193   0.933  11.192
   77   HD23  LEU   9          HD23      LEU   9  42.311   2.571  11.831
   78    H    PHE  10           HN       PHE  10  38.057   3.236  12.054
   79    HA   PHE  10           HA       PHE  10  36.079   2.575  13.860
   80    HB2  PHE  10           HB3      PHE  10  37.314   4.813  13.449
   81    HB3  PHE  10           HB2      PHE  10  36.001   5.181  12.328
   82    HD1  PHE  10           HD1      PHE  10  34.007   6.106  13.147
   83    HD2  PHE  10           HD2      PHE  10  36.622   4.010  15.834
   84    HE1  PHE  10           HE1      PHE  10  32.569   6.767  15.060
   85    HE2  PHE  10           HE2      PHE  10  35.184   4.670  17.748
   86    HZ   PHE  10           HZ       PHE  10  33.158   6.048  17.359
   87    H    SER  11           HN       SER  11  35.713   3.188  10.414
   88    HA   SER  11           HA       SER  11  32.886   3.485  10.319
   89    HB2  SER  11           HB3      SER  11  34.213   3.954   8.347
   90    HB3  SER  11           HB2      SER  11  34.828   2.299   8.313
   91    HG   SER  11           HG       SER  11  32.311   3.315   7.624
   92    H    ALA  12           HN       ALA  12  34.914   0.555  10.123
   93    HA   ALA  12           HA       ALA  12  32.514  -1.160  10.154
   94    HB1  ALA  12           HB1      ALA  12  34.070  -3.020  10.014
   95    HB2  ALA  12           HB2      ALA  12  35.430  -1.958  10.376
   96    HB3  ALA  12           HB3      ALA  12  34.565  -1.794   8.848
   97    H    GLY  13           HN       GLY  13  35.019   0.004  12.319
   98    HA2  GLY  13           HA3      GLY  13  34.716  -1.760  14.487
   99    HA3  GLY  13           HA2      GLY  13  35.069  -0.033  14.672
  100    H    LYS  14           HN       LYS  14  32.783   1.055  13.540
  101    HA   LYS  14           HA       LYS  14  30.919   1.034  15.699
  102    HB2  LYS  14           HB3      LYS  14  30.672   1.843  12.794
  103    HB3  LYS  14           HB2      LYS  14  29.335   2.022  13.932
  104    HG2  LYS  14           HG3      LYS  14  30.515   3.572  15.269
  105    HG3  LYS  14           HG2      LYS  14  32.075   3.122  14.572
  106    HD2  LYS  14           HD3      LYS  14  31.377   5.272  13.659
  107    HD3  LYS  14           HD2      LYS  14  31.325   4.055  12.384
  108    HE2  LYS  14           HE3      LYS  14  28.952   3.878  12.510
  109    HE3  LYS  14           HE2      LYS  14  28.895   4.758  14.037
  110    HZ1  LYS  14           HZ1      LYS  14  30.183   6.432  12.285
  111    HZ2  LYS  14           HZ2      LYS  14  28.583   6.579  12.837
  112    HZ3  LYS  14           HZ3      LYS  14  28.911   5.770  11.379
  113    H    ALA  15           HN       ALA  15  30.842  -0.615  12.546
  114    HA   ALA  15           HA       ALA  15  28.387  -2.014  12.871
  115    HB1  ALA  15           HB1      ALA  15  30.877  -2.977  11.444
  116    HB2  ALA  15           HB2      ALA  15  29.682  -1.888  10.741
  117    HB3  ALA  15           HB3      ALA  15  29.229  -3.538  11.168
  118    H    ILE  16           HN       ILE  16  31.705  -2.813  13.880
  119    HA   ILE  16           HA       ILE  16  30.873  -5.430  14.871
  120    HB   ILE  16           HB       ILE  16  33.395  -3.769  15.049
  121   HG12  ILE  16          HG13      ILE  16  34.350  -5.953  14.164
  122   HG13  ILE  16          HG12      ILE  16  32.693  -6.532  14.021
  123   HG21  ILE  16          HG21      ILE  16  32.702  -6.177  16.747
  124   HG22  ILE  16          HG22      ILE  16  33.316  -4.613  17.282
  125   HG23  ILE  16          HG23      ILE  16  34.370  -5.719  16.403
  126   HD11  ILE  16          HD11      ILE  16  32.158  -4.670  12.510
  127   HD12  ILE  16          HD12      ILE  16  33.528  -5.585  11.888
  128   HD13  ILE  16          HD13      ILE  16  33.795  -4.039  12.692
  129    H    HIS  17           HN       HIS  17  31.118  -2.169  16.023
  130    HA   HIS  17           HA       HIS  17  30.786  -2.842  18.828
  131    HB2  HIS  17           HB3      HIS  17  31.206  -0.620  19.111
  132    HB3  HIS  17           HB2      HIS  17  31.309  -0.473  17.371
  133    HD1  HIS  17           HD1      HIS  17  29.299   0.598  16.138
  134    HD2  HIS  17           HD2      HIS  17  28.667   0.090  20.222
  135    HE1  HIS  17           HE1      HIS  17  27.196   1.884  16.693
  136    HE2  HIS  17           HE2      HIS  17  26.805   1.602  19.186
  137    H    ARG  18           HN       ARG  18  28.816  -3.027  16.136
  138    HA   ARG  18           HA       ARG  18  26.291  -2.629  17.659
  139    HB2  ARG  18           HB3      ARG  18  26.902  -3.111  14.740
  140    HB3  ARG  18           HB2      ARG  18  25.268  -3.230  15.392
  141    HG2  ARG  18           HG3      ARG  18  25.347  -0.947  16.179
  142    HG3  ARG  18           HG2      ARG  18  27.049  -0.808  15.744
  143    HD2  ARG  18           HD3      ARG  18  25.139   0.108  14.114
  144    HD3  ARG  18           HD2      ARG  18  26.597  -0.642  13.469
  145    HE   ARG  18           HE       ARG  18  24.551  -2.617  13.952
  146   HH11  ARG  18          HH11      ARG  18  23.547  -3.503  12.132
  147   HH12  ARG  18          HH12      ARG  18  23.662  -2.682  10.611
  148   HH21  ARG  18          HH21      ARG  18  25.579  -0.076  11.861
  149   HH22  ARG  18          HH22      ARG  18  24.813  -0.743  10.458
  150    H    LEU  19           HN       LEU  19  28.389  -5.078  16.364
  151    HA   LEU  19           HA       LEU  19  26.589  -7.299  16.507
  152    HB2  LEU  19           HB3      LEU  19  28.558  -7.850  15.383
  153    HB3  LEU  19           HB2      LEU  19  29.560  -6.890  16.462
  154    HG   LEU  19           HG       LEU  19  29.321  -8.634  18.221
  155   HD11  LEU  19          HD11      LEU  19  27.062  -9.460  17.273
  156   HD12  LEU  19          HD12      LEU  19  28.192 -10.699  17.810
  157   HD13  LEU  19          HD13      LEU  19  28.017 -10.351  16.091
  158   HD21  LEU  19          HD21      LEU  19  30.834 -10.181  17.229
  159   HD22  LEU  19          HD22      LEU  19  31.125  -8.647  16.409
  160   HD23  LEU  19          HD23      LEU  19  30.177  -9.905  15.616
  161    H    ILE  20           HN       ILE  20  28.686  -5.682  18.852
  162    HA   ILE  20           HA       ILE  20  28.127  -7.535  21.019
  163    HB   ILE  20           HB       ILE  20  29.868  -6.348  21.909
  164   HG12  ILE  20          HG13      ILE  20  28.012  -3.936  21.988
  165   HG13  ILE  20          HG12      ILE  20  28.083  -5.186  23.229
  166   HG21  ILE  20          HG21      ILE  20  30.739  -4.335  20.793
  167   HG22  ILE  20          HG22      ILE  20  29.247  -4.224  19.876
  168   HG23  ILE  20          HG23      ILE  20  30.326  -5.583  19.622
  169   HD11  ILE  20          HD11      ILE  20  30.594  -4.627  23.375
  170   HD12  ILE  20          HD12      ILE  20  29.469  -3.440  24.038
  171   HD13  ILE  20          HD13      ILE  20  30.197  -3.177  22.453
  172    H    ARG  21           HN       ARG  21  26.812  -4.357  20.132
  173    HA   ARG  21           HA       ARG  21  24.921  -4.156  22.212
  174    HB2  ARG  21           HB3      ARG  21  24.774  -3.167  19.356
  175    HB3  ARG  21           HB2      ARG  21  23.637  -2.696  20.621
  176    HG2  ARG  21           HG3      ARG  21  25.433  -1.750  21.954
  177    HG3  ARG  21           HG2      ARG  21  26.636  -2.329  20.807
  178    HD2  ARG  21           HD3      ARG  21  26.274  -0.013  20.319
  179    HD3  ARG  21           HD2      ARG  21  25.471  -0.933  19.046
  180    HE   ARG  21           HE       ARG  21  23.385  -0.193  19.884
  181   HH11  ARG  21          HH11      ARG  21  22.133   1.100  21.250
  182   HH12  ARG  21          HH12      ARG  21  22.861   1.819  22.648
  183   HH21  ARG  21          HH21      ARG  21  25.995   0.466  22.038
  184   HH22  ARG  21          HH22      ARG  21  25.048   1.461  23.094
  185    H    ARG  22           HN       ARG  22  24.766  -5.800  19.104
  186    HA   ARG  22           HA       ARG  22  22.003  -6.641  19.417
  187    HB2  ARG  22           HB3      ARG  22  24.285  -7.500  17.630
  188    HB3  ARG  22           HB2      ARG  22  22.760  -8.387  17.643
  189    HG2  ARG  22           HG3      ARG  22  21.536  -6.335  17.083
  190    HG3  ARG  22           HG2      ARG  22  23.041  -5.414  17.114
  191    HD2  ARG  22           HD3      ARG  22  22.263  -6.133  14.806
  192    HD3  ARG  22           HD2      ARG  22  23.910  -6.607  15.225
  193    HE   ARG  22           HE       ARG  22  22.067  -8.694  15.947
  194   HH11  ARG  22          HH11      ARG  22  22.015 -10.531  14.630
  195   HH12  ARG  22          HH12      ARG  22  22.679 -10.454  13.032
  196   HH21  ARG  22          HH21      ARG  22  23.616  -7.125  13.296
  197   HH22  ARG  22          HH22      ARG  22  23.582  -8.525  12.276
  198    H    ARG  23           HN       ARG  23  24.993  -7.553  20.761
  199    HA   ARG  23           HA       ARG  23  24.032 -10.266  21.521
  200    HB2  ARG  23           HB3      ARG  23  26.428  -9.738  20.644
  201    HB3  ARG  23           HB2      ARG  23  26.713  -9.078  22.252
  202    HG2  ARG  23           HG3      ARG  23  27.357 -11.282  22.620
  203    HG3  ARG  23           HG2      ARG  23  25.650 -11.405  23.033
  204    HD2  ARG  23           HD3      ARG  23  25.280 -11.985  20.542
  205    HD3  ARG  23           HD2      ARG  23  27.022 -12.241  20.477
  206    HE   ARG  23           HE       ARG  23  26.041 -13.702  22.695
  207   HH11  ARG  23          HH11      ARG  23  25.651 -15.916  22.482
  208   HH12  ARG  23          HH12      ARG  23  25.407 -16.591  20.905
  209   HH21  ARG  23          HH21      ARG  23  25.777 -13.559  19.261
  210   HH22  ARG  23          HH22      ARG  23  25.477 -15.255  19.081
  211    H    ARG  24           HN       ARG  24  22.950  -7.676  22.659
  212    HA   ARG  24           HA       ARG  24  23.949  -7.257  25.287
  213    HB2  ARG  24           HB3      ARG  24  21.291  -6.812  23.941
  214    HB3  ARG  24           HB2      ARG  24  21.383  -6.649  25.695
  215    HG2  ARG  24           HG3      ARG  24  23.025  -4.915  25.543
  216    HG3  ARG  24           HG2      ARG  24  23.290  -5.221  23.828
  217    HD2  ARG  24           HD3      ARG  24  20.727  -4.177  25.069
  218    HD3  ARG  24           HD2      ARG  24  21.883  -3.229  24.133
  219    HE   ARG  24           HE       ARG  24  21.201  -5.285  22.416
  220   HH11  ARG  24          HH11      ARG  24  19.462  -5.148  20.976
  221   HH12  ARG  24          HH12      ARG  24  18.137  -4.092  21.337
  222   HH21  ARG  24          HH21      ARG  24  19.491  -2.982  24.330
  223   HH22  ARG  24          HH22      ARG  24  18.152  -2.869  23.237
  224    H    ARG  25           HN       ARG  25  24.471  -9.359  26.054
  225    HA   ARG  25           HA       ARG  25  22.711 -11.566  26.204
  226    HB2  ARG  25           HB3      ARG  25  24.899 -10.785  28.155
  227    HB3  ARG  25           HB2      ARG  25  24.187 -12.390  27.998
  228    HG2  ARG  25           HG3      ARG  25  24.906 -12.342  25.558
  229    HG3  ARG  25           HG2      ARG  25  25.839 -10.896  25.949
  230    HD2  ARG  25           HD3      ARG  25  27.338 -12.763  26.152
  231    HD3  ARG  25           HD2      ARG  25  26.951 -12.242  27.791
  232    HE   ARG  25           HE       ARG  25  25.067 -14.229  27.111
  233   HH11  ARG  25          HH11      ARG  25  25.398 -16.368  27.763
  234   HH12  ARG  25          HH12      ARG  25  27.001 -16.904  28.145
  235   HH21  ARG  25          HH21      ARG  25  28.472 -13.835  27.487
  236   HH22  ARG  25          HH22      ARG  25  28.739 -15.472  27.987
  Start of MODEL    2
    1    H1   PHE   1           H1       PHE   1  45.782   6.988  17.879
    2    H2   PHE   1           H2       PHE   1  45.015   7.098  16.367
    3    H3   PHE   1           H3       PHE   1  44.819   5.708  17.324
    4    HA   PHE   1           HA       PHE   1  42.842   6.852  17.653
    5    HB2  PHE   1           HB3      PHE   1  44.726   7.764  19.850
    6    HB3  PHE   1           HB2      PHE   1  42.972   7.645  19.974
    7    HD1  PHE   1           HD1      PHE   1  46.078   5.669  19.421
    8    HD2  PHE   1           HD2      PHE   1  41.908   5.565  20.444
    9    HE1  PHE   1           HE1      PHE   1  46.292   3.280  20.055
   10    HE2  PHE   1           HE2      PHE   1  42.122   3.177  21.076
   11    HZ   PHE   1           HZ       PHE   1  44.315   2.035  20.882
   12    H    ILE   2           HN       ILE   2  44.635   8.551  15.909
   13    HA   ILE   2           HA       ILE   2  44.396  11.260  16.935
   14    HB   ILE   2           HB       ILE   2  44.875  10.349  14.081
   15   HG12  ILE   2          HG13      ILE   2  46.880  11.013  16.259
   16   HG13  ILE   2          HG12      ILE   2  46.487   9.379  15.723
   17   HG21  ILE   2          HG21      ILE   2  44.243  12.840  14.720
   18   HG22  ILE   2          HG22      ILE   2  45.590  12.536  13.630
   19   HG23  ILE   2          HG23      ILE   2  45.894  12.899  15.328
   20   HD11  ILE   2          HD11      ILE   2  47.105  10.160  13.366
   21   HD12  ILE   2          HD12      ILE   2  48.441   9.991  14.504
   22   HD13  ILE   2          HD13      ILE   2  47.796  11.590  14.133
   23    H    HIS   3           HN       HIS   3  43.263  10.924  13.684
   24    HA   HIS   3           HA       HIS   3  40.428  11.001  14.431
   25    HB2  HIS   3           HB3      HIS   3  40.044  13.212  13.400
   26    HB3  HIS   3           HB2      HIS   3  41.100  13.323  14.804
   27    HD1  HIS   3           HD1      HIS   3  41.307  15.582  12.849
   28    HD2  HIS   3           HD2      HIS   3  43.610  12.124  12.437
   29    HE1  HIS   3           HE1      HIS   3  43.316  16.211  11.442
   30    HE2  HIS   3           HE2      HIS   3  44.709  14.113  11.173
   31    H    HIS   4           HN       HIS   4  42.921  10.509  12.196
   32    HA   HIS   4           HA       HIS   4  40.990  10.139   9.934
   33    HB2  HIS   4           HB3      HIS   4  42.823  10.365   8.435
   34    HB3  HIS   4           HB2      HIS   4  43.044  11.639   9.630
   35    HD1  HIS   4           HD1      HIS   4  45.338  11.739  10.608
   36    HD2  HIS   4           HD2      HIS   4  44.399   7.913   9.251
   37    HE1  HIS   4           HE1      HIS   4  47.418  10.330  10.952
   38    HE2  HIS   4           HE2      HIS   4  46.861   7.997  10.123
   39    H    ILE   5           HN       ILE   5  42.862   8.520  12.273
   40    HA   ILE   5           HA       ILE   5  43.115   6.042  10.725
   41    HB   ILE   5           HB       ILE   5  44.228   5.144  12.608
   42   HG12  ILE   5          HG13      ILE   5  42.581   5.600  14.359
   43   HG13  ILE   5          HG12      ILE   5  44.150   6.210  14.866
   44   HG21  ILE   5          HG21      ILE   5  45.455   6.990  11.529
   45   HG22  ILE   5          HG22      ILE   5  45.839   6.889  13.247
   46   HG23  ILE   5          HG23      ILE   5  44.734   8.134  12.663
   47   HD11  ILE   5          HD11      ILE   5  43.455   8.483  14.011
   48   HD12  ILE   5          HD12      ILE   5  42.518   7.900  15.384
   49   HD13  ILE   5          HD13      ILE   5  41.846   7.820  13.767
   50    H    ILE   6           HN       ILE   6  40.583   7.643  12.090
   51    HA   ILE   6           HA       ILE   6  39.188   5.244  13.128
   52    HB   ILE   6           HB       ILE   6  37.293   7.166  13.262
   53   HG12  ILE   6          HG13      ILE   6  39.790   8.820  13.633
   54   HG13  ILE   6          HG12      ILE   6  39.026   8.714  12.053
   55   HG21  ILE   6          HG21      ILE   6  38.092   6.022  15.219
   56   HG22  ILE   6          HG22      ILE   6  38.232   7.752  15.531
   57   HG23  ILE   6          HG23      ILE   6  39.664   6.814  15.108
   58   HD11  ILE   6          HD11      ILE   6  37.001   9.663  12.856
   59   HD12  ILE   6          HD12      ILE   6  38.284  10.651  13.552
   60   HD13  ILE   6          HD13      ILE   6  37.474   9.434  14.538
   61    H    GLY   7           HN       GLY   7  38.573   7.759  10.658
   62    HA2  GLY   7           HA3      GLY   7  36.436   6.384   9.378
   63    HA3  GLY   7           HA2      GLY   7  37.452   7.606   8.603
   64    H    GLY   8           HN       GLY   8  39.460   5.319   9.810
   65    HA2  GLY   8           HA3      GLY   8  39.804   4.049   7.141
   66    HA3  GLY   8           HA2      GLY   8  40.984   4.024   8.457
   67    H    LEU   9           HN       LEU   9  38.992   3.319  10.473
   68    HA   LEU   9           HA       LEU   9  38.210   0.551   9.657
   69    HB2  LEU   9           HB3      LEU   9  38.991  -0.258  11.883
   70    HB3  LEU   9           HB2      LEU   9  40.306   0.328  10.869
   71    HG   LEU   9           HG       LEU   9  39.617   2.648  12.192
   72   HD11  LEU   9          HD11      LEU   9  39.149   2.227  14.488
   73   HD12  LEU   9          HD12      LEU   9  39.436   0.496  14.309
   74   HD13  LEU   9          HD13      LEU   9  38.003   1.229  13.596
   75   HD21  LEU   9          HD21      LEU   9  41.596   2.224  13.614
   76   HD22  LEU   9          HD22      LEU   9  41.897   1.744  11.944
   77   HD23  LEU   9          HD23      LEU   9  41.552   0.519  13.164
   78    H    PHE  10           HN       PHE  10  37.808   3.312  11.800
   79    HA   PHE  10           HA       PHE  10  35.749   2.569  13.479
   80    HB2  PHE  10           HB3      PHE  10  36.886   4.847  13.173
   81    HB3  PHE  10           HB2      PHE  10  35.707   5.147  11.894
   82    HD1  PHE  10           HD1      PHE  10  33.693   6.175  12.496
   83    HD2  PHE  10           HD2      PHE  10  35.850   3.893  15.427
   84    HE1  PHE  10           HE1      PHE  10  32.024   6.812  14.219
   85    HE2  PHE  10           HE2      PHE  10  34.179   4.529  17.151
   86    HZ   PHE  10           HZ       PHE  10  32.267   5.989  16.546
   87    H    SER  11           HN       SER  11  35.628   2.911  10.004
   88    HA   SER  11           HA       SER  11  32.805   3.191   9.675
   89    HB2  SER  11           HB3      SER  11  33.197   2.302   7.395
   90    HB3  SER  11           HB2      SER  11  34.397   3.522   7.823
   91    HG   SER  11           HG       SER  11  34.679   0.822   7.364
   92    H    ALA  12           HN       ALA  12  34.832   0.235   9.583
   93    HA   ALA  12           HA       ALA  12  32.434  -1.459   9.701
   94    HB1  ALA  12           HB1      ALA  12  34.291  -2.357   8.451
   95    HB2  ALA  12           HB2      ALA  12  34.138  -3.317   9.922
   96    HB3  ALA  12           HB3      ALA  12  35.396  -2.086   9.799
   97    H    GLY  13           HN       GLY  13  34.934  -0.231  11.842
   98    HA2  GLY  13           HA3      GLY  13  34.591  -1.882  14.082
   99    HA3  GLY  13           HA2      GLY  13  34.942  -0.150  14.195
  100    H    LYS  14           HN       LYS  14  32.652   0.871  12.983
  101    HA   LYS  14           HA       LYS  14  30.780   0.992  15.123
  102    HB2  LYS  14           HB3      LYS  14  30.564   1.581  12.165
  103    HB3  LYS  14           HB2      LYS  14  29.184   1.791  13.245
  104    HG2  LYS  14           HG3      LYS  14  30.242   3.492  14.480
  105    HG3  LYS  14           HG2      LYS  14  31.854   3.024  13.930
  106    HD2  LYS  14           HD3      LYS  14  30.999   5.122  12.850
  107    HD3  LYS  14           HD2      LYS  14  31.392   3.847  11.697
  108    HE2  LYS  14           HE3      LYS  14  29.105   3.304  11.353
  109    HE3  LYS  14           HE2      LYS  14  28.595   4.205  12.780
  110    HZ1  LYS  14           HZ1      LYS  14  28.131   5.440  10.764
  111    HZ2  LYS  14           HZ2      LYS  14  29.768   5.372  10.313
  112    HZ3  LYS  14           HZ3      LYS  14  29.299   6.247  11.692
  113    H    ALA  15           HN       ALA  15  30.670  -0.883  12.097
  114    HA   ALA  15           HA       ALA  15  28.241  -2.275  12.582
  115    HB1  ALA  15           HB1      ALA  15  29.325  -2.364  10.401
  116    HB2  ALA  15           HB2      ALA  15  29.174  -4.002  11.039
  117    HB3  ALA  15           HB3      ALA  15  30.727  -3.170  11.102
  118    H    ILE  16           HN       ILE  16  31.594  -2.992  13.547
  119    HA   ILE  16           HA       ILE  16  30.799  -5.527  14.754
  120    HB   ILE  16           HB       ILE  16  33.321  -3.839  14.886
  121   HG12  ILE  16          HG13      ILE  16  34.227  -6.092  13.938
  122   HG13  ILE  16          HG12      ILE  16  32.538  -6.477  13.628
  123   HG21  ILE  16          HG21      ILE  16  33.244  -4.782  17.068
  124   HG22  ILE  16          HG22      ILE  16  34.276  -5.873  16.142
  125   HG23  ILE  16          HG23      ILE  16  32.600  -6.311  16.470
  126   HD11  ILE  16          HD11      ILE  16  33.937  -3.979  12.634
  127   HD12  ILE  16          HD12      ILE  16  32.301  -4.500  12.226
  128   HD13  ILE  16          HD13      ILE  16  33.687  -5.433  11.670
  129    H    HIS  17           HN       HIS  17  31.007  -2.189  15.662
  130    HA   HIS  17           HA       HIS  17  30.808  -2.665  18.518
  131    HB2  HIS  17           HB3      HIS  17  31.177  -0.419  18.628
  132    HB3  HIS  17           HB2      HIS  17  31.219  -0.401  16.878
  133    HD1  HIS  17           HD1      HIS  17  29.157   0.541  15.639
  134    HD2  HIS  17           HD2      HIS  17  28.664   0.321  19.767
  135    HE1  HIS  17           HE1      HIS  17  27.025   1.793  16.163
  136    HE2  HIS  17           HE2      HIS  17  26.718   1.690  18.683
  137    H    ARG  18           HN       ARG  18  28.732  -3.107  15.942
  138    HA   ARG  18           HA       ARG  18  26.263  -2.653  17.534
  139    HB2  ARG  18           HB3      ARG  18  26.744  -3.366  14.639
  140    HB3  ARG  18           HB2      ARG  18  25.144  -3.407  15.385
  141    HG2  ARG  18           HG3      ARG  18  25.297  -1.067  15.988
  142    HG3  ARG  18           HG2      ARG  18  26.965  -0.990  15.420
  143    HD2  ARG  18           HD3      ARG  18  24.983  -0.162  13.861
  144    HD3  ARG  18           HD2      ARG  18  26.347  -1.042  13.173
  145    HE   ARG  18           HE       ARG  18  24.543  -3.035  13.837
  146   HH11  ARG  18          HH11      ARG  18  22.977  -3.780  12.385
  147   HH12  ARG  18          HH12      ARG  18  22.429  -2.737  11.116
  148   HH21  ARG  18          HH21      ARG  18  24.476  -0.095  12.040
  149   HH22  ARG  18          HH22      ARG  18  23.277  -0.651  10.920
  150    H    LEU  19           HN       LEU  19  28.351  -5.152  16.322
  151    HA   LEU  19           HA       LEU  19  26.601  -7.377  16.750
  152    HB2  LEU  19           HB3      LEU  19  28.527  -7.962  15.556
  153    HB3  LEU  19           HB2      LEU  19  29.567  -6.949  16.544
  154    HG   LEU  19           HG       LEU  19  29.400  -8.589  18.399
  155   HD11  LEU  19          HD11      LEU  19  27.943 -10.358  16.409
  156   HD12  LEU  19          HD12      LEU  19  27.107  -9.457  17.669
  157   HD13  LEU  19          HD13      LEU  19  28.273 -10.701  18.105
  158   HD21  LEU  19          HD21      LEU  19  30.744 -10.338  17.344
  159   HD22  LEU  19          HD22      LEU  19  31.191  -8.764  16.684
  160   HD23  LEU  19          HD23      LEU  19  30.164  -9.853  15.750
  161    H    ILE  20           HN       ILE  20  28.807  -5.561  18.833
  162    HA   ILE  20           HA       ILE  20  28.396  -7.220  21.176
  163    HB   ILE  20           HB       ILE  20  30.164  -5.930  21.854
  164   HG12  ILE  20          HG13      ILE  20  28.258  -3.554  21.852
  165   HG13  ILE  20          HG12      ILE  20  28.423  -4.701  23.181
  166   HG21  ILE  20          HG21      ILE  20  30.491  -5.352  19.511
  167   HG22  ILE  20          HG22      ILE  20  30.878  -3.963  20.523
  168   HG23  ILE  20          HG23      ILE  20  29.343  -4.037  19.672
  169   HD11  ILE  20          HD11      ILE  20  30.872  -4.092  23.265
  170   HD12  ILE  20          HD12      ILE  20  29.782  -2.773  23.687
  171   HD13  ILE  20          HD13      ILE  20  30.532  -2.821  22.092
  172    H    ARG  21           HN       ARG  21  26.981  -4.117  20.137
  173    HA   ARG  21           HA       ARG  21  25.193  -3.789  22.278
  174    HB2  ARG  21           HB3      ARG  21  24.850  -3.085  19.353
  175    HB3  ARG  21           HB2      ARG  21  23.763  -2.532  20.631
  176    HG2  ARG  21           HG3      ARG  21  25.545  -1.366  21.749
  177    HG3  ARG  21           HG2      ARG  21  26.755  -2.081  20.686
  178    HD2  ARG  21           HD3      ARG  21  25.954   0.343  20.200
  179    HD3  ARG  21           HD2      ARG  21  26.095  -0.780  18.852
  180    HE   ARG  21           HE       ARG  21  23.437  -0.778  20.045
  181   HH11  ARG  21          HH11      ARG  21  21.788   0.070  18.751
  182   HH12  ARG  21          HH12      ARG  21  22.199   1.005  17.352
  183   HH21  ARG  21          HH21      ARG  21  25.620   0.723  17.839
  184   HH22  ARG  21          HH22      ARG  21  24.368   1.376  16.838
  185    H    ARG  22           HN       ARG  22  24.857  -5.649  19.298
  186    HA   ARG  22           HA       ARG  22  22.188  -6.603  19.830
  187    HB2  ARG  22           HB3      ARG  22  24.481  -7.632  18.146
  188    HB3  ARG  22           HB2      ARG  22  22.985  -8.552  18.306
  189    HG2  ARG  22           HG3      ARG  22  21.699  -6.605  17.499
  190    HG3  ARG  22           HG2      ARG  22  23.196  -5.688  17.330
  191    HD2  ARG  22           HD3      ARG  22  22.372  -6.743  15.188
  192    HD3  ARG  22           HD2      ARG  22  24.017  -7.191  15.639
  193    HE   ARG  22           HE       ARG  22  22.249  -9.122  16.747
  194   HH11  ARG  22          HH11      ARG  22  21.995 -11.104  15.684
  195   HH12  ARG  22          HH12      ARG  22  22.407 -11.228  14.005
  196   HH21  ARG  22          HH21      ARG  22  23.372  -7.909  13.725
  197   HH22  ARG  22          HH22      ARG  22  23.187  -9.418  12.895
  198    H    ARG  23           HN       ARG  23  25.286  -7.260  21.129
  199    HA   ARG  23           HA       ARG  23  24.410  -9.813  22.395
  200    HB2  ARG  23           HB3      ARG  23  26.716  -9.468  21.249
  201    HB3  ARG  23           HB2      ARG  23  27.127  -8.515  22.671
  202    HG2  ARG  23           HG3      ARG  23  27.839 -10.607  23.392
  203    HG3  ARG  23           HG2      ARG  23  26.174 -10.653  23.967
  204    HD2  ARG  23           HD3      ARG  23  25.517 -11.799  21.844
  205    HD3  ARG  23           HD2      ARG  23  27.215 -11.825  21.369
  206    HE   ARG  23           HE       ARG  23  26.800 -13.019  23.983
  207   HH11  ARG  23          HH11      ARG  23  27.081 -15.260  24.102
  208   HH12  ARG  23          HH12      ARG  23  27.095 -16.196  22.646
  209   HH21  ARG  23          HH21      ARG  23  26.619 -13.462  20.568
  210   HH22  ARG  23          HH22      ARG  23  26.833 -15.179  20.646
  211    H    ARG  24           HN       ARG  24  23.246  -7.245  23.208
  212    HA   ARG  24           HA       ARG  24  24.454  -6.156  25.527
  213    HB2  ARG  24           HB3      ARG  24  21.985  -5.654  26.169
  214    HB3  ARG  24           HB2      ARG  24  22.618  -4.947  24.683
  215    HG2  ARG  24           HG3      ARG  24  21.528  -6.553  23.317
  216    HG3  ARG  24           HG2      ARG  24  21.203  -7.616  24.687
  217    HD2  ARG  24           HD3      ARG  24  20.045  -4.833  24.422
  218    HD3  ARG  24           HD2      ARG  24  19.202  -6.292  23.902
  219    HE   ARG  24           HE       ARG  24  19.634  -5.442  26.677
  220   HH11  ARG  24          HH11      ARG  24  18.633  -6.738  28.233
  221   HH12  ARG  24          HH12      ARG  24  18.010  -8.290  27.780
  222   HH21  ARG  24          HH21      ARG  24  18.973  -8.000  24.460
  223   HH22  ARG  24          HH22      ARG  24  18.204  -9.005  25.643
  224    H    ARG  25           HN       ARG  25  25.342  -8.060  26.580
  225    HA   ARG  25           HA       ARG  25  23.812 -10.252  27.539
  226    HB2  ARG  25           HB3      ARG  25  25.648 -10.558  29.177
  227    HB3  ARG  25           HB2      ARG  25  26.269 -10.245  27.555
  228    HG2  ARG  25           HG3      ARG  25  26.388  -7.783  28.215
  229    HG3  ARG  25           HG2      ARG  25  26.085  -8.308  29.871
  230    HD2  ARG  25           HD3      ARG  25  28.348  -9.373  28.162
  231    HD3  ARG  25           HD2      ARG  25  28.528  -8.047  29.309
  232    HE   ARG  25           HE       ARG  25  28.245 -10.880  29.988
  233   HH11  ARG  25          HH11      ARG  25  28.394 -11.349  32.194
  234   HH12  ARG  25          HH12      ARG  25  28.279 -10.063  33.349
  235   HH21  ARG  25          HH21      ARG  25  27.870  -7.591  30.952
  236   HH22  ARG  25          HH22      ARG  25  27.981  -7.936  32.645
  Start of MODEL    3
    1    H1   PHE   1           H1       PHE   1  45.681   5.867  16.133
    2    H2   PHE   1           H2       PHE   1  46.718   6.911  16.983
    3    H3   PHE   1           H3       PHE   1  46.104   7.368  15.466
    4    HA   PHE   1           HA       PHE   1  43.813   7.009  16.678
    5    HB2  PHE   1           HB3      PHE   1  45.825   7.664  18.846
    6    HB3  PHE   1           HB2      PHE   1  44.089   7.916  19.023
    7    HD1  PHE   1           HD1      PHE   1  46.695   5.332  18.374
    8    HD2  PHE   1           HD2      PHE   1  42.622   6.101  19.507
    9    HE1  PHE   1           HE1      PHE   1  46.411   2.944  18.982
   10    HE2  PHE   1           HE2      PHE   1  42.340   3.712  20.115
   11    HZ   PHE   1           HZ       PHE   1  44.234   2.134  19.851
   12    H    ILE   2           HN       ILE   2  45.066   8.629  14.753
   13    HA   ILE   2           HA       ILE   2  45.181  11.369  15.857
   14    HB   ILE   2           HB       ILE   2  45.447  10.424  12.984
   15   HG12  ILE   2          HG13      ILE   2  47.518  10.955  15.133
   16   HG13  ILE   2          HG12      ILE   2  47.176   9.409  14.356
   17   HG21  ILE   2          HG21      ILE   2  46.255  12.590  12.486
   18   HG22  ILE   2          HG22      ILE   2  46.522  12.981  14.183
   19   HG23  ILE   2          HG23      ILE   2  44.887  12.912  13.544
   20   HD11  ILE   2          HD11      ILE   2  47.747  10.583  12.142
   21   HD12  ILE   2          HD12      ILE   2  49.093  10.246  13.229
   22   HD13  ILE   2          HD13      ILE   2  48.424  11.874  13.134
   23    H    HIS   3           HN       HIS   3  43.781  10.918  12.701
   24    HA   HIS   3           HA       HIS   3  41.029  11.256  13.670
   25    HB2  HIS   3           HB3      HIS   3  40.706  13.391  12.472
   26    HB3  HIS   3           HB2      HIS   3  41.886  13.546  13.769
   27    HD1  HIS   3           HD1      HIS   3  42.035  15.590  11.566
   28    HD2  HIS   3           HD2      HIS   3  44.128  11.984  11.357
   29    HE1  HIS   3           HE1      HIS   3  43.957  15.958   9.959
   30    HE2  HIS   3           HE2      HIS   3  45.215  13.766   9.806
   31    H    HIS   4           HN       HIS   4  43.292  10.444  11.259
   32    HA   HIS   4           HA       HIS   4  41.151  10.041   9.210
   33    HB2  HIS   4           HB3      HIS   4  42.887   9.925   7.573
   34    HB3  HIS   4           HB2      HIS   4  43.288  11.295   8.606
   35    HD1  HIS   4           HD1      HIS   4  45.637  11.296   9.453
   36    HD2  HIS   4           HD2      HIS   4  44.315   7.449   8.557
   37    HE1  HIS   4           HE1      HIS   4  47.610   9.755   9.850
   38    HE2  HIS   4           HE2      HIS   4  46.818   7.406   9.306
   39    H    ILE   5           HN       ILE   5  42.883   8.456  11.612
   40    HA   ILE   5           HA       ILE   5  42.830   5.822  10.278
   41    HB   ILE   5           HB       ILE   5  44.054   5.007  12.128
   42   HG12  ILE   5          HG13      ILE   5  42.644   5.783  13.974
   43   HG13  ILE   5          HG12      ILE   5  44.305   6.279  14.265
   44   HG21  ILE   5          HG21      ILE   5  45.353   6.586  10.775
   45   HG22  ILE   5          HG22      ILE   5  45.859   6.663  12.460
   46   HG23  ILE   5          HG23      ILE   5  44.823   7.924  11.795
   47   HD11  ILE   5          HD11      ILE   5  42.884   8.159  14.764
   48   HD12  ILE   5          HD12      ILE   5  42.055   8.007  13.222
   49   HD13  ILE   5          HD13      ILE   5  43.738   8.523  13.267
   50    H    ILE   6           HN       ILE   6  40.584   7.776  11.676
   51    HA   ILE   6           HA       ILE   6  39.159   5.642  13.150
   52    HB   ILE   6           HB       ILE   6  37.428   7.707  13.258
   53   HG12  ILE   6          HG13      ILE   6  40.066   9.168  13.083
   54   HG13  ILE   6          HG12      ILE   6  39.056   8.967  11.658
   55   HG21  ILE   6          HG21      ILE   6  39.994   7.372  14.826
   56   HG22  ILE   6          HG22      ILE   6  38.393   6.764  15.241
   57   HG23  ILE   6          HG23      ILE   6  38.719   8.497  15.295
   58   HD11  ILE   6          HD11      ILE   6  38.610  11.107  12.837
   59   HD12  ILE   6          HD12      ILE   6  38.133  10.192  14.267
   60   HD13  ILE   6          HD13      ILE   6  37.189  10.065  12.783
   61    H    GLY   7           HN       GLY   7  38.176   7.955  10.590
   62    HA2  GLY   7           HA3      GLY   7  35.938   6.421   9.747
   63    HA3  GLY   7           HA2      GLY   7  36.761   7.625   8.750
   64    H    GLY   8           HN       GLY   8  39.039   5.499   9.748
   65    HA2  GLY   8           HA3      GLY   8  38.971   4.027   7.153
   66    HA3  GLY   8           HA2      GLY   8  40.384   4.201   8.202
   67    H    LEU   9           HN       LEU   9  38.985   3.591  10.638
   68    HA   LEU   9           HA       LEU   9  38.418   0.667  10.287
   69    HB2  LEU   9           HB3      LEU   9  40.508   0.830  11.429
   70    HB3  LEU   9           HB2      LEU   9  39.973   2.211  12.381
   71    HG   LEU   9           HG       LEU   9  38.442   0.798  13.642
   72   HD11  LEU   9          HD11      LEU   9  38.630  -1.734  13.230
   73   HD12  LEU   9          HD12      LEU   9  39.377  -1.317  11.688
   74   HD13  LEU   9          HD13      LEU   9  37.723  -0.818  12.030
   75   HD21  LEU   9          HD21      LEU   9  40.088  -0.587  14.805
   76   HD22  LEU   9          HD22      LEU   9  40.833   0.943  14.340
   77   HD23  LEU   9          HD23      LEU   9  41.165  -0.518  13.409
   78    H    PHE  10           HN       PHE  10  37.853   3.591  12.217
   79    HA   PHE  10           HA       PHE  10  35.814   2.834  13.912
   80    HB2  PHE  10           HB3      PHE  10  36.899   5.153  13.451
   81    HB3  PHE  10           HB2      PHE  10  35.603   5.366  12.276
   82    HD1  PHE  10           HD1      PHE  10  33.388   5.883  12.973
   83    HD2  PHE  10           HD2      PHE  10  36.320   4.656  15.859
   84    HE1  PHE  10           HE1      PHE  10  31.836   6.499  14.810
   85    HE2  PHE  10           HE2      PHE  10  34.770   5.273  17.698
   86    HZ   PHE  10           HZ       PHE  10  32.528   6.194  17.173
   87    H    SER  11           HN       SER  11  35.628   3.286  10.419
   88    HA   SER  11           HA       SER  11  32.795   3.328  10.150
   89    HB2  SER  11           HB3      SER  11  33.185   2.527   7.850
   90    HB3  SER  11           HB2      SER  11  34.346   3.788   8.270
   91    HG   SER  11           HG       SER  11  34.986   1.112   8.800
   92    H    ALA  12           HN       ALA  12  35.093   0.628  10.359
   93    HA   ALA  12           HA       ALA  12  32.879  -1.332  10.314
   94    HB1  ALA  12           HB1      ALA  12  34.650  -3.017  10.530
   95    HB2  ALA  12           HB2      ALA  12  35.847  -1.748  10.780
   96    HB3  ALA  12           HB3      ALA  12  35.038  -1.901   9.221
   97    H    GLY  13           HN       GLY  13  35.105   0.225  12.548
   98    HA2  GLY  13           HA3      GLY  13  34.800  -1.363  14.837
   99    HA3  GLY  13           HA2      GLY  13  34.945   0.400  14.892
  100    H    LYS  14           HN       LYS  14  32.628   1.123  13.531
  101    HA   LYS  14           HA       LYS  14  30.640   1.039  15.575
  102    HB2  LYS  14           HB3      LYS  14  30.523   1.643  12.615
  103    HB3  LYS  14           HB2      LYS  14  29.077   1.703  13.626
  104    HG2  LYS  14           HG3      LYS  14  29.958   3.446  14.977
  105    HG3  LYS  14           HG2      LYS  14  31.598   3.197  14.367
  106    HD2  LYS  14           HD3      LYS  14  30.508   5.196  13.361
  107    HD3  LYS  14           HD2      LYS  14  30.932   3.980  12.155
  108    HE2  LYS  14           HE3      LYS  14  28.562   5.032  12.030
  109    HE3  LYS  14           HE2      LYS  14  28.695   3.279  11.897
  110    HZ1  LYS  14           HZ1      LYS  14  27.053   4.462  13.587
  111    HZ2  LYS  14           HZ2      LYS  14  28.427   4.377  14.582
  112    HZ3  LYS  14           HZ3      LYS  14  27.767   2.960  13.915
  113    H    ALA  15           HN       ALA  15  30.952  -0.813  12.554
  114    HA   ALA  15           HA       ALA  15  28.634  -2.428  12.821
  115    HB1  ALA  15           HB1      ALA  15  31.315  -3.139  11.610
  116    HB2  ALA  15           HB2      ALA  15  29.966  -2.388  10.762
  117    HB3  ALA  15           HB3      ALA  15  29.822  -4.039  11.366
  118    H    ILE  16           HN       ILE  16  31.929  -2.829  14.131
  119    HA   ILE  16           HA       ILE  16  31.241  -5.437  15.259
  120    HB   ILE  16           HB       ILE  16  33.566  -3.527  15.688
  121   HG12  ILE  16          HG13      ILE  16  34.787  -5.662  14.829
  122   HG13  ILE  16          HG12      ILE  16  33.191  -6.204  14.325
  123   HG21  ILE  16          HG21      ILE  16  33.309  -4.528  17.834
  124   HG22  ILE  16          HG22      ILE  16  34.556  -5.480  17.030
  125   HG23  ILE  16          HG23      ILE  16  32.909  -6.099  17.140
  126   HD11  ILE  16          HD11      ILE  16  32.921  -4.269  12.895
  127   HD12  ILE  16          HD12      ILE  16  34.480  -5.005  12.532
  128   HD13  ILE  16          HD13      ILE  16  34.405  -3.550  13.521
  129    H    HIS  17           HN       HIS  17  31.096  -2.091  16.169
  130    HA   HIS  17           HA       HIS  17  30.575  -2.600  18.982
  131    HB2  HIS  17           HB3      HIS  17  30.815  -0.338  19.125
  132    HB3  HIS  17           HB2      HIS  17  31.037  -0.302  17.388
  133    HD1  HIS  17           HD1      HIS  17  29.051   0.518  15.947
  134    HD2  HIS  17           HD2      HIS  17  28.153   0.236  20.002
  135    HE1  HIS  17           HE1      HIS  17  26.823   1.665  16.253
  136    HE2  HIS  17           HE2      HIS  17  26.259   1.514  18.727
  137    H    ARG  18           HN       ARG  18  28.865  -3.079  16.135
  138    HA   ARG  18           HA       ARG  18  26.196  -2.812  17.411
  139    HB2  ARG  18           HB3      ARG  18  27.122  -3.365  14.590
  140    HB3  ARG  18           HB2      ARG  18  25.441  -3.594  15.086
  141    HG2  ARG  18           HG3      ARG  18  25.264  -1.285  15.778
  142    HG3  ARG  18           HG2      ARG  18  26.984  -1.024  15.502
  143    HD2  ARG  18           HD3      ARG  18  25.285  -0.251  13.670
  144    HD3  ARG  18           HD2      ARG  18  26.752  -1.091  13.168
  145    HE   ARG  18           HE       ARG  18  24.755  -3.054  13.590
  146   HH11  ARG  18          HH11      ARG  18  23.639  -3.885  11.806
  147   HH12  ARG  18          HH12      ARG  18  23.570  -2.964  10.340
  148   HH21  ARG  18          HH21      ARG  18  25.450  -0.333  11.594
  149   HH22  ARG  18          HH22      ARG  18  24.596  -0.953  10.220
  150    H    LEU  19           HN       LEU  19  28.597  -5.136  16.550
  151    HA   LEU  19           HA       LEU  19  26.921  -7.475  16.620
  152    HB2  LEU  19           HB3      LEU  19  29.013  -7.932  15.682
  153    HB3  LEU  19           HB2      LEU  19  29.857  -6.872  16.798
  154    HG   LEU  19           HG       LEU  19  29.566  -8.553  18.605
  155   HD11  LEU  19          HD11      LEU  19  28.532 -10.408  16.440
  156   HD12  LEU  19          HD12      LEU  19  27.449  -9.554  17.536
  157   HD13  LEU  19          HD13      LEU  19  28.613 -10.712  18.174
  158   HD21  LEU  19          HD21      LEU  19  31.064 -10.296  17.576
  159   HD22  LEU  19          HD22      LEU  19  31.605  -8.639  17.314
  160   HD23  LEU  19          HD23      LEU  19  30.803  -9.520  16.014
  161    H    ILE  20           HN       ILE  20  28.698  -5.588  19.018
  162    HA   ILE  20           HA       ILE  20  28.078  -7.346  21.250
  163    HB   ILE  20           HB       ILE  20  29.660  -5.990  22.202
  164   HG12  ILE  20          HG13      ILE  20  27.657  -3.708  21.965
  165   HG13  ILE  20          HG12      ILE  20  27.701  -4.868  23.291
  166   HG21  ILE  20          HG21      ILE  20  29.082  -4.057  19.974
  167   HG22  ILE  20          HG22      ILE  20  30.274  -5.343  19.922
  168   HG23  ILE  20          HG23      ILE  20  30.488  -3.986  21.023
  169   HD11  ILE  20          HD11      ILE  20  29.809  -2.837  22.525
  170   HD12  ILE  20          HD12      ILE  20  30.097  -4.130  23.687
  171   HD13  ILE  20          HD13      ILE  20  28.875  -2.903  24.019
  172    H    ARG  21           HN       ARG  21  26.662  -4.292  20.086
  173    HA   ARG  21           HA       ARG  21  24.584  -4.117  21.974
  174    HB2  ARG  21           HB3      ARG  21  24.617  -3.304  19.059
  175    HB3  ARG  21           HB2      ARG  21  23.346  -2.846  20.196
  176    HG2  ARG  21           HG3      ARG  21  24.926  -1.674  21.596
  177    HG3  ARG  21           HG2      ARG  21  26.283  -2.269  20.642
  178    HD2  ARG  21           HD3      ARG  21  25.567   0.101  20.122
  179    HD3  ARG  21           HD2      ARG  21  25.615  -0.986  18.737
  180    HE   ARG  21           HE       ARG  21  22.986  -1.032  19.854
  181   HH11  ARG  21          HH11      ARG  21  21.360   0.118  18.788
  182   HH12  ARG  21          HH12      ARG  21  21.792   1.386  17.688
  183   HH21  ARG  21          HH21      ARG  21  25.206   0.986  18.156
  184   HH22  ARG  21          HH22      ARG  21  23.970   1.878  17.332
  185    H    ARG  22           HN       ARG  22  24.792  -5.893  18.940
  186    HA   ARG  22           HA       ARG  22  22.095  -6.948  19.079
  187    HB2  ARG  22           HB3      ARG  22  24.568  -7.796  17.551
  188    HB3  ARG  22           HB2      ARG  22  23.028  -8.644  17.415
  189    HG2  ARG  22           HG3      ARG  22  21.929  -6.725  16.529
  190    HG3  ARG  22           HG2      ARG  22  23.259  -5.661  16.989
  191    HD2  ARG  22           HD3      ARG  22  23.376  -6.096  14.595
  192    HD3  ARG  22           HD2      ARG  22  24.736  -6.886  15.394
  193    HE   ARG  22           HE       ARG  22  22.477  -8.677  15.153
  194   HH11  ARG  22          HH11      ARG  22  22.669 -10.348  13.647
  195   HH12  ARG  22          HH12      ARG  22  23.887 -10.255  12.420
  196   HH21  ARG  22          HH21      ARG  22  25.111  -7.194  13.494
  197   HH22  ARG  22          HH22      ARG  22  25.268  -8.468  12.332
  198    H    ARG  23           HN       ARG  23  24.998  -7.556  20.736
  199    HA   ARG  23           HA       ARG  23  24.155 -10.311  21.536
  200    HB2  ARG  23           HB3      ARG  23  26.555  -9.724  20.721
  201    HB3  ARG  23           HB2      ARG  23  26.754  -8.980  22.305
  202    HG2  ARG  23           HG3      ARG  23  27.451 -11.126  22.844
  203    HG3  ARG  23           HG2      ARG  23  25.724 -11.338  23.123
  204    HD2  ARG  23           HD3      ARG  23  25.626 -11.996  20.605
  205    HD3  ARG  23           HD2      ARG  23  27.370 -12.210  20.753
  206    HE   ARG  23           HE       ARG  23  26.369 -13.644  22.888
  207   HH11  ARG  23          HH11      ARG  23  25.770 -15.818  22.751
  208   HH12  ARG  23          HH12      ARG  23  25.311 -16.481  21.218
  209   HH21  ARG  23          HH21      ARG  23  25.777 -13.509  19.494
  210   HH22  ARG  23          HH22      ARG  23  25.316 -15.175  19.374
  211    H    ARG  24           HN       ARG  24  22.904  -7.748  22.549
  212    HA   ARG  24           HA       ARG  24  23.826  -7.196  25.191
  213    HB2  ARG  24           HB3      ARG  24  21.184  -6.901  23.771
  214    HB3  ARG  24           HB2      ARG  24  21.239  -6.661  25.518
  215    HG2  ARG  24           HG3      ARG  24  22.967  -4.945  25.258
  216    HG3  ARG  24           HG2      ARG  24  22.999  -5.212  23.517
  217    HD2  ARG  24           HD3      ARG  24  20.446  -4.457  24.942
  218    HD3  ARG  24           HD2      ARG  24  21.586  -3.232  24.385
  219    HE   ARG  24           HE       ARG  24  21.178  -4.822  22.150
  220   HH11  ARG  24          HH11      ARG  24  19.547  -4.390  20.642
  221   HH12  ARG  24          HH12      ARG  24  18.144  -3.502  21.133
  222   HH21  ARG  24          HH21      ARG  24  19.210  -3.114  24.408
  223   HH22  ARG  24          HH22      ARG  24  17.952  -2.781  23.263
  224    H    ARG  25           HN       ARG  25  24.412  -9.349  25.928
  225    HA   ARG  25           HA       ARG  25  22.621 -11.527  26.165
  226    HB2  ARG  25           HB3      ARG  25  24.992 -10.734  27.878
  227    HB3  ARG  25           HB2      ARG  25  24.158 -12.283  28.010
  228    HG2  ARG  25           HG3      ARG  25  24.605 -12.649  25.557
  229    HG3  ARG  25           HG2      ARG  25  25.604 -11.195  25.579
  230    HD2  ARG  25           HD3      ARG  25  26.068 -13.813  26.998
  231    HD3  ARG  25           HD2      ARG  25  27.161 -12.928  25.936
  232    HE   ARG  25           HE       ARG  25  26.788 -12.451  28.792
  233   HH11  ARG  25          HH11      ARG  25  28.057 -10.801  29.675
  234   HH12  ARG  25          HH12      ARG  25  28.876  -9.699  28.619
  235   HH21  ARG  25          HH21      ARG  25  27.684 -11.176  25.717
  236   HH22  ARG  25          HH22      ARG  25  28.662  -9.908  26.378
  Start of MODEL    4
    1    H1   PHE   1           H1       PHE   1  44.872   5.931  17.042
    2    H2   PHE   1           H2       PHE   1  45.778   6.930  18.076
    3    H3   PHE   1           H3       PHE   1  45.370   7.466  16.517
    4    HA   PHE   1           HA       PHE   1  42.940   6.986  17.446
    5    HB2  PHE   1           HB3      PHE   1  43.029   8.033  19.811
    6    HB3  PHE   1           HB2      PHE   1  43.510   6.343  19.655
    7    HD1  PHE   1           HD1      PHE   1  45.721   5.635  20.179
    8    HD2  PHE   1           HD2      PHE   1  44.830   9.826  19.857
    9    HE1  PHE   1           HE1      PHE   1  47.958   6.185  21.098
   10    HE2  PHE   1           HE2      PHE   1  47.066  10.372  20.772
   11    HZ   PHE   1           HZ       PHE   1  48.630   8.553  21.394
   12    H    ILE   2           HN       ILE   2  44.714   8.690  15.798
   13    HA   ILE   2           HA       ILE   2  44.457  11.404  16.816
   14    HB   ILE   2           HB       ILE   2  45.035  10.462  13.989
   15   HG12  ILE   2          HG13      ILE   2  46.967  11.248  16.189
   16   HG13  ILE   2          HG12      ILE   2  46.601   9.580  15.741
   17   HG21  ILE   2          HG21      ILE   2  45.742  12.649  13.512
   18   HG22  ILE   2          HG22      ILE   2  45.943  13.065  15.213
   19   HG23  ILE   2          HG23      ILE   2  44.332  12.951  14.522
   20   HD11  ILE   2          HD11      ILE   2  48.602  10.207  14.554
   21   HD12  ILE   2          HD12      ILE   2  47.867  11.713  14.002
   22   HD13  ILE   2          HD13      ILE   2  47.289  10.169  13.376
   23    H    HIS   3           HN       HIS   3  43.384  10.908  13.536
   24    HA   HIS   3           HA       HIS   3  40.544  11.089  14.223
   25    HB2  HIS   3           HB3      HIS   3  40.215  13.272  13.137
   26    HB3  HIS   3           HB2      HIS   3  41.288  13.412  14.527
   27    HD1  HIS   3           HD1      HIS   3  41.476  15.558  12.395
   28    HD2  HIS   3           HD2      HIS   3  43.806  12.096  12.282
   29    HE1  HIS   3           HE1      HIS   3  43.498  16.089  10.968
   30    HE2  HIS   3           HE2      HIS   3  44.903  13.984  10.870
   31    H    HIS   4           HN       HIS   4  43.077  10.524  12.027
   32    HA   HIS   4           HA       HIS   4  41.171  10.110   9.755
   33    HB2  HIS   4           HB3      HIS   4  43.063  10.224   8.288
   34    HB3  HIS   4           HB2      HIS   4  43.214  11.577   9.406
   35    HD1  HIS   4           HD1      HIS   4  45.453  11.771  10.497
   36    HD2  HIS   4           HD2      HIS   4  44.630   7.862   9.317
   37    HE1  HIS   4           HE1      HIS   4  47.523  10.411  11.043
   38    HE2  HIS   4           HE2      HIS   4  47.034   8.026  10.327
   39    H    ILE   5           HN       ILE   5  42.927   8.504  12.178
   40    HA   ILE   5           HA       ILE   5  43.176   5.990  10.667
   41    HB   ILE   5           HB       ILE   5  44.284   5.115  12.562
   42   HG12  ILE   5          HG13      ILE   5  42.655   5.621  14.311
   43   HG13  ILE   5          HG12      ILE   5  44.230   6.228  14.801
   44   HG21  ILE   5          HG21      ILE   5  44.835   8.098  12.512
   45   HG22  ILE   5          HG22      ILE   5  45.580   6.881  11.475
   46   HG23  ILE   5          HG23      ILE   5  45.900   6.880  13.208
   47   HD11  ILE   5          HD11      ILE   5  41.926   7.829  13.688
   48   HD12  ILE   5          HD12      ILE   5  43.545   8.488  13.882
   49   HD13  ILE   5          HD13      ILE   5  42.635   7.951  15.291
   50    H    ILE   6           HN       ILE   6  40.656   7.642  11.945
   51    HA   ILE   6           HA       ILE   6  39.244   5.295  13.087
   52    HB   ILE   6           HB       ILE   6  37.375   7.249  13.166
   53   HG12  ILE   6          HG13      ILE   6  39.894   8.875  13.507
   54   HG13  ILE   6          HG12      ILE   6  39.157   8.727  11.918
   55   HG21  ILE   6          HG21      ILE   6  39.744   7.065  15.046
   56   HG22  ILE   6          HG22      ILE   6  38.298   6.056  15.108
   57   HG23  ILE   6          HG23      ILE   6  38.179   7.786  15.429
   58   HD11  ILE   6          HD11      ILE   6  37.586   9.565  14.357
   59   HD12  ILE   6          HD12      ILE   6  37.121   9.717  12.661
   60   HD13  ILE   6          HD13      ILE   6  38.410  10.726  13.317
   61    H    GLY   7           HN       GLY   7  38.572   7.755  10.572
   62    HA2  GLY   7           HA3      GLY   7  36.424   6.342   9.368
   63    HA3  GLY   7           HA2      GLY   7  37.431   7.531   8.533
   64    H    GLY   8           HN       GLY   8  39.493   5.335   9.751
   65    HA2  GLY   8           HA3      GLY   8  39.821   3.991   7.137
   66    HA3  GLY   8           HA2      GLY   8  40.959   3.928   8.489
   67    H    LEU   9           HN       LEU   9  39.043   3.236  10.500
   68    HA   LEU   9           HA       LEU   9  38.085   0.539   9.625
   69    HB2  LEU   9           HB3      LEU   9  38.775  -0.086  12.117
   70    HB3  LEU   9           HB2      LEU   9  39.955  -0.173  10.813
   71    HG   LEU   9           HG       LEU   9  39.665   2.468  12.206
   72   HD11  LEU   9          HD11      LEU   9  40.947   0.021  13.445
   73   HD12  LEU   9          HD12      LEU   9  39.703   1.056  14.145
   74   HD13  LEU   9          HD13      LEU   9  41.343   1.668  13.936
   75   HD21  LEU   9          HD21      LEU   9  42.142   2.460  11.878
   76   HD22  LEU   9          HD22      LEU   9  41.271   2.224  10.365
   77   HD23  LEU   9          HD23      LEU   9  42.022   0.850  11.172
   78    H    PHE  10           HN       PHE  10  37.807   3.308  11.784
   79    HA   PHE  10           HA       PHE  10  35.759   2.649  13.497
   80    HB2  PHE  10           HB3      PHE  10  36.914   4.894  13.149
   81    HB3  PHE  10           HB2      PHE  10  35.758   5.182  11.845
   82    HD1  PHE  10           HD1      PHE  10  35.827   4.028  15.414
   83    HD2  PHE  10           HD2      PHE  10  33.746   6.246  12.382
   84    HE1  PHE  10           HE1      PHE  10  34.138   4.738  17.092
   85    HE2  PHE  10           HE2      PHE  10  32.057   6.958  14.057
   86    HZ   PHE  10           HZ       PHE  10  32.255   6.203  16.412
   87    H    SER  11           HN       SER  11  35.548   3.050  10.012
   88    HA   SER  11           HA       SER  11  32.718   3.280   9.767
   89    HB2  SER  11           HB3      SER  11  33.031   2.491   7.471
   90    HB3  SER  11           HB2      SER  11  34.330   3.611   7.886
   91    HG   SER  11           HG       SER  11  34.462   0.775   8.056
   92    H    ALA  12           HN       ALA  12  34.815   0.387   9.767
   93    HA   ALA  12           HA       ALA  12  32.457  -1.380   9.860
   94    HB1  ALA  12           HB1      ALA  12  35.427  -1.970  10.042
   95    HB2  ALA  12           HB2      ALA  12  34.404  -2.176   8.619
   96    HB3  ALA  12           HB3      ALA  12  34.162  -3.198  10.036
   97    H    GLY  13           HN       GLY  13  34.880  -0.006  11.985
   98    HA2  GLY  13           HA3      GLY  13  34.616  -1.631  14.258
   99    HA3  GLY  13           HA2      GLY  13  34.880   0.119  14.334
  100    H    LYS  14           HN       LYS  14  32.562   1.014  13.103
  101    HA   LYS  14           HA       LYS  14  30.671   1.062  15.230
  102    HB2  LYS  14           HB3      LYS  14  30.426   1.628  12.269
  103    HB3  LYS  14           HB2      LYS  14  29.055   1.807  13.366
  104    HG2  LYS  14           HG3      LYS  14  30.125   3.511  14.615
  105    HG3  LYS  14           HG2      LYS  14  31.712   3.126  13.940
  106    HD2  LYS  14           HD3      LYS  14  30.703   5.193  12.953
  107    HD3  LYS  14           HD2      LYS  14  31.032   3.942  11.754
  108    HE2  LYS  14           HE3      LYS  14  28.741   3.327  11.608
  109    HE3  LYS  14           HE2      LYS  14  28.332   4.199  13.085
  110    HZ1  LYS  14           HZ1      LYS  14  29.223   6.221  11.752
  111    HZ2  LYS  14           HZ2      LYS  14  27.643   5.659  11.480
  112    HZ3  LYS  14           HZ3      LYS  14  28.890   5.251  10.399
  113    H    ALA  15           HN       ALA  15  30.678  -0.822  12.207
  114    HA   ALA  15           HA       ALA  15  28.294  -2.306  12.644
  115    HB1  ALA  15           HB1      ALA  15  29.207  -3.917  11.064
  116    HB2  ALA  15           HB2      ALA  15  30.831  -3.273  11.303
  117    HB3  ALA  15           HB3      ALA  15  29.600  -2.288  10.511
  118    H    ILE  16           HN       ILE  16  31.641  -2.872  13.703
  119    HA   ILE  16           HA       ILE  16  30.933  -5.439  14.900
  120    HB   ILE  16           HB       ILE  16  33.368  -3.653  14.901
  121   HG12  ILE  16          HG13      ILE  16  34.440  -5.816  14.203
  122   HG13  ILE  16          HG12      ILE  16  32.848  -6.565  14.242
  123   HG21  ILE  16          HG21      ILE  16  34.448  -5.396  16.448
  124   HG22  ILE  16          HG22      ILE  16  32.805  -5.883  16.867
  125   HG23  ILE  16          HG23      ILE  16  33.352  -4.242  17.211
  126   HD11  ILE  16          HD11      ILE  16  33.485  -5.823  11.956
  127   HD12  ILE  16          HD12      ILE  16  33.594  -4.167  12.547
  128   HD13  ILE  16          HD13      ILE  16  32.040  -5.001  12.541
  129    H    HIS  17           HN       HIS  17  31.022  -2.090  15.803
  130    HA   HIS  17           HA       HIS  17  30.735  -2.560  18.650
  131    HB2  HIS  17           HB3      HIS  17  31.038  -0.307  18.761
  132    HB3  HIS  17           HB2      HIS  17  31.133  -0.293  17.014
  133    HD1  HIS  17           HD1      HIS  17  29.076   0.577  15.707
  134    HD2  HIS  17           HD2      HIS  17  28.468   0.376  19.823
  135    HE1  HIS  17           HE1      HIS  17  26.912   1.801  16.163
  136    HE2  HIS  17           HE2      HIS  17  26.537   1.712  18.671
  137    H    ARG  18           HN       ARG  18  28.747  -3.101  16.034
  138    HA   ARG  18           HA       ARG  18  26.225  -2.682  17.552
  139    HB2  ARG  18           HB3      ARG  18  26.807  -3.426  14.684
  140    HB3  ARG  18           HB2      ARG  18  25.189  -3.524  15.385
  141    HG2  ARG  18           HG3      ARG  18  25.250  -1.165  15.971
  142    HG3  ARG  18           HG2      ARG  18  26.912  -1.034  15.403
  143    HD2  ARG  18           HD3      ARG  18  24.947  -0.287  13.822
  144    HD3  ARG  18           HD2      ARG  18  26.297  -1.200  13.150
  145    HE   ARG  18           HE       ARG  18  24.552  -3.187  13.843
  146   HH11  ARG  18          HH11      ARG  18  22.874  -3.927  12.521
  147   HH12  ARG  18          HH12      ARG  18  22.188  -2.864  11.338
  148   HH21  ARG  18          HH21      ARG  18  24.251  -0.198  12.153
  149   HH22  ARG  18          HH22      ARG  18  22.966  -0.752  11.131
  150    H    LEU  19           HN       LEU  19  28.373  -5.158  16.362
  151    HA   LEU  19           HA       LEU  19  26.694  -7.420  16.812
  152    HB2  LEU  19           HB3      LEU  19  28.657  -7.965  15.660
  153    HB3  LEU  19           HB2      LEU  19  29.650  -6.908  16.653
  154    HG   LEU  19           HG       LEU  19  29.496  -8.529  18.528
  155   HD11  LEU  19          HD11      LEU  19  28.446 -10.681  18.237
  156   HD12  LEU  19          HD12      LEU  19  28.141 -10.367  16.530
  157   HD13  LEU  19          HD13      LEU  19  27.249  -9.479  17.761
  158   HD21  LEU  19          HD21      LEU  19  30.873 -10.294  17.479
  159   HD22  LEU  19          HD22      LEU  19  31.349  -8.691  16.922
  160   HD23  LEU  19          HD23      LEU  19  30.372  -9.730  15.885
  161    H    ILE  20           HN       ILE  20  28.806  -5.518  18.920
  162    HA   ILE  20           HA       ILE  20  28.401  -7.179  21.260
  163    HB   ILE  20           HB       ILE  20  30.111  -5.828  21.963
  164   HG12  ILE  20          HG13      ILE  20  28.120  -3.524  21.937
  165   HG13  ILE  20          HG12      ILE  20  28.303  -4.669  23.265
  166   HG21  ILE  20          HG21      ILE  20  30.450  -5.228  19.626
  167   HG22  ILE  20          HG22      ILE  20  30.775  -3.834  20.650
  168   HG23  ILE  20          HG23      ILE  20  29.256  -3.956  19.778
  169   HD11  ILE  20          HD11      ILE  20  29.595  -2.735  23.834
  170   HD12  ILE  20          HD12      ILE  20  30.326  -2.673  22.230
  171   HD13  ILE  20          HD13      ILE  20  30.750  -3.974  23.343
  172    H    ARG  21           HN       ARG  21  26.902  -4.137  20.171
  173    HA   ARG  21           HA       ARG  21  25.068  -3.812  22.264
  174    HB2  ARG  21           HB3      ARG  21  24.771  -3.220  19.310
  175    HB3  ARG  21           HB2      ARG  21  23.593  -2.708  20.520
  176    HG2  ARG  21           HG3      ARG  21  25.286  -1.434  21.706
  177    HG3  ARG  21           HG2      ARG  21  26.542  -2.031  20.625
  178    HD2  ARG  21           HD3      ARG  21  25.997   0.133  19.817
  179    HD3  ARG  21           HD2      ARG  21  25.198  -0.988  18.723
  180    HE   ARG  21           HE       ARG  21  23.087  -0.320  19.609
  181   HH11  ARG  21          HH11      ARG  21  21.827   1.180  20.727
  182   HH12  ARG  21          HH12      ARG  21  22.579   2.256  21.857
  183   HH21  ARG  21          HH21      ARG  21  25.768   1.002  21.345
  184   HH22  ARG  21          HH22      ARG  21  24.805   2.159  22.201
  185    H    ARG  22           HN       ARG  22  24.859  -5.830  19.374
  186    HA   ARG  22           HA       ARG  22  22.210  -6.840  19.976
  187    HB2  ARG  22           HB3      ARG  22  24.458  -7.819  18.205
  188    HB3  ARG  22           HB2      ARG  22  22.933  -8.693  18.363
  189    HG2  ARG  22           HG3      ARG  22  21.679  -6.865  17.483
  190    HG3  ARG  22           HG2      ARG  22  23.043  -5.759  17.642
  191    HD2  ARG  22           HD3      ARG  22  23.189  -8.205  15.880
  192    HD3  ARG  22           HD2      ARG  22  22.556  -6.671  15.289
  193    HE   ARG  22           HE       ARG  22  25.167  -6.425  16.567
  194   HH11  ARG  22          HH11      ARG  22  26.864  -5.855  15.175
  195   HH12  ARG  22          HH12      ARG  22  26.635  -5.967  13.464
  196   HH21  ARG  22          HH21      ARG  22  23.373  -7.117  13.708
  197   HH22  ARG  22          HH22      ARG  22  24.660  -6.687  12.632
  198    H    ARG  23           HN       ARG  23  25.362  -7.416  21.183
  199    HA   ARG  23           HA       ARG  23  24.593 -10.043  22.378
  200    HB2  ARG  23           HB3      ARG  23  26.855  -9.611  21.166
  201    HB3  ARG  23           HB2      ARG  23  27.293  -8.709  22.613
  202    HG2  ARG  23           HG3      ARG  23  28.040 -10.784  23.303
  203    HG3  ARG  23           HG2      ARG  23  26.361 -10.951  23.813
  204    HD2  ARG  23           HD3      ARG  23  25.904 -11.921  21.489
  205    HD3  ARG  23           HD2      ARG  23  27.654 -12.012  21.292
  206    HE   ARG  23           HE       ARG  23  26.768 -13.252  23.765
  207   HH11  ARG  23          HH11      ARG  23  26.936 -15.506  23.858
  208   HH12  ARG  23          HH12      ARG  23  27.157 -16.405  22.393
  209   HH21  ARG  23          HH21      ARG  23  27.149 -13.598  20.357
  210   HH22  ARG  23          HH22      ARG  23  27.277 -15.324  20.411
  211    H    ARG  24           HN       ARG  24  23.519  -7.401  23.284
  212    HA   ARG  24           HA       ARG  24  24.819  -6.510  25.640
  213    HB2  ARG  24           HB3      ARG  24  22.428  -5.839  26.358
  214    HB3  ARG  24           HB2      ARG  24  23.066  -5.125  24.880
  215    HG2  ARG  24           HG3      ARG  24  21.883  -6.871  23.554
  216    HG3  ARG  24           HG2      ARG  24  21.199  -7.511  25.046
  217    HD2  ARG  24           HD3      ARG  24  19.521  -6.074  24.205
  218    HD3  ARG  24           HD2      ARG  24  20.324  -5.115  25.449
  219    HE   ARG  24           HE       ARG  24  21.727  -4.418  23.206
  220   HH11  ARG  24          HH11      ARG  24  21.111  -2.810  21.743
  221   HH12  ARG  24          HH12      ARG  24  19.437  -2.393  21.587
  222   HH21  ARG  24          HH21      ARG  24  18.372  -4.685  23.959
  223   HH22  ARG  24          HH22      ARG  24  17.887  -3.455  22.841
  224    H    ARG  25           HN       ARG  25  25.590  -8.502  26.577
  225    HA   ARG  25           HA       ARG  25  23.953 -10.649  27.437
  226    HB2  ARG  25           HB3      ARG  25  26.403  -9.643  28.903
  227    HB3  ARG  25           HB2      ARG  25  25.790 -11.296  28.833
  228    HG2  ARG  25           HG3      ARG  25  26.149 -11.186  26.310
  229    HG3  ARG  25           HG2      ARG  25  27.044  -9.693  26.595
  230    HD2  ARG  25           HD3      ARG  25  28.628 -11.531  26.534
  231    HD3  ARG  25           HD2      ARG  25  28.513 -10.952  28.197
  232    HE   ARG  25           HE       ARG  25  26.621 -13.026  27.941
  233   HH11  ARG  25          HH11      ARG  25  27.147 -15.127  28.589
  234   HH12  ARG  25          HH12      ARG  25  28.810 -15.599  28.685
  235   HH21  ARG  25          HH21      ARG  25  30.016 -12.509  27.667
  236   HH22  ARG  25          HH22      ARG  25  30.437 -14.115  28.162
  Start of MODEL    5
    1    H1   PHE   1           H1       PHE   1  45.943   7.668  15.879
    2    H2   PHE   1           H2       PHE   1  45.971   6.364  16.968
    3    H3   PHE   1           H3       PHE   1  46.518   7.895  17.459
    4    HA   PHE   1           HA       PHE   1  43.731   7.106  16.817
    5    HB2  PHE   1           HB3      PHE   1  45.138   8.042  19.333
    6    HB3  PHE   1           HB2      PHE   1  43.387   7.906  19.185
    7    HD1  PHE   1           HD1      PHE   1  46.532   6.098  19.579
    8    HD2  PHE   1           HD2      PHE   1  42.329   5.678  18.788
    9    HE1  PHE   1           HE1      PHE   1  46.674   3.677  20.100
   10    HE2  PHE   1           HE2      PHE   1  42.474   3.258  19.310
   11    HZ   PHE   1           HZ       PHE   1  44.645   2.257  19.966
   12    H    ILE   2           HN       ILE   2  44.949   9.050  15.183
   13    HA   ILE   2           HA       ILE   2  44.487  11.701  16.309
   14    HB   ILE   2           HB       ILE   2  44.848  10.908  13.401
   15   HG12  ILE   2          HG13      ILE   2  46.943  11.821  15.392
   16   HG13  ILE   2          HG12      ILE   2  46.693  10.137  14.931
   17   HG21  ILE   2          HG21      ILE   2  43.964  13.282  14.146
   18   HG22  ILE   2          HG22      ILE   2  45.261  13.175  12.964
   19   HG23  ILE   2          HG23      ILE   2  45.631  13.540  14.648
   20   HD11  ILE   2          HD11      ILE   2  47.476  12.424  13.103
   21   HD12  ILE   2          HD12      ILE   2  47.047  10.811  12.534
   22   HD13  ILE   2          HD13      ILE   2  48.471  11.038  13.550
   23    H    HIS   3           HN       HIS   3  43.153  11.285  13.143
   24    HA   HIS   3           HA       HIS   3  40.397  11.003  14.127
   25    HB2  HIS   3           HB3      HIS   3  39.671  13.137  13.087
   26    HB3  HIS   3           HB2      HIS   3  40.765  13.384  14.443
   27    HD1  HIS   3           HD1      HIS   3  40.647  15.678  12.576
   28    HD2  HIS   3           HD2      HIS   3  43.250  12.490  11.874
   29    HE1  HIS   3           HE1      HIS   3  42.464  16.551  11.044
   30    HE2  HIS   3           HE2      HIS   3  44.046  14.619  10.610
   31    H    HIS   4           HN       HIS   4  42.728  10.823  11.658
   32    HA   HIS   4           HA       HIS   4  40.660  10.190   9.587
   33    HB2  HIS   4           HB3      HIS   4  42.362  10.548   7.937
   34    HB3  HIS   4           HB2      HIS   4  42.474  11.895   9.067
   35    HD1  HIS   4           HD1      HIS   4  44.786  12.345   9.894
   36    HD2  HIS   4           HD2      HIS   4  44.292   8.367   8.765
   37    HE1  HIS   4           HE1      HIS   4  47.045  11.232  10.197
   38    HE2  HIS   4           HE2      HIS   4  46.758   8.807   9.508
   39    H    ILE   5           HN       ILE   5  42.821   8.805  11.789
   40    HA   ILE   5           HA       ILE   5  43.233   6.342  10.242
   41    HB   ILE   5           HB       ILE   5  44.600   5.616  12.024
   42   HG12  ILE   5          HG13      ILE   5  43.050   5.929  13.909
   43   HG13  ILE   5          HG12      ILE   5  44.602   6.664  14.274
   44   HG21  ILE   5          HG21      ILE   5  45.543   7.548  10.844
   45   HG22  ILE   5          HG22      ILE   5  46.038   7.558  12.536
   46   HG23  ILE   5          HG23      ILE   5  44.764   8.644  11.985
   47   HD11  ILE   5          HD11      ILE   5  42.841   8.189  14.944
   48   HD12  ILE   5          HD12      ILE   5  42.114   8.108  13.352
   49   HD13  ILE   5          HD13      ILE   5  43.680   8.878  13.559
   50    H    ILE   6           HN       ILE   6  40.713   7.688  11.997
   51    HA   ILE   6           HA       ILE   6  39.712   5.128  13.083
   52    HB   ILE   6           HB       ILE   6  37.643   6.803  13.501
   53   HG12  ILE   6          HG13      ILE   6  39.938   8.761  13.583
   54   HG13  ILE   6          HG12      ILE   6  39.009   8.557  12.103
   55   HG21  ILE   6          HG21      ILE   6  40.250   6.904  15.044
   56   HG22  ILE   6          HG22      ILE   6  38.972   5.705  15.254
   57   HG23  ILE   6          HG23      ILE   6  38.672   7.395  15.661
   58   HD11  ILE   6          HD11      ILE   6  38.160  10.390  13.592
   59   HD12  ILE   6          HD12      ILE   6  37.777   9.163  14.799
   60   HD13  ILE   6          HD13      ILE   6  36.959   9.148  13.236
   61    H    GLY   7           HN       GLY   7  38.644   7.559  10.697
   62    HA2  GLY   7           HA3      GLY   7  36.451   6.070   9.673
   63    HA3  GLY   7           HA2      GLY   7  37.340   7.299   8.763
   64    H    GLY   8           HN       GLY   8  39.593   5.206   9.784
   65    HA2  GLY   8           HA3      GLY   8  39.784   3.900   7.142
   66    HA3  GLY   8           HA2      GLY   8  40.992   3.817   8.432
   67    H    LEU   9           HN       LEU   9  39.229   3.040  10.521
   68    HA   LEU   9           HA       LEU   9  38.232   0.361   9.634
   69    HB2  LEU   9           HB3      LEU   9  39.079  -0.413  11.964
   70    HB3  LEU   9           HB2      LEU   9  40.263  -0.247  10.672
   71    HG   LEU   9           HG       LEU   9  39.745   2.193  12.333
   72   HD11  LEU   9          HD11      LEU   9  41.324  -0.194  13.340
   73   HD12  LEU   9          HD12      LEU   9  39.864   0.474  14.071
   74   HD13  LEU   9          HD13      LEU   9  41.358   1.414  14.064
   75   HD21  LEU   9          HD21      LEU   9  41.396   2.174  10.468
   76   HD22  LEU   9          HD22      LEU   9  42.284   0.891  11.286
   77   HD23  LEU   9          HD23      LEU   9  42.169   2.489  12.020
   78    H    PHE  10           HN       PHE  10  38.167   3.005  11.962
   79    HA   PHE  10           HA       PHE  10  36.165   2.252  13.715
   80    HB2  PHE  10           HB3      PHE  10  37.507   4.475  13.441
   81    HB3  PHE  10           HB2      PHE  10  36.154   4.992  12.434
   82    HD1  PHE  10           HD1      PHE  10  34.139   5.754  13.435
   83    HD2  PHE  10           HD2      PHE  10  37.024   3.618  15.788
   84    HE1  PHE  10           HE1      PHE  10  32.841   6.265  15.491
   85    HE2  PHE  10           HE2      PHE  10  35.729   4.127  17.843
   86    HZ   PHE  10           HZ       PHE  10  33.637   5.450  17.694
   87    H    SER  11           HN       SER  11  35.859   2.940  10.300
   88    HA   SER  11           HA       SER  11  33.056   3.483  10.206
   89    HB2  SER  11           HB3      SER  11  34.807   2.126   8.133
   90    HB3  SER  11           HB2      SER  11  33.207   2.806   7.834
   91    HG   SER  11           HG       SER  11  34.735   4.606   9.097
   92    H    ALA  12           HN       ALA  12  34.783   0.385   9.660
   93    HA   ALA  12           HA       ALA  12  32.245  -1.084   9.794
   94    HB1  ALA  12           HB1      ALA  12  35.058  -2.208   9.843
   95    HB2  ALA  12           HB2      ALA  12  34.179  -1.837   8.359
   96    HB3  ALA  12           HB3      ALA  12  33.572  -3.075   9.459
   97    H    GLY  13           HN       GLY  13  34.988  -0.340  11.860
   98    HA2  GLY  13           HA3      GLY  13  34.613  -2.165  13.952
   99    HA3  GLY  13           HA2      GLY  13  35.145  -0.495  14.203
  100    H    LYS  14           HN       LYS  14  32.905   0.863  13.271
  101    HA   LYS  14           HA       LYS  14  31.193   0.923  15.546
  102    HB2  LYS  14           HB3      LYS  14  30.838   1.863  12.691
  103    HB3  LYS  14           HB2      LYS  14  29.582   2.100  13.907
  104    HG2  LYS  14           HG3      LYS  14  30.944   3.506  15.226
  105    HG3  LYS  14           HG2      LYS  14  32.429   2.953  14.445
  106    HD2  LYS  14           HD3      LYS  14  31.743   5.232  13.701
  107    HD3  LYS  14           HD2      LYS  14  31.803   4.073  12.373
  108    HE2  LYS  14           HE3      LYS  14  29.735   5.575  12.455
  109    HE3  LYS  14           HE2      LYS  14  29.428   3.842  12.340
  110    HZ1  LYS  14           HZ1      LYS  14  28.139   5.167  14.074
  111    HZ2  LYS  14           HZ2      LYS  14  29.590   5.199  14.957
  112    HZ3  LYS  14           HZ3      LYS  14  28.857   3.715  14.573
  113    H    ALA  15           HN       ALA  15  30.701  -0.566  12.349
  114    HA   ALA  15           HA       ALA  15  28.167  -1.746  12.848
  115    HB1  ALA  15           HB1      ALA  15  28.788  -3.341  11.055
  116    HB2  ALA  15           HB2      ALA  15  30.446  -2.746  11.127
  117    HB3  ALA  15           HB3      ALA  15  29.147  -1.674  10.607
  118    H    ILE  16           HN       ILE  16  31.471  -2.910  13.508
  119    HA   ILE  16           HA       ILE  16  30.456  -5.470  14.490
  120    HB   ILE  16           HB       ILE  16  33.164  -4.101  14.647
  121   HG12  ILE  16          HG13      ILE  16  33.743  -6.313  13.386
  122   HG13  ILE  16          HG12      ILE  16  32.007  -6.451  13.131
  123   HG21  ILE  16          HG21      ILE  16  33.931  -6.367  15.591
  124   HG22  ILE  16          HG22      ILE  16  32.232  -6.659  15.964
  125   HG23  ILE  16          HG23      ILE  16  33.076  -5.297  16.703
  126   HD11  ILE  16          HD11      ILE  16  33.215  -5.311  11.253
  127   HD12  ILE  16          HD12      ILE  16  33.650  -4.021  12.371
  128   HD13  ILE  16          HD13      ILE  16  31.956  -4.317  11.980
  129    H    HIS  17           HN       HIS  17  31.122  -2.299  15.731
  130    HA   HIS  17           HA       HIS  17  31.022  -3.071  18.526
  131    HB2  HIS  17           HB3      HIS  17  31.658  -0.910  18.856
  132    HB3  HIS  17           HB2      HIS  17  31.612  -0.693  17.119
  133    HD1  HIS  17           HD1      HIS  17  29.592   0.584  16.120
  134    HD2  HIS  17           HD2      HIS  17  29.325  -0.006  20.234
  135    HE1  HIS  17           HE1      HIS  17  27.684   2.037  16.920
  136    HE2  HIS  17           HE2      HIS  17  27.520   1.708  19.431
  137    H    ARG  18           HN       ARG  18  28.770  -3.001  16.075
  138    HA   ARG  18           HA       ARG  18  26.466  -2.435  17.872
  139    HB2  ARG  18           HB3      ARG  18  26.699  -2.916  14.898
  140    HB3  ARG  18           HB2      ARG  18  25.149  -2.875  15.740
  141    HG2  ARG  18           HG3      ARG  18  25.549  -0.627  16.518
  142    HG3  ARG  18           HG2      ARG  18  27.201  -0.657  15.901
  143    HD2  ARG  18           HD3      ARG  18  25.158   0.444  14.504
  144    HD3  ARG  18           HD2      ARG  18  26.535  -0.320  13.712
  145    HE   ARG  18           HE       ARG  18  24.471  -2.255  14.286
  146   HH11  ARG  18          HH11      ARG  18  23.305  -3.037  12.511
  147   HH12  ARG  18          HH12      ARG  18  23.331  -2.155  11.021
  148   HH21  ARG  18          HH21      ARG  18  25.420   0.337  12.228
  149   HH22  ARG  18          HH22      ARG  18  24.529  -0.243  10.860
  150    H    LEU  19           HN       LEU  19  28.146  -5.012  16.229
  151    HA   LEU  19           HA       LEU  19  26.207  -7.074  16.571
  152    HB2  LEU  19           HB3      LEU  19  27.987  -7.730  15.204
  153    HB3  LEU  19           HB2      LEU  19  29.184  -6.928  16.208
  154    HG   LEU  19           HG       LEU  19  28.951  -8.724  17.911
  155   HD11  LEU  19          HD11      LEU  19  27.602 -10.672  17.498
  156   HD12  LEU  19          HD12      LEU  19  27.240 -10.154  15.853
  157   HD13  LEU  19          HD13      LEU  19  26.546  -9.290  17.222
  158   HD21  LEU  19          HD21      LEU  19  30.682  -8.972  16.245
  159   HD22  LEU  19          HD22      LEU  19  29.526  -9.592  15.066
  160   HD23  LEU  19          HD23      LEU  19  29.935 -10.551  16.488
  161    H    ILE  20           HN       ILE  20  28.697  -5.726  18.687
  162    HA   ILE  20           HA       ILE  20  28.228  -7.596  20.857
  163    HB   ILE  20           HB       ILE  20  30.165  -6.590  21.552
  164   HG12  ILE  20          HG13      ILE  20  28.542  -4.042  21.939
  165   HG13  ILE  20          HG12      ILE  20  28.651  -5.346  23.120
  166   HG21  ILE  20          HG21      ILE  20  29.462  -4.364  19.663
  167   HG22  ILE  20          HG22      ILE  20  30.422  -5.774  19.263
  168   HG23  ILE  20          HG23      ILE  20  31.039  -4.581  20.402
  169   HD11  ILE  20          HD11      ILE  20  30.267  -3.769  23.820
  170   HD12  ILE  20          HD12      ILE  20  30.810  -3.468  22.169
  171   HD13  ILE  20          HD13      ILE  20  31.206  -4.993  22.964
  172    H    ARG  21           HN       ARG  21  27.118  -4.267  20.243
  173    HA   ARG  21           HA       ARG  21  25.509  -3.971  22.527
  174    HB2  ARG  21           HB3      ARG  21  25.095  -2.928  19.714
  175    HB3  ARG  21           HB2      ARG  21  24.132  -2.407  21.100
  176    HG2  ARG  21           HG3      ARG  21  26.120  -1.598  22.240
  177    HG3  ARG  21           HG2      ARG  21  27.152  -2.238  20.965
  178    HD2  ARG  21           HD3      ARG  21  26.914   0.090  20.513
  179    HD3  ARG  21           HD2      ARG  21  25.880  -0.740  19.356
  180    HE   ARG  21           HE       ARG  21  23.968   0.110  20.494
  181   HH11  ARG  21          HH11      ARG  21  23.036   1.594  21.910
  182   HH12  ARG  21          HH12      ARG  21  24.017   2.359  23.115
  183   HH21  ARG  21          HH21      ARG  21  26.926   0.731  22.169
  184   HH22  ARG  21          HH22      ARG  21  26.215   1.872  23.260
  185    H    ARG  22           HN       ARG  22  24.823  -5.522  19.439
  186    HA   ARG  22           HA       ARG  22  22.082  -6.204  20.087
  187    HB2  ARG  22           HB3      ARG  22  24.081  -7.265  18.077
  188    HB3  ARG  22           HB2      ARG  22  22.466  -7.957  18.242
  189    HG2  ARG  22           HG3      ARG  22  21.406  -5.942  17.598
  190    HG3  ARG  22           HG2      ARG  22  22.863  -4.985  17.873
  191    HD2  ARG  22           HD3      ARG  22  22.472  -5.336  15.463
  192    HD3  ARG  22           HD2      ARG  22  23.969  -6.106  15.985
  193    HE   ARG  22           HE       ARG  22  22.022  -8.096  16.201
  194   HH11  ARG  22          HH11      ARG  22  21.634  -9.540  14.504
  195   HH12  ARG  22          HH12      ARG  22  22.044  -9.083  12.885
  196   HH21  ARG  22          HH21      ARG  22  23.251  -5.960  13.790
  197   HH22  ARG  22          HH22      ARG  22  22.964  -7.056  12.481
  198    H    ARG  23           HN       ARG  23  25.167  -7.338  21.006
  199    HA   ARG  23           HA       ARG  23  24.080  -9.928  22.029
  200    HB2  ARG  23           HB3      ARG  23  26.294  -9.677  20.628
  201    HB3  ARG  23           HB2      ARG  23  26.983  -9.100  22.142
  202    HG2  ARG  23           HG3      ARG  23  27.396 -11.371  22.392
  203    HG3  ARG  23           HG2      ARG  23  25.790 -11.299  23.116
  204    HD2  ARG  23           HD3      ARG  23  24.842 -11.817  20.826
  205    HD3  ARG  23           HD2      ARG  23  26.495 -12.115  20.286
  206    HE   ARG  23           HE       ARG  23  26.222 -13.710  22.544
  207   HH11  ARG  23          HH11      ARG  23  25.512 -15.850  22.436
  208   HH12  ARG  23          HH12      ARG  23  24.536 -16.359  21.098
  209   HH21  ARG  23          HH21      ARG  23  24.537 -13.245  19.571
  210   HH22  ARG  23          HH22      ARG  23  23.986 -14.884  19.476
  211    H    ARG  24           HN       ARG  24  23.413  -7.367  23.288
  212    HA   ARG  24           HA       ARG  24  25.053  -6.757  25.512
  213    HB2  ARG  24           HB3      ARG  24  22.783  -6.030  26.558
  214    HB3  ARG  24           HB2      ARG  24  23.326  -5.217  25.092
  215    HG2  ARG  24           HG3      ARG  24  21.865  -6.507  23.713
  216    HG3  ARG  24           HG2      ARG  24  21.513  -7.635  25.023
  217    HD2  ARG  24           HD3      ARG  24  20.784  -4.694  25.011
  218    HD3  ARG  24           HD2      ARG  24  19.664  -6.020  24.698
  219    HE   ARG  24           HE       ARG  24  21.065  -6.258  27.252
  220   HH11  ARG  24          HH11      ARG  24  19.769  -6.064  29.089
  221   HH12  ARG  24          HH12      ARG  24  18.162  -5.433  28.938
  222   HH21  ARG  24          HH21      ARG  24  18.386  -4.954  25.511
  223   HH22  ARG  24          HH22      ARG  24  17.381  -4.803  26.913
  224    H    ARG  25           HN       ARG  25  25.788  -8.867  26.211
  225    HA   ARG  25           HA       ARG  25  24.099 -10.958  27.124
  226    HB2  ARG  25           HB3      ARG  25  26.774 -10.249  28.350
  227    HB3  ARG  25           HB2      ARG  25  26.031 -11.844  28.222
  228    HG2  ARG  25           HG3      ARG  25  26.147 -11.612  25.715
  229    HG3  ARG  25           HG2      ARG  25  27.084 -10.137  25.952
  230    HD2  ARG  25           HD3      ARG  25  28.806 -11.377  27.155
  231    HD3  ARG  25           HD2      ARG  25  27.853 -12.857  27.048
  232    HE   ARG  25           HE       ARG  25  28.602 -13.107  24.825
  233   HH11  ARG  25          HH11      ARG  25  29.749 -12.435  22.997
  234   HH12  ARG  25          HH12      ARG  25  30.340 -10.809  22.912
  235   HH21  ARG  25          HH21      ARG  25  29.080  -9.908  26.012
  236   HH22  ARG  25          HH22      ARG  25  29.962  -9.379  24.618
  Start of MODEL    6
    1    H1   PHE   1           H1       PHE   1  46.682   8.465  17.496
    2    H2   PHE   1           H2       PHE   1  46.595   6.856  16.960
    3    H3   PHE   1           H3       PHE   1  46.237   7.237  18.577
    4    HA   PHE   1           HA       PHE   1  44.504   7.164  16.362
    5    HB2  PHE   1           HB3      PHE   1  44.230   7.771  19.315
    6    HB3  PHE   1           HB2      PHE   1  42.842   7.682  18.229
    7    HD1  PHE   1           HD1      PHE   1  42.649   5.541  16.752
    8    HD2  PHE   1           HD2      PHE   1  45.065   5.798  20.296
    9    HE1  PHE   1           HE1      PHE   1  42.653   3.068  16.930
   10    HE2  PHE   1           HE2      PHE   1  45.067   3.325  20.473
   11    HZ   PHE   1           HZ       PHE   1  43.861   1.959  18.790
   12    H    ILE   2           HN       ILE   2  45.005   9.004  15.009
   13    HA   ILE   2           HA       ILE   2  44.773  11.703  16.143
   14    HB   ILE   2           HB       ILE   2  44.970  10.831  13.241
   15   HG12  ILE   2          HG13      ILE   2  47.187  11.850  15.031
   16   HG13  ILE   2          HG12      ILE   2  46.869  10.131  14.802
   17   HG21  ILE   2          HG21      ILE   2  45.380  13.075  12.699
   18   HG22  ILE   2          HG22      ILE   2  45.837  13.500  14.346
   19   HG23  ILE   2          HG23      ILE   2  44.146  13.246  13.942
   20   HD11  ILE   2          HD11      ILE   2  47.463  12.106  12.580
   21   HD12  ILE   2          HD12      ILE   2  47.184  10.376  12.379
   22   HD13  ILE   2          HD13      ILE   2  48.612  10.943  13.243
   23    H    HIS   3           HN       HIS   3  43.240  11.152  13.065
   24    HA   HIS   3           HA       HIS   3  40.541  11.037  14.194
   25    HB2  HIS   3           HB3      HIS   3  39.832  13.190  13.236
   26    HB3  HIS   3           HB2      HIS   3  41.090  13.417  14.446
   27    HD1  HIS   3           HD1      HIS   3  40.737  15.609  12.389
   28    HD2  HIS   3           HD2      HIS   3  43.329  12.393  11.787
   29    HE1  HIS   3           HE1      HIS   3  42.455  16.368  10.690
   30    HE2  HIS   3           HE2      HIS   3  44.015  14.412  10.299
   31    H    HIS   4           HN       HIS   4  42.731  10.749  11.610
   32    HA   HIS   4           HA       HIS   4  40.533  10.169   9.660
   33    HB2  HIS   4           HB3      HIS   4  42.139  10.483   7.912
   34    HB3  HIS   4           HB2      HIS   4  42.352  11.831   9.027
   35    HD1  HIS   4           HD1      HIS   4  44.717  12.224   9.719
   36    HD2  HIS   4           HD2      HIS   4  44.067   8.259   8.621
   37    HE1  HIS   4           HE1      HIS   4  46.965  11.064   9.876
   38    HE2  HIS   4           HE2      HIS   4  46.583   8.646   9.206
   39    H    ILE   5           HN       ILE   5  42.879   8.756  11.688
   40    HA   ILE   5           HA       ILE   5  43.120   6.288  10.133
   41    HB   ILE   5           HB       ILE   5  44.544   5.510  11.852
   42   HG12  ILE   5          HG13      ILE   5  43.109   5.860  13.808
   43   HG13  ILE   5          HG12      ILE   5  44.685   6.583  14.096
   44   HG21  ILE   5          HG21      ILE   5  45.477   7.415  10.618
   45   HG22  ILE   5          HG22      ILE   5  46.068   7.402  12.278
   46   HG23  ILE   5          HG23      ILE   5  44.801   8.531  11.803
   47   HD11  ILE   5          HD11      ILE   5  43.727   8.798  13.362
   48   HD12  ILE   5          HD12      ILE   5  43.018   8.152  14.839
   49   HD13  ILE   5          HD13      ILE   5  42.148   8.026  13.321
   50    H    ILE   6           HN       ILE   6  40.688   7.681  11.915
   51    HA   ILE   6           HA       ILE   6  39.678   5.171  13.103
   52    HB   ILE   6           HB       ILE   6  37.640   6.893  13.506
   53   HG12  ILE   6          HG13      ILE   6  39.988   8.792  13.474
   54   HG13  ILE   6          HG12      ILE   6  38.981   8.587  12.045
   55   HG21  ILE   6          HG21      ILE   6  38.986   5.811  15.262
   56   HG22  ILE   6          HG22      ILE   6  38.698   7.510  15.638
   57   HG23  ILE   6          HG23      ILE   6  40.267   6.998  15.013
   58   HD11  ILE   6          HD11      ILE   6  38.300  10.468  13.617
   59   HD12  ILE   6          HD12      ILE   6  37.835   9.215  14.768
   60   HD13  ILE   6          HD13      ILE   6  37.027   9.320  13.203
   61    H    GLY   7           HN       GLY   7  38.574   7.553  10.678
   62    HA2  GLY   7           HA3      GLY   7  36.373   6.018   9.731
   63    HA3  GLY   7           HA2      GLY   7  37.232   7.236   8.776
   64    H    GLY   8           HN       GLY   8  39.527   5.191   9.806
   65    HA2  GLY   8           HA3      GLY   8  39.689   3.824   7.195
   66    HA3  GLY   8           HA2      GLY   8  40.922   3.792   8.462
   67    H    LEU   9           HN       LEU   9  39.228   3.043  10.606
   68    HA   LEU   9           HA       LEU   9  38.258   0.320   9.817
   69    HB2  LEU   9           HB3      LEU   9  39.106  -0.335  12.191
   70    HB3  LEU   9           HB2      LEU   9  40.282  -0.232  10.886
   71    HG   LEU   9           HG       LEU   9  39.765   2.296  12.409
   72   HD11  LEU   9          HD11      LEU   9  39.881   0.806  14.289
   73   HD12  LEU   9          HD12      LEU   9  41.467   1.561  14.141
   74   HD13  LEU   9          HD13      LEU   9  41.221  -0.091  13.575
   75   HD21  LEU   9          HD21      LEU   9  42.236   2.500  12.127
   76   HD22  LEU   9          HD22      LEU   9  41.412   2.249  10.590
   77   HD23  LEU   9          HD23      LEU   9  42.262   0.912  11.364
   78    H    PHE  10           HN       PHE  10  38.149   3.047  12.053
   79    HA   PHE  10           HA       PHE  10  36.112   2.310  13.791
   80    HB2  PHE  10           HB3      PHE  10  37.467   4.536  13.496
   81    HB3  PHE  10           HB2      PHE  10  36.117   5.032  12.479
   82    HD1  PHE  10           HD1      PHE  10  36.715   3.359  15.792
   83    HD2  PHE  10           HD2      PHE  10  34.364   6.165  13.543
   84    HE1  PHE  10           HE1      PHE  10  35.421   3.913  17.836
   85    HE2  PHE  10           HE2      PHE  10  33.070   6.718  15.588
   86    HZ   PHE  10           HZ       PHE  10  33.598   5.592  17.733
   87    H    SER  11           HN       SER  11  35.907   3.075  10.376
   88    HA   SER  11           HA       SER  11  33.106   3.540  10.168
   89    HB2  SER  11           HB3      SER  11  34.820   2.104   8.122
   90    HB3  SER  11           HB2      SER  11  33.349   3.031   7.822
   91    HG   SER  11           HG       SER  11  35.827   3.904   7.841
   92    H    ALA  12           HN       ALA  12  34.969   0.504   9.927
   93    HA   ALA  12           HA       ALA  12  32.487  -1.081   9.847
   94    HB1  ALA  12           HB1      ALA  12  34.008  -3.028   9.848
   95    HB2  ALA  12           HB2      ALA  12  35.384  -1.952  10.095
   96    HB3  ALA  12           HB3      ALA  12  34.461  -1.876   8.593
   97    H    GLY  13           HN       GLY  13  34.968  -0.073  12.106
   98    HA2  GLY  13           HA3      GLY  13  34.548  -1.822  14.253
   99    HA3  GLY  13           HA2      GLY  13  34.918  -0.103  14.459
  100    H    LYS  14           HN       LYS  14  32.686   1.031  13.276
  101    HA   LYS  14           HA       LYS  14  30.758   1.095  15.356
  102    HB2  LYS  14           HB3      LYS  14  30.532   1.700  12.394
  103    HB3  LYS  14           HB2      LYS  14  29.202   1.972  13.519
  104    HG2  LYS  14           HG3      LYS  14  30.382   3.628  14.715
  105    HG3  LYS  14           HG2      LYS  14  31.942   3.112  14.068
  106    HD2  LYS  14           HD3      LYS  14  31.528   4.076  11.955
  107    HD3  LYS  14           HD2      LYS  14  29.789   4.162  12.229
  108    HE2  LYS  14           HE3      LYS  14  31.688   5.716  13.981
  109    HE3  LYS  14           HE2      LYS  14  31.177   6.356  12.420
  110    HZ1  LYS  14           HZ1      LYS  14  29.596   7.174  13.870
  111    HZ2  LYS  14           HZ2      LYS  14  29.541   5.751  14.796
  112    HZ3  LYS  14           HZ3      LYS  14  28.832   5.791  13.253
  113    H    ALA  15           HN       ALA  15  30.622  -0.656  12.251
  114    HA   ALA  15           HA       ALA  15  28.189  -2.046  12.697
  115    HB1  ALA  15           HB1      ALA  15  30.657  -2.888  11.157
  116    HB2  ALA  15           HB2      ALA  15  29.247  -2.053  10.506
  117    HB3  ALA  15           HB3      ALA  15  29.104  -3.717  11.074
  118    H    ILE  16           HN       ILE  16  31.541  -2.841  13.600
  119    HA   ILE  16           HA       ILE  16  30.727  -5.420  14.702
  120    HB   ILE  16           HB       ILE  16  33.270  -3.769  14.881
  121   HG12  ILE  16          HG13      ILE  16  34.140  -5.988  13.828
  122   HG13  ILE  16          HG12      ILE  16  32.444  -6.339  13.517
  123   HG21  ILE  16          HG21      ILE  16  33.202  -4.806  17.021
  124   HG22  ILE  16          HG22      ILE  16  34.216  -5.862  16.038
  125   HG23  ILE  16          HG23      ILE  16  32.539  -6.301  16.363
  126   HD11  ILE  16          HD11      ILE  16  32.222  -4.296  12.204
  127   HD12  ILE  16          HD12      ILE  16  33.587  -5.227  11.593
  128   HD13  ILE  16          HD13      ILE  16  33.869  -3.820  12.617
  129    H    HIS  17           HN       HIS  17  30.964  -2.128  15.748
  130    HA   HIS  17           HA       HIS  17  30.795  -2.722  18.584
  131    HB2  HIS  17           HB3      HIS  17  31.183  -0.487  18.794
  132    HB3  HIS  17           HB2      HIS  17  31.215  -0.388  17.047
  133    HD1  HIS  17           HD1      HIS  17  29.144   0.610  15.865
  134    HD2  HIS  17           HD2      HIS  17  28.691   0.228  19.986
  135    HE1  HIS  17           HE1      HIS  17  27.025   1.852  16.459
  136    HE2  HIS  17           HE2      HIS  17  26.741   1.648  18.976
  137    H    ARG  18           HN       ARG  18  28.686  -3.014  16.006
  138    HA   ARG  18           HA       ARG  18  26.239  -2.602  17.640
  139    HB2  ARG  18           HB3      ARG  18  26.682  -3.243  14.721
  140    HB3  ARG  18           HB2      ARG  18  25.090  -3.284  15.484
  141    HG2  ARG  18           HG3      ARG  18  25.303  -0.956  16.157
  142    HG3  ARG  18           HG2      ARG  18  26.946  -0.892  15.525
  143    HD2  ARG  18           HD3      ARG  18  24.929   0.005  14.064
  144    HD3  ARG  18           HD2      ARG  18  26.237  -0.899  13.301
  145    HE   ARG  18           HE       ARG  18  24.481  -2.889  13.943
  146   HH11  ARG  18          HH11      ARG  18  22.745  -3.531  12.650
  147   HH12  ARG  18          HH12      ARG  18  22.023  -2.392  11.563
  148   HH21  ARG  18          HH21      ARG  18  24.151   0.199  12.446
  149   HH22  ARG  18          HH22      ARG  18  22.818  -0.279  11.451
  150    H    LEU  19           HN       LEU  19  28.267  -5.083  16.279
  151    HA   LEU  19           HA       LEU  19  26.513  -7.304  16.660
  152    HB2  LEU  19           HB3      LEU  19  28.418  -7.854  15.416
  153    HB3  LEU  19           HB2      LEU  19  29.481  -6.892  16.432
  154    HG   LEU  19           HG       LEU  19  29.323  -8.606  18.218
  155   HD11  LEU  19          HD11      LEU  19  28.175 -10.697  17.850
  156   HD12  LEU  19          HD12      LEU  19  27.825 -10.277  16.174
  157   HD13  LEU  19          HD13      LEU  19  27.014  -9.426  17.483
  158   HD21  LEU  19          HD21      LEU  19  30.087  -9.616  15.465
  159   HD22  LEU  19          HD22      LEU  19  30.535 -10.410  16.974
  160   HD23  LEU  19          HD23      LEU  19  31.137  -8.792  16.618
  161    H    ILE  20           HN       ILE  20  28.759  -5.593  18.792
  162    HA   ILE  20           HA       ILE  20  28.355  -7.358  21.059
  163    HB   ILE  20           HB       ILE  20  30.145  -6.129  21.783
  164   HG12  ILE  20          HG13      ILE  20  28.283  -3.722  21.897
  165   HG13  ILE  20          HG12      ILE  20  28.438  -4.925  23.175
  166   HG21  ILE  20          HG21      ILE  20  30.461  -5.456  19.462
  167   HG22  ILE  20          HG22      ILE  20  30.886  -4.122  20.529
  168   HG23  ILE  20          HG23      ILE  20  29.342  -4.128  19.693
  169   HD11  ILE  20          HD11      ILE  20  30.939  -4.359  23.169
  170   HD12  ILE  20          HD12      ILE  20  29.856  -3.125  23.811
  171   HD13  ILE  20          HD13      ILE  20  30.508  -2.964  22.181
  172    H    ARG  21           HN       ARG  21  26.970  -4.195  20.184
  173    HA   ARG  21           HA       ARG  21  25.220  -3.940  22.366
  174    HB2  ARG  21           HB3      ARG  21  24.865  -3.083  19.485
  175    HB3  ARG  21           HB2      ARG  21  23.791  -2.583  20.794
  176    HG2  ARG  21           HG3      ARG  21  25.618  -1.527  21.975
  177    HG3  ARG  21           HG2      ARG  21  26.787  -2.158  20.817
  178    HD2  ARG  21           HD3      ARG  21  26.193   0.232  20.401
  179    HD3  ARG  21           HD2      ARG  21  25.821  -0.818  19.039
  180    HE   ARG  21           HE       ARG  21  23.499  -0.676  20.656
  181   HH11  ARG  21          HH11      ARG  21  21.827   0.724  20.068
  182   HH12  ARG  21          HH12      ARG  21  22.163   2.062  19.020
  183   HH21  ARG  21          HH21      ARG  21  25.535   1.313  18.710
  184   HH22  ARG  21          HH22      ARG  21  24.263   2.396  18.251
  185    H    ARG  22           HN       ARG  22  24.838  -5.679  19.325
  186    HA   ARG  22           HA       ARG  22  22.141  -6.589  19.900
  187    HB2  ARG  22           HB3      ARG  22  24.290  -7.477  17.967
  188    HB3  ARG  22           HB2      ARG  22  22.761  -8.346  18.111
  189    HG2  ARG  22           HG3      ARG  22  21.508  -6.347  17.534
  190    HG3  ARG  22           HG2      ARG  22  22.982  -5.376  17.545
  191    HD2  ARG  22           HD3      ARG  22  22.270  -6.035  15.242
  192    HD3  ARG  22           HD2      ARG  22  23.877  -6.627  15.664
  193    HE   ARG  22           HE       ARG  22  22.223  -8.719  16.378
  194   HH11  ARG  22          HH11      ARG  22  21.618 -10.365  14.953
  195   HH12  ARG  22          HH12      ARG  22  21.623 -10.063  13.248
  196   HH21  ARG  22          HH21      ARG  22  22.694  -6.778  13.568
  197   HH22  ARG  22          HH22      ARG  22  22.233  -8.030  12.463
  198    H    ARG  23           HN       ARG  23  25.247  -7.382  21.033
  199    HA   ARG  23           HA       ARG  23  24.382 -10.080  21.986
  200    HB2  ARG  23           HB3      ARG  23  26.636  -9.603  20.723
  201    HB3  ARG  23           HB2      ARG  23  27.172  -8.967  22.274
  202    HG2  ARG  23           HG3      ARG  23  27.790 -11.179  22.581
  203    HG3  ARG  23           HG2      ARG  23  26.129 -11.291  23.162
  204    HD2  ARG  23           HD3      ARG  23  25.502 -11.826  20.716
  205    HD3  ARG  23           HD2      ARG  23  27.227 -12.087  20.461
  206    HE   ARG  23           HE       ARG  23  26.140 -13.562  22.741
  207   HH11  ARG  23          HH11      ARG  23  26.168 -15.813  22.521
  208   HH12  ARG  23          HH12      ARG  23  26.443 -16.514  20.961
  209   HH21  ARG  23          HH21      ARG  23  26.750 -13.458  19.348
  210   HH22  ARG  23          HH22      ARG  23  26.774 -15.181  19.165
  211    H    ARG  24           HN       ARG  24  23.464  -7.507  23.198
  212    HA   ARG  24           HA       ARG  24  24.902  -6.910  25.577
  213    HB2  ARG  24           HB3      ARG  24  22.017  -6.650  24.743
  214    HB3  ARG  24           HB2      ARG  24  22.453  -6.341  26.424
  215    HG2  ARG  24           HG3      ARG  24  23.914  -4.560  25.828
  216    HG3  ARG  24           HG2      ARG  24  23.912  -5.024  24.128
  217    HD2  ARG  24           HD3      ARG  24  21.380  -4.190  25.550
  218    HD3  ARG  24           HD2      ARG  24  22.445  -3.012  24.781
  219    HE   ARG  24           HE       ARG  24  21.831  -5.133  22.938
  220   HH11  ARG  24          HH11      ARG  24  20.352  -4.678  21.289
  221   HH12  ARG  24          HH12      ARG  24  19.294  -3.314  21.445
  222   HH21  ARG  24          HH21      ARG  24  20.535  -2.369  24.543
  223   HH22  ARG  24          HH22      ARG  24  19.398  -2.008  23.288
  224    H    ARG  25           HN       ARG  25  25.632  -8.994  26.296
  225    HA   ARG  25           HA       ARG  25  23.968 -11.193  26.948
  226    HB2  ARG  25           HB3      ARG  25  25.820 -11.916  28.409
  227    HB3  ARG  25           HB2      ARG  25  26.434 -11.323  26.865
  228    HG2  ARG  25           HG3      ARG  25  26.680  -9.041  28.028
  229    HG3  ARG  25           HG2      ARG  25  26.452  -9.919  29.540
  230    HD2  ARG  25           HD3      ARG  25  28.334 -11.480  28.697
  231    HD3  ARG  25           HD2      ARG  25  28.682 -10.205  27.527
  232    HE   ARG  25           HE       ARG  25  28.514  -9.119  30.195
  233   HH11  ARG  25          HH11      ARG  25  30.453  -8.520  31.185
  234   HH12  ARG  25          HH12      ARG  25  31.952  -9.124  30.560
  235   HH21  ARG  25          HH21      ARG  25  30.462 -10.954  28.019
  236   HH22  ARG  25          HH22      ARG  25  31.958 -10.499  28.767
  Start of MODEL    7
    1    H1   PHE   1           H1       PHE   1  42.682   2.737  18.488
    2    H2   PHE   1           H2       PHE   1  41.864   3.195  19.905
    3    H3   PHE   1           H3       PHE   1  43.332   3.941  19.489
    4    HA   PHE   1           HA       PHE   1  41.780   4.360  17.293
    5    HB2  PHE   1           HB3      PHE   1  40.122   5.070  19.718
    6    HB3  PHE   1           HB2      PHE   1  39.639   5.052  18.021
    7    HD1  PHE   1           HD1      PHE   1  39.671   2.773  16.796
    8    HD2  PHE   1           HD2      PHE   1  39.757   3.173  21.072
    9    HE1  PHE   1           HE1      PHE   1  38.901   0.427  17.030
   10    HE2  PHE   1           HE2      PHE   1  38.986   0.827  21.307
   11    HZ   PHE   1           HZ       PHE   1  38.559  -0.546  19.286
   12    H    ILE   2           HN       ILE   2  43.270   5.994  16.897
   13    HA   ILE   2           HA       ILE   2  43.814   7.995  19.020
   14    HB   ILE   2           HB       ILE   2  45.002   7.701  16.243
   15   HG12  ILE   2          HG13      ILE   2  46.218   7.055  18.946
   16   HG13  ILE   2          HG12      ILE   2  45.472   5.843  17.906
   17   HG21  ILE   2          HG21      ILE   2  45.082  10.029  17.215
   18   HG22  ILE   2          HG22      ILE   2  46.670   9.308  17.002
   19   HG23  ILE   2          HG23      ILE   2  45.938   9.367  18.602
   20   HD11  ILE   2          HD11      ILE   2  47.905   7.543  17.308
   21   HD12  ILE   2          HD12      ILE   2  47.063   6.610  16.070
   22   HD13  ILE   2          HD13      ILE   2  47.823   5.786  17.431
   23    H    HIS   3           HN       HIS   3  43.655   8.723  15.562
   24    HA   HIS   3           HA       HIS   3  41.154  10.223  15.892
   25    HB2  HIS   3           HB3      HIS   3  42.168  12.402  15.340
   26    HB3  HIS   3           HB2      HIS   3  42.797  11.763  16.857
   27    HD1  HIS   3           HD1      HIS   3  44.520  13.787  15.442
   28    HD2  HIS   3           HD2      HIS   3  44.844   9.698  14.665
   29    HE1  HIS   3           HE1      HIS   3  46.834  13.410  14.485
   30    HE2  HIS   3           HE2      HIS   3  47.028  10.936  13.987
   31    H    HIS   4           HN       HIS   4  43.535   8.782  13.926
   32    HA   HIS   4           HA       HIS   4  41.993   9.541  11.471
   33    HB2  HIS   4           HB3      HIS   4  44.044   9.556  10.183
   34    HB3  HIS   4           HB2      HIS   4  44.225  10.665  11.541
   35    HD1  HIS   4           HD1      HIS   4  46.373  10.382  12.764
   36    HD2  HIS   4           HD2      HIS   4  45.116   6.824  11.007
   37    HE1  HIS   4           HE1      HIS   4  48.181   8.671  13.247
   38    HE2  HIS   4           HE2      HIS   4  47.429   6.498  12.175
   39    H    ILE   5           HN       ILE   5  43.673   7.083  13.303
   40    HA   ILE   5           HA       ILE   5  43.397   5.021  11.280
   41    HB   ILE   5           HB       ILE   5  43.821   3.461  13.157
   42   HG12  ILE   5          HG13      ILE   5  43.426   5.981  14.791
   43   HG13  ILE   5          HG12      ILE   5  42.523   4.471  14.909
   44   HG21  ILE   5          HG21      ILE   5  45.595   5.882  13.511
   45   HG22  ILE   5          HG22      ILE   5  45.673   4.867  12.069
   46   HG23  ILE   5          HG23      ILE   5  46.040   4.183  13.648
   47   HD11  ILE   5          HD11      ILE   5  45.377   5.011  15.727
   48   HD12  ILE   5          HD12      ILE   5  44.778   3.370  15.482
   49   HD13  ILE   5          HD13      ILE   5  44.056   4.397  16.721
   50    H    ILE   6           HN       ILE   6  41.266   6.724  13.270
   51    HA   ILE   6           HA       ILE   6  39.310   4.629  13.700
   52    HB   ILE   6           HB       ILE   6  37.831   6.847  14.040
   53   HG12  ILE   6          HG13      ILE   6  40.641   7.877  14.501
   54   HG13  ILE   6          HG12      ILE   6  39.735   8.238  13.036
   55   HG21  ILE   6          HG21      ILE   6  38.506   5.261  15.816
   56   HG22  ILE   6          HG22      ILE   6  38.623   6.935  16.361
   57   HG23  ILE   6          HG23      ILE   6  40.080   6.051  15.909
   58   HD11  ILE   6          HD11      ILE   6  37.863   9.076  14.583
   59   HD12  ILE   6          HD12      ILE   6  39.310  10.071  14.484
   60   HD13  ILE   6          HD13      ILE   6  39.064   9.015  15.874
   61    H    GLY   7           HN       GLY   7  39.222   7.515  11.577
   62    HA2  GLY   7           HA3      GLY   7  36.961   6.668  10.083
   63    HA3  GLY   7           HA2      GLY   7  38.181   7.806   9.497
   64    H    GLY   8           HN       GLY   8  39.786   5.114  10.415
   65    HA2  GLY   8           HA3      GLY   8  39.975   4.126   7.608
   66    HA3  GLY   8           HA2      GLY   8  41.155   3.823   8.890
   67    H    LEU   9           HN       LEU   9  39.128   3.128  10.874
   68    HA   LEU   9           HA       LEU   9  38.056   0.554   9.775
   69    HB2  LEU   9           HB3      LEU   9  38.741  -0.592  11.820
   70    HB3  LEU   9           HB2      LEU   9  40.146   0.134  11.047
   71    HG   LEU   9           HG       LEU   9  39.326   2.200  12.690
   72   HD11  LEU   9          HD11      LEU   9  38.640   1.400  14.811
   73   HD12  LEU   9          HD12      LEU   9  39.033  -0.271  14.407
   74   HD13  LEU   9          HD13      LEU   9  37.633   0.506  13.674
   75   HD21  LEU   9          HD21      LEU   9  41.202   1.556  14.151
   76   HD22  LEU   9          HD22      LEU   9  41.632   1.324  12.456
   77   HD23  LEU   9          HD23      LEU   9  41.200  -0.064  13.454
   78    H    PHE  10           HN       PHE  10  37.845   3.156  12.127
   79    HA   PHE  10           HA       PHE  10  35.737   2.500  13.747
   80    HB2  PHE  10           HB3      PHE  10  36.971   4.701  13.601
   81    HB3  PHE  10           HB2      PHE  10  35.908   5.130  12.258
   82    HD1  PHE  10           HD1      PHE  10  35.844   3.916  15.793
   83    HD2  PHE  10           HD2      PHE  10  33.813   6.095  12.702
   84    HE1  PHE  10           HE1      PHE  10  34.100   4.603  17.425
   85    HE2  PHE  10           HE2      PHE  10  32.068   6.784  14.330
   86    HZ   PHE  10           HZ       PHE  10  32.213   6.037  16.692
   87    H    SER  11           HN       SER  11  35.573   3.142  10.288
   88    HA   SER  11           HA       SER  11  32.749   3.485  10.068
   89    HB2  SER  11           HB3      SER  11  33.041   3.178   7.762
   90    HB3  SER  11           HB2      SER  11  34.656   3.686   8.259
   91    HG   SER  11           HG       SER  11  34.846   1.834   7.025
   92    H    ALA  12           HN       ALA  12  34.774   0.558   9.949
   93    HA   ALA  12           HA       ALA  12  32.378  -1.169   9.932
   94    HB1  ALA  12           HB1      ALA  12  34.104  -3.014  10.080
   95    HB2  ALA  12           HB2      ALA  12  35.348  -1.766  10.003
   96    HB3  ALA  12           HB3      ALA  12  34.244  -1.997   8.646
   97    H    GLY  13           HN       GLY  13  34.805   0.088  12.113
   98    HA2  GLY  13           HA3      GLY  13  34.557  -1.647  14.306
   99    HA3  GLY  13           HA2      GLY  13  34.815   0.097  14.467
  100    H    LYS  14           HN       LYS  14  32.484   1.037  13.283
  101    HA   LYS  14           HA       LYS  14  30.601   0.980  15.414
  102    HB2  LYS  14           HB3      LYS  14  30.368   1.677  12.481
  103    HB3  LYS  14           HB2      LYS  14  28.972   1.769  13.557
  104    HG2  LYS  14           HG3      LYS  14  29.963   3.446  14.898
  105    HG3  LYS  14           HG2      LYS  14  31.581   3.120  14.267
  106    HD2  LYS  14           HD3      LYS  14  30.557   5.209  13.337
  107    HD3  LYS  14           HD2      LYS  14  30.976   4.025  12.099
  108    HE2  LYS  14           HE3      LYS  14  28.645   5.131  11.937
  109    HE3  LYS  14           HE2      LYS  14  28.722   3.376  11.791
  110    HZ1  LYS  14           HZ1      LYS  14  28.462   4.373  14.494
  111    HZ2  LYS  14           HZ2      LYS  14  27.666   3.081  13.729
  112    HZ3  LYS  14           HZ3      LYS  14  27.124   4.675  13.497
  113    H    ALA  15           HN       ALA  15  30.616  -0.783  12.319
  114    HA   ALA  15           HA       ALA  15  28.252  -2.308  12.704
  115    HB1  ALA  15           HB1      ALA  15  29.231  -3.889  11.091
  116    HB2  ALA  15           HB2      ALA  15  30.800  -3.109  11.281
  117    HB3  ALA  15           HB3      ALA  15  29.458  -2.223  10.558
  118    H    ILE  16           HN       ILE  16  31.613  -2.899  13.743
  119    HA   ILE  16           HA       ILE  16  30.894  -5.515  14.834
  120    HB   ILE  16           HB       ILE  16  33.332  -3.724  15.137
  121   HG12  ILE  16          HG13      ILE  16  34.380  -5.889  14.131
  122   HG13  ILE  16          HG12      ILE  16  32.725  -6.335  13.731
  123   HG21  ILE  16          HG21      ILE  16  32.661  -6.301  16.571
  124   HG22  ILE  16          HG22      ILE  16  33.196  -4.772  17.270
  125   HG23  ILE  16          HG23      ILE  16  34.325  -5.762  16.346
  126   HD11  ILE  16          HD11      ILE  16  34.027  -3.725  12.910
  127   HD12  ILE  16          HD12      ILE  16  32.453  -4.330  12.396
  128   HD13  ILE  16          HD13      ILE  16  33.922  -5.148  11.876
  129    H    HIS  17           HN       HIS  17  30.971  -2.197  15.862
  130    HA   HIS  17           HA       HIS  17  30.634  -2.786  18.686
  131    HB2  HIS  17           HB3      HIS  17  30.994  -0.547  18.885
  132    HB3  HIS  17           HB2      HIS  17  31.080  -0.454  17.139
  133    HD1  HIS  17           HD1      HIS  17  29.018   0.481  15.884
  134    HD2  HIS  17           HD2      HIS  17  28.458   0.148  19.997
  135    HE1  HIS  17           HE1      HIS  17  26.893   1.741  16.406
  136    HE2  HIS  17           HE2      HIS  17  26.533   1.553  18.917
  137    H    ARG  18           HN       ARG  18  28.707  -3.144  15.981
  138    HA   ARG  18           HA       ARG  18  26.148  -2.777  17.448
  139    HB2  ARG  18           HB3      ARG  18  26.835  -3.333  14.562
  140    HB3  ARG  18           HB2      ARG  18  25.194  -3.519  15.181
  141    HG2  ARG  18           HG3      ARG  18  25.175  -1.204  15.938
  142    HG3  ARG  18           HG2      ARG  18  26.852  -0.998  15.441
  143    HD2  ARG  18           HD3      ARG  18  24.991  -0.153  13.835
  144    HD3  ARG  18           HD2      ARG  18  26.314  -1.092  13.149
  145    HE   ARG  18           HE       ARG  18  24.434  -3.013  13.740
  146   HH11  ARG  18          HH11      ARG  18  22.795  -3.629  12.308
  147   HH12  ARG  18          HH12      ARG  18  22.252  -2.508  11.104
  148   HH21  ARG  18          HH21      ARG  18  24.434   0.004  12.079
  149   HH22  ARG  18          HH22      ARG  18  23.177  -0.451  10.976
  150    H    LEU  19           HN       LEU  19  28.351  -5.207  16.320
  151    HA   LEU  19           HA       LEU  19  26.588  -7.463  16.543
  152    HB2  LEU  19           HB3      LEU  19  28.561  -8.016  15.422
  153    HB3  LEU  19           HB2      LEU  19  29.551  -6.998  16.456
  154    HG   LEU  19           HG       LEU  19  29.352  -8.673  18.283
  155   HD11  LEU  19          HD11      LEU  19  28.262 -10.775  17.956
  156   HD12  LEU  19          HD12      LEU  19  28.070 -10.494  16.227
  157   HD13  LEU  19          HD13      LEU  19  27.106  -9.579  17.381
  158   HD21  LEU  19          HD21      LEU  19  30.294  -9.741  15.607
  159   HD22  LEU  19          HD22      LEU  19  30.715 -10.439  17.171
  160   HD23  LEU  19          HD23      LEU  19  31.249  -8.810  16.759
  161    H    ILE  20           HN       ILE  20  28.646  -5.690  18.796
  162    HA   ILE  20           HA       ILE  20  28.135  -7.465  21.044
  163    HB   ILE  20           HB       ILE  20  29.866  -6.204  21.860
  164   HG12  ILE  20          HG13      ILE  20  27.950  -3.836  21.883
  165   HG13  ILE  20          HG12      ILE  20  28.056  -5.046  23.160
  166   HG21  ILE  20          HG21      ILE  20  30.299  -5.507  19.561
  167   HG22  ILE  20          HG22      ILE  20  30.640  -4.176  20.664
  168   HG23  ILE  20          HG23      ILE  20  29.145  -4.197  19.742
  169   HD11  ILE  20          HD11      ILE  20  29.369  -3.091  23.781
  170   HD12  ILE  20          HD12      ILE  20  30.245  -3.157  22.252
  171   HD13  ILE  20          HD13      ILE  20  30.464  -4.433  23.450
  172    H    ARG  21           HN       ARG  21  26.773  -4.321  20.058
  173    HA   ARG  21           HA       ARG  21  24.872  -4.081  22.117
  174    HB2  ARG  21           HB3      ARG  21  24.695  -3.230  19.218
  175    HB3  ARG  21           HB2      ARG  21  23.542  -2.737  20.461
  176    HG2  ARG  21           HG3      ARG  21  25.264  -1.640  21.733
  177    HG3  ARG  21           HG2      ARG  21  26.525  -2.299  20.693
  178    HD2  ARG  21           HD3      ARG  21  25.863   0.119  20.242
  179    HD3  ARG  21           HD2      ARG  21  25.838  -0.960  18.850
  180    HE   ARG  21           HE       ARG  21  23.262  -0.749  20.221
  181   HH11  ARG  21          HH11      ARG  21  21.611   0.212  19.005
  182   HH12  ARG  21          HH12      ARG  21  22.012   1.075  17.559
  183   HH21  ARG  21          HH21      ARG  21  25.419   0.500  17.840
  184   HH22  ARG  21          HH22      ARG  21  24.165   1.239  16.899
  185    H    ARG  22           HN       ARG  22  24.699  -5.798  19.033
  186    HA   ARG  22           HA       ARG  22  21.989  -6.727  19.415
  187    HB2  ARG  22           HB3      ARG  22  24.274  -7.745  17.706
  188    HB3  ARG  22           HB2      ARG  22  22.658  -8.452  17.679
  189    HG2  ARG  22           HG3      ARG  22  21.675  -6.407  16.913
  190    HG3  ARG  22           HG2      ARG  22  23.161  -5.506  17.217
  191    HD2  ARG  22           HD3      ARG  22  23.045  -7.815  15.273
  192    HD3  ARG  22           HD2      ARG  22  22.723  -6.152  14.784
  193    HE   ARG  22           HE       ARG  22  25.201  -6.263  16.210
  194   HH11  ARG  22          HH11      ARG  22  27.118  -6.168  15.003
  195   HH12  ARG  22          HH12      ARG  22  27.077  -6.526  13.310
  196   HH21  ARG  22          HH21      ARG  22  23.668  -7.151  13.253
  197   HH22  ARG  22          HH22      ARG  22  25.125  -7.082  12.320
  198    H    ARG  23           HN       ARG  23  25.014  -7.526  20.770
  199    HA   ARG  23           HA       ARG  23  24.081 -10.210  21.685
  200    HB2  ARG  23           HB3      ARG  23  26.432  -9.755  20.657
  201    HB3  ARG  23           HB2      ARG  23  26.809  -9.020  22.213
  202    HG2  ARG  23           HG3      ARG  23  27.443 -11.207  22.674
  203    HG3  ARG  23           HG2      ARG  23  25.751 -11.301  23.153
  204    HD2  ARG  23           HD3      ARG  23  25.338 -11.950  20.651
  205    HD3  ARG  23           HD2      ARG  23  27.063 -12.322  20.645
  206    HE   ARG  23           HE       ARG  23  25.781 -13.553  22.912
  207   HH11  ARG  23          HH11      ARG  23  25.442 -15.786  22.820
  208   HH12  ARG  23          HH12      ARG  23  25.505 -16.595  21.290
  209   HH21  ARG  23          HH21      ARG  23  26.179 -13.709  19.492
  210   HH22  ARG  23          HH22      ARG  23  25.922 -15.418  19.406
  211    H    ARG  24           HN       ARG  24  23.038  -7.607  22.778
  212    HA   ARG  24           HA       ARG  24  24.226  -7.043  25.305
  213    HB2  ARG  24           HB3      ARG  24  21.480  -6.672  24.129
  214    HB3  ARG  24           HB2      ARG  24  21.687  -6.430  25.863
  215    HG2  ARG  24           HG3      ARG  24  23.359  -4.728  25.500
  216    HG3  ARG  24           HG2      ARG  24  23.398  -5.063  23.769
  217    HD2  ARG  24           HD3      ARG  24  22.035  -3.097  24.091
  218    HD3  ARG  24           HD2      ARG  24  20.954  -4.428  23.679
  219    HE   ARG  24           HE       ARG  24  21.208  -4.280  26.524
  220   HH11  ARG  24          HH11      ARG  24  19.510  -3.358  27.696
  221   HH12  ARG  24          HH12      ARG  24  18.378  -2.326  26.888
  222   HH21  ARG  24          HH21      ARG  24  19.909  -2.628  23.791
  223   HH22  ARG  24          HH22      ARG  24  18.602  -1.914  24.676
  224    H    ARG  25           HN       ARG  25  24.818  -9.143  26.090
  225    HA   ARG  25           HA       ARG  25  23.035 -11.302  26.515
  226    HB2  ARG  25           HB3      ARG  25  25.282 -10.682  28.432
  227    HB3  ARG  25           HB2      ARG  25  24.726 -12.251  27.845
  228    HG2  ARG  25           HG3      ARG  25  25.456 -11.431  25.507
  229    HG3  ARG  25           HG2      ARG  25  26.324 -10.158  26.364
  230    HD2  ARG  25           HD3      ARG  25  27.928 -11.878  26.114
  231    HD3  ARG  25           HD2      ARG  25  27.353 -12.071  27.770
  232    HE   ARG  25           HE       ARG  25  25.800 -13.674  25.926
  233   HH11  ARG  25          HH11      ARG  25  26.133 -15.908  26.007
  234   HH12  ARG  25          HH12      ARG  25  27.551 -16.532  26.782
  235   HH21  ARG  25          HH21      ARG  25  28.782 -13.403  27.634
  236   HH22  ARG  25          HH22      ARG  25  29.050 -15.113  27.706
  Start of MODEL    8
    1    H1   PHE   1           H1       PHE   1  45.377   7.046  18.196
    2    H2   PHE   1           H2       PHE   1  44.893   5.427  18.012
    3    H3   PHE   1           H3       PHE   1  45.029   6.105  19.565
    4    HA   PHE   1           HA       PHE   1  42.846   6.204  17.707
    5    HB2  PHE   1           HB3      PHE   1  43.259   6.760  20.656
    6    HB3  PHE   1           HB2      PHE   1  41.688   6.886  19.866
    7    HD1  PHE   1           HD1      PHE   1  40.875   4.827  18.508
    8    HD2  PHE   1           HD2      PHE   1  44.019   4.665  21.432
    9    HE1  PHE   1           HE1      PHE   1  40.569   2.374  18.704
   10    HE2  PHE   1           HE2      PHE   1  43.711   2.212  21.627
   11    HZ   PHE   1           HZ       PHE   1  41.987   1.066  20.263
   12    H    ILE   2           HN       ILE   2  44.338   8.081  16.585
   13    HA   ILE   2           HA       ILE   2  44.038  10.702  17.813
   14    HB   ILE   2           HB       ILE   2  44.718  10.004  14.938
   15   HG12  ILE   2          HG13      ILE   2  46.519  10.458  17.338
   16   HG13  ILE   2          HG12      ILE   2  46.243   8.911  16.538
   17   HG21  ILE   2          HG21      ILE   2  44.026  12.441  15.684
   18   HG22  ILE   2          HG22      ILE   2  45.464  12.216  14.697
   19   HG23  ILE   2          HG23      ILE   2  45.617  12.465  16.435
   20   HD11  ILE   2          HD11      ILE   2  47.053  10.045  14.390
   21   HD12  ILE   2          HD12      ILE   2  48.280   9.744  15.621
   22   HD13  ILE   2          HD13      ILE   2  47.611  11.364  15.419
   23    H    HIS   3           HN       HIS   3  43.126  10.598  14.474
   24    HA   HIS   3           HA       HIS   3  40.245  10.673  15.040
   25    HB2  HIS   3           HB3      HIS   3  39.957  12.940  14.113
   26    HB3  HIS   3           HB2      HIS   3  40.936  12.962  15.576
   27    HD1  HIS   3           HD1      HIS   3  41.260  15.302  13.706
   28    HD2  HIS   3           HD2      HIS   3  43.579  11.851  13.335
   29    HE1  HIS   3           HE1      HIS   3  43.367  15.970  12.471
   30    HE2  HIS   3           HE2      HIS   3  44.766  13.876  12.219
   31    H    HIS   4           HN       HIS   4  42.875  10.291  12.923
   32    HA   HIS   4           HA       HIS   4  41.077  10.084  10.536
   33    HB2  HIS   4           HB3      HIS   4  43.030  10.293   9.171
   34    HB3  HIS   4           HB2      HIS   4  43.176  11.530  10.418
   35    HD1  HIS   4           HD1      HIS   4  45.392  11.561  11.564
   36    HD2  HIS   4           HD2      HIS   4  44.487   7.786  10.053
   37    HE1  HIS   4           HE1      HIS   4  47.406  10.099  12.045
   38    HE2  HIS   4           HE2      HIS   4  46.866   7.795  11.131
   39    H    ILE   5           HN       ILE   5  42.755   8.301  12.892
   40    HA   ILE   5           HA       ILE   5  43.054   5.890  11.261
   41    HB   ILE   5           HB       ILE   5  43.981   4.878  13.188
   42   HG12  ILE   5          HG13      ILE   5  42.206   5.330  14.822
   43   HG13  ILE   5          HG12      ILE   5  43.755   5.841  15.475
   44   HG21  ILE   5          HG21      ILE   5  44.572   7.846  13.391
   45   HG22  ILE   5          HG22      ILE   5  45.353   6.710  12.290
   46   HG23  ILE   5          HG23      ILE   5  45.582   6.549  14.030
   47   HD11  ILE   5          HD11      ILE   5  42.153   7.577  15.950
   48   HD12  ILE   5          HD12      ILE   5  41.626   7.618  14.279
   49   HD13  ILE   5          HD13      ILE   5  43.235   8.183  14.701
   50    H    ILE   6           HN       ILE   6  40.464   7.482  12.635
   51    HA   ILE   6           HA       ILE   6  38.972   5.055  13.405
   52    HB   ILE   6           HB       ILE   6  37.086   6.975  13.526
   53   HG12  ILE   6          HG13      ILE   6  39.569   8.600  14.071
   54   HG13  ILE   6          HG12      ILE   6  38.851   8.576  12.467
   55   HG21  ILE   6          HG21      ILE   6  39.363   6.542  15.470
   56   HG22  ILE   6          HG22      ILE   6  37.782   5.761  15.478
   57   HG23  ILE   6          HG23      ILE   6  37.919   7.477  15.859
   58   HD11  ILE   6          HD11      ILE   6  38.000  10.458  13.834
   59   HD12  ILE   6          HD12      ILE   6  37.391   9.302  15.017
   60   HD13  ILE   6          HD13      ILE   6  36.714   9.336  13.389
   61    H    GLY   7           HN       GLY   7  38.531   7.686  11.014
   62    HA2  GLY   7           HA3      GLY   7  36.461   6.397   9.552
   63    HA3  GLY   7           HA2      GLY   7  37.542   7.627   8.888
   64    H    GLY   8           HN       GLY   8  39.461   5.300  10.117
   65    HA2  GLY   8           HA3      GLY   8  39.958   4.114   7.438
   66    HA3  GLY   8           HA2      GLY   8  41.040   4.012   8.832
   67    H    LEU   9           HN       LEU   9  38.981   3.231  10.704
   68    HA   LEU   9           HA       LEU   9  38.192   0.520   9.704
   69    HB2  LEU   9           HB3      LEU   9  38.817  -0.404  11.920
   70    HB3  LEU   9           HB2      LEU   9  40.207   0.256  11.063
   71    HG   LEU   9           HG       LEU   9  39.354   2.483  12.456
   72   HD11  LEU   9          HD11      LEU   9  37.647   1.232  13.699
   73   HD12  LEU   9          HD12      LEU   9  38.936   1.743  14.787
   74   HD13  LEU   9          HD13      LEU   9  38.862   0.071  14.230
   75   HD21  LEU   9          HD21      LEU   9  41.232   2.053  13.974
   76   HD22  LEU   9          HD22      LEU   9  41.671   1.594  12.330
   77   HD23  LEU   9          HD23      LEU   9  41.244   0.353  13.507
   78    H    PHE  10           HN       PHE  10  37.672   3.199  11.924
   79    HA   PHE  10           HA       PHE  10  35.493   2.408  13.418
   80    HB2  PHE  10           HB3      PHE  10  36.674   4.684  13.303
   81    HB3  PHE  10           HB2      PHE  10  35.580   5.067  11.971
   82    HD1  PHE  10           HD1      PHE  10  33.405   5.848  12.420
   83    HD2  PHE  10           HD2      PHE  10  35.625   3.857  15.508
   84    HE1  PHE  10           HE1      PHE  10  31.629   6.418  14.061
   85    HE2  PHE  10           HE2      PHE  10  33.851   4.423  17.151
   86    HZ   PHE  10           HZ       PHE  10  31.852   5.704  16.426
   87    H    SER  11           HN       SER  11  35.614   2.904   9.956
   88    HA   SER  11           HA       SER  11  32.836   3.264   9.438
   89    HB2  SER  11           HB3      SER  11  33.318   2.604   7.183
   90    HB3  SER  11           HB2      SER  11  34.760   3.441   7.765
   91    HG   SER  11           HG       SER  11  34.866   1.207   6.686
   92    H    ALA  12           HN       ALA  12  34.748   0.237   9.409
   93    HA   ALA  12           HA       ALA  12  32.275  -1.361   9.441
   94    HB1  ALA  12           HB1      ALA  12  34.333  -2.140   8.225
   95    HB2  ALA  12           HB2      ALA  12  33.749  -3.295   9.423
   96    HB3  ALA  12           HB3      ALA  12  35.146  -2.280   9.784
   97    H    GLY  13           HN       GLY  13  34.715  -0.136  11.607
   98    HA2  GLY  13           HA3      GLY  13  34.405  -1.777  13.857
   99    HA3  GLY  13           HA2      GLY  13  34.698  -0.034  13.955
  100    H    LYS  14           HN       LYS  14  32.375   0.891  12.707
  101    HA   LYS  14           HA       LYS  14  30.501   0.969  14.850
  102    HB2  LYS  14           HB3      LYS  14  30.224   1.494  11.882
  103    HB3  LYS  14           HB2      LYS  14  28.865   1.684  12.990
  104    HG2  LYS  14           HG3      LYS  14  29.942   3.411  14.206
  105    HG3  LYS  14           HG2      LYS  14  31.522   3.020  13.518
  106    HD2  LYS  14           HD3      LYS  14  30.574   5.053  12.481
  107    HD3  LYS  14           HD2      LYS  14  30.754   3.756  11.302
  108    HE2  LYS  14           HE3      LYS  14  28.527   5.030  11.266
  109    HE3  LYS  14           HE2      LYS  14  28.423   3.271  11.325
  110    HZ1  LYS  14           HZ1      LYS  14  28.400   4.939  13.770
  111    HZ2  LYS  14           HZ2      LYS  14  27.940   3.312  13.603
  112    HZ3  LYS  14           HZ3      LYS  14  26.978   4.543  12.935
  113    H    ALA  15           HN       ALA  15  30.475  -0.957  11.856
  114    HA   ALA  15           HA       ALA  15  28.108  -2.449  12.348
  115    HB1  ALA  15           HB1      ALA  15  29.008  -4.075  10.775
  116    HB2  ALA  15           HB2      ALA  15  30.628  -3.408  10.974
  117    HB3  ALA  15           HB3      ALA  15  29.369  -2.448  10.194
  118    H    ILE  16           HN       ILE  16  31.477  -2.993  13.345
  119    HA   ILE  16           HA       ILE  16  30.803  -5.539  14.599
  120    HB   ILE  16           HB       ILE  16  33.235  -3.741  14.551
  121   HG12  ILE  16          HG13      ILE  16  34.283  -5.922  13.808
  122   HG13  ILE  16          HG12      ILE  16  32.668  -6.622  13.802
  123   HG21  ILE  16          HG21      ILE  16  32.729  -6.030  16.467
  124   HG22  ILE  16          HG22      ILE  16  33.259  -4.392  16.850
  125   HG23  ILE  16          HG23      ILE  16  34.355  -5.503  16.031
  126   HD11  ILE  16          HD11      ILE  16  33.469  -4.162  12.229
  127   HD12  ILE  16          HD12      ILE  16  31.924  -5.009  12.140
  128   HD13  ILE  16          HD13      ILE  16  33.393  -5.786  11.555
  129    H    HIS  17           HN       HIS  17  30.883  -2.179  15.455
  130    HA   HIS  17           HA       HIS  17  30.682  -2.620  18.317
  131    HB2  HIS  17           HB3      HIS  17  30.981  -0.363  18.401
  132    HB3  HIS  17           HB2      HIS  17  31.028  -0.361  16.651
  133    HD1  HIS  17           HD1      HIS  17  28.927   0.465  15.394
  134    HD2  HIS  17           HD2      HIS  17  28.440   0.318  19.526
  135    HE1  HIS  17           HE1      HIS  17  26.758   1.660  15.892
  136    HE2  HIS  17           HE2      HIS  17  26.459   1.608  18.412
  137    H    ARG  18           HN       ARG  18  28.625  -3.145  15.738
  138    HA   ARG  18           HA       ARG  18  26.140  -2.739  17.324
  139    HB2  ARG  18           HB3      ARG  18  26.665  -3.485  14.440
  140    HB3  ARG  18           HB2      ARG  18  25.061  -3.576  15.172
  141    HG2  ARG  18           HG3      ARG  18  25.101  -1.227  15.720
  142    HG3  ARG  18           HG2      ARG  18  26.783  -1.089  15.217
  143    HD2  ARG  18           HD3      ARG  18  24.835  -0.356  13.574
  144    HD3  ARG  18           HD2      ARG  18  26.255  -1.187  12.948
  145    HE   ARG  18           HE       ARG  18  24.388  -3.182  13.645
  146   HH11  ARG  18          HH11      ARG  18  23.042  -4.070  12.062
  147   HH12  ARG  18          HH12      ARG  18  22.740  -3.184  10.604
  148   HH21  ARG  18          HH21      ARG  18  24.720  -0.488  11.519
  149   HH22  ARG  18          HH22      ARG  18  23.693  -1.157  10.296
  150    H    LEU  19           HN       LEU  19  28.300  -5.193  16.129
  151    HA   LEU  19           HA       LEU  19  26.639  -7.475  16.575
  152    HB2  LEU  19           HB3      LEU  19  28.588  -7.990  15.386
  153    HB3  LEU  19           HB2      LEU  19  29.586  -6.932  16.371
  154    HG   LEU  19           HG       LEU  19  29.481  -8.570  18.233
  155   HD11  LEU  19          HD11      LEU  19  28.114 -10.415  16.251
  156   HD12  LEU  19          HD12      LEU  19  27.225  -9.534  17.489
  157   HD13  LEU  19          HD13      LEU  19  28.437 -10.724  17.954
  158   HD21  LEU  19          HD21      LEU  19  31.253  -8.664  16.454
  159   HD22  LEU  19          HD22      LEU  19  30.285  -9.881  15.624
  160   HD23  LEU  19          HD23      LEU  19  30.939 -10.217  17.227
  161    H    ILE  20           HN       ILE  20  28.760  -5.563  18.659
  162    HA   ILE  20           HA       ILE  20  28.421  -7.240  21.004
  163    HB   ILE  20           HB       ILE  20  30.125  -5.874  21.690
  164   HG12  ILE  20          HG13      ILE  20  28.120  -3.582  21.668
  165   HG13  ILE  20          HG12      ILE  20  28.334  -4.709  23.006
  166   HG21  ILE  20          HG21      ILE  20  30.782  -3.899  20.356
  167   HG22  ILE  20          HG22      ILE  20  29.248  -4.003  19.510
  168   HG23  ILE  20          HG23      ILE  20  30.426  -5.290  19.336
  169   HD11  ILE  20          HD11      ILE  20  30.298  -2.681  21.930
  170   HD12  ILE  20          HD12      ILE  20  30.792  -3.990  23.003
  171   HD13  ILE  20          HD13      ILE  20  29.627  -2.786  23.557
  172    H    ARG  21           HN       ARG  21  26.868  -4.230  19.929
  173    HA   ARG  21           HA       ARG  21  25.075  -3.940  22.077
  174    HB2  ARG  21           HB3      ARG  21  24.720  -3.275  19.145
  175    HB3  ARG  21           HB2      ARG  21  23.601  -2.758  20.408
  176    HG2  ARG  21           HG3      ARG  21  25.374  -1.550  21.552
  177    HG3  ARG  21           HG2      ARG  21  26.568  -2.150  20.404
  178    HD2  ARG  21           HD3      ARG  21  26.044   0.034  19.660
  179    HD3  ARG  21           HD2      ARG  21  25.140  -1.035  18.588
  180    HE   ARG  21           HE       ARG  21  23.140  -0.222  19.552
  181   HH11  ARG  21          HH11      ARG  21  22.006   1.179  20.921
  182   HH12  ARG  21          HH12      ARG  21  22.854   1.998  22.191
  183   HH21  ARG  21          HH21      ARG  21  25.924   0.587  21.412
  184   HH22  ARG  21          HH22      ARG  21  25.071   1.661  22.470
  185    H    ARG  22           HN       ARG  22  24.839  -5.873  19.138
  186    HA   ARG  22           HA       ARG  22  22.185  -6.884  19.685
  187    HB2  ARG  22           HB3      ARG  22  24.470  -7.809  17.935
  188    HB3  ARG  22           HB2      ARG  22  23.009  -8.783  18.111
  189    HG2  ARG  22           HG3      ARG  22  21.625  -7.017  17.252
  190    HG3  ARG  22           HG2      ARG  22  22.956  -5.862  17.318
  191    HD2  ARG  22           HD3      ARG  22  22.467  -6.804  15.014
  192    HD3  ARG  22           HD2      ARG  22  24.134  -6.988  15.559
  193    HE   ARG  22           HE       ARG  22  22.449  -9.287  16.198
  194   HH11  ARG  22          HH11      ARG  22  22.972 -11.196  15.103
  195   HH12  ARG  22          HH12      ARG  22  24.018 -11.128  13.725
  196   HH21  ARG  22          HH21      ARG  22  24.440  -7.691  13.880
  197   HH22  ARG  22          HH22      ARG  22  24.848  -9.146  13.033
  198    H    ARG  23           HN       ARG  23  25.323  -7.492  20.926
  199    HA   ARG  23           HA       ARG  23  24.552 -10.111  22.100
  200    HB2  ARG  23           HB3      ARG  23  26.871  -9.599  21.065
  201    HB3  ARG  23           HB2      ARG  23  27.166  -8.648  22.518
  202    HG2  ARG  23           HG3      ARG  23  27.975 -10.688  23.268
  203    HG3  ARG  23           HG2      ARG  23  26.288 -10.893  23.723
  204    HD2  ARG  23           HD3      ARG  23  25.934 -11.956  21.429
  205    HD3  ARG  23           HD2      ARG  23  27.691 -11.987  21.276
  206    HE   ARG  23           HE       ARG  23  27.051 -13.165  23.768
  207   HH11  ARG  23          HH11      ARG  23  26.964 -15.416  23.948
  208   HH12  ARG  23          HH12      ARG  23  26.722 -16.377  22.528
  209   HH21  ARG  23          HH21      ARG  23  26.566 -13.649  20.392
  210   HH22  ARG  23          HH22      ARG  23  26.497 -15.376  20.514
  211    H    ARG  24           HN       ARG  24  23.304  -7.510  22.909
  212    HA   ARG  24           HA       ARG  24  24.347  -6.589  25.382
  213    HB2  ARG  24           HB3      ARG  24  22.379  -5.646  23.966
  214    HB3  ARG  24           HB2      ARG  24  21.383  -6.815  24.828
  215    HG2  ARG  24           HG3      ARG  24  21.166  -4.975  26.238
  216    HG3  ARG  24           HG2      ARG  24  22.557  -5.765  26.974
  217    HD2  ARG  24           HD3      ARG  24  23.000  -3.368  26.700
  218    HD3  ARG  24           HD2      ARG  24  24.064  -4.294  25.643
  219    HE   ARG  24           HE       ARG  24  22.968  -3.328  23.789
  220   HH11  ARG  24          HH11      ARG  24  21.414  -1.983  22.849
  221   HH12  ARG  24          HH12      ARG  24  20.100  -1.396  23.811
  222   HH21  ARG  24          HH21      ARG  24  21.146  -3.005  26.698
  223   HH22  ARG  24          HH22      ARG  24  19.947  -1.974  25.990
  224    H    ARG  25           HN       ARG  25  25.097  -8.548  26.397
  225    HA   ARG  25           HA       ARG  25  23.494 -10.792  27.027
  226    HB2  ARG  25           HB3      ARG  25  25.137 -11.123  28.921
  227    HB3  ARG  25           HB2      ARG  25  25.874 -10.918  27.332
  228    HG2  ARG  25           HG3      ARG  25  26.303  -8.557  27.797
  229    HG3  ARG  25           HG2      ARG  25  25.492  -8.698  29.358
  230    HD2  ARG  25           HD3      ARG  25  27.969 -10.231  28.526
  231    HD3  ARG  25           HD2      ARG  25  27.945  -8.839  29.610
  232    HE   ARG  25           HE       ARG  25  27.146 -11.564  30.299
  233   HH11  ARG  25          HH11      ARG  25  26.507 -11.868  32.444
  234   HH12  ARG  25          HH12      ARG  25  26.161 -10.492  33.435
  235   HH21  ARG  25          HH21      ARG  25  26.846  -8.188  30.935
  236   HH22  ARG  25          HH22      ARG  25  26.355  -8.407  32.581
  Start of MODEL    9
    1    H1   PHE   1           H1       PHE   1  45.482   7.365  17.804
    2    H2   PHE   1           H2       PHE   1  44.515   6.330  16.864
    3    H3   PHE   1           H3       PHE   1  44.903   5.914  18.466
    4    HA   PHE   1           HA       PHE   1  42.583   6.921  17.898
    5    HB2  PHE   1           HB3      PHE   1  44.097   8.083  20.241
    6    HB3  PHE   1           HB2      PHE   1  42.407   7.582  20.167
    7    HD1  PHE   1           HD1      PHE   1  45.900   6.432  20.416
    8    HD2  PHE   1           HD2      PHE   1  41.776   5.230  20.296
    9    HE1  PHE   1           HE1      PHE   1  46.537   4.166  21.197
   10    HE2  PHE   1           HE2      PHE   1  42.414   2.965  21.077
   11    HZ   PHE   1           HZ       PHE   1  44.795   2.432  21.528
   12    H    ILE   2           HN       ILE   2  44.481   8.405  16.176
   13    HA   ILE   2           HA       ILE   2  44.383  11.187  17.041
   14    HB   ILE   2           HB       ILE   2  44.954  10.094  14.267
   15   HG12  ILE   2          HG13      ILE   2  46.967  10.816  16.410
   16   HG13  ILE   2          HG12      ILE   2  46.402   9.164  16.157
   17   HG21  ILE   2          HG21      ILE   2  46.075  12.633  15.444
   18   HG22  ILE   2          HG22      ILE   2  44.457  12.646  14.757
   19   HG23  ILE   2          HG23      ILE   2  45.832  12.204  13.752
   20   HD11  ILE   2          HD11      ILE   2  47.734  10.911  14.066
   21   HD12  ILE   2          HD12      ILE   2  47.153   9.266  13.807
   22   HD13  ILE   2          HD13      ILE   2  48.492   9.564  14.916
   23    H    HIS   3           HN       HIS   3  43.431  10.822  13.755
   24    HA   HIS   3           HA       HIS   3  40.556  11.037  14.331
   25    HB2  HIS   3           HB3      HIS   3  40.344  13.229  13.205
   26    HB3  HIS   3           HB2      HIS   3  41.312  13.337  14.671
   27    HD1  HIS   3           HD1      HIS   3  41.776  15.533  12.714
   28    HD2  HIS   3           HD2      HIS   3  43.891  11.943  12.473
   29    HE1  HIS   3           HE1      HIS   3  43.890  16.022  11.410
   30    HE2  HIS   3           HE2      HIS   3  45.167  13.843  11.239
   31    H    HIS   4           HN       HIS   4  43.144  10.360  12.252
   32    HA   HIS   4           HA       HIS   4  41.322  10.017   9.900
   33    HB2  HIS   4           HB3      HIS   4  43.250  10.097   8.504
   34    HB3  HIS   4           HB2      HIS   4  43.456  11.405   9.667
   35    HD1  HIS   4           HD1      HIS   4  45.685  11.440  10.787
   36    HD2  HIS   4           HD2      HIS   4  44.658   7.613   9.501
   37    HE1  HIS   4           HE1      HIS   4  47.671   9.952  11.316
   38    HE2  HIS   4           HE2      HIS   4  47.056   7.617  10.536
   39    H    ILE   5           HN       ILE   5  42.878   8.369  12.412
   40    HA   ILE   5           HA       ILE   5  43.124   5.833  10.936
   41    HB   ILE   5           HB       ILE   5  44.105   4.945  12.893
   42   HG12  ILE   5          HG13      ILE   5  42.407   5.518  14.552
   43   HG13  ILE   5          HG12      ILE   5  43.971   6.087  15.116
   44   HG21  ILE   5          HG21      ILE   5  44.750   7.910  12.891
   45   HG22  ILE   5          HG22      ILE   5  45.471   6.700  11.830
   46   HG23  ILE   5          HG23      ILE   5  45.763   6.634  13.566
   47   HD11  ILE   5          HD11      ILE   5  43.400   8.353  14.146
   48   HD12  ILE   5          HD12      ILE   5  42.397   7.857  15.506
   49   HD13  ILE   5          HD13      ILE   5  41.776   7.739  13.866
   50    H    ILE   6           HN       ILE   6  40.602   7.587  12.039
   51    HA   ILE   6           HA       ILE   6  39.038   5.302  13.121
   52    HB   ILE   6           HB       ILE   6  37.259   7.339  13.126
   53   HG12  ILE   6          HG13      ILE   6  39.805   8.877  13.615
   54   HG13  ILE   6          HG12      ILE   6  39.198   8.729  11.971
   55   HG21  ILE   6          HG21      ILE   6  38.218   7.950  15.420
   56   HG22  ILE   6          HG22      ILE   6  39.506   6.797  15.069
   57   HG23  ILE   6          HG23      ILE   6  37.832   6.249  15.157
   58   HD11  ILE   6          HD11      ILE   6  38.419  10.765  13.337
   59   HD12  ILE   6          HD12      ILE   6  37.417   9.624  14.232
   60   HD13  ILE   6          HD13      ILE   6  37.178   9.837  12.497
   61    H    GLY   7           HN       GLY   7  38.585   7.810  10.605
   62    HA2  GLY   7           HA3      GLY   7  36.451   6.491   9.276
   63    HA3  GLY   7           HA2      GLY   7  37.531   7.665   8.515
   64    H    GLY   8           HN       GLY   8  39.440   5.342   9.790
   65    HA2  GLY   8           HA3      GLY   8  39.796   4.017   7.154
   66    HA3  GLY   8           HA2      GLY   8  40.942   3.970   8.501
   67    H    LEU   9           HN       LEU   9  38.941   3.337  10.502
   68    HA   LEU   9           HA       LEU   9  38.083   0.585   9.688
   69    HB2  LEU   9           HB3      LEU   9  38.776  -0.229  11.919
   70    HB3  LEU   9           HB2      LEU   9  40.145   0.390  11.000
   71    HG   LEU   9           HG       LEU   9  39.317   2.679  12.310
   72   HD11  LEU   9          HD11      LEU   9  38.835   2.150  14.621
   73   HD12  LEU   9          HD12      LEU   9  39.020   0.424  14.315
   74   HD13  LEU   9          HD13      LEU   9  37.659   1.300  13.621
   75   HD21  LEU   9          HD21      LEU   9  41.308   0.563  13.171
   76   HD22  LEU   9          HD22      LEU   9  41.195   2.146  13.942
   77   HD23  LEU   9          HD23      LEU   9  41.626   2.024  12.235
   78    H    PHE  10           HN       PHE  10  37.660   3.398  11.760
   79    HA   PHE  10           HA       PHE  10  35.561   2.777  13.407
   80    HB2  PHE  10           HB3      PHE  10  36.684   5.019  13.035
   81    HB3  PHE  10           HB2      PHE  10  35.600   5.248  11.661
   82    HD1  PHE  10           HD1      PHE  10  35.585   4.383  15.301
   83    HD2  PHE  10           HD2      PHE  10  33.470   6.166  12.017
   84    HE1  PHE  10           HE1      PHE  10  33.813   5.153  16.862
   85    HE2  PHE  10           HE2      PHE  10  31.697   6.939  13.576
   86    HZ   PHE  10           HZ       PHE  10  31.869   6.431  15.998
   87    H    SER  11           HN       SER  11  35.436   3.038   9.901
   88    HA   SER  11           HA       SER  11  32.598   3.196   9.609
   89    HB2  SER  11           HB3      SER  11  34.679   1.923   7.805
   90    HB3  SER  11           HB2      SER  11  33.006   2.229   7.339
   91    HG   SER  11           HG       SER  11  35.135   3.959   7.614
   92    H    ALA  12           HN       ALA  12  34.792   0.381   9.720
   93    HA   ALA  12           HA       ALA  12  32.490  -1.463   9.802
   94    HB1  ALA  12           HB1      ALA  12  34.444  -2.255   8.607
   95    HB2  ALA  12           HB2      ALA  12  34.283  -3.209  10.081
   96    HB3  ALA  12           HB3      ALA  12  35.481  -1.919   9.993
   97    H    GLY  13           HN       GLY  13  34.836   0.019  11.945
   98    HA2  GLY  13           HA3      GLY  13  34.572  -1.581  14.237
   99    HA3  GLY  13           HA2      GLY  13  34.794   0.176  14.293
  100    H    LYS  14           HN       LYS  14  32.480   1.003  13.010
  101    HA   LYS  14           HA       LYS  14  30.541   1.038  15.097
  102    HB2  LYS  14           HB3      LYS  14  30.318   1.515  12.115
  103    HB3  LYS  14           HB2      LYS  14  28.948   1.718  13.209
  104    HG2  LYS  14           HG3      LYS  14  29.986   3.488  14.381
  105    HG3  LYS  14           HG2      LYS  14  31.589   3.080  13.757
  106    HD2  LYS  14           HD3      LYS  14  30.596   5.096  12.660
  107    HD3  LYS  14           HD2      LYS  14  30.955   3.798  11.524
  108    HE2  LYS  14           HE3      LYS  14  28.219   4.025  12.774
  109    HE3  LYS  14           HE2      LYS  14  28.643   4.983  11.355
  110    HZ1  LYS  14           HZ1      LYS  14  27.941   3.150  10.285
  111    HZ2  LYS  14           HZ2      LYS  14  28.229   2.118  11.603
  112    HZ3  LYS  14           HZ3      LYS  14  29.514   2.596  10.598
  113    H    ALA  15           HN       ALA  15  30.651  -0.887  12.105
  114    HA   ALA  15           HA       ALA  15  28.311  -2.440  12.521
  115    HB1  ALA  15           HB1      ALA  15  29.344  -4.068  11.002
  116    HB2  ALA  15           HB2      ALA  15  30.909  -3.284  11.212
  117    HB3  ALA  15           HB3      ALA  15  29.597  -2.429  10.403
  118    H    ILE  16           HN       ILE  16  31.658  -2.906  13.641
  119    HA   ILE  16           HA       ILE  16  30.987  -5.471  14.864
  120    HB   ILE  16           HB       ILE  16  33.383  -3.622  14.970
  121   HG12  ILE  16          HG13      ILE  16  34.486  -5.838  14.242
  122   HG13  ILE  16          HG12      ILE  16  32.851  -6.436  13.990
  123   HG21  ILE  16          HG21      ILE  16  33.314  -4.360  17.232
  124   HG22  ILE  16          HG22      ILE  16  34.450  -5.446  16.432
  125   HG23  ILE  16          HG23      ILE  16  32.804  -5.983  16.769
  126   HD11  ILE  16          HD11      ILE  16  32.401  -4.639  12.401
  127   HD12  ILE  16          HD12      ILE  16  33.863  -5.494  11.917
  128   HD13  ILE  16          HD13      ILE  16  33.984  -3.930  12.721
  129    H    HIS  17           HN       HIS  17  30.983  -2.109  15.720
  130    HA   HIS  17           HA       HIS  17  30.665  -2.553  18.569
  131    HB2  HIS  17           HB3      HIS  17  30.939  -0.294  18.650
  132    HB3  HIS  17           HB2      HIS  17  31.029  -0.293  16.902
  133    HD1  HIS  17           HD1      HIS  17  28.937   0.477  15.590
  134    HD2  HIS  17           HD2      HIS  17  28.388   0.390  19.717
  135    HE1  HIS  17           HE1      HIS  17  26.736   1.637  16.032
  136    HE2  HIS  17           HE2      HIS  17  26.392   1.616  18.551
  137    H    ARG  18           HN       ARG  18  28.727  -3.149  15.915
  138    HA   ARG  18           HA       ARG  18  26.171  -2.762  17.385
  139    HB2  ARG  18           HB3      ARG  18  26.823  -3.565  14.547
  140    HB3  ARG  18           HB2      ARG  18  25.197  -3.689  15.221
  141    HG2  ARG  18           HG3      ARG  18  25.187  -1.313  15.749
  142    HG3  ARG  18           HG2      ARG  18  26.852  -1.154  15.196
  143    HD2  ARG  18           HD3      ARG  18  24.873  -0.510  13.576
  144    HD3  ARG  18           HD2      ARG  18  26.268  -1.383  12.943
  145    HE   ARG  18           HE       ARG  18  24.588  -3.421  13.659
  146   HH11  ARG  18          HH11      ARG  18  22.965  -4.259  12.324
  147   HH12  ARG  18          HH12      ARG  18  22.263  -3.251  11.104
  148   HH21  ARG  18          HH21      ARG  18  24.212  -0.491  11.884
  149   HH22  ARG  18          HH22      ARG  18  22.971  -1.119  10.853
  150    H    LEU  19           HN       LEU  19  28.390  -5.225  16.288
  151    HA   LEU  19           HA       LEU  19  26.737  -7.505  16.759
  152    HB2  LEU  19           HB3      LEU  19  28.713  -8.054  15.639
  153    HB3  LEU  19           HB2      LEU  19  29.680  -6.943  16.596
  154    HG   LEU  19           HG       LEU  19  29.559  -8.511  18.525
  155   HD11  LEU  19          HD11      LEU  19  27.337  -9.540  17.738
  156   HD12  LEU  19          HD12      LEU  19  28.549 -10.678  18.318
  157   HD13  LEU  19          HD13      LEU  19  28.293 -10.469  16.587
  158   HD21  LEU  19          HD21      LEU  19  30.517  -9.647  15.886
  159   HD22  LEU  19          HD22      LEU  19  30.930 -10.331  17.459
  160   HD23  LEU  19          HD23      LEU  19  31.455  -8.700  17.041
  161    H    ILE  20           HN       ILE  20  28.787  -5.527  18.856
  162    HA   ILE  20           HA       ILE  20  28.391  -7.169  21.216
  163    HB   ILE  20           HB       ILE  20  30.084  -5.786  21.905
  164   HG12  ILE  20          HG13      ILE  20  28.055  -3.514  21.858
  165   HG13  ILE  20          HG12      ILE  20  28.250  -4.646  23.194
  166   HG21  ILE  20          HG21      ILE  20  30.434  -5.197  19.576
  167   HG22  ILE  20          HG22      ILE  20  30.696  -3.771  20.576
  168   HG23  ILE  20          HG23      ILE  20  29.194  -3.966  19.688
  169   HD11  ILE  20          HD11      ILE  20  29.494  -2.638  23.709
  170   HD12  ILE  20          HD12      ILE  20  30.292  -2.676  22.136
  171   HD13  ILE  20          HD13      ILE  20  30.656  -3.912  23.339
  172    H    ARG  21           HN       ARG  21  26.871  -4.164  20.079
  173    HA   ARG  21           HA       ARG  21  25.006  -3.859  22.161
  174    HB2  ARG  21           HB3      ARG  21  24.723  -3.221  19.210
  175    HB3  ARG  21           HB2      ARG  21  23.601  -2.662  20.453
  176    HG2  ARG  21           HG3      ARG  21  25.300  -1.385  21.547
  177    HG3  ARG  21           HG2      ARG  21  26.577  -2.146  20.602
  178    HD2  ARG  21           HD3      ARG  21  26.097  -0.891  18.697
  179    HD3  ARG  21           HD2      ARG  21  24.416  -0.638  19.156
  180    HE   ARG  21           HE       ARG  21  26.628   1.066  19.854
  181   HH11  ARG  21          HH11      ARG  21  26.193   2.774  21.277
  182   HH12  ARG  21          HH12      ARG  21  24.745   2.743  22.226
  183   HH21  ARG  21          HH21      ARG  21  23.659  -0.293  20.951
  184   HH22  ARG  21          HH22      ARG  21  23.310   1.006  22.041
  185    H    ARG  22           HN       ARG  22  24.837  -5.808  19.221
  186    HA   ARG  22           HA       ARG  22  22.170  -6.811  19.748
  187    HB2  ARG  22           HB3      ARG  22  24.460  -7.729  18.000
  188    HB3  ARG  22           HB2      ARG  22  22.996  -8.701  18.166
  189    HG2  ARG  22           HG3      ARG  22  21.620  -6.920  17.313
  190    HG3  ARG  22           HG2      ARG  22  22.964  -5.778  17.373
  191    HD2  ARG  22           HD3      ARG  22  22.585  -6.598  15.072
  192    HD3  ARG  22           HD2      ARG  22  24.169  -7.083  15.676
  193    HE   ARG  22           HE       ARG  22  22.205  -9.127  16.217
  194   HH11  ARG  22          HH11      ARG  22  22.303 -10.999  14.949
  195   HH12  ARG  22          HH12      ARG  22  23.187 -10.975  13.460
  196   HH21  ARG  22          HH21      ARG  22  24.145  -7.657  13.775
  197   HH22  ARG  22          HH22      ARG  22  24.228  -9.084  12.795
  198    H    ARG  23           HN       ARG  23  25.268  -7.362  21.053
  199    HA   ARG  23           HA       ARG  23  24.482  -9.987  22.245
  200    HB2  ARG  23           HB3      ARG  23  26.767  -9.552  21.061
  201    HB3  ARG  23           HB2      ARG  23  27.183  -8.661  22.522
  202    HG2  ARG  23           HG3      ARG  23  27.928 -10.764  23.155
  203    HG3  ARG  23           HG2      ARG  23  26.262 -10.877  23.720
  204    HD2  ARG  23           HD3      ARG  23  25.692 -11.848  21.432
  205    HD3  ARG  23           HD2      ARG  23  27.428 -11.968  21.150
  206    HE   ARG  23           HE       ARG  23  26.595 -13.203  23.658
  207   HH11  ARG  23          HH11      ARG  23  26.799 -15.456  23.743
  208   HH12  ARG  23          HH12      ARG  23  27.036 -16.344  22.274
  209   HH21  ARG  23          HH21      ARG  23  26.984 -13.531  20.250
  210   HH22  ARG  23          HH22      ARG  23  27.141 -15.255  20.299
  211    H    ARG  24           HN       ARG  24  23.320  -7.420  23.152
  212    HA   ARG  24           HA       ARG  24  24.594  -6.422  25.483
  213    HB2  ARG  24           HB3      ARG  24  22.162  -5.894  26.195
  214    HB3  ARG  24           HB2      ARG  24  22.753  -5.167  24.700
  215    HG2  ARG  24           HG3      ARG  24  21.560  -6.681  23.340
  216    HG3  ARG  24           HG2      ARG  24  21.332  -7.830  24.658
  217    HD2  ARG  24           HD3      ARG  24  19.237  -6.648  24.228
  218    HD3  ARG  24           HD2      ARG  24  19.869  -6.182  25.808
  219    HE   ARG  24           HE       ARG  24  20.773  -4.371  23.739
  220   HH11  ARG  24          HH11      ARG  24  19.854  -2.305  23.740
  221   HH12  ARG  24          HH12      ARG  24  18.393  -2.022  24.625
  222   HH21  ARG  24          HH21      ARG  24  18.129  -5.290  25.753
  223   HH22  ARG  24          HH22      ARG  24  17.415  -3.712  25.763
  224    H    ARG  25           HN       ARG  25  25.476  -8.419  26.406
  225    HA   ARG  25           HA       ARG  25  23.907 -10.592  27.341
  226    HB2  ARG  25           HB3      ARG  25  26.378  -9.544  28.735
  227    HB3  ARG  25           HB2      ARG  25  25.808 -11.211  28.643
  228    HG2  ARG  25           HG3      ARG  25  26.091 -11.020  26.109
  229    HG3  ARG  25           HG2      ARG  25  26.971  -9.524  26.420
  230    HD2  ARG  25           HD3      ARG  25  28.576 -10.730  27.827
  231    HD3  ARG  25           HD2      ARG  25  27.678 -12.231  27.593
  232    HE   ARG  25           HE       ARG  25  28.301 -11.317  25.017
  233   HH11  ARG  25          HH11      ARG  25  30.145 -12.060  23.940
  234   HH12  ARG  25          HH12      ARG  25  31.472 -12.689  24.856
  235   HH21  ARG  25          HH21      ARG  25  29.934 -12.188  27.925
  236   HH22  ARG  25          HH22      ARG  25  31.353 -12.761  27.113
  Start of MODEL   10
    1    H1   PHE   1           H1       PHE   1  44.637   5.643  18.871
    2    H2   PHE   1           H2       PHE   1  45.079   7.143  18.206
    3    H3   PHE   1           H3       PHE   1  44.261   5.997  17.256
    4    HA   PHE   1           HA       PHE   1  42.248   6.480  18.112
    5    HB2  PHE   1           HB3      PHE   1  41.921   7.173  20.456
    6    HB3  PHE   1           HB2      PHE   1  42.899   5.707  20.369
    7    HD1  PHE   1           HD1      PHE   1  45.413   5.884  20.553
    8    HD2  PHE   1           HD2      PHE   1  42.797   9.188  21.382
    9    HE1  PHE   1           HE1      PHE   1  47.244   7.027  21.773
   10    HE2  PHE   1           HE2      PHE   1  44.628  10.332  22.601
   11    HZ   PHE   1           HZ       PHE   1  46.851   9.251  22.798
   12    H    ILE   2           HN       ILE   2  44.122   8.219  16.689
   13    HA   ILE   2           HA       ILE   2  43.807  10.904  17.790
   14    HB   ILE   2           HB       ILE   2  44.624  10.085  14.987
   15   HG12  ILE   2          HG13      ILE   2  46.098   8.970  16.539
   16   HG13  ILE   2          HG12      ILE   2  46.962  10.352  15.873
   17   HG21  ILE   2          HG21      ILE   2  43.971  12.553  15.621
   18   HG22  ILE   2          HG22      ILE   2  45.451  12.260  14.716
   19   HG23  ILE   2          HG23      ILE   2  45.525  12.561  16.451
   20   HD11  ILE   2          HD11      ILE   2  46.044  11.620  17.973
   21   HD12  ILE   2          HD12      ILE   2  47.415  10.530  18.166
   22   HD13  ILE   2          HD13      ILE   2  45.798  10.001  18.627
   23    H    HIS   3           HN       HIS   3  43.117  10.762  14.420
   24    HA   HIS   3           HA       HIS   3  40.199  10.836  14.811
   25    HB2  HIS   3           HB3      HIS   3  39.994  13.072  13.779
   26    HB3  HIS   3           HB2      HIS   3  40.854  13.130  15.313
   27    HD1  HIS   3           HD1      HIS   3  41.380  15.432  13.494
   28    HD2  HIS   3           HD2      HIS   3  43.623  11.922  13.237
   29    HE1  HIS   3           HE1      HIS   3  43.563  16.047  12.372
   30    HE2  HIS   3           HE2      HIS   3  44.925  13.919  12.200
   31    H    HIS   4           HN       HIS   4  42.928  10.331  12.867
   32    HA   HIS   4           HA       HIS   4  41.261  10.068  10.390
   33    HB2  HIS   4           HB3      HIS   4  43.260  10.295   9.114
   34    HB3  HIS   4           HB2      HIS   4  43.347  11.543  10.354
   35    HD1  HIS   4           HD1      HIS   4  45.499  11.593  11.621
   36    HD2  HIS   4           HD2      HIS   4  44.709   7.818  10.047
   37    HE1  HIS   4           HE1      HIS   4  47.513  10.154  12.176
   38    HE2  HIS   4           HE2      HIS   4  47.045   7.851  11.220
   39    H    ILE   5           HN       ILE   5  42.778   8.339  12.876
   40    HA   ILE   5           HA       ILE   5  43.168   5.901  11.276
   41    HB   ILE   5           HB       ILE   5  44.089   4.936  13.225
   42   HG12  ILE   5          HG13      ILE   5  42.291   5.348  14.823
   43   HG13  ILE   5          HG12      ILE   5  43.805   5.935  15.499
   44   HG21  ILE   5          HG21      ILE   5  45.445   6.790  12.345
   45   HG22  ILE   5          HG22      ILE   5  45.641   6.642  14.090
   46   HG23  ILE   5          HG23      ILE   5  44.621   7.915  13.424
   47   HD11  ILE   5          HD11      ILE   5  42.128   7.614  15.907
   48   HD12  ILE   5          HD12      ILE   5  41.624   7.594  14.227
   49   HD13  ILE   5          HD13      ILE   5  43.203   8.237  14.658
   50    H    ILE   6           HN       ILE   6  40.537   7.513  12.342
   51    HA   ILE   6           HA       ILE   6  39.005   5.125  13.223
   52    HB   ILE   6           HB       ILE   6  37.154   7.103  13.243
   53   HG12  ILE   6          HG13      ILE   6  39.619   8.683  13.959
   54   HG13  ILE   6          HG12      ILE   6  39.102   8.615  12.278
   55   HG21  ILE   6          HG21      ILE   6  37.955   7.602  15.618
   56   HG22  ILE   6          HG22      ILE   6  39.308   6.521  15.280
   57   HG23  ILE   6          HG23      ILE   6  37.655   5.907  15.234
   58   HD11  ILE   6          HD11      ILE   6  36.989   9.586  12.787
   59   HD12  ILE   6          HD12      ILE   6  38.176  10.550  13.665
   60   HD13  ILE   6          HD13      ILE   6  37.215   9.344  14.519
   61    H    GLY   7           HN       GLY   7  38.634   7.737  10.805
   62    HA2  GLY   7           HA3      GLY   7  36.562   6.485   9.325
   63    HA3  GLY   7           HA2      GLY   7  37.683   7.680   8.661
   64    H    GLY   8           HN       GLY   8  39.534   5.319   9.920
   65    HA2  GLY   8           HA3      GLY   8  40.024   4.110   7.252
   66    HA3  GLY   8           HA2      GLY   8  41.081   3.972   8.663
   67    H    LEU   9           HN       LEU   9  38.908   3.268  10.473
   68    HA   LEU   9           HA       LEU   9  38.018   0.612   9.441
   69    HB2  LEU   9           HB3      LEU   9  38.689  -0.425  11.601
   70    HB3  LEU   9           HB2      LEU   9  40.064   0.168  10.676
   71    HG   LEU   9           HG       LEU   9  39.483   2.403  12.171
   72   HD11  LEU   9          HD11      LEU   9  37.733   1.312  13.480
   73   HD12  LEU   9          HD12      LEU   9  39.128   1.619  14.512
   74   HD13  LEU   9          HD13      LEU   9  38.828  -0.005  13.898
   75   HD21  LEU   9          HD21      LEU   9  41.714   1.512  11.992
   76   HD22  LEU   9          HD22      LEU   9  41.263   0.052  12.871
   77   HD23  LEU   9          HD23      LEU   9  41.329   1.600  13.711
   78    H    PHE  10           HN       PHE  10  37.654   3.279  11.690
   79    HA   PHE  10           HA       PHE  10  35.581   2.567  13.337
   80    HB2  PHE  10           HB3      PHE  10  36.702   4.819  13.093
   81    HB3  PHE  10           HB2      PHE  10  35.629   5.131  11.728
   82    HD1  PHE  10           HD1      PHE  10  35.542   4.001  15.300
   83    HD2  PHE  10           HD2      PHE  10  33.535   6.101  12.137
   84    HE1  PHE  10           HE1      PHE  10  33.756   4.681  16.886
   85    HE2  PHE  10           HE2      PHE  10  31.748   6.783  13.721
   86    HZ   PHE  10           HZ       PHE  10  31.860   6.072  16.096
   87    H    SER  11           HN       SER  11  35.418   3.029   9.853
   88    HA   SER  11           HA       SER  11  32.588   3.233   9.577
   89    HB2  SER  11           HB3      SER  11  34.349   3.529   7.745
   90    HB3  SER  11           HB2      SER  11  34.416   1.769   7.653
   91    HG   SER  11           HG       SER  11  32.773   3.262   6.379
   92    H    ALA  12           HN       ALA  12  34.720   0.371   9.584
   93    HA   ALA  12           HA       ALA  12  32.388  -1.432   9.640
   94    HB1  ALA  12           HB1      ALA  12  34.505  -2.076   8.457
   95    HB2  ALA  12           HB2      ALA  12  34.023  -3.234   9.696
   96    HB3  ALA  12           HB3      ALA  12  35.325  -2.089  10.018
   97    H    GLY  13           HN       GLY  13  34.781  -0.036  11.797
   98    HA2  GLY  13           HA3      GLY  13  34.501  -1.643  14.075
   99    HA3  GLY  13           HA2      GLY  13  34.730   0.111  14.148
  100    H    LYS  14           HN       LYS  14  32.396   0.948  12.883
  101    HA   LYS  14           HA       LYS  14  30.492   0.980  14.996
  102    HB2  LYS  14           HB3      LYS  14  30.257   1.499  12.026
  103    HB3  LYS  14           HB2      LYS  14  28.868   1.650  13.103
  104    HG2  LYS  14           HG3      LYS  14  29.872   3.401  14.346
  105    HG3  LYS  14           HG2      LYS  14  31.477   3.057  13.690
  106    HD2  LYS  14           HD3      LYS  14  30.397   5.080  12.675
  107    HD3  LYS  14           HD2      LYS  14  30.812   3.835  11.496
  108    HE2  LYS  14           HE3      LYS  14  28.555   3.115  11.299
  109    HE3  LYS  14           HE2      LYS  14  28.071   3.979  12.758
  110    HZ1  LYS  14           HZ1      LYS  14  28.735   5.076  10.101
  111    HZ2  LYS  14           HZ2      LYS  14  28.817   6.049  11.491
  112    HZ3  LYS  14           HZ3      LYS  14  27.345   5.331  11.038
  113    H    ALA  15           HN       ALA  15  30.564  -0.947  12.007
  114    HA   ALA  15           HA       ALA  15  28.211  -2.479  12.443
  115    HB1  ALA  15           HB1      ALA  15  29.482  -2.479  10.316
  116    HB2  ALA  15           HB2      ALA  15  29.219  -4.115  10.918
  117    HB3  ALA  15           HB3      ALA  15  30.792  -3.343  11.116
  118    H    ILE  16           HN       ILE  16  31.568  -2.964  13.526
  119    HA   ILE  16           HA       ILE  16  30.892  -5.519  14.766
  120    HB   ILE  16           HB       ILE  16  33.302  -3.684  14.841
  121   HG12  ILE  16          HG13      ILE  16  34.392  -5.870  14.085
  122   HG13  ILE  16          HG12      ILE  16  32.765  -6.519  13.915
  123   HG21  ILE  16          HG21      ILE  16  34.370  -5.512  16.298
  124   HG22  ILE  16          HG22      ILE  16  32.725  -6.041  16.649
  125   HG23  ILE  16          HG23      ILE  16  33.248  -4.422  17.109
  126   HD11  ILE  16          HD11      ILE  16  32.197  -4.798  12.295
  127   HD12  ILE  16          HD12      ILE  16  33.690  -5.584  11.785
  128   HD13  ILE  16          HD13      ILE  16  33.748  -3.999  12.554
  129    H    HIS  17           HN       HIS  17  30.921  -2.152  15.619
  130    HA   HIS  17           HA       HIS  17  30.630  -2.590  18.471
  131    HB2  HIS  17           HB3      HIS  17  30.904  -0.330  18.553
  132    HB3  HIS  17           HB2      HIS  17  30.994  -0.335  16.803
  133    HD1  HIS  17           HD1      HIS  17  28.919   0.480  15.493
  134    HD2  HIS  17           HD2      HIS  17  28.321   0.319  19.612
  135    HE1  HIS  17           HE1      HIS  17  26.733   1.665  15.934
  136    HE2  HIS  17           HE2      HIS  17  26.356   1.591  18.444
  137    H    ARG  18           HN       ARG  18  28.660  -3.165  15.837
  138    HA   ARG  18           HA       ARG  18  26.125  -2.771  17.344
  139    HB2  ARG  18           HB3      ARG  18  26.740  -3.506  14.478
  140    HB3  ARG  18           HB2      ARG  18  25.116  -3.629  15.163
  141    HG2  ARG  18           HG3      ARG  18  25.088  -1.285  15.714
  142    HG3  ARG  18           HG2      ARG  18  26.788  -1.111  15.283
  143    HD2  ARG  18           HD3      ARG  18  24.887  -0.408  13.564
  144    HD3  ARG  18           HD2      ARG  18  26.358  -1.192  12.994
  145    HE   ARG  18           HE       ARG  18  24.429  -3.197  13.634
  146   HH11  ARG  18          HH11      ARG  18  23.299  -4.175  11.935
  147   HH12  ARG  18          HH12      ARG  18  23.233  -3.390  10.391
  148   HH21  ARG  18          HH21      ARG  18  25.130  -0.665  11.401
  149   HH22  ARG  18          HH22      ARG  18  24.271  -1.401  10.089
  150    H    LEU  19           HN       LEU  19  28.327  -5.215  16.212
  151    HA   LEU  19           HA       LEU  19  26.675  -7.504  16.633
  152    HB2  LEU  19           HB3      LEU  19  28.675  -7.994  15.513
  153    HB3  LEU  19           HB2      LEU  19  29.631  -6.949  16.555
  154    HG   LEU  19           HG       LEU  19  29.434  -8.598  18.393
  155   HD11  LEU  19          HD11      LEU  19  28.414 -10.773  18.008
  156   HD12  LEU  19          HD12      LEU  19  28.083 -10.367  16.324
  157   HD13  LEU  19          HD13      LEU  19  27.214  -9.545  17.616
  158   HD21  LEU  19          HD21      LEU  19  30.932 -10.234  17.455
  159   HD22  LEU  19          HD22      LEU  19  31.268  -8.695  16.662
  160   HD23  LEU  19          HD23      LEU  19  30.328  -9.931  15.826
  161    H    ILE  20           HN       ILE  20  28.731  -5.567  18.768
  162    HA   ILE  20           HA       ILE  20  28.301  -7.219  21.113
  163    HB   ILE  20           HB       ILE  20  29.985  -5.851  21.844
  164   HG12  ILE  20          HG13      ILE  20  27.972  -3.566  21.766
  165   HG13  ILE  20          HG12      ILE  20  28.151  -4.697  23.106
  166   HG21  ILE  20          HG21      ILE  20  29.179  -3.961  19.650
  167   HG22  ILE  20          HG22      ILE  20  30.351  -5.257  19.494
  168   HG23  ILE  20          HG23      ILE  20  30.691  -3.882  20.539
  169   HD11  ILE  20          HD11      ILE  20  29.384  -2.661  23.602
  170   HD12  ILE  20          HD12      ILE  20  30.232  -2.760  22.059
  171   HD13  ILE  20          HD13      ILE  20  30.537  -3.964  23.312
  172    H    ARG  21           HN       ARG  21  26.789  -4.198  19.987
  173    HA   ARG  21           HA       ARG  21  24.920  -3.896  22.057
  174    HB2  ARG  21           HB3      ARG  21  24.664  -3.280  19.106
  175    HB3  ARG  21           HB2      ARG  21  23.484  -2.766  20.315
  176    HG2  ARG  21           HG3      ARG  21  25.187  -1.523  21.520
  177    HG3  ARG  21           HG2      ARG  21  26.438  -2.116  20.431
  178    HD2  ARG  21           HD3      ARG  21  25.879   0.080  19.681
  179    HD3  ARG  21           HD2      ARG  21  25.137  -1.039  18.541
  180    HE   ARG  21           HE       ARG  21  22.998  -0.398  19.350
  181   HH11  ARG  21          HH11      ARG  21  21.669   0.992  20.536
  182   HH12  ARG  21          HH12      ARG  21  22.359   1.973  21.785
  183   HH21  ARG  21          HH21      ARG  21  25.583   0.795  21.301
  184   HH22  ARG  21          HH22      ARG  21  24.573   1.863  22.215
  185    H    ARG  22           HN       ARG  22  24.841  -5.934  19.193
  186    HA   ARG  22           HA       ARG  22  22.159  -6.938  19.671
  187    HB2  ARG  22           HB3      ARG  22  24.476  -7.934  17.996
  188    HB3  ARG  22           HB2      ARG  22  22.930  -8.781  18.082
  189    HG2  ARG  22           HG3      ARG  22  21.748  -6.886  17.194
  190    HG3  ARG  22           HG2      ARG  22  23.174  -5.857  17.340
  191    HD2  ARG  22           HD3      ARG  22  22.881  -6.581  15.015
  192    HD3  ARG  22           HD2      ARG  22  24.353  -7.277  15.693
  193    HE   ARG  22           HE       ARG  22  22.360  -9.180  16.162
  194   HH11  ARG  22          HH11      ARG  22  21.991 -10.872  14.713
  195   HH12  ARG  22          HH12      ARG  22  22.470 -10.699  13.059
  196   HH21  ARG  22          HH21      ARG  22  23.734  -7.499  13.483
  197   HH22  ARG  22          HH22      ARG  22  23.458  -8.790  12.361
  198    H    ARG  23           HN       ARG  23  25.251  -7.474  21.018
  199    HA   ARG  23           HA       ARG  23  24.477 -10.115  22.173
  200    HB2  ARG  23           HB3      ARG  23  26.769  -9.663  21.062
  201    HB3  ARG  23           HB2      ARG  23  27.135  -8.709  22.496
  202    HG2  ARG  23           HG3      ARG  23  27.888 -10.719  23.329
  203    HG3  ARG  23           HG2      ARG  23  26.185 -10.989  23.686
  204    HD2  ARG  23           HD3      ARG  23  25.906 -12.165  21.545
  205    HD3  ARG  23           HD2      ARG  23  27.597 -11.859  21.145
  206    HE   ARG  23           HE       ARG  23  27.207 -13.271  23.683
  207   HH11  ARG  23          HH11      ARG  23  28.036 -15.373  23.735
  208   HH12  ARG  23          HH12      ARG  23  28.492 -16.147  22.255
  209   HH21  ARG  23          HH21      ARG  23  27.621 -13.444  20.265
  210   HH22  ARG  23          HH22      ARG  23  28.259 -15.053  20.290
  211    H    ARG  24           HN       ARG  24  23.340  -7.453  23.045
  212    HA   ARG  24           HA       ARG  24  24.522  -6.641  25.506
  213    HB2  ARG  24           HB3      ARG  24  21.761  -6.448  24.324
  214    HB3  ARG  24           HB2      ARG  24  21.974  -6.047  26.027
  215    HG2  ARG  24           HG3      ARG  24  23.635  -4.363  25.480
  216    HG3  ARG  24           HG2      ARG  24  23.599  -4.824  23.779
  217    HD2  ARG  24           HD3      ARG  24  22.228  -2.792  24.239
  218    HD3  ARG  24           HD2      ARG  24  21.262  -4.125  23.604
  219    HE   ARG  24           HE       ARG  24  20.162  -4.269  25.697
  220   HH11  ARG  24          HH11      ARG  24  19.757  -3.531  27.796
  221   HH12  ARG  24          HH12      ARG  24  20.866  -2.429  28.541
  222   HH21  ARG  24          HH21      ARG  24  23.006  -2.323  25.816
  223   HH22  ARG  24          HH22      ARG  24  22.704  -1.745  27.421
  224    H    ARG  25           HN       ARG  25  25.171  -8.642  26.473
  225    HA   ARG  25           HA       ARG  25  23.458 -10.808  27.098
  226    HB2  ARG  25           HB3      ARG  25  25.125 -11.442  28.748
  227    HB3  ARG  25           HB2      ARG  25  25.957 -10.804  27.331
  228    HG2  ARG  25           HG3      ARG  25  25.942  -8.538  28.517
  229    HG3  ARG  25           HG2      ARG  25  25.454  -9.413  29.968
  230    HD2  ARG  25           HD3      ARG  25  27.494 -10.931  29.515
  231    HD3  ARG  25           HD2      ARG  25  28.025  -9.663  28.410
  232    HE   ARG  25           HE       ARG  25  27.334  -8.660  31.062
  233   HH11  ARG  25          HH11      ARG  25  29.063  -7.873  32.284
  234   HH12  ARG  25          HH12      ARG  25  30.687  -8.226  31.791
  235   HH21  ARG  25          HH21      ARG  25  29.724 -10.065  29.013
  236   HH22  ARG  25          HH22      ARG  25  31.059  -9.468  29.941
  Start of MODEL   11
    1    H1   PHE   1           H1       PHE   1  45.150   5.291  18.644
    2    H2   PHE   1           H2       PHE   1  45.139   6.525  17.476
    3    H3   PHE   1           H3       PHE   1  44.297   5.077  17.193
    4    HA   PHE   1           HA       PHE   1  42.479   5.935  18.081
    5    HB2  PHE   1           HB3      PHE   1  42.581   6.602  20.530
    6    HB3  PHE   1           HB2      PHE   1  43.163   4.975  20.177
    7    HD1  PHE   1           HD1      PHE   1  44.121   8.383  21.171
    8    HD2  PHE   1           HD2      PHE   1  45.558   4.446  20.232
    9    HE1  PHE   1           HE1      PHE   1  46.328   8.955  22.147
   10    HE2  PHE   1           HE2      PHE   1  47.764   5.017  21.209
   11    HZ   PHE   1           HZ       PHE   1  48.150   7.272  22.166
   12    H    ILE   2           HN       ILE   2  44.307   7.730  16.611
   13    HA   ILE   2           HA       ILE   2  44.127  10.324  17.964
   14    HB   ILE   2           HB       ILE   2  44.889   9.713  15.091
   15   HG12  ILE   2          HG13      ILE   2  46.571   9.921  17.606
   16   HG13  ILE   2          HG12      ILE   2  46.331   8.477  16.620
   17   HG21  ILE   2          HG21      ILE   2  45.776  11.896  15.007
   18   HG22  ILE   2          HG22      ILE   2  45.795  12.060  16.763
   19   HG23  ILE   2          HG23      ILE   2  44.271  12.134  15.889
   20   HD11  ILE   2          HD11      ILE   2  48.435   9.375  15.939
   21   HD12  ILE   2          HD12      ILE   2  47.792  11.016  15.867
   22   HD13  ILE   2          HD13      ILE   2  47.294   9.820  14.669
   23    H    HIS   3           HN       HIS   3  43.358  10.424  14.602
   24    HA   HIS   3           HA       HIS   3  40.452  10.580  15.060
   25    HB2  HIS   3           HB3      HIS   3  40.307  12.881  14.161
   26    HB3  HIS   3           HB2      HIS   3  41.199  12.824  15.678
   27    HD1  HIS   3           HD1      HIS   3  41.761  15.208  13.975
   28    HD2  HIS   3           HD2      HIS   3  43.887  11.649  13.487
   29    HE1  HIS   3           HE1      HIS   3  43.946  15.814  12.847
   30    HE2  HIS   3           HE2      HIS   3  45.233  13.657  12.533
   31    H    HIS   4           HN       HIS   4  43.139  10.101  13.061
   32    HA   HIS   4           HA       HIS   4  41.453  10.024  10.587
   33    HB2  HIS   4           HB3      HIS   4  43.462  10.180   9.321
   34    HB3  HIS   4           HB2      HIS   4  43.655  11.345  10.627
   35    HD1  HIS   4           HD1      HIS   4  45.827  11.161  11.845
   36    HD2  HIS   4           HD2      HIS   4  44.709   7.535  10.124
   37    HE1  HIS   4           HE1      HIS   4  47.719   9.537  12.308
   38    HE2  HIS   4           HE2      HIS   4  47.049   7.324  11.262
   39    H    ILE   5           HN       ILE   5  42.775   8.124  13.031
   40    HA   ILE   5           HA       ILE   5  43.053   5.705  11.377
   41    HB   ILE   5           HB       ILE   5  43.865   4.639  13.323
   42   HG12  ILE   5          HG13      ILE   5  42.063   5.162  14.901
   43   HG13  ILE   5          HG12      ILE   5  43.607   5.611  15.610
   44   HG21  ILE   5          HG21      ILE   5  44.595   7.568  13.608
   45   HG22  ILE   5          HG22      ILE   5  45.334   6.439  12.474
   46   HG23  ILE   5          HG23      ILE   5  45.532   6.202  14.210
   47   HD11  ILE   5          HD11      ILE   5  42.079   7.416  16.035
   48   HD12  ILE   5          HD12      ILE   5  41.578   7.461  14.353
   49   HD13  ILE   5          HD13      ILE   5  43.201   7.973  14.796
   50    H    ILE   6           HN       ILE   6  40.510   7.451  12.519
   51    HA   ILE   6           HA       ILE   6  38.832   5.146  13.313
   52    HB   ILE   6           HB       ILE   6  37.077   7.198  13.278
   53   HG12  ILE   6          HG13      ILE   6  39.639   8.646  13.954
   54   HG13  ILE   6          HG12      ILE   6  39.025   8.639  12.306
   55   HG21  ILE   6          HG21      ILE   6  39.201   6.810  15.406
   56   HG22  ILE   6          HG22      ILE   6  37.711   5.878  15.257
   57   HG23  ILE   6          HG23      ILE   6  37.640   7.598  15.640
   58   HD11  ILE   6          HD11      ILE   6  37.276   9.404  14.640
   59   HD12  ILE   6          HD12      ILE   6  37.024   9.740  12.928
   60   HD13  ILE   6          HD13      ILE   6  38.291  10.586  13.815
   61    H    GLY   7           HN       GLY   7  38.608   7.756  10.870
   62    HA2  GLY   7           HA3      GLY   7  36.569   6.520   9.329
   63    HA3  GLY   7           HA2      GLY   7  37.732   7.693   8.694
   64    H    GLY   8           HN       GLY   8  39.525   5.350  10.039
   65    HA2  GLY   8           HA3      GLY   8  40.085   4.079   7.417
   66    HA3  GLY   8           HA2      GLY   8  41.095   3.962   8.864
   67    H    LEU   9           HN       LEU   9  38.908   3.283  10.646
   68    HA   LEU   9           HA       LEU   9  38.051   0.604   9.624
   69    HB2  LEU   9           HB3      LEU   9  38.563  -0.355  11.861
   70    HB3  LEU   9           HB2      LEU   9  40.001   0.203  11.016
   71    HG   LEU   9           HG       LEU   9  39.334   2.488  12.387
   72   HD11  LEU   9          HD11      LEU   9  38.524   0.148  14.142
   73   HD12  LEU   9          HD12      LEU   9  37.482   1.464  13.607
   74   HD13  LEU   9          HD13      LEU   9  38.803   1.787  14.725
   75   HD21  LEU   9          HD21      LEU   9  41.553   1.375  12.334
   76   HD22  LEU   9          HD22      LEU   9  40.972   0.190  13.504
   77   HD23  LEU   9          HD23      LEU   9  41.117   1.885  13.967
   78    H    PHE  10           HN       PHE  10  37.534   3.338  11.761
   79    HA   PHE  10           HA       PHE  10  35.352   2.688  13.282
   80    HB2  PHE  10           HB3      PHE  10  36.473   4.934  13.042
   81    HB3  PHE  10           HB2      PHE  10  35.518   5.185  11.580
   82    HD1  PHE  10           HD1      PHE  10  35.265   4.471  15.227
   83    HD2  PHE  10           HD2      PHE  10  33.265   5.896  11.706
   84    HE1  PHE  10           HE1      PHE  10  33.349   5.220  16.621
   85    HE2  PHE  10           HE2      PHE  10  31.349   6.648  13.096
   86    HZ   PHE  10           HZ       PHE  10  31.392   6.309  15.554
   87    H    SER  11           HN       SER  11  35.405   3.069   9.780
   88    HA   SER  11           HA       SER  11  32.595   3.222   9.331
   89    HB2  SER  11           HB3      SER  11  34.558   1.761   7.546
   90    HB3  SER  11           HB2      SER  11  33.066   2.576   7.069
   91    HG   SER  11           HG       SER  11  35.462   3.730   8.067
   92    H    ALA  12           HN       ALA  12  34.763   0.393   9.548
   93    HA   ALA  12           HA       ALA  12  32.451  -1.442   9.476
   94    HB1  ALA  12           HB1      ALA  12  34.702  -2.035   8.465
   95    HB2  ALA  12           HB2      ALA  12  34.072  -3.219   9.609
   96    HB3  ALA  12           HB3      ALA  12  35.340  -2.100  10.108
   97    H    GLY  13           HN       GLY  13  34.680   0.025  11.751
   98    HA2  GLY  13           HA3      GLY  13  34.297  -1.535  14.040
   99    HA3  GLY  13           HA2      GLY  13  34.481   0.225  14.088
  100    H    LYS  14           HN       LYS  14  32.216   0.988  12.676
  101    HA   LYS  14           HA       LYS  14  30.179   1.063  14.642
  102    HB2  LYS  14           HB3      LYS  14  30.062   1.320  11.629
  103    HB3  LYS  14           HB2      LYS  14  28.649   1.567  12.657
  104    HG2  LYS  14           HG3      LYS  14  29.607   3.440  13.735
  105    HG3  LYS  14           HG2      LYS  14  31.237   3.031  13.190
  106    HD2  LYS  14           HD3      LYS  14  30.338   4.915  11.888
  107    HD3  LYS  14           HD2      LYS  14  30.571   3.501  10.859
  108    HE2  LYS  14           HE3      LYS  14  28.246   3.006  10.831
  109    HE3  LYS  14           HE2      LYS  14  27.920   4.093  12.182
  110    HZ1  LYS  14           HZ1      LYS  14  28.046   5.926  10.867
  111    HZ2  LYS  14           HZ2      LYS  14  27.481   4.813   9.712
  112    HZ3  LYS  14           HZ3      LYS  14  29.131   5.220   9.768
  113    H    ALA  15           HN       ALA  15  30.414  -1.035  11.766
  114    HA   ALA  15           HA       ALA  15  28.123  -2.638  12.266
  115    HB1  ALA  15           HB1      ALA  15  30.746  -3.328  10.926
  116    HB2  ALA  15           HB2      ALA  15  29.264  -2.790  10.136
  117    HB3  ALA  15           HB3      ALA  15  29.327  -4.374  10.909
  118    H    ILE  16           HN       ILE  16  31.489  -2.940  13.396
  119    HA   ILE  16           HA       ILE  16  30.885  -5.452  14.761
  120    HB   ILE  16           HB       ILE  16  33.231  -3.524  14.894
  121   HG12  ILE  16          HG13      ILE  16  34.376  -5.720  14.063
  122   HG13  ILE  16          HG12      ILE  16  32.743  -6.257  13.690
  123   HG21  ILE  16          HG21      ILE  16  33.136  -4.409  17.102
  124   HG22  ILE  16          HG22      ILE  16  34.311  -5.418  16.259
  125   HG23  ILE  16          HG23      ILE  16  32.671  -6.010  16.524
  126   HD11  ILE  16          HD11      ILE  16  32.406  -4.382  12.193
  127   HD12  ILE  16          HD12      ILE  16  33.922  -5.167  11.761
  128   HD13  ILE  16          HD13      ILE  16  33.942  -3.665  12.681
  129    H    HIS  17           HN       HIS  17  30.700  -2.063  15.414
  130    HA   HIS  17           HA       HIS  17  30.459  -2.335  18.293
  131    HB2  HIS  17           HB3      HIS  17  30.570  -0.061  18.239
  132    HB3  HIS  17           HB2      HIS  17  30.681  -0.167  16.496
  133    HD1  HIS  17           HD1      HIS  17  28.588   0.454  15.121
  134    HD2  HIS  17           HD2      HIS  17  27.936   0.458  19.235
  135    HE1  HIS  17           HE1      HIS  17  26.300   1.470  15.477
  136    HE2  HIS  17           HE2      HIS  17  25.901   1.515  17.982
  137    H    ARG  18           HN       ARG  18  28.543  -3.215  15.712
  138    HA   ARG  18           HA       ARG  18  25.978  -2.915  17.191
  139    HB2  ARG  18           HB3      ARG  18  26.640  -3.830  14.388
  140    HB3  ARG  18           HB2      ARG  18  25.030  -3.983  15.095
  141    HG2  ARG  18           HG3      ARG  18  24.872  -1.607  15.438
  142    HG3  ARG  18           HG2      ARG  18  26.558  -1.375  14.981
  143    HD2  ARG  18           HD3      ARG  18  24.524  -1.005  13.232
  144    HD3  ARG  18           HD2      ARG  18  26.112  -1.568  12.720
  145    HE   ARG  18           HE       ARG  18  24.580  -3.846  13.438
  146   HH11  ARG  18          HH11      ARG  18  23.597  -5.063  11.809
  147   HH12  ARG  18          HH12      ARG  18  23.309  -4.342  10.261
  148   HH21  ARG  18          HH21      ARG  18  24.677  -1.278  11.137
  149   HH22  ARG  18          HH22      ARG  18  23.920  -2.200   9.880
  150    H    LEU  19           HN       LEU  19  28.366  -5.256  16.204
  151    HA   LEU  19           HA       LEU  19  26.897  -7.633  16.787
  152    HB2  LEU  19           HB3      LEU  19  28.925  -8.070  15.707
  153    HB3  LEU  19           HB2      LEU  19  29.792  -6.851  16.625
  154    HG   LEU  19           HG       LEU  19  29.766  -8.337  18.616
  155   HD11  LEU  19          HD11      LEU  19  28.923 -10.587  18.492
  156   HD12  LEU  19          HD12      LEU  19  28.643 -10.455  16.757
  157   HD13  LEU  19          HD13      LEU  19  27.631  -9.557  17.884
  158   HD21  LEU  19          HD21      LEU  19  31.695  -8.480  17.199
  159   HD22  LEU  19          HD22      LEU  19  30.836  -9.475  16.025
  160   HD23  LEU  19          HD23      LEU  19  31.244 -10.134  17.609
  161    H    ILE  20           HN       ILE  20  28.778  -5.399  18.786
  162    HA   ILE  20           HA       ILE  20  28.480  -6.923  21.233
  163    HB   ILE  20           HB       ILE  20  30.044  -5.381  21.873
  164   HG12  ILE  20          HG13      ILE  20  27.877  -3.259  21.614
  165   HG13  ILE  20          HG12      ILE  20  28.109  -4.275  23.034
  166   HG21  ILE  20          HG21      ILE  20  30.587  -3.453  20.419
  167   HG22  ILE  20          HG22      ILE  20  29.106  -3.756  19.528
  168   HG23  ILE  20          HG23      ILE  20  30.396  -4.942  19.497
  169   HD11  ILE  20          HD11      ILE  20  29.950  -2.165  21.907
  170   HD12  ILE  20          HD12      ILE  20  30.518  -3.378  23.054
  171   HD13  ILE  20          HD13      ILE  20  29.246  -2.249  23.522
  172    H    ARG  21           HN       ARG  21  26.742  -4.109  19.915
  173    HA   ARG  21           HA       ARG  21  24.845  -3.845  21.971
  174    HB2  ARG  21           HB3      ARG  21  24.545  -3.396  18.993
  175    HB3  ARG  21           HB2      ARG  21  23.345  -2.892  20.186
  176    HG2  ARG  21           HG3      ARG  21  24.979  -1.480  21.302
  177    HG3  ARG  21           HG2      ARG  21  26.255  -2.055  20.233
  178    HD2  ARG  21           HD3      ARG  21  25.442   0.132  19.489
  179    HD3  ARG  21           HD2      ARG  21  25.048  -1.106  18.297
  180    HE   ARG  21           HE       ARG  21  22.774  -1.074  19.784
  181   HH11  ARG  21          HH11      ARG  21  21.054   0.368  19.531
  182   HH12  ARG  21          HH12      ARG  21  21.347   1.938  18.864
  183   HH21  ARG  21          HH21      ARG  21  24.751   1.423  18.458
  184   HH22  ARG  21          HH22      ARG  21  23.439   2.535  18.257
  185    H    ARG  22           HN       ARG  22  24.894  -5.989  19.177
  186    HA   ARG  22           HA       ARG  22  22.309  -7.178  19.728
  187    HB2  ARG  22           HB3      ARG  22  24.702  -8.056  18.095
  188    HB3  ARG  22           HB2      ARG  22  23.264  -9.065  18.264
  189    HG2  ARG  22           HG3      ARG  22  21.871  -7.221  17.392
  190    HG3  ARG  22           HG2      ARG  22  23.315  -6.225  17.202
  191    HD2  ARG  22           HD3      ARG  22  22.582  -7.380  15.089
  192    HD3  ARG  22           HD2      ARG  22  24.236  -7.749  15.574
  193    HE   ARG  22           HE       ARG  22  22.460  -9.702  16.691
  194   HH11  ARG  22          HH11      ARG  22  22.381 -11.737  15.715
  195   HH12  ARG  22          HH12      ARG  22  22.960 -11.930  14.094
  196   HH21  ARG  22          HH21      ARG  22  23.841  -8.595  13.732
  197   HH22  ARG  22          HH22      ARG  22  23.789 -10.151  12.972
  198    H    ARG  23           HN       ARG  23  25.417  -7.377  21.114
  199    HA   ARG  23           HA       ARG  23  24.836  -9.991  22.441
  200    HB2  ARG  23           HB3      ARG  23  27.091  -9.440  21.272
  201    HB3  ARG  23           HB2      ARG  23  27.404  -8.417  22.671
  202    HG2  ARG  23           HG3      ARG  23  28.306 -10.386  23.492
  203    HG3  ARG  23           HG2      ARG  23  26.636 -10.644  23.993
  204    HD2  ARG  23           HD3      ARG  23  26.355 -11.739  21.634
  205    HD3  ARG  23           HD2      ARG  23  28.116 -11.840  21.656
  206    HE   ARG  23           HE       ARG  23  26.986 -12.884  24.104
  207   HH11  ARG  23          HH11      ARG  23  27.053 -15.128  24.373
  208   HH12  ARG  23          HH12      ARG  23  27.331 -16.144  22.997
  209   HH21  ARG  23          HH21      ARG  23  27.572 -13.502  20.763
  210   HH22  ARG  23          HH22      ARG  23  27.627 -15.223  20.953
  211    H    ARG  24           HN       ARG  24  23.450  -7.466  23.196
  212    HA   ARG  24           HA       ARG  24  24.589  -6.290  25.522
  213    HB2  ARG  24           HB3      ARG  24  21.799  -6.610  24.453
  214    HB3  ARG  24           HB2      ARG  24  21.978  -6.081  26.124
  215    HG2  ARG  24           HG3      ARG  24  23.314  -4.176  25.441
  216    HG3  ARG  24           HG2      ARG  24  23.340  -4.740  23.772
  217    HD2  ARG  24           HD3      ARG  24  21.643  -3.030  23.925
  218    HD3  ARG  24           HD2      ARG  24  20.819  -4.582  23.768
  219    HE   ARG  24           HE       ARG  24  21.247  -3.713  26.539
  220   HH11  ARG  24          HH11      ARG  24  19.358  -3.315  27.710
  221   HH12  ARG  24          HH12      ARG  24  17.845  -3.195  26.875
  222   HH21  ARG  24          HH21      ARG  24  19.228  -3.729  23.740
  223   HH22  ARG  24          HH22      ARG  24  17.772  -3.424  24.629
  224    H    ARG  25           HN       ARG  25  25.582  -8.193  26.539
  225    HA   ARG  25           HA       ARG  25  24.103 -10.426  27.506
  226    HB2  ARG  25           HB3      ARG  25  26.611  -9.149  28.641
  227    HB3  ARG  25           HB2      ARG  25  26.007 -10.753  29.060
  228    HG2  ARG  25           HG3      ARG  25  26.085 -11.223  26.505
  229    HG3  ARG  25           HG2      ARG  25  27.116  -9.794  26.420
  230    HD2  ARG  25           HD3      ARG  25  27.633 -12.223  28.163
  231    HD3  ARG  25           HD2      ARG  25  28.455 -11.866  26.643
  232    HE   ARG  25           HE       ARG  25  28.646  -9.714  28.619
  233   HH11  ARG  25          HH11      ARG  25  30.733  -9.323  29.402
  234   HH12  ARG  25          HH12      ARG  25  31.984 -10.485  29.111
  235   HH21  ARG  25          HH21      ARG  25  29.922 -12.662  27.370
  236   HH22  ARG  25          HH22      ARG  25  31.524 -12.377  27.963
  Start of MODEL   12
    1    H1   PHE   1           H1       PHE   1  46.227   6.461  17.576
    2    H2   PHE   1           H2       PHE   1  46.548   8.051  18.081
    3    H3   PHE   1           H3       PHE   1  46.585   7.658  16.429
    4    HA   PHE   1           HA       PHE   1  44.208   7.155  16.487
    5    HB2  PHE   1           HB3      PHE   1  44.544   8.099  19.347
    6    HB3  PHE   1           HB2      PHE   1  42.980   7.957  18.544
    7    HD1  PHE   1           HD1      PHE   1  41.906   5.847  18.310
    8    HD2  PHE   1           HD2      PHE   1  46.013   6.040  19.555
    9    HE1  PHE   1           HE1      PHE   1  41.861   3.422  18.831
   10    HE2  PHE   1           HE2      PHE   1  45.969   3.617  20.076
   11    HZ   PHE   1           HZ       PHE   1  43.893   2.307  19.715
   12    H    ILE   2           HN       ILE   2  45.080   8.873  14.944
   13    HA   ILE   2           HA       ILE   2  44.978  11.645  15.889
   14    HB   ILE   2           HB       ILE   2  45.161  10.585  13.053
   15   HG12  ILE   2          HG13      ILE   2  47.297  11.304  15.080
   16   HG13  ILE   2          HG12      ILE   2  46.997   9.714  14.379
   17   HG21  ILE   2          HG21      ILE   2  45.757  12.756  12.398
   18   HG22  ILE   2          HG22      ILE   2  46.218  13.234  14.031
   19   HG23  ILE   2          HG23      ILE   2  44.519  13.091  13.603
   20   HD11  ILE   2          HD11      ILE   2  47.417  10.808  12.099
   21   HD12  ILE   2          HD12      ILE   2  48.826  10.606  13.142
   22   HD13  ILE   2          HD13      ILE   2  48.054  12.185  12.998
   23    H    HIS   3           HN       HIS   3  43.466  11.007  12.813
   24    HA   HIS   3           HA       HIS   3  40.750  11.160  13.896
   25    HB2  HIS   3           HB3      HIS   3  40.220  13.297  12.791
   26    HB3  HIS   3           HB2      HIS   3  41.462  13.499  14.021
   27    HD1  HIS   3           HD1      HIS   3  41.330  15.594  11.846
   28    HD2  HIS   3           HD2      HIS   3  43.684  12.165  11.483
   29    HE1  HIS   3           HE1      HIS   3  43.124  16.122  10.141
   30    HE2  HIS   3           HE2      HIS   3  44.543  14.039   9.898
   31    H    HIS   4           HN       HIS   4  42.944  10.609  11.330
   32    HA   HIS   4           HA       HIS   4  40.718  10.072   9.404
   33    HB2  HIS   4           HB3      HIS   4  42.352  10.192   7.657
   34    HB3  HIS   4           HB2      HIS   4  42.637  11.577   8.708
   35    HD1  HIS   4           HD1      HIS   4  45.017  11.863   9.402
   36    HD2  HIS   4           HD2      HIS   4  44.134   7.894   8.498
   37    HE1  HIS   4           HE1      HIS   4  47.189  10.576   9.640
   38    HE2  HIS   4           HE2      HIS   4  46.663   8.155   9.093
   39    H    ILE   5           HN       ILE   5  42.955   8.579  11.504
   40    HA   ILE   5           HA       ILE   5  43.013   6.036  10.044
   41    HB   ILE   5           HB       ILE   5  44.404   5.230  11.782
   42   HG12  ILE   5          HG13      ILE   5  43.026   5.780  13.738
   43   HG13  ILE   5          HG12      ILE   5  44.657   6.388  13.972
   44   HG21  ILE   5          HG21      ILE   5  44.875   8.219  11.559
   45   HG22  ILE   5          HG22      ILE   5  45.479   6.982  10.457
   46   HG23  ILE   5          HG23      ILE   5  46.061   7.041  12.119
   47   HD11  ILE   5          HD11      ILE   5  42.234   7.993  13.153
   48   HD12  ILE   5          HD12      ILE   5  43.868   8.636  13.153
   49   HD13  ILE   5          HD13      ILE   5  43.121   8.114  14.659
   50    H    ILE   6           HN       ILE   6  40.733   7.668  11.856
   51    HA   ILE   6           HA       ILE   6  39.580   5.279  13.146
   52    HB   ILE   6           HB       ILE   6  37.683   7.138  13.560
   53   HG12  ILE   6          HG13      ILE   6  40.136   8.881  13.313
   54   HG13  ILE   6          HG12      ILE   6  39.021   8.695  11.969
   55   HG21  ILE   6          HG21      ILE   6  38.874   6.166  15.394
   56   HG22  ILE   6          HG22      ILE   6  39.048   7.913  15.558
   57   HG23  ILE   6          HG23      ILE   6  40.380   6.952  14.918
   58   HD11  ILE   6          HD11      ILE   6  37.163   9.434  13.425
   59   HD12  ILE   6          HD12      ILE   6  38.424  10.661  13.298
   60   HD13  ILE   6          HD13      ILE   6  38.309   9.660  14.746
   61    H    GLY   7           HN       GLY   7  38.481   7.670  10.719
   62    HA2  GLY   7           HA3      GLY   7  36.192   6.196   9.898
   63    HA3  GLY   7           HA2      GLY   7  37.020   7.403   8.907
   64    H    GLY   8           HN       GLY   8  39.284   5.235   9.816
   65    HA2  GLY   8           HA3      GLY   8  39.167   3.843   7.185
   66    HA3  GLY   8           HA2      GLY   8  40.571   3.902   8.262
   67    H    LEU   9           HN       LEU   9  39.154   3.242  10.650
   68    HA   LEU   9           HA       LEU   9  38.370   0.390  10.151
   69    HB2  LEU   9           HB3      LEU   9  40.500   0.303  11.221
   70    HB3  LEU   9           HB2      LEU   9  40.123   1.667  12.268
   71    HG   LEU   9           HG       LEU   9  38.513   0.322  13.508
   72   HD11  LEU   9          HD11      LEU   9  38.420  -2.171  12.962
   73   HD12  LEU   9          HD12      LEU   9  39.206  -1.776  11.434
   74   HD13  LEU   9          HD13      LEU   9  37.615  -1.117  11.803
   75   HD21  LEU   9          HD21      LEU   9  40.779   0.177  14.313
   76   HD22  LEU   9          HD22      LEU   9  41.201  -1.000  13.069
   77   HD23  LEU   9          HD23      LEU   9  40.100  -1.450  14.372
   78    H    PHE  10           HN       PHE  10  38.121   3.215  12.291
   79    HA   PHE  10           HA       PHE  10  36.072   2.515  14.003
   80    HB2  PHE  10           HB3      PHE  10  37.351   4.778  13.622
   81    HB3  PHE  10           HB2      PHE  10  35.992   5.176  12.571
   82    HD1  PHE  10           HD1      PHE  10  37.095   4.645  16.019
   83    HD2  PHE  10           HD2      PHE  10  33.692   5.301  13.485
   84    HE1  PHE  10           HE1      PHE  10  35.728   5.227  18.008
   85    HE2  PHE  10           HE2      PHE  10  32.322   5.885  15.472
   86    HZ   PHE  10           HZ       PHE  10  33.342   5.847  17.733
   87    H    SER  11           HN       SER  11  35.853   3.208  10.563
   88    HA   SER  11           HA       SER  11  33.032   3.523  10.345
   89    HB2  SER  11           HB3      SER  11  33.376   2.689   7.986
   90    HB3  SER  11           HB2      SER  11  34.446   4.014   8.444
   91    HG   SER  11           HG       SER  11  35.996   2.339   8.998
   92    H    ALA  12           HN       ALA  12  35.070   0.601  10.175
   93    HA   ALA  12           HA       ALA  12  32.692  -1.130  10.084
   94    HB1  ALA  12           HB1      ALA  12  35.624  -1.833  10.419
   95    HB2  ALA  12           HB2      ALA  12  34.746  -1.814   8.888
   96    HB3  ALA  12           HB3      ALA  12  34.316  -2.982  10.137
   97    H    GLY  13           HN       GLY  13  35.113  -0.021  12.395
   98    HA2  GLY  13           HA3      GLY  13  34.656  -1.764  14.541
   99    HA3  GLY  13           HA2      GLY  13  35.006  -0.041  14.750
  100    H    LYS  14           HN       LYS  14  32.784   1.057  13.498
  101    HA   LYS  14           HA       LYS  14  30.809   1.083  15.542
  102    HB2  LYS  14           HB3      LYS  14  30.713   1.795  12.603
  103    HB3  LYS  14           HB2      LYS  14  29.313   1.998  13.659
  104    HG2  LYS  14           HG3      LYS  14  30.419   3.590  15.020
  105    HG3  LYS  14           HG2      LYS  14  32.010   3.144  14.394
  106    HD2  LYS  14           HD3      LYS  14  31.155   5.303  13.461
  107    HD3  LYS  14           HD2      LYS  14  31.479   4.091  12.223
  108    HE2  LYS  14           HE3      LYS  14  28.726   4.368  13.427
  109    HE3  LYS  14           HE2      LYS  14  29.239   5.397  12.089
  110    HZ1  LYS  14           HZ1      LYS  14  28.529   3.703  10.836
  111    HZ2  LYS  14           HZ2      LYS  14  28.597   2.580  12.109
  112    HZ3  LYS  14           HZ3      LYS  14  30.005   2.973  11.243
  113    H    ALA  15           HN       ALA  15  30.815  -0.621  12.413
  114    HA   ALA  15           HA       ALA  15  28.368  -2.030  12.728
  115    HB1  ALA  15           HB1      ALA  15  30.910  -2.836  11.293
  116    HB2  ALA  15           HB2      ALA  15  29.523  -2.003  10.588
  117    HB3  ALA  15           HB3      ALA  15  29.367  -3.674  11.131
  118    H    ILE  16           HN       ILE  16  31.683  -2.808  13.772
  119    HA   ILE  16           HA       ILE  16  30.840  -5.401  14.810
  120    HB   ILE  16           HB       ILE  16  33.362  -3.736  15.122
  121   HG12  ILE  16          HG13      ILE  16  34.289  -5.944  14.081
  122   HG13  ILE  16          HG12      ILE  16  32.609  -6.287  13.679
  123   HG21  ILE  16          HG21      ILE  16  32.592  -6.307  16.522
  124   HG22  ILE  16          HG22      ILE  16  33.190  -4.813  17.244
  125   HG23  ILE  16          HG23      ILE  16  34.275  -5.828  16.294
  126   HD11  ILE  16          HD11      ILE  16  33.855  -5.142  11.838
  127   HD12  ILE  16          HD12      ILE  16  34.071  -3.750  12.896
  128   HD13  ILE  16          HD13      ILE  16  32.451  -4.231  12.389
  129    H    HIS  17           HN       HIS  17  31.018  -2.114  15.901
  130    HA   HIS  17           HA       HIS  17  30.720  -2.748  18.720
  131    HB2  HIS  17           HB3      HIS  17  31.086  -0.517  18.985
  132    HB3  HIS  17           HB2      HIS  17  31.200  -0.388  17.244
  133    HD1  HIS  17           HD1      HIS  17  29.176   0.612  15.980
  134    HD2  HIS  17           HD2      HIS  17  28.542   0.177  20.072
  135    HE1  HIS  17           HE1      HIS  17  27.023   1.833  16.494
  136    HE2  HIS  17           HE2      HIS  17  26.630   1.600  18.993
  137    H    ARG  18           HN       ARG  18  28.741  -3.001  16.038
  138    HA   ARG  18           HA       ARG  18  26.215  -2.631  17.560
  139    HB2  ARG  18           HB3      ARG  18  26.816  -3.160  14.646
  140    HB3  ARG  18           HB2      ARG  18  25.183  -3.245  15.316
  141    HG2  ARG  18           HG3      ARG  18  25.310  -0.949  16.076
  142    HG3  ARG  18           HG2      ARG  18  27.002  -0.843  15.602
  143    HD2  ARG  18           HD3      ARG  18  25.147   0.127  14.005
  144    HD3  ARG  18           HD2      ARG  18  26.497  -0.774  13.319
  145    HE   ARG  18           HE       ARG  18  24.565  -2.706  13.806
  146   HH11  ARG  18          HH11      ARG  18  23.044  -3.300  12.239
  147   HH12  ARG  18          HH12      ARG  18  22.624  -2.175  10.991
  148   HH21  ARG  18          HH21      ARG  18  24.756   0.307  12.142
  149   HH22  ARG  18          HH22      ARG  18  23.593  -0.134  10.935
  150    H    LEU  19           HN       LEU  19  28.349  -5.052  16.307
  151    HA   LEU  19           HA       LEU  19  26.583  -7.299  16.510
  152    HB2  LEU  19           HB3      LEU  19  28.548  -7.806  15.348
  153    HB3  LEU  19           HB2      LEU  19  29.551  -6.850  16.428
  154    HG   LEU  19           HG       LEU  19  29.331  -8.602  18.175
  155   HD11  LEU  19          HD11      LEU  19  27.076  -9.438  17.299
  156   HD12  LEU  19          HD12      LEU  19  28.234 -10.698  17.713
  157   HD13  LEU  19          HD13      LEU  19  27.975 -10.260  16.026
  158   HD21  LEU  19          HD21      LEU  19  31.204  -8.680  16.581
  159   HD22  LEU  19          HD22      LEU  19  30.222  -9.629  15.465
  160   HD23  LEU  19          HD23      LEU  19  30.692 -10.309  17.023
  161    H    ILE  20           HN       ILE  20  28.694  -5.615  18.790
  162    HA   ILE  20           HA       ILE  20  28.212  -7.435  20.994
  163    HB   ILE  20           HB       ILE  20  29.946  -6.197  21.830
  164   HG12  ILE  20          HG13      ILE  20  28.042  -3.820  21.906
  165   HG13  ILE  20          HG12      ILE  20  28.159  -5.046  23.168
  166   HG21  ILE  20          HG21      ILE  20  30.710  -4.146  20.655
  167   HG22  ILE  20          HG22      ILE  20  29.213  -4.172  19.738
  168   HG23  ILE  20          HG23      ILE  20  30.371  -5.475  19.549
  169   HD11  ILE  20          HD11      ILE  20  30.601  -4.445  23.385
  170   HD12  ILE  20          HD12      ILE  20  29.492  -3.149  23.836
  171   HD13  ILE  20          HD13      ILE  20  30.307  -3.108  22.272
  172    H    ARG  21           HN       ARG  21  26.832  -4.268  20.122
  173    HA   ARG  21           HA       ARG  21  24.974  -4.070  22.214
  174    HB2  ARG  21           HB3      ARG  21  24.735  -3.187  19.328
  175    HB3  ARG  21           HB2      ARG  21  23.597  -2.718  20.593
  176    HG2  ARG  21           HG3      ARG  21  25.360  -1.648  21.865
  177    HG3  ARG  21           HG2      ARG  21  26.582  -2.239  20.740
  178    HD2  ARG  21           HD3      ARG  21  25.923   0.153  20.362
  179    HD3  ARG  21           HD2      ARG  21  25.692  -0.883  18.957
  180    HE   ARG  21           HE       ARG  21  23.264  -0.847  20.449
  181   HH11  ARG  21          HH11      ARG  21  21.570   0.462  19.730
  182   HH12  ARG  21          HH12      ARG  21  21.906   1.781  18.660
  183   HH21  ARG  21          HH21      ARG  21  25.318   1.175  18.556
  184   HH22  ARG  21          HH22      ARG  21  24.027   2.190  18.001
  185    H    ARG  22           HN       ARG  22  24.767  -5.768  19.135
  186    HA   ARG  22           HA       ARG  22  22.064  -6.739  19.594
  187    HB2  ARG  22           HB3      ARG  22  24.268  -7.444  17.653
  188    HB3  ARG  22           HB2      ARG  22  22.794  -8.410  17.735
  189    HG2  ARG  22           HG3      ARG  22  21.423  -6.570  17.119
  190    HG3  ARG  22           HG2      ARG  22  22.710  -5.404  17.429
  191    HD2  ARG  22           HD3      ARG  22  22.195  -6.085  14.959
  192    HD3  ARG  22           HD2      ARG  22  23.876  -5.975  15.480
  193    HE   ARG  22           HE       ARG  22  22.811  -8.647  15.854
  194   HH11  ARG  22          HH11      ARG  22  23.612 -10.238  14.461
  195   HH12  ARG  22          HH12      ARG  22  24.436  -9.767  13.012
  196   HH21  ARG  22          HH21      ARG  22  24.089  -6.370  13.602
  197   HH22  ARG  22          HH22      ARG  22  24.707  -7.579  12.527
  198    H    ARG  23           HN       ARG  23  25.188  -7.598  20.716
  199    HA   ARG  23           HA       ARG  23  24.312 -10.348  21.480
  200    HB2  ARG  23           HB3      ARG  23  26.611  -9.810  20.392
  201    HB3  ARG  23           HB2      ARG  23  27.045  -9.168  21.973
  202    HG2  ARG  23           HG3      ARG  23  27.690 -11.340  22.381
  203    HG3  ARG  23           HG2      ARG  23  25.983 -11.558  22.750
  204    HD2  ARG  23           HD3      ARG  23  25.689 -12.090  20.248
  205    HD3  ARG  23           HD2      ARG  23  27.445 -12.237  20.196
  206    HE   ARG  23           HE       ARG  23  26.783 -13.862  22.304
  207   HH11  ARG  23          HH11      ARG  23  26.195 -16.035  22.106
  208   HH12  ARG  23          HH12      ARG  23  25.502 -16.599  20.622
  209   HH21  ARG  23          HH21      ARG  23  25.636 -13.499  19.072
  210   HH22  ARG  23          HH22      ARG  23  25.182 -15.162  18.905
  211    H    ARG  24           HN       ARG  24  23.408  -7.733  22.798
  212    HA   ARG  24           HA       ARG  24  24.681  -7.478  25.334
  213    HB2  ARG  24           HB3      ARG  24  21.877  -6.908  24.360
  214    HB3  ARG  24           HB2      ARG  24  22.305  -6.683  26.056
  215    HG2  ARG  24           HG3      ARG  24  23.943  -5.038  25.536
  216    HG3  ARG  24           HG2      ARG  24  23.936  -5.460  23.825
  217    HD2  ARG  24           HD3      ARG  24  22.688  -3.365  24.240
  218    HD3  ARG  24           HD2      ARG  24  21.629  -4.629  23.615
  219    HE   ARG  24           HE       ARG  24  21.447  -4.857  26.388
  220   HH11  ARG  24          HH11      ARG  24  19.837  -3.785  27.557
  221   HH12  ARG  24          HH12      ARG  24  19.112  -2.357  26.898
  222   HH21  ARG  24          HH21      ARG  24  21.014  -2.410  23.999
  223   HH22  ARG  24          HH22      ARG  24  19.778  -1.579  24.883
  224    H    ARG  25           HN       ARG  25  25.150  -9.686  25.893
  225    HA   ARG  25           HA       ARG  25  23.241 -11.754  26.157
  226    HB2  ARG  25           HB3      ARG  25  24.865 -12.881  27.545
  227    HB3  ARG  25           HB2      ARG  25  25.743 -12.015  26.285
  228    HG2  ARG  25           HG3      ARG  25  25.979 -10.096  27.950
  229    HG3  ARG  25           HG2      ARG  25  25.394 -11.214  29.181
  230    HD2  ARG  25           HD3      ARG  25  27.707 -11.490  29.359
  231    HD3  ARG  25           HD2      ARG  25  27.284 -12.795  28.252
  232    HE   ARG  25           HE       ARG  25  27.828 -10.728  26.534
  233   HH11  ARG  25          HH11      ARG  25  29.898 -10.190  25.794
  234   HH12  ARG  25          HH12      ARG  25  31.281 -10.613  26.747
  235   HH21  ARG  25          HH21      ARG  25  29.418 -12.093  29.270
  236   HH22  ARG  25          HH22      ARG  25  31.009 -11.689  28.717
  Start of MODEL   13
    1    H1   PHE   1           H1       PHE   1  43.819   6.517  18.240
    2    H2   PHE   1           H2       PHE   1  43.102   5.026  17.852
    3    H3   PHE   1           H3       PHE   1  42.664   5.836  19.280
    4    HA   PHE   1           HA       PHE   1  41.853   6.348  16.522
    5    HB2  PHE   1           HB3      PHE   1  40.421   6.878  19.130
    6    HB3  PHE   1           HB2      PHE   1  39.714   6.652  17.531
    7    HD1  PHE   1           HD1      PHE   1  40.769   5.022  20.560
    8    HD2  PHE   1           HD2      PHE   1  40.036   4.380  16.375
    9    HE1  PHE   1           HE1      PHE   1  40.610   2.580  20.963
   10    HE2  PHE   1           HE2      PHE   1  39.877   1.938  16.779
   11    HZ   PHE   1           HZ       PHE   1  40.164   1.038  19.072
   12    H    ILE   2           HN       ILE   2  43.062   8.179  15.870
   13    HA   ILE   2           HA       ILE   2  43.113  10.547  17.641
   14    HB   ILE   2           HB       ILE   2  44.248  10.156  14.858
   15   HG12  ILE   2          HG13      ILE   2  45.696  10.210  17.519
   16   HG13  ILE   2          HG12      ILE   2  45.201   8.713  16.728
   17   HG21  ILE   2          HG21      ILE   2  45.565  12.192  15.438
   18   HG22  ILE   2          HG22      ILE   2  44.648  12.332  16.938
   19   HG23  ILE   2          HG23      ILE   2  43.836  12.521  15.388
   20   HD11  ILE   2          HD11      ILE   2  46.485   9.430  14.697
   21   HD12  ILE   2          HD12      ILE   2  47.505   9.185  16.114
   22   HD13  ILE   2          HD13      ILE   2  47.074  10.819  15.609
   23    H    HIS   3           HN       HIS   3  42.625  10.582  14.125
   24    HA   HIS   3           HA       HIS   3  39.878  11.562  14.437
   25    HB2  HIS   3           HB3      HIS   3  40.340  13.759  13.409
   26    HB3  HIS   3           HB2      HIS   3  41.159  13.574  14.958
   27    HD1  HIS   3           HD1      HIS   3  42.347  15.621  13.131
   28    HD2  HIS   3           HD2      HIS   3  43.504  11.614  12.953
   29    HE1  HIS   3           HE1      HIS   3  44.634  15.573  12.047
   30    HE2  HIS   3           HE2      HIS   3  45.330  13.142  11.910
   31    H    HIS   4           HN       HIS   4  42.402  10.311  12.524
   32    HA   HIS   4           HA       HIS   4  40.577  10.213  10.151
   33    HB2  HIS   4           HB3      HIS   4  42.497  10.449   8.667
   34    HB3  HIS   4           HB2      HIS   4  42.413  11.837   9.748
   35    HD1  HIS   4           HD1      HIS   4  44.592  12.402  10.813
   36    HD2  HIS   4           HD2      HIS   4  44.310   8.352   9.903
   37    HE1  HIS   4           HE1      HIS   4  46.809  11.368  11.480
   38    HE2  HIS   4           HE2      HIS   4  46.657   8.898  10.912
   39    H    ILE   5           HN       ILE   5  42.931   8.617  12.192
   40    HA   ILE   5           HA       ILE   5  43.063   6.205  10.576
   41    HB   ILE   5           HB       ILE   5  43.963   5.163  12.641
   42   HG12  ILE   5          HG13      ILE   5  43.092   7.799  13.858
   43   HG13  ILE   5          HG12      ILE   5  42.553   6.182  14.306
   44   HG21  ILE   5          HG21      ILE   5  45.359   6.708  11.146
   45   HG22  ILE   5          HG22      ILE   5  45.965   6.456  12.781
   46   HG23  ILE   5          HG23      ILE   5  45.117   7.947  12.379
   47   HD11  ILE   5          HD11      ILE   5  45.020   5.697  14.848
   48   HD12  ILE   5          HD12      ILE   5  44.155   6.761  15.957
   49   HD13  ILE   5          HD13      ILE   5  45.256   7.441  14.758
   50    H    ILE   6           HN       ILE   6  40.676   7.727  12.368
   51    HA   ILE   6           HA       ILE   6  39.316   5.356  13.372
   52    HB   ILE   6           HB       ILE   6  37.395   7.213  13.546
   53   HG12  ILE   6          HG13      ILE   6  39.901   8.914  13.469
   54   HG13  ILE   6          HG12      ILE   6  38.801   8.788  12.101
   55   HG21  ILE   6          HG21      ILE   6  39.925   7.260  15.214
   56   HG22  ILE   6          HG22      ILE   6  38.542   6.193  15.465
   57   HG23  ILE   6          HG23      ILE   6  38.367   7.932  15.697
   58   HD11  ILE   6          HD11      ILE   6  38.251   9.925  14.838
   59   HD12  ILE   6          HD12      ILE   6  36.939   9.445  13.762
   60   HD13  ILE   6          HD13      ILE   6  38.061  10.707  13.269
   61    H    GLY   7           HN       GLY   7  38.523   7.720  10.805
   62    HA2  GLY   7           HA3      GLY   7  36.333   6.265   9.740
   63    HA3  GLY   7           HA2      GLY   7  37.296   7.435   8.830
   64    H    GLY   8           HN       GLY   8  39.414   5.274  10.024
   65    HA2  GLY   8           HA3      GLY   8  39.577   3.821   7.433
   66    HA3  GLY   8           HA2      GLY   8  40.842   3.882   8.668
   67    H    LEU   9           HN       LEU   9  39.105   3.276  10.878
   68    HA   LEU   9           HA       LEU   9  38.358   0.427  10.316
   69    HB2  LEU   9           HB3      LEU   9  40.366   0.310  11.594
   70    HB3  LEU   9           HB2      LEU   9  39.915   1.692  12.585
   71    HG   LEU   9           HG       LEU   9  38.158   0.380  13.668
   72   HD11  LEU   9          HD11      LEU   9  38.133  -2.129  13.161
   73   HD12  LEU   9          HD12      LEU   9  39.067  -1.751  11.713
   74   HD13  LEU   9          HD13      LEU   9  37.443  -1.096  11.911
   75   HD21  LEU   9          HD21      LEU   9  40.681  -1.285  13.609
   76   HD22  LEU   9          HD22      LEU   9  39.571  -1.048  14.959
   77   HD23  LEU   9          HD23      LEU   9  40.595   0.280  14.417
   78    H    PHE  10           HN       PHE  10  37.922   3.280  12.371
   79    HA   PHE  10           HA       PHE  10  35.760   2.642  13.936
   80    HB2  PHE  10           HB3      PHE  10  37.041   4.879  13.570
   81    HB3  PHE  10           HB2      PHE  10  35.796   5.227  12.373
   82    HD1  PHE  10           HD1      PHE  10  33.787   6.214  13.085
   83    HD2  PHE  10           HD2      PHE  10  36.191   4.053  15.911
   84    HE1  PHE  10           HE1      PHE  10  32.256   6.902  14.914
   85    HE2  PHE  10           HE2      PHE  10  34.661   4.739  17.741
   86    HZ   PHE  10           HZ       PHE  10  32.692   6.165  17.241
   87    H    SER  11           HN       SER  11  35.749   3.021  10.448
   88    HA   SER  11           HA       SER  11  32.938   3.401  10.087
   89    HB2  SER  11           HB3      SER  11  35.060   2.176   8.312
   90    HB3  SER  11           HB2      SER  11  33.386   2.378   7.793
   91    HG   SER  11           HG       SER  11  34.777   4.155   7.240
   92    H    ALA  12           HN       ALA  12  34.819   0.368   9.726
   93    HA   ALA  12           HA       ALA  12  32.354  -1.210   9.860
   94    HB1  ALA  12           HB1      ALA  12  35.198  -2.227  10.059
   95    HB2  ALA  12           HB2      ALA  12  34.404  -1.890   8.519
   96    HB3  ALA  12           HB3      ALA  12  33.763  -3.137   9.591
   97    H    GLY  13           HN       GLY  13  34.979  -0.239  11.971
   98    HA2  GLY  13           HA3      GLY  13  34.656  -2.005  14.122
   99    HA3  GLY  13           HA2      GLY  13  35.077  -0.296  14.321
  100    H    LYS  14           HN       LYS  14  32.785   0.888  13.274
  101    HA   LYS  14           HA       LYS  14  31.001   0.907  15.502
  102    HB2  LYS  14           HB3      LYS  14  30.691   1.751  12.613
  103    HB3  LYS  14           HB2      LYS  14  29.369   1.922  13.767
  104    HG2  LYS  14           HG3      LYS  14  30.549   3.471  15.092
  105    HG3  LYS  14           HG2      LYS  14  32.113   2.993  14.426
  106    HD2  LYS  14           HD3      LYS  14  31.351   5.191  13.548
  107    HD3  LYS  14           HD2      LYS  14  31.535   3.991  12.270
  108    HE2  LYS  14           HE3      LYS  14  29.400   5.368  12.162
  109    HE3  LYS  14           HE2      LYS  14  29.169   3.619  12.157
  110    HZ1  LYS  14           HZ1      LYS  14  28.249   3.642  14.194
  111    HZ2  LYS  14           HZ2      LYS  14  27.897   5.260  13.811
  112    HZ3  LYS  14           HZ3      LYS  14  29.249   4.886  14.769
  113    H    ALA  15           HN       ALA  15  30.701  -0.694  12.337
  114    HA   ALA  15           HA       ALA  15  28.239  -2.029  12.789
  115    HB1  ALA  15           HB1      ALA  15  30.634  -2.960  11.190
  116    HB2  ALA  15           HB2      ALA  15  29.324  -1.948  10.584
  117    HB3  ALA  15           HB3      ALA  15  29.003  -3.616  11.060
  118    H    ILE  16           HN       ILE  16  31.582  -2.948  13.604
  119    HA   ILE  16           HA       ILE  16  30.709  -5.546  14.614
  120    HB   ILE  16           HB       ILE  16  33.303  -3.979  14.758
  121   HG12  ILE  16          HG13      ILE  16  34.095  -6.197  13.678
  122   HG13  ILE  16          HG12      ILE  16  32.387  -6.550  13.446
  123   HG21  ILE  16          HG21      ILE  16  34.235  -6.081  15.896
  124   HG22  ILE  16          HG22      ILE  16  32.561  -6.500  16.260
  125   HG23  ILE  16          HG23      ILE  16  33.259  -5.015  16.907
  126   HD11  ILE  16          HD11      ILE  16  32.108  -4.508  12.140
  127   HD12  ILE  16          HD12      ILE  16  33.428  -5.455  11.463
  128   HD13  ILE  16          HD13      ILE  16  33.779  -4.045  12.459
  129    H    HIS  17           HN       HIS  17  31.133  -2.308  15.789
  130    HA   HIS  17           HA       HIS  17  30.928  -3.017  18.600
  131    HB2  HIS  17           HB3      HIS  17  31.458  -0.819  18.888
  132    HB3  HIS  17           HB2      HIS  17  31.454  -0.639  17.146
  133    HD1  HIS  17           HD1      HIS  17  29.383   0.469  16.053
  134    HD2  HIS  17           HD2      HIS  17  29.057   0.011  20.179
  135    HE1  HIS  17           HE1      HIS  17  27.357   1.808  16.753
  136    HE2  HIS  17           HE2      HIS  17  27.158   1.566  19.274
  137    H    ARG  18           HN       ARG  18  28.811  -3.094  16.016
  138    HA   ARG  18           HA       ARG  18  26.390  -2.627  17.683
  139    HB2  ARG  18           HB3      ARG  18  26.812  -3.092  14.726
  140    HB3  ARG  18           HB2      ARG  18  25.216  -3.151  15.476
  141    HG2  ARG  18           HG3      ARG  18  25.462  -0.882  16.302
  142    HG3  ARG  18           HG2      ARG  18  27.118  -0.808  15.706
  143    HD2  ARG  18           HD3      ARG  18  25.188   0.242  14.264
  144    HD3  ARG  18           HD2      ARG  18  26.448  -0.697  13.465
  145    HE   ARG  18           HE       ARG  18  24.545  -2.595  14.031
  146   HH11  ARG  18          HH11      ARG  18  22.814  -3.079  12.669
  147   HH12  ARG  18          HH12      ARG  18  22.231  -1.875  11.568
  148   HH21  ARG  18          HH21      ARG  18  24.530   0.523  12.566
  149   HH22  ARG  18          HH22      ARG  18  23.201   0.167  11.513
  150    H    LEU  19           HN       LEU  19  28.341  -5.129  16.278
  151    HA   LEU  19           HA       LEU  19  26.446  -7.276  16.483
  152    HB2  LEU  19           HB3      LEU  19  28.313  -7.883  15.219
  153    HB3  LEU  19           HB2      LEU  19  29.423  -6.995  16.249
  154    HG   LEU  19           HG       LEU  19  29.215  -8.763  17.985
  155   HD11  LEU  19          HD11      LEU  19  27.974 -10.770  17.602
  156   HD12  LEU  19          HD12      LEU  19  27.702 -10.368  15.907
  157   HD13  LEU  19          HD13      LEU  19  26.868  -9.468  17.170
  158   HD21  LEU  19          HD21      LEU  19  31.002  -8.911  16.318
  159   HD22  LEU  19          HD22      LEU  19  29.922  -9.755  15.210
  160   HD23  LEU  19          HD23      LEU  19  30.414 -10.524  16.718
  161    H    ILE  20           HN       ILE  20  28.739  -5.777  18.709
  162    HA   ILE  20           HA       ILE  20  28.256  -7.642  20.890
  163    HB   ILE  20           HB       ILE  20  30.110  -6.524  21.647
  164   HG12  ILE  20          HG13      ILE  20  28.323  -4.075  21.947
  165   HG13  ILE  20          HG12      ILE  20  28.465  -5.363  23.142
  166   HG21  ILE  20          HG21      ILE  20  29.360  -4.358  19.705
  167   HG22  ILE  20          HG22      ILE  20  30.429  -5.707  19.372
  168   HG23  ILE  20          HG23      ILE  20  30.909  -4.465  20.522
  169   HD11  ILE  20          HD11      ILE  20  30.921  -4.871  23.270
  170   HD12  ILE  20          HD12      ILE  20  29.911  -3.517  23.779
  171   HD13  ILE  20          HD13      ILE  20  30.660  -3.506  22.183
  172    H    ARG  21           HN       ARG  21  27.013  -4.402  20.124
  173    HA   ARG  21           HA       ARG  21  25.250  -4.177  22.327
  174    HB2  ARG  21           HB3      ARG  21  24.951  -3.092  19.508
  175    HB3  ARG  21           HB2      ARG  21  23.980  -2.574  20.886
  176    HG2  ARG  21           HG3      ARG  21  25.887  -1.673  22.015
  177    HG3  ARG  21           HG2      ARG  21  27.002  -2.453  20.897
  178    HD2  ARG  21           HD3      ARG  21  26.589  -0.909  19.198
  179    HD3  ARG  21           HD2      ARG  21  24.983  -0.512  19.803
  180    HE   ARG  21           HE       ARG  21  27.458   0.766  20.580
  181   HH11  ARG  21          HH11      ARG  21  27.296   2.362  22.175
  182   HH12  ARG  21          HH12      ARG  21  25.867   2.451  23.149
  183   HH21  ARG  21          HH21      ARG  21  24.324  -0.239  21.602
  184   HH22  ARG  21          HH22      ARG  21  24.185   0.980  22.824
  185    H    ARG  22           HN       ARG  22  24.786  -5.619  19.133
  186    HA   ARG  22           HA       ARG  22  22.030  -6.357  19.556
  187    HB2  ARG  22           HB3      ARG  22  24.206  -7.378  17.721
  188    HB3  ARG  22           HB2      ARG  22  22.605  -8.119  17.753
  189    HG2  ARG  22           HG3      ARG  22  21.542  -6.108  17.052
  190    HG3  ARG  22           HG2      ARG  22  22.983  -5.143  17.380
  191    HD2  ARG  22           HD3      ARG  22  22.786  -5.514  14.974
  192    HD3  ARG  22           HD2      ARG  22  24.185  -6.389  15.594
  193    HE   ARG  22           HE       ARG  22  21.724  -7.979  15.492
  194   HH11  ARG  22          HH11      ARG  22  21.791  -9.738  14.074
  195   HH12  ARG  22          HH12      ARG  22  23.064  -9.842  12.904
  196   HH21  ARG  22          HH21      ARG  22  24.582  -6.888  13.898
  197   HH22  ARG  22          HH22      ARG  22  24.643  -8.230  12.805
  198    H    ARG  23           HN       ARG  23  25.039  -7.504  20.711
  199    HA   ARG  23           HA       ARG  23  23.947 -10.143  21.523
  200    HB2  ARG  23           HB3      ARG  23  26.349  -9.709  20.592
  201    HB3  ARG  23           HB2      ARG  23  26.696  -9.085  22.202
  202    HG2  ARG  23           HG3      ARG  23  27.259 -11.323  22.505
  203    HG3  ARG  23           HG2      ARG  23  25.564 -11.367  22.985
  204    HD2  ARG  23           HD3      ARG  23  25.116 -11.864  20.454
  205    HD3  ARG  23           HD2      ARG  23  26.825 -12.297  20.411
  206    HE   ARG  23           HE       ARG  23  25.467 -13.605  22.605
  207   HH11  ARG  23          HH11      ARG  23  25.113 -15.830  22.388
  208   HH12  ARG  23          HH12      ARG  23  25.236 -16.564  20.824
  209   HH21  ARG  23          HH21      ARG  23  26.009 -13.600  19.199
  210   HH22  ARG  23          HH22      ARG  23  25.742 -15.301  19.020
  211    H    ARG  24           HN       ARG  24  22.959  -7.567  22.661
  212    HA   ARG  24           HA       ARG  24  24.015  -7.052  25.227
  213    HB2  ARG  24           HB3      ARG  24  21.546  -6.408  25.763
  214    HB3  ARG  24           HB2      ARG  24  22.391  -5.507  24.507
  215    HG2  ARG  24           HG3      ARG  24  21.347  -6.867  22.769
  216    HG3  ARG  24           HG2      ARG  24  20.574  -7.880  23.987
  217    HD2  ARG  24           HD3      ARG  24  20.119  -4.900  23.678
  218    HD3  ARG  24           HD2      ARG  24  19.035  -6.151  23.069
  219    HE   ARG  24           HE       ARG  24  19.482  -6.588  25.859
  220   HH11  ARG  24          HH11      ARG  24  17.858  -5.964  27.307
  221   HH12  ARG  24          HH12      ARG  24  16.665  -4.814  26.805
  222   HH21  ARG  24          HH21      ARG  24  17.985  -4.432  23.623
  223   HH22  ARG  24          HH22      ARG  24  16.735  -3.948  24.722
  224    H    ARG  25           HN       ARG  25  24.611  -9.070  26.095
  225    HA   ARG  25           HA       ARG  25  22.935 -11.330  26.416
  226    HB2  ARG  25           HB3      ARG  25  25.003 -10.513  28.466
  227    HB3  ARG  25           HB2      ARG  25  24.555 -12.138  27.945
  228    HG2  ARG  25           HG3      ARG  25  25.426 -11.530  25.642
  229    HG3  ARG  25           HG2      ARG  25  26.074 -10.055  26.359
  230    HD2  ARG  25           HD3      ARG  25  27.785 -11.838  26.279
  231    HD3  ARG  25           HD2      ARG  25  27.404 -11.385  27.941
  232    HE   ARG  25           HE       ARG  25  26.591 -13.571  28.265
  233   HH11  ARG  25          HH11      ARG  25  25.996 -15.635  27.562
  234   HH12  ARG  25          HH12      ARG  25  25.838 -15.945  25.865
  235   HH21  ARG  25          HH21      ARG  25  26.680 -12.713  24.929
  236   HH22  ARG  25          HH22      ARG  25  26.225 -14.290  24.374
  Start of MODEL   14
    1    H1   PHE   1           H1       PHE   1  44.754   5.287  17.466
    2    H2   PHE   1           H2       PHE   1  45.706   6.256  18.487
    3    H3   PHE   1           H3       PHE   1  45.481   6.693  16.860
    4    HA   PHE   1           HA       PHE   1  42.958   6.645  17.572
    5    HB2  PHE   1           HB3      PHE   1  44.533   7.274  20.087
    6    HB3  PHE   1           HB2      PHE   1  42.822   7.644  19.876
    7    HD1  PHE   1           HD1      PHE   1  41.156   5.826  19.648
    8    HD2  PHE   1           HD2      PHE   1  45.302   5.006  20.414
    9    HE1  PHE   1           HE1      PHE   1  40.575   3.507  20.314
   10    HE2  PHE   1           HE2      PHE   1  44.722   2.689  21.077
   11    HZ   PHE   1           HZ       PHE   1  42.358   1.939  21.027
   12    H    ILE   2           HN       ILE   2  44.524   7.999  15.805
   13    HA   ILE   2           HA       ILE   2  44.900  10.766  16.797
   14    HB   ILE   2           HB       ILE   2  45.387   9.628  14.025
   15   HG12  ILE   2          HG13      ILE   2  47.407  10.161  16.219
   16   HG13  ILE   2          HG12      ILE   2  46.720   8.568  15.907
   17   HG21  ILE   2          HG21      ILE   2  46.699  12.071  15.213
   18   HG22  ILE   2          HG22      ILE   2  45.114  12.213  14.465
   19   HG23  ILE   2          HG23      ILE   2  46.483  11.642  13.518
   20   HD11  ILE   2          HD11      ILE   2  48.075  10.199  13.751
   21   HD12  ILE   2          HD12      ILE   2  47.651   8.487  13.709
   22   HD13  ILE   2          HD13      ILE   2  48.949   9.049  14.763
   23    H    HIS   3           HN       HIS   3  43.867  10.339  13.500
   24    HA   HIS   3           HA       HIS   3  41.070  10.999  14.074
   25    HB2  HIS   3           HB3      HIS   3  41.137  13.155  12.883
   26    HB3  HIS   3           HB2      HIS   3  42.159  13.185  14.318
   27    HD1  HIS   3           HD1      HIS   3  42.778  15.181  12.128
   28    HD2  HIS   3           HD2      HIS   3  44.526  11.390  12.234
   29    HE1  HIS   3           HE1      HIS   3  44.920  15.329  10.788
   30    HE2  HIS   3           HE2      HIS   3  45.974  13.029  10.827
   31    H    HIS   4           HN       HIS   4  43.558   9.981  11.963
   32    HA   HIS   4           HA       HIS   4  41.685   9.806   9.643
   33    HB2  HIS   4           HB3      HIS   4  43.600   9.530   8.252
   34    HB3  HIS   4           HB2      HIS   4  44.026  10.816   9.380
   35    HD1  HIS   4           HD1      HIS   4  46.224  10.496  10.535
   36    HD2  HIS   4           HD2      HIS   4  44.572   6.873   9.303
   37    HE1  HIS   4           HE1      HIS   4  47.918   8.702  11.122
   38    HE2  HIS   4           HE2      HIS   4  46.923   6.489  10.375
   39    H    ILE   5           HN       ILE   5  42.833   8.027  12.240
   40    HA   ILE   5           HA       ILE   5  42.699   5.423  10.839
   41    HB   ILE   5           HB       ILE   5  43.571   4.455  12.813
   42   HG12  ILE   5          HG13      ILE   5  42.049   5.375  14.487
   43   HG13  ILE   5          HG12      ILE   5  43.706   5.694  14.982
   44   HG21  ILE   5          HG21      ILE   5  45.503   5.883  13.386
   45   HG22  ILE   5          HG22      ILE   5  44.706   7.262  12.632
   46   HG23  ILE   5          HG23      ILE   5  45.195   5.881  11.651
   47   HD11  ILE   5          HD11      ILE   5  41.771   7.642  13.726
   48   HD12  ILE   5          HD12      ILE   5  43.487   7.982  13.911
   49   HD13  ILE   5          HD13      ILE   5  42.480   7.723  15.332
   50    H    ILE   6           HN       ILE   6  40.509   7.584  12.000
   51    HA   ILE   6           HA       ILE   6  38.692   5.612  13.246
   52    HB   ILE   6           HB       ILE   6  37.180   7.854  13.120
   53   HG12  ILE   6          HG13      ILE   6  39.958   9.017  13.346
   54   HG13  ILE   6          HG12      ILE   6  39.152   8.920  11.786
   55   HG21  ILE   6          HG21      ILE   6  38.089   8.453  15.344
   56   HG22  ILE   6          HG22      ILE   6  39.472   7.398  15.051
   57   HG23  ILE   6          HG23      ILE   6  37.854   6.712  15.182
   58   HD11  ILE   6          HD11      ILE   6  37.986  10.249  14.244
   59   HD12  ILE   6          HD12      ILE   6  37.276  10.228  12.629
   60   HD13  ILE   6          HD13      ILE   6  38.779  11.104  12.921
   61    H    GLY   7           HN       GLY   7  38.149   8.033  10.663
   62    HA2  GLY   7           HA3      GLY   7  35.972   6.617   9.503
   63    HA3  GLY   7           HA2      GLY   7  36.941   7.831   8.660
   64    H    GLY   8           HN       GLY   8  39.000   5.556   9.821
   65    HA2  GLY   8           HA3      GLY   8  39.157   4.177   7.175
   66    HA3  GLY   8           HA2      GLY   8  40.476   4.300   8.349
   67    H    LEU   9           HN       LEU   9  38.837   3.677  10.635
   68    HA   LEU   9           HA       LEU   9  38.297   0.762  10.182
   69    HB2  LEU   9           HB3      LEU   9  40.226   0.924  11.582
   70    HB3  LEU   9           HB2      LEU   9  39.562   2.288  12.474
   71    HG   LEU   9           HG       LEU   9  37.892   0.851  13.512
   72   HD11  LEU   9          HD11      LEU   9  39.083  -1.242  11.676
   73   HD12  LEU   9          HD12      LEU   9  37.398  -0.739  11.789
   74   HD13  LEU   9          HD13      LEU   9  38.128  -1.670  13.095
   75   HD21  LEU   9          HD21      LEU   9  39.410  -0.629  14.799
   76   HD22  LEU   9          HD22      LEU   9  40.100   0.981  14.584
   77   HD23  LEU   9          HD23      LEU   9  40.670  -0.365  13.595
   78    H    PHE  10           HN       PHE  10  37.494   3.650  12.092
   79    HA   PHE  10           HA       PHE  10  35.275   2.895  13.520
   80    HB2  PHE  10           HB3      PHE  10  36.389   5.213  13.177
   81    HB3  PHE  10           HB2      PHE  10  35.245   5.414  11.851
   82    HD1  PHE  10           HD1      PHE  10  35.311   4.277  15.429
   83    HD2  PHE  10           HD2      PHE  10  33.180   6.398  12.362
   84    HE1  PHE  10           HE1      PHE  10  33.568   4.911  17.080
   85    HE2  PHE  10           HE2      PHE  10  31.435   7.031  14.012
   86    HZ   PHE  10           HZ       PHE  10  31.632   6.288  16.372
   87    H    SER  11           HN       SER  11  35.492   3.244  10.025
   88    HA   SER  11           HA       SER  11  32.710   3.303   9.418
   89    HB2  SER  11           HB3      SER  11  35.096   2.212   7.908
   90    HB3  SER  11           HB2      SER  11  33.464   2.176   7.238
   91    HG   SER  11           HG       SER  11  34.833   4.081   6.761
   92    H    ALA  12           HN       ALA  12  34.943   0.549   9.802
   93    HA   ALA  12           HA       ALA  12  32.683  -1.352   9.684
   94    HB1  ALA  12           HB1      ALA  12  34.513  -3.038  10.206
   95    HB2  ALA  12           HB2      ALA  12  35.664  -1.704  10.110
   96    HB3  ALA  12           HB3      ALA  12  34.724  -2.162   8.689
   97    H    GLY  13           HN       GLY  13  34.712   0.330  11.952
   98    HA2  GLY  13           HA3      GLY  13  34.413  -1.187  14.288
   99    HA3  GLY  13           HA2      GLY  13  34.460   0.585  14.274
  100    H    LYS  14           HN       LYS  14  32.180   1.122  12.783
  101    HA   LYS  14           HA       LYS  14  30.100   1.079  14.712
  102    HB2  LYS  14           HB3      LYS  14  29.984   1.249  11.687
  103    HB3  LYS  14           HB2      LYS  14  28.572   1.468  12.720
  104    HG2  LYS  14           HG3      LYS  14  29.498   3.406  13.752
  105    HG3  LYS  14           HG2      LYS  14  31.106   3.074  13.098
  106    HD2  LYS  14           HD3      LYS  14  30.340   3.522  10.838
  107    HD3  LYS  14           HD2      LYS  14  28.675   3.694  11.395
  108    HE2  LYS  14           HE3      LYS  14  30.971   5.461  12.288
  109    HE3  LYS  14           HE2      LYS  14  29.812   5.893  11.032
  110    HZ1  LYS  14           HZ1      LYS  14  29.498   6.440  13.636
  111    HZ2  LYS  14           HZ2      LYS  14  28.635   4.983  13.509
  112    HZ3  LYS  14           HZ3      LYS  14  28.220   6.307  12.529
  113    H    ALA  15           HN       ALA  15  30.590  -1.061  11.896
  114    HA   ALA  15           HA       ALA  15  28.402  -2.815  12.366
  115    HB1  ALA  15           HB1      ALA  15  29.680  -2.892  10.282
  116    HB2  ALA  15           HB2      ALA  15  29.721  -4.473  11.063
  117    HB3  ALA  15           HB3      ALA  15  31.119  -3.403  11.162
  118    H    ILE  16           HN       ILE  16  31.729  -2.815  13.627
  119    HA   ILE  16           HA       ILE  16  31.291  -5.339  15.032
  120    HB   ILE  16           HB       ILE  16  33.452  -3.209  15.153
  121   HG12  ILE  16          HG13      ILE  16  34.822  -5.336  14.518
  122   HG13  ILE  16          HG12      ILE  16  33.260  -6.049  14.132
  123   HG21  ILE  16          HG21      ILE  16  34.653  -4.869  16.686
  124   HG22  ILE  16          HG22      ILE  16  33.082  -5.634  16.927
  125   HG23  ILE  16          HG23      ILE  16  33.333  -3.959  17.422
  126   HD11  ILE  16          HD11      ILE  16  34.285  -3.442  12.979
  127   HD12  ILE  16          HD12      ILE  16  32.807  -4.286  12.517
  128   HD13  ILE  16          HD13      ILE  16  34.377  -5.000  12.160
  129    H    HIS  17           HN       HIS  17  30.818  -1.955  15.588
  130    HA   HIS  17           HA       HIS  17  30.437  -2.193  18.459
  131    HB2  HIS  17           HB3      HIS  17  30.399   0.084  18.361
  132    HB3  HIS  17           HB2      HIS  17  30.609  -0.047  16.627
  133    HD1  HIS  17           HD1      HIS  17  28.544   0.389  15.136
  134    HD2  HIS  17           HD2      HIS  17  27.695   0.444  19.212
  135    HE1  HIS  17           HE1      HIS  17  26.189   1.282  15.353
  136    HE2  HIS  17           HE2      HIS  17  25.658   1.340  17.836
  137    H    ARG  18           HN       ARG  18  28.732  -3.206  15.760
  138    HA   ARG  18           HA       ARG  18  26.080  -3.088  17.096
  139    HB2  ARG  18           HB3      ARG  18  26.955  -3.980  14.344
  140    HB3  ARG  18           HB2      ARG  18  25.327  -4.249  14.972
  141    HG2  ARG  18           HG3      ARG  18  25.033  -1.857  15.338
  142    HG3  ARG  18           HG2      ARG  18  26.684  -1.549  14.805
  143    HD2  ARG  18           HD3      ARG  18  24.658  -1.274  13.113
  144    HD3  ARG  18           HD2      ARG  18  26.185  -1.961  12.565
  145    HE   ARG  18           HE       ARG  18  24.855  -4.200  13.334
  146   HH11  ARG  18          HH11      ARG  18  23.373  -5.343  12.076
  147   HH12  ARG  18          HH12      ARG  18  22.467  -4.515  10.855
  148   HH21  ARG  18          HH21      ARG  18  23.917  -1.431  11.496
  149   HH22  ARG  18          HH22      ARG  18  22.776  -2.300  10.527
  150    H    LEU  19           HN       LEU  19  28.709  -5.228  16.361
  151    HA   LEU  19           HA       LEU  19  27.370  -7.713  16.828
  152    HB2  LEU  19           HB3      LEU  19  29.509  -7.985  15.909
  153    HB3  LEU  19           HB2      LEU  19  30.208  -6.724  16.913
  154    HG   LEU  19           HG       LEU  19  30.083  -8.239  18.884
  155   HD11  LEU  19          HD11      LEU  19  29.241 -10.338  16.859
  156   HD12  LEU  19          HD12      LEU  19  28.134  -9.584  18.002
  157   HD13  LEU  19          HD13      LEU  19  29.469 -10.574  18.590
  158   HD21  LEU  19          HD21      LEU  19  31.911  -9.657  18.236
  159   HD22  LEU  19          HD22      LEU  19  32.076  -8.151  17.335
  160   HD23  LEU  19          HD23      LEU  19  31.437  -9.590  16.540
  161    H    ILE  20           HN       ILE  20  28.934  -5.344  18.927
  162    HA   ILE  20           HA       ILE  20  28.544  -6.860  21.374
  163    HB   ILE  20           HB       ILE  20  29.974  -5.229  22.101
  164   HG12  ILE  20          HG13      ILE  20  27.720  -3.233  21.649
  165   HG13  ILE  20          HG12      ILE  20  27.913  -4.210  23.103
  166   HG21  ILE  20          HG21      ILE  20  29.135  -3.674  19.670
  167   HG22  ILE  20          HG22      ILE  20  30.475  -4.804  19.746
  168   HG23  ILE  20          HG23      ILE  20  30.535  -3.302  20.661
  169   HD11  ILE  20          HD11      ILE  20  30.177  -3.176  23.408
  170   HD12  ILE  20          HD12      ILE  20  28.855  -2.011  23.504
  171   HD13  ILE  20          HD13      ILE  20  29.829  -2.121  22.038
  172    H    ARG  21           HN       ARG  21  26.753  -4.175  19.876
  173    HA   ARG  21           HA       ARG  21  24.707  -4.006  21.809
  174    HB2  ARG  21           HB3      ARG  21  24.584  -3.550  18.820
  175    HB3  ARG  21           HB2      ARG  21  23.289  -3.114  19.937
  176    HG2  ARG  21           HG3      ARG  21  24.752  -1.611  21.142
  177    HG3  ARG  21           HG2      ARG  21  26.141  -2.136  20.193
  178    HD2  ARG  21           HD3      ARG  21  25.348  -0.023  19.307
  179    HD3  ARG  21           HD2      ARG  21  24.994  -1.300  18.143
  180    HE   ARG  21           HE       ARG  21  22.682  -1.010  18.578
  181   HH11  ARG  21          HH11      ARG  21  20.961   0.138  19.484
  182   HH12  ARG  21          HH12      ARG  21  21.266   1.253  20.774
  183   HH21  ARG  21          HH21      ARG  21  24.680   0.658  20.839
  184   HH22  ARG  21          HH22      ARG  21  23.370   1.547  21.541
  185    H    ARG  22           HN       ARG  22  25.061  -6.097  18.993
  186    HA   ARG  22           HA       ARG  22  22.516  -7.429  19.295
  187    HB2  ARG  22           HB3      ARG  22  25.112  -8.149  17.917
  188    HB3  ARG  22           HB2      ARG  22  23.748  -9.269  17.956
  189    HG2  ARG  22           HG3      ARG  22  22.309  -7.586  16.896
  190    HG3  ARG  22           HG2      ARG  22  23.639  -6.427  16.898
  191    HD2  ARG  22           HD3      ARG  22  23.573  -7.399  14.703
  192    HD3  ARG  22           HD2      ARG  22  24.963  -8.101  15.530
  193    HE   ARG  22           HE       ARG  22  22.963  -9.910  16.069
  194   HH11  ARG  22          HH11      ARG  22  22.455 -11.645  14.716
  195   HH12  ARG  22          HH12      ARG  22  22.798 -11.535  13.022
  196   HH21  ARG  22          HH21      ARG  22  24.137  -8.343  13.230
  197   HH22  ARG  22          HH22      ARG  22  23.754  -9.667  12.183
  198    H    ARG  23           HN       ARG  23  25.505  -7.515  20.959
  199    HA   ARG  23           HA       ARG  23  24.942 -10.164  22.189
  200    HB2  ARG  23           HB3      ARG  23  27.290  -9.352  21.387
  201    HB3  ARG  23           HB2      ARG  23  27.292  -8.385  22.860
  202    HG2  ARG  23           HG3      ARG  23  28.260 -10.340  23.670
  203    HG3  ARG  23           HG2      ARG  23  26.563 -10.692  23.991
  204    HD2  ARG  23           HD3      ARG  23  26.628 -11.676  21.522
  205    HD3  ARG  23           HD2      ARG  23  28.357 -11.799  21.848
  206    HE   ARG  23           HE       ARG  23  27.159 -12.942  24.077
  207   HH11  ARG  23          HH11      ARG  23  26.719 -15.167  24.181
  208   HH12  ARG  23          HH12      ARG  23  26.517 -16.062  22.712
  209   HH21  ARG  23          HH21      ARG  23  27.022 -13.314  20.658
  210   HH22  ARG  23          HH22      ARG  23  26.684 -15.011  20.716
  211    H    ARG  24           HN       ARG  24  23.301  -7.714  22.703
  212    HA   ARG  24           HA       ARG  24  23.918  -6.561  25.217
  213    HB2  ARG  24           HB3      ARG  24  21.327  -6.345  25.374
  214    HB3  ARG  24           HB2      ARG  24  22.153  -5.520  24.052
  215    HG2  ARG  24           HG3      ARG  24  21.600  -7.309  22.508
  216    HG3  ARG  24           HG2      ARG  24  20.923  -8.283  23.812
  217    HD2  ARG  24           HD3      ARG  24  19.064  -7.263  22.720
  218    HD3  ARG  24           HD2      ARG  24  19.294  -6.363  24.219
  219    HE   ARG  24           HE       ARG  24  20.779  -4.893  22.470
  220   HH11  ARG  24          HH11      ARG  24  19.980  -3.293  21.091
  221   HH12  ARG  24          HH12      ARG  24  18.329  -3.362  20.569
  222   HH21  ARG  24          HH21      ARG  24  17.616  -6.264  22.328
  223   HH22  ARG  24          HH22      ARG  24  16.992  -5.043  21.270
  224    H    ARG  25           HN       ARG  25  24.791  -8.357  26.416
  225    HA   ARG  25           HA       ARG  25  23.425 -10.762  27.001
  226    HB2  ARG  25           HB3      ARG  25  25.366  -9.206  28.738
  227    HB3  ARG  25           HB2      ARG  25  24.901 -10.888  28.994
  228    HG2  ARG  25           HG3      ARG  25  25.679 -11.284  26.563
  229    HG3  ARG  25           HG2      ARG  25  26.465  -9.711  26.696
  230    HD2  ARG  25           HD3      ARG  25  28.147 -11.236  27.345
  231    HD3  ARG  25           HD2      ARG  25  27.512 -10.638  28.878
  232    HE   ARG  25           HE       ARG  25  25.988 -12.905  28.317
  233   HH11  ARG  25          HH11      ARG  25  26.580 -14.961  29.057
  234   HH12  ARG  25          HH12      ARG  25  28.234 -15.281  29.458
  235   HH21  ARG  25          HH21      ARG  25  29.320 -12.085  28.658
  236   HH22  ARG  25          HH22      ARG  25  29.786 -13.652  29.229
  Start of MODEL   15
    1    H1   PHE   1           H1       PHE   1  45.955   7.289  15.589
    2    H2   PHE   1           H2       PHE   1  45.879   5.821  16.441
    3    H3   PHE   1           H3       PHE   1  46.724   7.142  17.093
    4    HA   PHE   1           HA       PHE   1  43.798   6.824  16.770
    5    HB2  PHE   1           HB3      PHE   1  45.035   5.934  18.813
    6    HB3  PHE   1           HB2      PHE   1  45.445   7.609  19.188
    7    HD1  PHE   1           HD1      PHE   1  43.941   8.909  20.443
    8    HD2  PHE   1           HD2      PHE   1  42.501   5.443  18.354
    9    HE1  PHE   1           HE1      PHE   1  41.706   9.219  21.470
   10    HE2  PHE   1           HE2      PHE   1  40.266   5.753  19.381
   11    HZ   PHE   1           HZ       PHE   1  39.868   7.640  20.939
   12    H    ILE   2           HN       ILE   2  44.740   8.720  15.080
   13    HA   ILE   2           HA       ILE   2  44.713  11.328  16.518
   14    HB   ILE   2           HB       ILE   2  45.180  10.725  13.576
   15   HG12  ILE   2          HG13      ILE   2  47.568  11.299  14.191
   16   HG13  ILE   2          HG12      ILE   2  47.085  11.235  15.883
   17   HG21  ILE   2          HG21      ILE   2  45.797  12.998  13.332
   18   HG22  ILE   2          HG22      ILE   2  45.906  13.248  15.073
   19   HG23  ILE   2          HG23      ILE   2  44.335  13.073  14.306
   20   HD11  ILE   2          HD11      ILE   2  46.958   8.948  15.897
   21   HD12  ILE   2          HD12      ILE   2  48.078   9.099  14.547
   22   HD13  ILE   2          HD13      ILE   2  46.361   8.853  14.238
   23    H    HIS   3           HN       HIS   3  43.451  10.996  13.264
   24    HA   HIS   3           HA       HIS   3  40.656  11.084  14.148
   25    HB2  HIS   3           HB3      HIS   3  40.210  13.285  13.131
   26    HB3  HIS   3           HB2      HIS   3  41.353  13.415  14.464
   27    HD1  HIS   3           HD1      HIS   3  41.385  15.630  12.409
   28    HD2  HIS   3           HD2      HIS   3  43.760  12.219  12.022
   29    HE1  HIS   3           HE1      HIS   3  43.308  16.254  10.885
   30    HE2  HIS   3           HE2      HIS   3  44.744  14.183  10.631
   31    H    HIS   4           HN       HIS   4  43.049  10.628  11.778
   32    HA   HIS   4           HA       HIS   4  41.016  10.236   9.616
   33    HB2  HIS   4           HB3      HIS   4  42.836  10.366   8.049
   34    HB3  HIS   4           HB2      HIS   4  43.023  11.717   9.166
   35    HD1  HIS   4           HD1      HIS   4  45.310  11.936  10.142
   36    HD2  HIS   4           HD2      HIS   4  44.477   8.016   9.007
   37    HE1  HIS   4           HE1      HIS   4  47.417  10.600  10.596
   38    HE2  HIS   4           HE2      HIS   4  46.925   8.210   9.898
   39    H    ILE   5           HN       ILE   5  42.825   8.610  11.938
   40    HA   ILE   5           HA       ILE   5  43.048   6.111  10.392
   41    HB   ILE   5           HB       ILE   5  44.227   5.228  12.243
   42   HG12  ILE   5          HG13      ILE   5  42.664   5.743  14.056
   43   HG13  ILE   5          HG12      ILE   5  44.264   6.335  14.483
   44   HG21  ILE   5          HG21      ILE   5  45.460   7.009  11.090
   45   HG22  ILE   5          HG22      ILE   5  45.879   6.979  12.801
   46   HG23  ILE   5          HG23      ILE   5  44.778   8.211  12.186
   47   HD11  ILE   5          HD11      ILE   5  41.932   7.964  13.469
   48   HD12  ILE   5          HD12      ILE   5  43.564   8.605  13.607
   49   HD13  ILE   5          HD13      ILE   5  42.700   8.067  15.045
   50    H    ILE   6           HN       ILE   6  40.598   7.756  11.862
   51    HA   ILE   6           HA       ILE   6  39.240   5.399  13.022
   52    HB   ILE   6           HB       ILE   6  37.359   7.319  13.192
   53   HG12  ILE   6          HG13      ILE   6  39.875   8.984  13.314
   54   HG13  ILE   6          HG12      ILE   6  38.978   8.827  11.811
   55   HG21  ILE   6          HG21      ILE   6  38.491   8.039  15.360
   56   HG22  ILE   6          HG22      ILE   6  39.837   7.000  14.891
   57   HG23  ILE   6          HG23      ILE   6  38.239   6.304  15.160
   58   HD11  ILE   6          HD11      ILE   6  38.366  10.816  13.296
   59   HD12  ILE   6          HD12      ILE   6  37.649   9.637  14.394
   60   HD13  ILE   6          HD13      ILE   6  37.027   9.804  12.752
   61    H    GLY   7           HN       GLY   7  38.456   7.829  10.505
   62    HA2  GLY   7           HA3      GLY   7  36.273   6.390   9.398
   63    HA3  GLY   7           HA2      GLY   7  37.240   7.576   8.513
   64    H    GLY   8           HN       GLY   8  39.370   5.420   9.674
   65    HA2  GLY   8           HA3      GLY   8  39.564   4.008   7.068
   66    HA3  GLY   8           HA2      GLY   8  40.811   4.050   8.320
   67    H    LEU   9           HN       LEU   9  39.022   3.386  10.491
   68    HA   LEU   9           HA       LEU   9  38.242   0.567   9.828
   69    HB2  LEU   9           HB3      LEU   9  39.124  -0.110  12.040
   70    HB3  LEU   9           HB2      LEU   9  40.393   0.537  11.003
   71    HG   LEU   9           HG       LEU   9  39.526   2.839  12.267
   72   HD11  LEU   9          HD11      LEU   9  39.392   2.284  14.691
   73   HD12  LEU   9          HD12      LEU   9  39.344   0.571  14.275
   74   HD13  LEU   9          HD13      LEU   9  38.029   1.635  13.782
   75   HD21  LEU   9          HD21      LEU   9  41.648   0.922  13.290
   76   HD22  LEU   9          HD22      LEU   9  41.561   2.648  13.641
   77   HD23  LEU   9          HD23      LEU   9  41.874   2.098  11.995
   78    H    PHE  10           HN       PHE  10  37.836   3.420  11.843
   79    HA   PHE  10           HA       PHE  10  35.830   2.706  13.600
   80    HB2  PHE  10           HB3      PHE  10  36.935   4.986  13.185
   81    HB3  PHE  10           HB2      PHE  10  35.710   5.231  11.938
   82    HD1  PHE  10           HD1      PHE  10  36.060   4.219  15.528
   83    HD2  PHE  10           HD2      PHE  10  33.627   6.122  12.547
   84    HE1  PHE  10           HE1      PHE  10  34.435   4.885  17.282
   85    HE2  PHE  10           HE2      PHE  10  32.000   6.790  14.299
   86    HZ   PHE  10           HZ       PHE  10  32.404   6.170  16.666
   87    H    SER  11           HN       SER  11  35.603   3.064  10.113
   88    HA   SER  11           HA       SER  11  32.769   3.234   9.869
   89    HB2  SER  11           HB3      SER  11  34.713   1.855   7.989
   90    HB3  SER  11           HB2      SER  11  33.090   2.417   7.581
   91    HG   SER  11           HG       SER  11  33.981   4.535   8.413
   92    H    ALA  12           HN       ALA  12  34.911   0.367   9.878
   93    HA   ALA  12           HA       ALA  12  32.575  -1.425   9.980
   94    HB1  ALA  12           HB1      ALA  12  35.519  -2.081  10.295
   95    HB2  ALA  12           HB2      ALA  12  34.651  -2.096   8.760
   96    HB3  ALA  12           HB3      ALA  12  34.213  -3.236  10.034
   97    H    GLY  13           HN       GLY  13  34.978  -0.027  12.118
   98    HA2  GLY  13           HA3      GLY  13  34.700  -1.660  14.387
   99    HA3  GLY  13           HA2      GLY  13  34.960   0.089  14.470
  100    H    LYS  14           HN       LYS  14  32.648   0.986  13.221
  101    HA   LYS  14           HA       LYS  14  30.738   1.010  15.340
  102    HB2  LYS  14           HB3      LYS  14  30.485   1.599  12.381
  103    HB3  LYS  14           HB2      LYS  14  29.140   1.802  13.506
  104    HG2  LYS  14           HG3      LYS  14  30.288   3.471  14.751
  105    HG3  LYS  14           HG2      LYS  14  31.838   3.068  14.007
  106    HD2  LYS  14           HD3      LYS  14  30.920   5.137  13.039
  107    HD3  LYS  14           HD2      LYS  14  31.002   3.861  11.828
  108    HE2  LYS  14           HE3      LYS  14  28.824   5.218  11.919
  109    HE3  LYS  14           HE2      LYS  14  28.661   3.464  11.933
  110    HZ1  LYS  14           HZ1      LYS  14  28.406   3.501  14.305
  111    HZ2  LYS  14           HZ2      LYS  14  27.282   4.575  13.618
  112    HZ3  LYS  14           HZ3      LYS  14  28.690   5.172  14.360
  113    H    ALA  15           HN       ALA  15  30.805  -0.842  12.308
  114    HA   ALA  15           HA       ALA  15  28.410  -2.328  12.670
  115    HB1  ALA  15           HB1      ALA  15  29.380  -3.934  11.105
  116    HB2  ALA  15           HB2      ALA  15  30.983  -3.247  11.366
  117    HB3  ALA  15           HB3      ALA  15  29.734  -2.292  10.566
  118    H    ILE  16           HN       ILE  16  31.734  -2.919  13.794
  119    HA   ILE  16           HA       ILE  16  30.981  -5.494  14.950
  120    HB   ILE  16           HB       ILE  16  33.435  -3.731  15.039
  121   HG12  ILE  16          HG13      ILE  16  34.487  -5.923  14.323
  122   HG13  ILE  16          HG12      ILE  16  32.862  -6.593  14.227
  123   HG21  ILE  16          HG21      ILE  16  32.818  -6.031  16.908
  124   HG22  ILE  16          HG22      ILE  16  33.357  -4.405  17.330
  125   HG23  ILE  16          HG23      ILE  16  34.469  -5.526  16.546
  126   HD11  ILE  16          HD11      ILE  16  32.233  -4.913  12.567
  127   HD12  ILE  16          HD12      ILE  16  33.680  -5.761  12.027
  128   HD13  ILE  16          HD13      ILE  16  33.813  -4.145  12.716
  129    H    HIS  17           HN       HIS  17  31.087  -2.155  15.891
  130    HA   HIS  17           HA       HIS  17  30.741  -2.656  18.728
  131    HB2  HIS  17           HB3      HIS  17  31.066  -0.404  18.869
  132    HB3  HIS  17           HB2      HIS  17  31.178  -0.364  17.121
  133    HD1  HIS  17           HD1      HIS  17  29.131   0.523  15.809
  134    HD2  HIS  17           HD2      HIS  17  28.494   0.269  19.915
  135    HE1  HIS  17           HE1      HIS  17  26.955   1.724  16.260
  136    HE2  HIS  17           HE2      HIS  17  26.557   1.597  18.766
  137    H    ARG  18           HN       ARG  18  28.805  -3.089  16.035
  138    HA   ARG  18           HA       ARG  18  26.252  -2.698  17.510
  139    HB2  ARG  18           HB3      ARG  18  26.913  -3.337  14.633
  140    HB3  ARG  18           HB2      ARG  18  25.275  -3.466  15.278
  141    HG2  ARG  18           HG3      ARG  18  25.275  -1.139  15.926
  142    HG3  ARG  18           HG2      ARG  18  26.976  -0.974  15.501
  143    HD2  ARG  18           HD3      ARG  18  25.144  -0.160  13.802
  144    HD3  ARG  18           HD2      ARG  18  26.545  -1.042  13.201
  145    HE   ARG  18           HE       ARG  18  24.590  -2.977  13.779
  146   HH11  ARG  18          HH11      ARG  18  23.213  -3.742  12.154
  147   HH12  ARG  18          HH12      ARG  18  22.957  -2.783  10.735
  148   HH21  ARG  18          HH21      ARG  18  25.040  -0.212  11.774
  149   HH22  ARG  18          HH22      ARG  18  23.992  -0.784  10.519
  150    H    LEU  19           HN       LEU  19  28.452  -5.143  16.396
  151    HA   LEU  19           HA       LEU  19  26.712  -7.400  16.676
  152    HB2  LEU  19           HB3      LEU  19  28.700  -7.961  15.582
  153    HB3  LEU  19           HB2      LEU  19  29.675  -6.928  16.616
  154    HG   LEU  19           HG       LEU  19  29.452  -8.576  18.465
  155   HD11  LEU  19          HD11      LEU  19  27.217  -9.490  17.565
  156   HD12  LEU  19          HD12      LEU  19  28.368 -10.688  18.144
  157   HD13  LEU  19          HD13      LEU  19  28.180 -10.410  16.414
  158   HD21  LEU  19          HD21      LEU  19  30.352  -9.946  15.922
  159   HD22  LEU  19          HD22      LEU  19  30.974 -10.184  17.555
  160   HD23  LEU  19          HD23      LEU  19  31.284  -8.669  16.706
  161    H    ILE  20           HN       ILE  20  28.755  -5.578  18.909
  162    HA   ILE  20           HA       ILE  20  28.255  -7.303  21.189
  163    HB   ILE  20           HB       ILE  20  29.955  -6.002  21.998
  164   HG12  ILE  20          HG13      ILE  20  28.009  -3.658  21.934
  165   HG13  ILE  20          HG12      ILE  20  28.129  -4.825  23.249
  166   HG21  ILE  20          HG21      ILE  20  29.246  -4.048  19.827
  167   HG22  ILE  20          HG22      ILE  20  30.392  -5.368  19.674
  168   HG23  ILE  20          HG23      ILE  20  30.737  -4.019  20.752
  169   HD11  ILE  20          HD11      ILE  20  30.219  -2.850  22.314
  170   HD12  ILE  20          HD12      ILE  20  30.579  -4.169  23.429
  171   HD13  ILE  20          HD13      ILE  20  29.426  -2.915  23.888
  172    H    ARG  21           HN       ARG  21  26.841  -4.204  20.146
  173    HA   ARG  21           HA       ARG  21  24.936  -3.966  22.199
  174    HB2  ARG  21           HB3      ARG  21  24.735  -3.167  19.285
  175    HB3  ARG  21           HB2      ARG  21  23.592  -2.657  20.530
  176    HG2  ARG  21           HG3      ARG  21  25.350  -1.543  21.769
  177    HG3  ARG  21           HG2      ARG  21  26.578  -2.176  20.677
  178    HD2  ARG  21           HD3      ARG  21  25.919   0.206  20.213
  179    HD3  ARG  21           HD2      ARG  21  25.712  -0.880  18.842
  180    HE   ARG  21           HE       ARG  21  23.263  -0.792  20.299
  181   HH11  ARG  21          HH11      ARG  21  21.578   0.487  19.499
  182   HH12  ARG  21          HH12      ARG  21  21.931   1.761  18.381
  183   HH21  ARG  21          HH21      ARG  21  25.344   1.149  18.350
  184   HH22  ARG  21          HH22      ARG  21  24.062   2.136  17.730
  185    H    ARG  22           HN       ARG  22  24.809  -5.749  19.159
  186    HA   ARG  22           HA       ARG  22  22.110  -6.714  19.540
  187    HB2  ARG  22           HB3      ARG  22  24.442  -7.675  17.864
  188    HB3  ARG  22           HB2      ARG  22  22.892  -8.520  17.888
  189    HG2  ARG  22           HG3      ARG  22  21.730  -6.580  17.070
  190    HG3  ARG  22           HG2      ARG  22  23.159  -5.567  17.279
  191    HD2  ARG  22           HD3      ARG  22  22.938  -6.160  14.926
  192    HD3  ARG  22           HD2      ARG  22  24.352  -6.970  15.598
  193    HE   ARG  22           HE       ARG  22  22.001  -8.649  15.777
  194   HH11  ARG  22          HH11      ARG  22  21.922 -10.423  14.382
  195   HH12  ARG  22          HH12      ARG  22  22.970 -10.472  13.003
  196   HH21  ARG  22          HH21      ARG  22  24.453  -7.411  13.692
  197   HH22  ARG  22          HH22      ARG  22  24.404  -8.764  12.612
  198    H    ARG  23           HN       ARG  23  25.144  -7.409  20.936
  199    HA   ARG  23           HA       ARG  23  24.282 -10.081  21.929
  200    HB2  ARG  23           HB3      ARG  23  26.652  -9.553  20.993
  201    HB3  ARG  23           HB2      ARG  23  26.921  -8.737  22.530
  202    HG2  ARG  23           HG3      ARG  23  27.652 -10.875  23.090
  203    HG3  ARG  23           HG2      ARG  23  25.954 -11.016  23.537
  204    HD2  ARG  23           HD3      ARG  23  25.444 -12.032  21.360
  205    HD3  ARG  23           HD2      ARG  23  27.124 -11.842  20.861
  206    HE   ARG  23           HE       ARG  23  26.822 -13.372  23.329
  207   HH11  ARG  23          HH11      ARG  23  27.401 -15.553  23.184
  208   HH12  ARG  23          HH12      ARG  23  27.602 -16.279  21.624
  209   HH21  ARG  23          HH21      ARG  23  26.837 -13.379  19.882
  210   HH22  ARG  23          HH22      ARG  23  27.280 -15.049  19.754
  211    H    ARG  24           HN       ARG  24  23.027  -7.550  22.863
  212    HA   ARG  24           HA       ARG  24  24.022  -6.730  25.392
  213    HB2  ARG  24           HB3      ARG  24  22.085  -5.713  24.051
  214    HB3  ARG  24           HB2      ARG  24  21.085  -7.008  24.705
  215    HG2  ARG  24           HG3      ARG  24  20.707  -5.371  26.313
  216    HG3  ARG  24           HG2      ARG  24  22.099  -6.178  27.030
  217    HD2  ARG  24           HD3      ARG  24  22.464  -3.768  27.074
  218    HD3  ARG  24           HD2      ARG  24  23.583  -4.492  25.920
  219    HE   ARG  24           HE       ARG  24  22.459  -3.339  24.191
  220   HH11  ARG  24          HH11      ARG  24  20.858  -1.946  23.413
  221   HH12  ARG  24          HH12      ARG  24  19.519  -1.530  24.431
  222   HH21  ARG  24          HH21      ARG  24  20.616  -3.448  27.105
  223   HH22  ARG  24          HH22      ARG  24  19.383  -2.380  26.521
  224    H    ARG  25           HN       ARG  25  24.801  -8.805  26.258
  225    HA   ARG  25           HA       ARG  25  23.144 -11.035  26.819
  226    HB2  ARG  25           HB3      ARG  25  25.558  -9.995  28.334
  227    HB3  ARG  25           HB2      ARG  25  24.848 -11.596  28.550
  228    HG2  ARG  25           HG3      ARG  25  25.181 -11.948  26.049
  229    HG3  ARG  25           HG2      ARG  25  26.151 -10.477  26.060
  230    HD2  ARG  25           HD3      ARG  25  27.456 -11.623  28.005
  231    HD3  ARG  25           HD2      ARG  25  26.711 -13.109  27.413
  232    HE   ARG  25           HE       ARG  25  28.190 -13.030  25.584
  233   HH11  ARG  25          HH11      ARG  25  29.753 -12.038  24.284
  234   HH12  ARG  25          HH12      ARG  25  30.113 -10.359  24.514
  235   HH21  ARG  25          HH21      ARG  25  27.827  -9.951  27.091
  236   HH22  ARG  25          HH22      ARG  25  29.024  -9.178  26.105