*HEADER    LIPID BINDING PROTEIN                   29-JAN-01   1I0U              
*TITLE     SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF A CONCATEMER OF           
*TITLE    2 EGF-HOMOLOGY MODULES OF THE HUMAN LOW DENSITY LIPOPROTEIN            
*TITLE    3 RECEPTOR                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LOW DENSITY LIPOPROTEIN RECEPTOR;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: EGF-AB CONCATEMER(RESIDUES 314-395);                       
*COMPND   5 SYNONYM: LDL RECEPTOR;                                               
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 TISSUE: LIVER;                                                       
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: DH5-ALPHA; BL21-DE3;                       
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PGEX-4T; PET-30A+                         
*KEYWDS    ANTI-PARALLEL BETA STRANDS, CALCIUM BINDING SITES                     
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    N.D.KURNIAWAN, K.ALIABADIZADEH, I.M.BRERETON, P.A.KROON,              
*AUTHOR   2 R.SMITH                                                              
*REVDAT   1   15-AUG-01 1I0U    0                                                

!    Residue  intra short med long
!    Total     354  289   96   89

assign  ( resid 2 and name HN ) ( resid 2 and name HA ) 0 0 2.7 ! 
assign  ( resid 2 and name HN ) ( resid 2 and name HB ) 0 0 2.7 ! 
assign  ( resid 2 and name HA ) ( resid 2 and name HG2* ) 0 0 3.7 ! 
assign  ( resid 2 and name HA ) ( resid 3 and name HN ) 0 0 2.7 ! 
assign  ( resid 2 and name HB ) ( resid 3 and name HN ) 0 0 3.5 ! 
assign  ( resid 2 and name HG2* ) ( resid 3 and name HN ) 0 0 6 ! 
assign  ( resid 2 and name HG2* ) ( resid 3 and name HA ) 0 0 6 ! 
assign  ( resid 2 and name HG2* ) ( resid 3 and name HB* ) 0 0 6.3 ! 
assign  ( resid 2 and name HG2* ) ( resid 4 and name HN ) 0 0 3.7
assign  ( resid 2 and name HG2* ) ( resid 23 and name HD* ) 0 0 6.5

                   
assign  ( resid 3 and name HN ) ( resid 3 and name HA ) 0 0 3.5
assign  ( resid 3 and name HN ) ( resid 3 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 3 and name HN ) ( resid 3 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 3 and name HN ) ( resid 4 and name HN ) 0 0 5.00
assign  ( resid 3 and name HN ) ( resid 6 and name HG ) 0 0 5 ! 
assign  ( resid 3 and name HA ) ( resid 3 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 3 and name HA ) ( resid 4 and name HN ) 0 0 2.7 ! 
assign  ( resid 3 and name HA ) ( resid 5 and name HN ) 0 0 3.5 ! 
assign  ( resid 3 and name HB2 ) ( resid 6 and name HD1* ) 0 0 6 ! 
assign  ( resid 3 and name HB1 ) ( resid 6 and name HD1* ) 0 0 6 ! 
                   
assign  ( resid 4 and name HN ) ( resid 4 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 4 and name HN ) ( resid 4 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 4 and name HN ) ( resid 4 and name HG2 ) 0 0 5 ! 
assign  ( resid 4 and name HN ) ( resid 4 and name HG1 ) 0 0 5 ! 
assign  ( resid 4 and name HN ) ( resid 5 and name HN ) 0 0 2.7 ! 
assign  ( resid 4 and name HA ) ( resid 4 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 4 and name HA ) ( resid 4 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 4 and name HA ) ( resid 5 and name HN ) 0 0 3.5 ! 
assign  ( resid 4 and name HB* ) ( resid 23 and name HD* ) 0 0 5.8 ! 
                   
assign  ( resid 5 and name HN ) ( resid 5 and name HA ) 0 0 2.7 ! 
assign  ( resid 5 and name HN ) ( resid 5 and name HB2 ) 0 0 3.50
assign  ( resid 5 and name HN ) ( resid 5 and name HB1 ) 0 0 3.50
assign  ( resid 5 and name HN ) ( resid 6 and name HN ) 0 0 2.7 ! 
assign  ( resid 5 and name HN ) ( resid 6 and name HB* ) 0 0 5.3 ! 
assign  ( resid 5 and name HN ) ( resid 6 and name HG ) 0 0 3.5 ! 
assign  ( resid 5 and name HN ) ( resid 6 and name HD2* ) 0 0 6 ! 
assign  ( resid 5 and name HN ) ( resid 7 and name HN ) 0 0 5 ! 
assign  ( resid 5 and name HA ) ( resid 5 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 5 and name HA ) ( resid 5 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 5 and name HA ) ( resid 9 and name HA ) 0 0 5 ! 
assign  ( resid 5 and name HA ) ( resid 10 and name HN ) 0 0 3.5 ! 
assign  ( resid 5 and name HB2 ) ( resid 6 and name HN ) 0 0 3.5 ! 
assign  ( resid 5 and name HB1 ) ( resid 6 and name HN ) 0 0 3.5 ! 
assign  ( resid 5 and name HB* ) ( resid 6 and name HD1* ) 0 0 7 ! 
assign  ( resid 5 and name HB* ) ( resid 6 and name HD2* ) 0 0 7 ! 
assign  ( resid 5 and name HB* ) ( resid 10 and name HN ) 0 0 6 ! 
assign  ( resid 5 and name HB* ) ( resid 16 and name HB* ) 0 0 5.5 ! 
                   
assign  ( resid 6 and name HN ) ( resid 6 and name HA ) 0 0 2.7 ! 
assign  ( resid 6 and name HN ) ( resid 6 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 6 and name HN ) ( resid 6 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 6 and name HN ) ( resid 6 and name HD1* ) 0 0 4.5 ! 
assign  ( resid 6 and name HN ) ( resid 6 and name HD2* ) 0 0 4.5 ! 
assign  ( resid 6 and name HA ) ( resid 6 and name HG ) 0 0 5 ! 
assign  ( resid 6 and name HA ) ( resid 6 and name HD1* ) 0 0 4.5 ! 
assign  ( resid 6 and name HA ) ( resid 6 and name HD2* ) 0 0 3.7 ! 
assign  ( resid 6 and name HA ) ( resid 7 and name HN ) 0 0 3.5 ! 
assign  ( resid 6 and name HB2 ) ( resid 7 and name HN ) 0 0 3.5 ! 
assign  ( resid 6 and name HB1 ) ( resid 7 and name HN ) 0 0 3.5 !
                   
assign  ( resid 7 and name HN ) ( resid 7 and name HA ) 0 0 3.5 ! 
assign  ( resid 7 and name HN ) ( resid 7 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 7 and name HN ) ( resid 7 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 7 and name HN ) ( resid 8 and name HN ) 0 0 5 ! 
assign  ( resid 7 and name HN ) ( resid 10 and name HN ) 0 0 5 ! 
assign  ( resid 7 and name HA ) ( resid 7 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 7 and name HA ) ( resid 7 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 7 and name HA ) ( resid 8 and name HN ) 0 0 2.7 ! 
assign  ( resid 7 and name HB1 ) ( resid 8 and name HN ) 0 0 2.7 !
assign  ( resid 7 and name HB1 ) ( resid 10 and name HN ) 0 0 5 ! 
                   
assign  ( resid 8 and name HN ) ( resid 8 and name HA ) 0 0 2.7 ! 
assign  ( resid 8 and name HN ) ( resid 8 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 8 and name HN ) ( resid 8 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 8 and name HN ) ( resid 8 and name HD2* ) 0 0 5.3 ! 
assign  ( resid 8 and name HN ) ( resid 9 and name HN ) 0 0 5 ! 
assign  ( resid 8 and name HA ) ( resid 8 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 8 and name HA ) ( resid 8 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 8 and name HA ) ( resid 9 and name HN ) 0 0 3.5 ! 
assign  ( resid 8 and name HB2 ) ( resid 9 and name HN ) 0 0 5 ! 
assign  ( resid 8 and name HB2 ) ( resid 11 and name HN ) 0 0 5 ! 
assign  ( resid 8 and name HB1 ) ( resid 9 and name HN ) 0 0 5 ! 
assign  ( resid 8 and name HB1 ) ( resid 11 and name HN ) 0 0 5 ! 
                   
assign  ( resid 9 and name HN ) ( resid 9 and name HA ) 0 0 2.7 ! 
assign  ( resid 9 and name HN ) ( resid 9 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 9 and name HN ) ( resid 9 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 9 and name HN ) ( resid 10 and name HN ) 0 0 5 ! 
assign  ( resid 9 and name HN ) ( resid 13 and name HB* ) 0 0 3.8 ! 
assign  ( resid 9 and name HA ) ( resid 9 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 9 and name HA ) ( resid 9 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 9 and name HA ) ( resid 10 and name HN ) 0 0 3.5 ! 
assign  ( resid 9 and name HB* ) ( resid 10 and name HN ) 0 0 5.3 ! 
assign  ( resid 9 and name HB2 ) ( resid 12 and name HN ) 0 0 5 ! 
assign  ( resid 9 and name HB1 ) ( resid 12 and name HN ) 0 0 5.00
assign  ( resid 9 and name HD2* ) ( resid 12 and name HN ) 0 0 5.3 ! 
assign  ( resid 9 and name HD2* ) ( resid 12 and name HB* ) 0 0 6.3 ! 
                   
assign  ( resid 10 and name HN ) ( resid 10 and name HA2 ) 0 0 2.7 ! 
assign  ( resid 10 and name HN ) ( resid 10 and name HA1 ) 0 0 2.7 ! 
assign  ( resid 10 and name HN ) ( resid 11 and name HN ) 0 0 2.7 ! 
assign  ( resid 10 and name HN ) ( resid 12 and name HN ) 0 0 5 ! 
assign  ( resid 10 and name HA2 ) ( resid 11 and name HN ) 0 0 5 !
assign  ( resid 10 and name HA2 ) ( resid 12 and name HN ) 0 0 5 !
assign  ( resid 10 and name HA2 ) ( resid 23 and name HD* ) 0 0 5.5 !
assign  ( resid 10 and name HA1 ) ( resid 11 and name HN ) 0 0 5 !
assign  ( resid 10 and name HA1 ) ( resid 12 and name HN ) 0 0 5 !
assign  ( resid 10 and name HA1 ) ( resid 23 and name HD* ) 0 0 5.5 !
assign  ( resid 10 and name HA* ) ( resid 12 and name HN ) 0 0 4.5 !
                  
assign  ( resid 11 and name HN ) ( resid 11 and name HA2 ) 0 0 2.7 !
assign  ( resid 11 and name HN ) ( resid 11 and name HA1 ) 0 0 3.5 !
assign  ( resid 11 and name HN ) ( resid 12 and name HN ) 0 0 2.7 !
assign  ( resid 11 and name HN ) ( resid 12 and name HB1 ) 0 0 5 !
assign  ( resid 11 and name HA2 ) ( resid 12 and name HN ) 0 0 3.5 !
assign  ( resid 11 and name HA1 ) ( resid 12 and name HN ) 0 0 3.5 !
                  
assign  ( resid 12 and name HN ) ( resid 12 and name HB2 ) 0 0 3.5 
assign  ( resid 12 and name HN ) ( resid 12 and name HB1 ) 0 0 3.5 
assign  ( resid 12 and name HN ) ( resid 13 and name HN ) 0 0 5.0
assign  ( resid 12 and name HA ) ( resid 13 and name HN ) 0 0 3.5 ! 
assign  ( resid 12 and name HB2 ) ( resid 13 and name HN ) 0 0 5 ! 
assign  ( resid 12 and name HB1 ) ( resid 13 and name HN ) 0 0 5 ! 
assign  ( resid 12 and name HB2 ) ( resid 14 and name HN ) 0 0 3.5 ! 
                   
assign  ( resid 13 and name HN ) ( resid 14 and name HN ) 0 0 3.5 !
assign  ( resid 13 and name HA ) ( resid 14 and name HN ) 0 0 2.7 ! 
                   
assign  ( resid 14 and name HN ) ( resid 14 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 14 and name HN ) ( resid 14 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 14 and name HN ) ( resid 15 and name HN ) 0 0 3.5 !
assign  ( resid 14 and name HA ) ( resid 14 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 14 and name HA ) ( resid 14 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 14 and name HA ) ( resid 14 and name HD1 ) 0 0 5 ! 
assign  ( resid 14 and name HA ) ( resid 15 and name HN ) 0 0 3.5 !
assign  ( resid 14 and name HB2 ) ( resid 14 and name HD1 ) 0 0 3.5 !
assign  ( resid 14 and name HB2 ) ( resid 15 and name HN ) 0 0 2.7 !
assign  ( resid 14 and name HB2 ) ( resid 15 and name HG** ) 0 0 7.4 !
assign  ( resid 14 and name HB1 ) ( resid 14 and name HD1 ) 0 0 3.5 !
assign  ( resid 14 and name HB1 ) ( resid 15 and name HN ) 0 0 2.7 !
assign  ( resid 14 and name HB1 ) ( resid 15 and name HG** ) 0 0 7.4 !
assign  ( resid 14 and name HB* ) ( resid 27 and name HA ) 0 0 5.3 !
assign  ( resid 14 and name HE2 ) ( resid 28 and name HG* ) 0 0 4.5 !
                  
assign  ( resid 15 and name HN ) ( resid 15 and name HB ) 0 0 2.7 !
assign  ( resid 15 and name HN ) ( resid 15 and name HG** ) 0 0 5.1 !
assign  ( resid 15 and name HN ) ( resid 26 and name HB* ) 0 0 5.3 !
assign  ( resid 15 and name HN ) ( resid 27 and name HA ) 0 0 5 !
assign  ( resid 15 and name HA ) ( resid 16 and name HN ) 0 0 2.7 !
assign  ( resid 15 and name HG** ) ( resid 16 and name HN ) 0 0 5.1 ! 
assign  ( resid 15 and name HG** ) ( resid 17 and name HB2 ) 0 0 5.1 ! 
assign  ( resid 15 and name HG** ) ( resid 17 and name HB1 ) 0 0 5.1 ! 
assign  ( resid 15 and name HG** ) ( resid 26 and name HA ) 0 0 5.9 ! 
                   
assign  ( resid 16 and name HN ) ( resid 16 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 16 and name HN ) ( resid 16 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 16 and name HA ) ( resid 17 and name HN ) 0 0 2.7 ! 
assign  ( resid 16 and name HA ) ( resid 25 and name HA ) 0 0 5 ! 
assign  ( resid 16 and name HA ) ( resid 26 and name HN ) 0 0 5 ! 
assign  ( resid 16 and name HB1 ) ( resid 17 and name HN ) 0 0 5 ! 
                   
assign  ( resid 17 and name HN ) ( resid 17 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 17 and name HN ) ( resid 17 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 17 and name HN ) ( resid 23 and name HD* ) 0 0 7 ! 
assign  ( resid 17 and name HN ) ( resid 24 and name HN ) 0 0 3.5 ! 
assign  ( resid 17 and name HN ) ( resid 24 and name HG* ) 0 0 5.3 ! 
assign  ( resid 17 and name HN ) ( resid 25 and name HA ) 0 0 5 ! 
assign  ( resid 17 and name HN ) ( resid 26 and name HN ) 0 0 5 ! 
assign  ( resid 17 and name HN ) ( resid 26 and name HD1* ) 0 0 6 ! 
assign  ( resid 17 and name HA ) ( resid 17 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 17 and name HA ) ( resid 18 and name HN ) 0 0 2.7 ! 
assign  ( resid 17 and name HA ) ( resid 18 and name HB2 ) 0 0 5 ! 
assign  ( resid 17 and name HA ) ( resid 18 and name HB1 ) 0 0 5 ! 
assign  ( resid 17 and name HB2 ) ( resid 18 and name HN ) 0 0 5 ! 
assign  ( resid 17 and name HB1 ) ( resid 24 and name HA ) 0 0 5 ! 
assign  ( resid 17 and name HD21 ) ( resid 24 and name HN ) 0 0 5 ! 
assign  ( resid 17 and name HD21 ) ( resid 26 and name HD1* ) 0 0 3.7 ! 
assign  ( resid 17 and name HD22 ) ( resid 24 and name HN ) 0 0 5 ! 
assign  ( resid 17 and name HD22 ) ( resid 26 and name HD1* ) 0 0 3.7 ! 
                   
assign  ( resid 18 and name HN ) ( resid 18 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 18 and name HN ) ( resid 18 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 18 and name HN ) ( resid 19 and name HN ) 0 0 5 ! 
assign  ( resid 18 and name HN ) ( resid 26 and name HD** ) 0 0 7.4 ! 
assign  ( resid 18 and name HA ) ( resid 18 and name HB* ) 0 0 3.7 ! 
assign  ( resid 18 and name HA ) ( resid 19 and name HN ) 0 0 2.7 ! 
assign  ( resid 18 and name HA ) ( resid 19 and name HB* ) 0 0 5.3 ! 
assign  ( resid 18 and name HA ) ( resid 23 and name HB2 ) 0 0 5 ! 
assign  ( resid 18 and name HA ) ( resid 23 and name HB1 ) 0 0 5 ! 
assign  ( resid 18 and name HA ) ( resid 23 and name HD* ) 0 0 5.5 ! 
                   
assign  ( resid 19 and name HN ) ( resid 19 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 19 and name HN ) ( resid 19 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 19 and name HN ) ( resid 19 and name HD1* ) 0 0 4.5 ! 
assign  ( resid 19 and name HN ) ( resid 19 and name HD2* ) 0 0 6 ! 
assign  ( resid 19 and name HN ) ( resid 20 and name HN ) 0 0 5 ! 
assign  ( resid 19 and name HN ) ( resid 23 and name HA ) 0 0 2.7 ! 
assign  ( resid 19 and name HN ) ( resid 23 and name HB2 ) 0 0 5 ! 
assign  ( resid 19 and name HN ) ( resid 23 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 19 and name HN ) ( resid 23 and name HD* ) 0 0 7 ! 
assign  ( resid 19 and name HN ) ( resid 24 and name HN ) 0 0 3.5 ! 
assign  ( resid 19 and name HA ) ( resid 19 and name HB* ) 0 0 5.3 ! 
assign  ( resid 19 and name HA ) ( resid 19 and name HD1* ) 0 0 6 ! 
assign  ( resid 19 and name HA ) ( resid 19 and name HD2* ) 0 0 6 ! 
assign  ( resid 19 and name HA ) ( resid 20 and name HN ) 0 0 2.7 ! 
assign  ( resid 19 and name HA ) ( resid 21 and name HN ) 0 0 5 ! 
assign  ( resid 19 and name HB2 ) ( resid 23 and name HA ) 0 0 3.5 ! 
assign  ( resid 19 and name HB2 ) ( resid 23 and name HD* ) 0 0 4.7 ! 
assign  ( resid 19 and name HB2 ) ( resid 23 and name HE* ) 0 0 7 ! 
assign  ( resid 19 and name HB2 ) ( resid 24 and name HN ) 0 0 5 !
assign  ( resid 19 and name HB1 ) ( resid 23 and name HA ) 0 0 2.5 ! 
assign  ( resid 19 and name HB1 ) ( resid 23 and name HD* ) 0 0 4.7 ! 
assign  ( resid 19 and name HB1 ) ( resid 23 and name HE* ) 0 0 7 ! 
assign  ( resid 19 and name HB* ) ( resid 20 and name HN ) 0 0 3.8 ! 
assign  ( resid 19 and name HB* ) ( resid 23 and name HN ) 0 0 5.3 ! 
assign  ( resid 19 and name HD1* ) ( resid 24 and name HN ) 0 0 6 ! 
assign  ( resid 19 and name HD2* ) ( resid 23 and name HN ) 0 0 4.5 ! 
assign  ( resid 19 and name HD2* ) ( resid 24 and name HN ) 0 0 6 ! 
assign  ( resid 19 and name HD** ) ( resid 20 and name HN ) 0 0 5.9 ! 
assign  ( resid 19 and name HD** ) ( resid 21 and name HN ) 0 0 5.9 ! 
assign  ( resid 19 and name HD** ) ( resid 23 and name HA ) 0 0 5.9 ! 
                   
assign  ( resid 20 and name HN ) ( resid 20 and name HA ) 0 0 3.5 ! 
assign  ( resid 20 and name HN ) ( resid 20 and name HB* ) 0 0 3 ! 
assign  ( resid 20 and name HN ) ( resid 20 and name HG2 ) 0 0 3.5 ! 
assign  ( resid 20 and name HN ) ( resid 20 and name HG1 ) 0 0 3.5 ! 
assign  ( resid 20 and name HN ) ( resid 21 and name HN ) 0 0 2.7 ! 
assign  ( resid 20 and name HA ) ( resid 20 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 20 and name HA ) ( resid 20 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 20 and name HA ) ( resid 20 and name HG2 ) 0 0 5 ! 
assign  ( resid 20 and name HA ) ( resid 20 and name HG1 ) 0 0 5 ! 
assign  ( resid 20 and name HA ) ( resid 20 and name HD* ) 0 0 5.3 ! 
assign  ( resid 20 and name HA ) ( resid 21 and name HN ) 0 0 5 ! 
assign  ( resid 20 and name HG* ) ( resid 21 and name HN ) 0 0 3 ! 
                   
assign  ( resid 21 and name HN ) ( resid 21 and name HA ) 0 0 3.5 ! 
assign  ( resid 21 and name HN ) ( resid 21 and name HB ) 0 0 2.7 ! 
assign  ( resid 21 and name HN ) ( resid 21 and name HG2* ) 0 0 4.5 ! 
assign  ( resid 21 and name HN ) ( resid 21 and name HG12 ) 0 0 5.00!
assign  ( resid 21 and name HN ) ( resid 21 and name HG11 ) 0 0 3.5 ! 
assign  ( resid 21 and name HA ) ( resid 22 and name HN ) 0 0 2.7 ! 
assign  ( resid 21 and name HA ) ( resid 23 and name HD* ) 0 0 5.5 ! 
assign  ( resid 21 and name HA ) ( resid 23 and name HE* ) 0 0 4.7 ! 
assign  ( resid 21 and name HG2* ) ( resid 22 and name HN ) 0 0 4.5 ! 
                   
assign  ( resid 22 and name HN ) ( resid 22 and name HA2 ) 0 0 2.7 ! 
assign  ( resid 22 and name HN ) ( resid 22 and name HA1 ) 0 0 2.7 ! 
assign  ( resid 22 and name HN ) ( resid 23 and name HN ) 0 0 3.5 ! 
assign  ( resid 22 and name HN ) ( resid 23 and name HN ) 0 0 3.5 ! 
assign  ( resid 22 and name HA2 ) ( resid 23 and name HN ) 0 0 3.5 ! 
assign  ( resid 22 and name HA2 ) ( resid 23 and name HD* ) 0 0 7 ! 
assign  ( resid 22 and name HA1 ) ( resid 23 and name HN ) 0 0 3.5 ! 
assign  ( resid 22 and name HA1 ) ( resid 23 and name HD* ) 0 0 7 ! 
                   
assign  ( resid 23 and name HN ) ( resid 23 and name HA ) 0 0 3.5 ! 
assign  ( resid 23 and name HN ) ( resid 23 and name HD* ) 0 0 5.5 ! 
assign  ( resid 23 and name HA ) ( resid 23 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 23 and name HA ) ( resid 23 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 23 and name HA ) ( resid 23 and name HD* ) 0 0 7 ! 
assign  ( resid 23 and name HA ) ( resid 24 and name HN ) 0 0 2.7 ! 
assign  ( resid 23 and name HB2 ) ( resid 23 and name HD* ) 0 0 3.7 ! 
assign  ( resid 23 and name HB2 ) ( resid 24 and name HN ) 0 0 3.5 ! 
assign  ( resid 23 and name HB1 ) ( resid 23 and name HD* ) 0 0 3.7 ! 
assign  ( resid 23 and name HB1 ) ( resid 24 and name HN ) 0 0 3.5 ! 
assign  ( resid 23 and name HB* ) ( resid 24 and name HN ) 0 0 3.02 ! 
assign  ( resid 23 and name HD* ) ( resid 24 and name HN ) 0 0 4.7 ! 
                   
assign  ( resid 24 and name HN ) ( resid 24 and name HA ) 0 0 3.5 ! 
assign  ( resid 24 and name HN ) ( resid 24 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 24 and name HN ) ( resid 24 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 24 and name HN ) ( resid 24 and name HG* ) 0 0 5.3 ! 
assign  ( resid 24 and name HN ) ( resid 25 and name HN ) 0 0 5 ! 
assign  ( resid 24 and name HA ) ( resid 24 and name HB* ) 0 0 4.5 ! 
assign  ( resid 24 and name HA ) ( resid 25 and name HN ) 0 0 2.7 ! 
assign  ( resid 24 and name HB2 ) ( resid 25 and name HN ) 0 0 3.5 ! 
assign  ( resid 24 and name HB1 ) ( resid 25 and name HN ) 0 0 3.5 ! 
assign  ( resid 24 and name HG* ) ( resid 25 and name HN ) 0 0 6 ! 
                   
assign  ( resid 25 and name HN ) ( resid 25 and name HA ) 0 0 2.7 ! 
assign  ( resid 25 and name HN ) ( resid 25 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 25 and name HN ) ( resid 25 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 25 and name HA ) ( resid 26 and name HN ) 0 0 2.7 ! 
assign  ( resid 25 and name HB2 ) ( resid 26 and name HN ) 0 0 5 ! 
assign  ( resid 25 and name HB1 ) ( resid 26 and name HN ) 0 0 5 ! 
assign  ( resid 25 and name HB1 ) ( resid 33 and name HD** ) 0 0 5.1 ! 
                   
assign  ( resid 26 and name HN ) ( resid 26 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 26 and name HN ) ( resid 26 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 26 and name HN ) ( resid 26 and name HG ) 0 0 5 ! 
assign  ( resid 26 and name HN ) ( resid 26 and name HD** ) 0 0 5.9 ! 
assign  ( resid 26 and name HN ) ( resid 27 and name HN ) 0 0 5 ! 
assign  ( resid 26 and name HA ) ( resid 27 and name HN ) 0 0 2.7 ! 
assign  ( resid 26 and name HB2 ) ( resid 27 and name HN ) 0 0 2.7 ! 
assign  ( resid 26 and name HB1 ) ( resid 27 and name HN ) 0 0 2.7 ! 
assign  ( resid 26 and name HG ) ( resid 27 and name HN ) 0 0 5 !
assign  ( resid 26 and name HD** ) ( resid 27 and name HN ) 0 0 5.1 ! 
                   
assign  ( resid 27 and name HN ) ( resid 27 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 27 and name HN ) ( resid 27 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 27 and name HN ) ( resid 33 and name HD1* ) 0 0 4.5 ! 
assign  ( resid 27 and name HA ) ( resid 27 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 27 and name HA ) ( resid 28 and name HD2 ) 0 0 3.5 ! 
assign  ( resid 27 and name HA ) ( resid 28 and name HD1 ) 0 0 3.5 ! 
                   
assign  ( resid 28 and name HA ) ( resid 29 and name HN ) 0 0 3.5 !
assign  ( resid 28 and name HB2 ) ( resid 29 and name HN ) 0 0 3.5!2.7 ! 
assign  ( resid 28 and name HB1 ) ( resid 29 and name HN ) 0 0 3.5!2.7 ! 
                   
assign  ( resid 29 and name HN ) ( resid 29 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 29 and name HN ) ( resid 29 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 29 and name HN ) ( resid 30 and name HN ) 0 0 5
assign  ( resid 29 and name HA ) ( resid 30 and name HN ) 0 0 3.5!2.7 ! 
assign  ( resid 29 and name HA ) ( resid 31 and name HN ) 0 0 5 ! 3.5
assign  ( resid 29 and name HB2 ) ( resid 30 and name HN ) 0 0 3.5 ! 
assign  ( resid 29 and name HB1 ) ( resid 30 and name HN ) 0 0 3.5 ! 
assign  ( resid 29 and name HB* ) ( resid 31 and name HN ) 0 0 5.3
                   
assign  ( resid 30 and name HN ) ( resid 30 and name HA2 ) 0 0 2.7 ! 
assign  ( resid 30 and name HN ) ( resid 30 and name HA1 ) 0 0 2.7 ! 
assign  ( resid 30 and name HN ) ( resid 31 and name HN ) 0 0 3.5 ! 
assign  ( resid 30 and name HA2 ) ( resid 31 and name HN ) 0 0 3.5 
assign  ( resid 30 and name HA1 ) ( resid 31 and name HN ) 0 0 3.5 
                   
assign  ( resid 31 and name HN ) ( resid 31 and name HA ) 0 0 5 ! 
assign  ( resid 31 and name HN ) ( resid 31 and name HD* ) 0 0 4.7 ! 
assign  ( resid 31 and name HN ) ( resid 31 and name HB2 ) 0 0 3.5 !
assign  ( resid 31 and name HN ) ( resid 31 and name HB1 ) 0 0 3.5 !
assign  ( resid 31 and name HN ) ( resid 32 and name HN ) 0 0 5
assign  ( resid 31 and name HN ) ( resid 59 and name HG* ) 0 0 5.3
assign  ( resid 31 and name HA ) ( resid 31 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 31 and name HA ) ( resid 31 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 31 and name HA ) ( resid 31 and name HD* ) 0 0 5.5 ! 
assign  ( resid 31 and name HA ) ( resid 32 and name HN ) 0 0 2.7 ! 
assign  ( resid 31 and name HA ) ( resid 41 and name HA ) 0 0 3.5
assign  ( resid 31 and name HA ) ( resid 42 and name HN ) 0 0 5
assign  ( resid 31 and name HB2 ) ( resid 31 and name HD* ) 0 0 5.5 ! 
assign  ( resid 31 and name HB2 ) ( resid 31 and name HE* ) 0 0 5.5 ! 
assign  ( resid 31 and name HB2 ) ( resid 32 and name HN ) 0 0 3.5 ! 
assign  ( resid 31 and name HB1 ) ( resid 31 and name HD* ) 0 0 5.5 ! 
assign  ( resid 31 and name HB1 ) ( resid 31 and name HE* ) 0 0 5.5 ! 
assign  ( resid 31 and name HB1 ) ( resid 32 and name HN ) 0 0 3.5 ! 
assign  ( resid 31 and name HD* ) ( resid 32 and name HN ) 0 0 5.5 ! 
assign  ( resid 31 and name HD* ) ( resid 39 and name HA ) 0 0 7
assign  ( resid 31 and name HD* ) ( resid 40 and name HA ) 0 0 5.5
assign  ( resid 31 and name HD* ) ( resid 40 and name HG* ) 0 0 5.1
assign  ( resid 31 and name HD* ) ( resid 59 and name HA ) 0 0 7
assign  ( resid 31 and name HD* ) ( resid 59 and name HG* ) 0 0 6
assign  ( resid 31 and name HD* ) ( resid 60 and name HN ) 0 0 7
assign  ( resid 31 and name HE* ) ( resid 32 and name HN ) 0 0 7 ! 
assign  ( resid 31 and name HE* ) ( resid 40 and name HA ) 0 0 7
assign  ( resid 31 and name HE* ) ( resid 41 and name HN ) 0 0 7
assign  ( resid 31 and name HE* ) ( resid 59 and name HA ) 0 0 7
assign  ( resid 31 and name HE* ) ( resid 59 and name HB* ) 0 0 7.3
assign  ( resid 31 and name HE* ) ( resid 59 and name HG* ) 0 0 5
assign  ( resid 31 and name HE* ) ( resid 60 and name HN ) 0 0 5.5
assign  ( resid 31 and name HE* ) ( resid 60 and name HA* ) 0 0 5.8
assign  ( resid 31 and name HE* ) ( resid 61 and name HN ) 0 0 7
assign  ( resid 31 and name HZ ) ( resid 59 and name HA ) 0 0 5
assign  ( resid 31 and name HZ ) ( resid 59 and name HB1 ) 0 0 5
assign  ( resid 31 and name HZ ) ( resid 59 and name HB2 ) 0 0 5
assign  ( resid 31 and name HZ ) ( resid 59 and name HG* ) 0 0 3.8
assign  ( resid 31 and name HZ ) ( resid 60 and name HN ) 0 0 3.5
assign  ( resid 31 and name HZ ) ( resid 60 and name HA* ) 0 0 5.3
                  
assign  ( resid 32 and name HN ) ( resid 32 and name HA ) 0 0 3.5
assign  ( resid 32 and name HN ) ( resid 32 and name HB2 ) 0 0 3.5 !
assign  ( resid 32 and name HN ) ( resid 32 and name HB1 ) 0 0 3.5 !
assign  ( resid 32 and name HN ) ( resid 32 and name HG1 ) 0 0 5
assign  ( resid 32 and name HN ) ( resid 32 and name HG2 ) 0 0 5
assign  ( resid 32 and name HN ) ( resid 39 and name HA ) 0 0 5
assign  ( resid 32 and name HA ) ( resid 33 and name HN ) 0 0 2.7 !
assign  ( resid 32 and name HB* ) ( resid 33 and name HN ) 0 0 3.8 !
                  
assign  ( resid 33 and name HN ) ( resid 33 and name HA ) 0 0 3.5 !
assign  ( resid 33 and name HN ) ( resid 33 and name HB2 ) 0 0 2.7 !
assign  ( resid 33 and name HN ) ( resid 33 and name HB1 ) 0 0 2.7 !
assign  ( resid 33 and name HN ) ( resid 33 and name HG ) 0 0 5 !
assign  ( resid 33 and name HN ) ( resid 33 and name HD1* ) 0 0 6 !
assign  ( resid 33 and name HN ) ( resid 33 and name HD2* ) 0 0 6 !
assign  ( resid 33 and name HA ) ( resid 33 and name HG ) 0 0 3.5 !
assign  ( resid 33 and name HA ) ( resid 33 and name HD** ) 0 0 5.1 !
assign  ( resid 33 and name HA ) ( resid 34 and name HN ) 0 0 3.5 ! 
assign  ( resid 33 and name HA ) ( resid 40 and name HN ) 0 0 5 ! 
assign  ( resid 33 and name HA ) ( resid 39 and name HN ) 0 0 5
assign  ( resid 33 and name HG ) ( resid 34 and name HN ) 0 0 5 ! 
assign  ( resid 33 and name HG ) ( resid 36 and name HN ) 0 0 5 ! 
assign  ( resid 33 and name HG ) ( resid 38 and name HN ) 0 0 5 
assign  ( resid 33 and name HD1* ) ( resid 34 and name HN ) 0 0 6 ! 
assign  ( resid 33 and name HD1* ) ( resid 37 and name HN ) 0 0 6 ! 
assign  ( resid 33 and name HD1* ) ( resid 37 and name HA ) 0 0 6 ! 
assign  ( resid 33 and name HD1* ) ( resid 38 and name HN ) 0 0 6 ! 
assign  ( resid 33 and name HD1* ) ( resid 39 and name HA ) 0 0 6 ! 
assign  ( resid 33 and name HD2* ) ( resid 36 and name HN ) 0 0 6 ! 
assign  ( resid 33 and name HD2* ) ( resid 37 and name HN ) 0 0 6 ! 
assign  ( resid 33 and name HD2* ) ( resid 38 and name HN ) 0 0 6 !
assign  ( resid 33 and name HD** ) ( resid 37 and name HB* ) 0 0 5.8 ! 
                   
assign  ( resid 34 and name HN ) ( resid 34 and name HB ) 0 0 3.5 ! 
assign  ( resid 34 and name HN ) ( resid 34 and name HG** ) 0 0 5.9 !
assign  ( resid 34 and name HA ) ( resid 34 and name HG1* ) 0 0 3.7 ! 
assign  ( resid 34 and name HA ) ( resid 34 and name HG2* ) 0 0 3.7 ! 
assign  ( resid 34 and name HA ) ( resid 35 and name HN ) 0 0 3.5!
assign  ( resid 34 and name HA ) ( resid 36 and name HN ) 0 0 5 ! 
assign  ( resid 34 and name HB ) ( resid 35 and name HN ) 0 0 5 ! 
assign  ( resid 34 and name HG** ) ( resid 35 and name HN ) 0 0 5.9 ! 
assign  ( resid 34 and name HG** ) ( resid 35 and name HA ) 0 0 7.4 ! 
                   
assign  ( resid 35 and name HN ) ( resid 35 and name HA ) 0 0 2.7 ! 
assign  ( resid 35 and name HN ) ( resid 36 and name HN ) 0 0 3.5 ! 
assign  ( resid 35 and name HA ) ( resid 35 and name HB* ) 0 0 3.7 ! 
assign  ( resid 35 and name HA ) ( resid 36 and name HN ) 0 0 2.7 ! 3.5 ! 
assign  ( resid 35 and name HA ) ( resid 37 and name HN ) 0 0 5 ! 
assign  ( resid 35 and name HB* ) ( resid 36 and name HN ) 0 0 4.5 ! 
assign  ( resid 35 and name HB* ) ( resid 37 and name HN ) 0 0 6.00! 
                   
assign  ( resid 36 and name HN ) ( resid 36 and name HA ) 0 0 2.7 ! 
assign  ( resid 36 and name HN ) ( resid 36 and name HB2 ) 0 0 5.0 !  
assign  ( resid 36 and name HN ) ( resid 36 and name HB1 ) 0 0 5.0 !
assign  ( resid 36 and name HN ) ( resid 36 and name HG* ) 0 0 3.8 ! 
assign  ( resid 36 and name HN ) ( resid 37 and name HN ) 0 0 5 ! 
assign  ( resid 36 and name HA ) ( resid 37 and name HN ) 0 0 5 ! 
assign  ( resid 36 and name HB* ) ( resid 37 and name HD* ) 0 0 4.8 ! 
                   
assign  ( resid 37 and name HN ) ( resid 37 and name HB* ) 0 0 3.8 ! 
assign  ( resid 37 and name HN ) ( resid 38 and name HN ) 0 0 2.7 ! 
assign  ( resid 37 and name HA ) ( resid 37 and name HB2 ) 0 0 3.5 !
assign  ( resid 37 and name HA ) ( resid 37 and name HB1 ) 0 0 3.5 !
assign  ( resid 37 and name HA ) ( resid 37 and name HD* ) 0 0 3.8 !
assign  ( resid 37 and name HA ) ( resid 38 and name HN ) 0 0 5 !
assign  ( resid 37 and name HB2 ) ( resid 37 and name HD* ) 0 0 3.8 !
assign  ( resid 37 and name HB1 ) ( resid 37 and name HD* ) 0 0 3.8 !
                  
assign  ( resid 38 and name HN ) ( resid 38 and name HB2 ) 0 0 3.5 !
assign  ( resid 38 and name HN ) ( resid 38 and name HB1 ) 0 0 3.5 !
assign  ( resid 38 and name HA ) ( resid 38 and name HB* ) 0 0 4.5 !
assign  ( resid 38 and name HA ) ( resid 39 and name HN ) 0 0 2.7 !
assign  ( resid 38 and name HB2 ) ( resid 38 and name HD* ) 0 0 3.8 !
assign  ( resid 38 and name HB1 ) ( resid 38 and name HD* ) 0 0 3.8 !
assign  ( resid 38 and name HB2 ) ( resid 39 and name HN ) 0 0 5 !
assign  ( resid 38 and name HB1 ) ( resid 39 and name HN ) 0 0 5 !
                  
assign  ( resid 39 and name HN ) ( resid 39 and name HB2 ) 0 0 5 ! 
assign  ( resid 39 and name HN ) ( resid 39 and name HB1 ) 0 0 5 ! 
assign  ( resid 39 and name HA ) ( resid 39 and name HB* ) 0 0 3.8 ! 
assign  ( resid 39 and name HA ) ( resid 40 and name HN ) 0 0 2.7 ! 
assign  ( resid 39 and name HB2 ) ( resid 40 and name HN ) 0 0 5 ! 
assign  ( resid 39 and name HB1 ) ( resid 40 and name HN ) 0 0 5 ! 
                   
assign  ( resid 40 and name HN ) ( resid 40 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 40 and name HN ) ( resid 40 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 40 and name HN ) ( resid 40 and name HG2 ) 0 0 5 ! 
assign  ( resid 40 and name HN ) ( resid 40 and name HG1 ) 0 0 5 ! 
assign  ( resid 40 and name HN ) ( resid 41 and name HN ) 0 0 5 ! 
assign  ( resid 40 and name HA ) ( resid 40 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 40 and name HA ) ( resid 40 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 40 and name HA ) ( resid 40 and name HG* ) 0 0 3.8 ! 
assign  ( resid 40 and name HA ) ( resid 41 and name HN ) 0 0 2.7 ! 
assign  ( resid 40 and name HA ) ( resid 41 and name HB2 ) 0 0 5 ! 
assign  ( resid 40 and name HA ) ( resid 41 and name HB1 ) 0 0 5 ! 
assign  ( resid 40 and name HB2 ) ( resid 41 and name HN ) 0 0 5 ! 
assign  ( resid 40 and name HB1 ) ( resid 41 and name HN ) 0 0 5 ! 
                   
assign  ( resid 41 and name HN ) ( resid 41 and name HB2 ) 0 0 2.7 !
assign  ( resid 41 and name HN ) ( resid 41 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 41 and name HA ) ( resid 41 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 41 and name HA ) ( resid 41 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 41 and name HA ) ( resid 42 and name HN ) 0 0 2.7 ! 
assign  ( resid 41 and name HB1) ( resid 42 and name HN ) 0 0 5.0 ! 
assign  ( resid 41 and name HB2) ( resid 42 and name HN ) 0 0 5.0 !
                   
assign  ( resid 42 and name HN ) ( resid 42 and name HA ) 0 0 2.7 ! 
assign  ( resid 42 and name HN ) ( resid 42 and name HG2* ) 0 0 6 !
assign  ( resid 42 and name HN ) ( resid 42 and name HG1* ) 0 0 4.5!
assign  ( resid 42 and name HN ) ( resid 42 and name HD1* ) 0 0 6.00
assign  ( resid 42 and name HA ) ( resid 42 and name HG2* ) 0 0 6 ! 
assign  ( resid 42 and name HA ) ( resid 42 and name HG1* ) 0 0 3.8 ! 
assign  ( resid 42 and name HA ) ( resid 43 and name HN ) 0 0 2.7 !  
assign  ( resid 44 and name HG2 ) ( resid 44 and name HN ) 0 0 3.5 ! 
assign  ( resid 44 and name HG2 ) ( resid 45 and name HN ) 0 0 5 ! 
assign  ( resid 44 and name HG2 ) ( resid 62 and name HD* ) 0 0 5.5
assign  ( resid 44 and name HG2 ) ( resid 62 and name HE* ) 0 0 5.5
assign  ( resid 44 and name HG1 ) ( resid 62 and name HD* ) 0 0 5.5
assign  ( resid 44 and name HG1 ) ( resid 62 and name HE* ) 0 0 5.5
assign  ( resid 44 and name HG1 ) ( resid 44 and name HN ) 0 0 3.50
assign  ( resid 44 and name HG1) ( resid 45 and name HN ) 0 0 5
                   
assign  ( resid 43 and name HN ) ( resid 43 and name HA ) 0 0 3.5 !
assign  ( resid 43 and name HN ) ( resid 43 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 43 and name HN ) ( resid 43 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 43 and name HA ) ( resid 43 and name HB* ) 0 0 4.5 ! 
assign  ( resid 43 and name HA ) ( resid 44 and name HN ) 0 0 2.7 ! 
assign  ( resid 43 and name HA ) ( resid 45 and name HN ) 0 0 3.5 ! 
assign  ( resid 43 and name HB2 ) ( resid 44 and name HN ) 0 0 5 ! 
assign  ( resid 43 and name HB1 ) ( resid 44 and name HN ) 0 0 5 !
assign  ( resid 43 and name HB** ) ( resid 45 and name HN ) 0 0 5.3 ! 
                   
assign  ( resid 44 and name HN ) ( resid 44 and name HA ) 0 0 3.5 ! 
assign  ( resid 44 and name HN ) ( resid 44 and name HB* ) 0 0 5.3
assign  ( resid 44 and name HN ) ( resid 45 and name HN ) 0 0 2.7 ! 
assign  ( resid 44 and name HN ) ( resid 62 and name HD*) 0 0 7
assign  ( resid 44 and name HA ) ( resid 44 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 44 and name HA ) ( resid 44 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 44 and name HA ) ( resid 45 and name HN ) 0 0 5 ! 
assign  ( resid 44 and name HB1 ) ( resid 62 and name HD* ) 0 0 5.5
assign  ( resid 44 and name HB1 ) ( resid 62 and name HD* ) 0 0 5.5
assign  ( resid 44 and name HB2 ) ( resid 62 and name HE* ) 0 0 5.5
assign  ( resid 44 and name HB2 ) ( resid 62 and name HE* ) 0 0 5.5
                   
assign  ( resid 45 and name HN ) ( resid 45 and name HA ) 0 0 2.7 ! 
assign  ( resid 45 and name HN ) ( resid 45 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 45 and name HN ) ( resid 45 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 45 and name HN ) ( resid 45 and name HB* ) 0 0 3
assign  ( resid 45 and name HN ) ( resid 46 and name HN ) 0 0 2.7 !3.5  
assign  ( resid 45 and name HN ) ( resid 57 and name HB1 ) 0 0 5 ! 
assign  ( resid 45 and name HA ) ( resid 45 and name HB2 ) 0 0 3.5 !2.7 ! 
assign  ( resid 45 and name HA ) ( resid 45 and name HB1 ) 0 0 3.5 !2.7 ! 
assign  ( resid 45 and name HA ) ( resid 46 and name HN ) 0 0 5 ! 3.5 ! 
assign  ( resid 45 and name HA ) ( resid 47 and name HN ) 0 0 5
assign  ( resid 45 and name HB* ) ( resid 46 and name HN ) 0 0 5.3 ! 
assign  ( resid 45 and name HB* ) ( resid 55 and name HN ) 0 0 5.3 ! 
                   
assign  ( resid 46 and name HN ) ( resid 46 and name HA ) 0 0 2.7 ! 
assign  ( resid 46 and name HN ) ( resid 46 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 46 and name HN ) ( resid 46 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 46 and name HN ) ( resid 46 and name HG2 ) 0 0 3.5 ! 
assign  ( resid 46 and name HN ) ( resid 46 and name HG1 ) 0 0 3.5 ! 
assign  ( resid 46 and name HN ) ( resid 55 and name HB* ) 0 0 5.3 ! 
assign  ( resid 46 and name HA ) ( resid 46 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 46 and name HA ) ( resid 46 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 46 and name HA ) ( resid 46 and name HG2 ) 0 0 5 ! 
assign  ( resid 46 and name HA ) ( resid 46 and name HG1 ) 0 0 5 ! 
assign  ( resid 46 and name HA ) ( resid 47 and name HN ) 0 0 3.50! 
assign  ( resid 46 and name HB2 ) ( resid 47 and name HN ) 0 0 2.7 ! 
assign  ( resid 46 and name HB1 ) ( resid 47 and name HN ) 0 0 3.5 ! 
                   
assign  ( resid 47 and name HN ) ( resid 47 and name HA ) 0 0 2.7 ! 
assign  ( resid 47 and name HN ) ( resid 47 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 47 and name HN ) ( resid 47 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 47 and name HN ) ( resid 48 and name HD* ) 0 0 6 ! 
assign  ( resid 47 and name HA ) ( resid 47 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 47 and name HA ) ( resid 47 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 47 and name HA ) ( resid 48 and name HD2 ) 0 0 2.7 ! 
assign  ( resid 47 and name HA ) ( resid 48 and name HD1 ) 0 0 2.7 ! 
assign  ( resid 47 and name HB2 ) ( resid 48 and name HD2 ) 0 0 5 ! 
assign  ( resid 47 and name HB1 ) ( resid 48 and name HD2 ) 0 0 5 ! 
                   
assign  ( resid 48 and name HA ) ( resid 49 and name HN ) 0 0 2.7 ! 
assign  ( resid 48 and name HB* ) ( resid 49 and name HN ) 0 0 4.5 ! 
                   
assign  ( resid 49 and name HN ) ( resid 49 and name HA ) 0 0 3.5 ! 
assign  ( resid 49 and name HN ) ( resid 49 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 49 and name HN ) ( resid 49 and name HB1 ) 0 0 2.7 !
assign  ( resid 49 and name HN ) ( resid 50 and name HN ) 0 0 2.7 !
assign  ( resid 49 and name HA ) ( resid 49 and name HB2 ) 0 0 3.5 !
assign  ( resid 49 and name HA ) ( resid 49 and name HB1 ) 0 0 3.5 !
assign  ( resid 49 and name HA ) ( resid 50 and name HN ) 0 0 3.5 !
assign  ( resid 49 and name HB2 ) ( resid 50 and name HN ) 0 0 5 !
assign  ( resid 49 and name HB1 ) ( resid 50 and name HN ) 0 0 5 !
                  
assign  ( resid 50 and name HN ) ( resid 50 and name HA ) 0 0 3.5 !
assign  ( resid 50 and name HN ) ( resid 50 and name HB ) 0 0 3.5 !
assign  ( resid 50 and name HN ) ( resid 50 and name HG2* ) 0 0 4.5 !
assign  ( resid 50 and name HN ) ( resid 51 and name HN ) 0 0 3.5 !
assign  ( resid 50 and name HA ) ( resid 50 and name HG2* ) 0 0 4.5 !
assign  ( resid 50 and name HA ) ( resid 51 and name HN ) 0 0 3.5 !
assign  ( resid 50 and name HB ) ( resid 51 and name HN ) 0 0 3.5 !
assign  ( resid 50 and name HG2* ) ( resid 51 and name HN ) 0 0 4.5 ! 
                   
assign  ( resid 51 and name HN ) ( resid 51 and name HA ) 0 0 3.5 ! 
assign  ( resid 51 and name HN ) ( resid 51 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 51 and name HN ) ( resid 51 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 51 and name HN ) ( resid 52 and name HN ) 0 0 5 ! 
assign  ( resid 51 and name HN ) ( resid 55 and name HB2 ) 0 0 5 ! 
assign  ( resid 51 and name HN ) ( resid 55 and name HB1 ) 0 0 5 ! 
assign  ( resid 51 and name HA ) ( resid 51 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 51 and name HA ) ( resid 51 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 51 and name HA ) ( resid 52 and name HN ) 0 0 2.7 ! 
assign  ( resid 51 and name HA ) ( resid 53 and name HN ) 0 0 5 ! 
assign  ( resid 51 and name HB2 ) ( resid 52 and name HN ) 0 0 5 ! 
assign  ( resid 51 and name HB1 ) ( resid 52 and name HN ) 0 0 5 ! 
                   
assign  ( resid 52 and name HN ) ( resid 52 and name HA ) 0 0 3.5 ! 
assign  ( resid 52 and name HN ) ( resid 52 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 52 and name HN ) ( resid 52 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 52 and name HN ) ( resid 80 and name HA ) 0 0 5
assign  ( resid 52 and name HN ) ( resid 78 and name HA ) 0 0 6
assign  ( resid 52 and name HA ) ( resid 52 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 52 and name HA ) ( resid 52 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 52 and name HA ) ( resid 53 and name HN ) 0 0 3.5 ! 
assign  ( resid 52 and name HB* ) ( resid 53 and name HN ) 0 0 4.5 ! 
                   
assign  ( resid 53 and name HN ) ( resid 53 and name HA ) 0 0 3.5 ! 
assign  ( resid 53 and name HN ) ( resid 53 and name HB2 ) 0 0 5.0 !
assign  ( resid 53 and name HN ) ( resid 53 and name HB1 ) 0 0 5.0 !
assign  ( resid 53 and name HN ) ( resid 53 and name HG* ) 0 0 3.8 ! 
assign  ( resid 53 and name HA ) ( resid 53 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 53 and name HA ) ( resid 53 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 53 and name HA ) ( resid 53 and name HG* ) 0 0 5.3 ! 
assign  ( resid 53 and name HB2 ) ( resid 54 and name HN ) 0 0 2.7 ! 
assign  ( resid 53 and name HB1 ) ( resid 54 and name HN ) 0 0 2.7 ! 
assign  ( resid 53 and name HB2 ) ( resid 66 and name HA ) 0 0 5 ! 
assign  ( resid 53 and name HB1 ) ( resid 66 and name HA ) 0 0 5 ! 
assign  ( resid 53 and name HG* ) ( resid 66 and name HA ) 0 0 5.3 ! 
                   
assign  ( resid 54 and name HN ) ( resid 54 and name HA ) 0 0 3.5 ! 
assign  ( resid 54 and name HN ) ( resid 54 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 54 and name HN ) ( resid 54 and name HB1 ) 0 0 3.5 !
assign  ( resid 54 and name HN ) ( resid 54 and name HD2* ) 0 0 4.5 ! 
assign  ( resid 54 and name HN ) ( resid 55 and name HN ) 0 0 5 ! 
assign  ( resid 54 and name HN ) ( resid 66 and name HA ) 0 0 5 ! 
assign  ( resid 54 and name HA ) ( resid 54 and name HB* ) 0 0 3 ! 
assign  ( resid 54 and name HA ) ( resid 54 and name HG ) 0 0 3.5 ! 
assign  ( resid 54 and name HA ) ( resid 54 and name HD** ) 0 0 5.1 ! 
assign  ( resid 54 and name HA ) ( resid 55 and name HN ) 0 0 2.7 ! 
assign  ( resid 54 and name HA ) ( resid 55 and name HB2 ) 0 0 5 ! 
assign  ( resid 54 and name HA ) ( resid 55 and name HB1 ) 0 0 5 ! 
assign  ( resid 54 and name HB* ) ( resid 65 and name HN ) 0 0 5.3 !
assign  ( resid 54 and name HD1* ) ( resid 55 and name HN ) 0 0 4.5 ! 
assign  ( resid 54 and name HD2* ) ( resid 66 and name HN ) 0 0 6 ! 
assign  ( resid 54 and name HD2* ) ( resid 55 and name HN ) 0 0 3.7 ! 
assign  ( resid 54 and name HD1* ) ( resid 67 and name HN ) 0 0 6 ! 
assign  ( resid 54 and name HD1* ) ( resid 68 and name HN ) 0 0 4.5 ! 
                   
assign  ( resid 55 and name HN ) ( resid 55 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 55 and name HN ) ( resid 55 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 55 and name HA ) ( resid 55 and name HB2 ) 0 0 5 ! 
assign  ( resid 55 and name HA ) ( resid 56 and name HN ) 0 0 2.7 ! 
assign  ( resid 55 and name HA ) ( resid 64 and name HA ) 0 0 5 ! 
assign  ( resid 55 and name HA ) ( resid 65 and name HN ) 0 0 3.5 ! 
assign  ( resid 55 and name HB2 ) ( resid 56 and name HN ) 0 0 5 ! 
assign  ( resid 55 and name HB1 ) ( resid 56 and name HN ) 0 0 3.5 ! 
                   
assign  ( resid 56 and name HN ) ( resid 56 and name HB ) 0 0 3.5 ! 
assign  ( resid 56 and name HN ) ( resid 64 and name HA ) 0 0 5 ! 
assign  ( resid 56 and name HA ) ( resid 56 and name HB ) 0 0 3.5 ! 
assign  ( resid 56 and name HA ) ( resid 57 and name HN ) 0 0 2.7 ! 
assign  ( resid 56 and name HA ) ( resid 57 and name HB2 ) 0 0 5 ! 
assign  ( resid 56 and name HA ) ( resid 57 and name HB1 ) 0 0 5 ! 
assign  ( resid 56 and name HB ) ( resid 57 and name HN ) 0 0 5 ! 
assign  ( resid 56 and name HG** ) ( resid 57 and name HN ) 0 0 5.1 ! 
                   
assign  ( resid 57 and name HN ) ( resid 57 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 57 and name HN ) ( resid 57 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 57 and name HN ) ( resid 57 and name HD21 ) 0 0 6 ! 
assign  ( resid 57 and name HN ) ( resid 57 and name HD22 ) 0 0 6 !
assign  ( resid 57 and name HA ) ( resid 57 and name HB2 ) 0 0 3.5 !
assign  ( resid 57 and name HA ) ( resid 57 and name HB1 ) 0 0 3.5 !
assign  ( resid 57 and name HA ) ( resid 58 and name HN ) 0 0 5 !
assign  ( resid 57 and name HA ) ( resid 62 and name HD* ) 0 0 7
assign  ( resid 57 and name HA ) ( resid 63 and name HN ) 0 0 5
assign  ( resid 57 and name HB2 ) ( resid 58 and name HN ) 0 0 5 !
assign  ( resid 57 and name HB1 ) ( resid 58 and name HN ) 0 0 3.5 !
assign  ( resid 57 and name HB1 ) ( resid 58 and name HA ) 0 0 5 !
                  
assign  ( resid 58 and name HN ) ( resid 58 and name HG ) 0 0 3.5 !
assign  ( resid 58 and name HN ) ( resid 58 and name HD1* ) 0 0 6 !
assign  ( resid 58 and name HA ) ( resid 59 and name HN ) 0 0 2.7 !
assign  ( resid 58 and name HG ) ( resid 59 and name HN ) 0 0 3.5 !
assign  ( resid 58 and name HG ) ( resid 61 and name HN ) 0 0 3.5
assign  ( resid 58 and name HD1* ) ( resid 61 and name HN ) 0 0 4.5
assign  ( resid 58 and name HD1* ) ( resid 59 and name HN ) 0 0 4.5 !
assign  ( resid 58 and name HD1* ) ( resid 62 and name HN ) 0 0 6
assign  ( resid 58 and name HD2* ) ( resid 59 and name HN ) 0 0 4.5 !
assign  ( resid 58 and name HD2* ) ( resid 63 and name HN ) 0 0 4.5
assign  ( resid 58 and name HD2* ) ( resid 61 and name HN ) 0 0 4.5
assign  ( resid 58 and name HD2* ) ( resid 62 and name HN ) 0 0 4.5
assign  ( resid 58 and name HD2* ) ( resid 63 and name HN ) 0 0 4.5 
                  
assign  ( resid 59 and name HN ) ( resid 59 and name HA ) 0 0 3.5 ! 
assign  ( resid 59 and name HN ) ( resid 59 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 59 and name HN ) ( resid 59 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 59 and name HA ) ( resid 59 and name HB2 ) 0 0 5 ! 
assign  ( resid 59 and name HA ) ( resid 59 and name HB1 ) 0 0 5 ! 
assign  ( resid 59 and name HA ) ( resid 60 and name HN ) 0 0 2.7
assign  ( resid 59 and name HA ) ( resid 61 and name HN ) 0 0 3.5 ! 
assign  ( resid 59 and name HB1 ) ( resid 60 and name HN ) 0 0 5
assign  ( resid 59 and name HB2 ) ( resid 60 and name HN ) 0 0 5
assign  ( resid 59 and name HB1 ) ( resid 61 and name HN ) 0 0 6
assign  ( resid 59 and name HB2 ) ( resid 61 and name HN ) 0 0 6
                   
assign  ( resid 60 and name HN ) ( resid 60 and name HA1 ) 0 0 2.7
assign  ( resid 60 and name HN ) ( resid 60 and name HA2 ) 0 0 2.7
assign  ( resid 60 and name HA2 ) ( resid 60 and name HN ) 0 0 2.7
assign  ( resid 60 and name HA2 ) ( resid 61 and name HN ) 0 0 3.5
assign  ( resid 60 and name HA2 ) ( resid 62 and name HN ) 0 0 5.5
assign  ( resid 60 and name HA1 ) ( resid 60 and name HN ) 0 0 2.7
assign  ( resid 60 and name HA1 ) ( resid 61 and name HN ) 0 0 3.5
assign  ( resid 60 and name HA1 ) ( resid 62 and name HN ) 0 0 5.5
 
assign  ( resid 61 and name HN ) ( resid 61 and name HA* ) 0 0 3
assign  ( resid 61 and name HN ) ( resid 62 and name HN ) 0 0 5 ! 
assign  ( resid 61 and name HA* ) ( resid 62 and name HN ) 0 0 3 ! 
                   
assign  ( resid 62 and name HN ) ( resid 62 and name HA ) 0 0 3.5
assign  ( resid 62 and name HN ) ( resid 62 and name HB2 ) 0 0 5 !
assign  ( resid 62 and name HN ) ( resid 62 and name HB1 ) 0 0 5 ! 
assign  ( resid 62 and name HN ) ( resid 62 and name HD* ) 0 0 5.5 ! 
assign  ( resid 62 and name HA ) ( resid 62 and name HB1 ) 0 0 5 ! 
assign  ( resid 62 and name HA ) ( resid 62 and name HD* ) 0 0 5.5 ! 
assign  ( resid 62 and name HA ) ( resid 62 and name HE* ) 0 0 7
assign  ( resid 62 and name HA ) ( resid 63 and name HN ) 0 0 2.70
assign  ( resid 62 and name HB2 ) ( resid 62 and name HD* ) 0 0 4.7 ! 
assign  ( resid 62 and name HB2 ) ( resid 62 and name HE* ) 0 0 5.5 ! 
assign  ( resid 62 and name HB2 ) ( resid 63 and name HN ) 0 0 5 ! 
assign  ( resid 62 and name HB1 ) ( resid 62 and name HD* ) 0 0 4.7 ! 
assign  ( resid 62 and name HB1 ) ( resid 62 and name HE* ) 0 0 5.5 ! 
assign  ( resid 62 and name HB1 ) ( resid 63 and name HN ) 0 0 5 ! 
assign  ( resid 62 and name HD* ) ( resid 63 and name HN ) 0 0 5.5
assign  ( resid 62 and name HD* ) ( resid 63 and name HA ) 0 0 5.5
assign  ( resid 62 and name HD* ) ( resid 64 and name HN ) 0 0 7
assign  ( resid 62 and name HE* ) ( resid 63 and name HA ) 0 0 7
assign  ( resid 62 and name HE* ) ( resid 64 and name HN ) 0 0 7
                   
assign  ( resid 63 and name HN ) ( resid 63 and name HA ) 0 0 3.5 ! 
assign  ( resid 63 and name HN ) ( resid 63 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 63 and name HN ) ( resid 63 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 63 and name HN ) ( resid 63 and name HG2 ) 0 0 5 ! 
assign  ( resid 63 and name HN ) ( resid 63 and name HG1 ) 0 0 5 ! 
assign  ( resid 63 and name HA ) ( resid 64 and name HN ) 0 0 2.7 ! 
assign  ( resid 63 and name HB2 ) ( resid 64 and name HN ) 0 0 3.5 ! 
assign  ( resid 63 and name HB1 ) ( resid 64 and name HN ) 0 0 3.5 ! 
assign  ( resid 63 and name HG2 ) ( resid 64 and name HN ) 0 0 5.00! 
assign  ( resid 63 and name HG1 ) ( resid 64 and name HN ) 0 0 5.00! 
                   
assign  ( resid 64 and name HN ) ( resid 64 and name HA ) 0 0 3.5 ! 
assign  ( resid 64 and name HN ) ( resid 64 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 64 and name HN ) ( resid 64 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 64 and name HA ) ( resid 65 and name HN ) 0 0 2.7 ! 
assign  ( resid 64 and name HB2 ) ( resid 65 and name HN ) 0 0 3.5 ! 
assign  ( resid 64 and name HB1 ) ( resid 65 and name HN ) 0 0 3.5 ! 
                   
assign  ( resid 65 and name HN ) ( resid 65 and name HA ) 0 0 3.5 ! 
assign  ( resid 65 and name HA ) ( resid 65 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 65 and name HA ) ( resid 65 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 65 and name HA ) ( resid 66 and name HN ) 0 0 2.7 ! 
assign  ( resid 65 and name HB2 ) ( resid 66 and name HN ) 0 0 2.7 ! 
assign  ( resid 65 and name HB1 ) ( resid 66 and name HN ) 0 0 2.7 ! 
                   
assign  ( resid 66 and name HN ) ( resid 66 and name HA ) 0 0 3.5 ! 
assign  ( resid 66 and name HN ) ( resid 66 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 66 and name HN ) ( resid 66 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 66 and name HA ) ( resid 66 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 66 and name HA ) ( resid 66 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 66 and name HA ) ( resid 67 and name HN ) 0 0 2.7 ! 
assign  ( resid 66 and name HB2 ) ( resid 67 and name HN ) 0 0 3.5 ! 
assign  ( resid 66 and name HB2 ) ( resid 70 and name HD* ) 0 0 5.5 ! 
assign  ( resid 66 and name HB1 ) ( resid 67 and name HN ) 0 0 3.5 ! 
assign  ( resid 66 and name HB1 ) ( resid 70 and name HD* ) 0 0 4.7 ! 
assign  ( resid 66 and name HB* ) ( resid 70 and name HN ) 0 0 3.8 ! 
                   
assign  ( resid 67 and name HN ) ( resid 67 and name HA ) 0 0 3.5 ! 
assign  ( resid 67 and name HN ) ( resid 67 and name HB* ) 0 0 3 ! 
assign  ( resid 67 and name HN ) ( resid 67 and name HG* ) 0 0 5.3 ! 
assign  ( resid 67 and name HN ) ( resid 68 and name HN ) 0 0 5 ! 
assign  ( resid 67 and name HN ) ( resid 70 and name HN ) 0 0 5 ! 
assign  ( resid 67 and name HN ) ( resid 70 and name HB* ) 0 0 4.5 ! 
assign  ( resid 67 and name HN ) ( resid 70 and name HD* ) 0 0 5.5 !
assign  ( resid 67 and name HN ) ( resid 70 and name HE* ) 0 0 7.0 !
assign  ( resid 67 and name HA ) ( resid 67 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 67 and name HA ) ( resid 67 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 67 and name HA ) ( resid 67 and name HG* ) 0 0 3.8 ! 
assign  ( resid 67 and name HA ) ( resid 68 and name HN ) 0 0 3.50! 
assign  ( resid 67 and name HB2 ) ( resid 70 and name HD* ) 0 0 4.7 ! 
assign  ( resid 67 and name HB2 ) ( resid 70 and name HE* ) 0 0 4.7 !
assign  ( resid 67 and name HB1 ) ( resid 70 and name HD* ) 0 0 4.7 !
assign  ( resid 67 and name HB1 ) ( resid 70 and name HE* ) 0 0 4.7 !
assign  ( resid 67 and name HB* ) ( resid 68 and name HN ) 0 0 5.3! 
                  
assign  ( resid 68 and name HA ) ( resid 69 and name HN ) 0 0 3.5 !
assign  ( resid 68 and name HN ) ( resid 68 and name HB* ) 0 0 3.8
assign  ( resid 68 and name HB2 ) ( resid 69 and name HN ) 0 0 2.7 !
assign  ( resid 68 and name HB1 ) ( resid 69 and name HN ) 0 0 2.7 !
                  
assign  ( resid 69 and name HN ) ( resid 69 and name HA2 ) 0 0 2.7 !
assign  ( resid 69 and name HN ) ( resid 69 and name HA1 ) 0 0 2.7 !
assign  ( resid 69 and name HN ) ( resid 70 and name HN ) 0 0 2.7 !
assign  ( resid 69 and name HN ) ( resid 70 and name HD* ) 0 0 7 !
assign  ( resid 69 and name HA2 ) ( resid 70 and name HN ) 0 0 3.5 !
assign  ( resid 69 and name HA2 ) ( resid 70 and name HD* ) 0 0 7 !
assign  ( resid 69 and name HA1 ) ( resid 70 and name HN ) 0 0 3.5!
assign  ( resid 69 and name HA1 ) ( resid 70 and name HD* ) 0 0 7 !
assign  ( resid 69 and name HA1 ) ( resid 82 and name HG1* ) 0 0 6 !
                  
assign  ( resid 70 and name HN ) ( resid 70 and name HA ) 0 0 2.7 !
assign  ( resid 70 and name HN ) ( resid 70 and name HB2 ) 0 0 3.5 !
assign  ( resid 70 and name HN ) ( resid 70 and name HB1 ) 0 0 3.5 !
assign  ( resid 70 and name HN ) ( resid 70 and name HD* ) 0 0 4.7 !
assign  ( resid 70 and name HN ) ( resid 82 and name HG1* ) 0 0 6 !
assign  ( resid 70 and name HA ) ( resid 70 and name HB2 ) 0 0 3.5 !
assign  ( resid 70 and name HA ) ( resid 70 and name HB1 ) 0 0 2.7 !
assign  ( resid 70 and name HA ) ( resid 70 and name HD* ) 0 0 4.7 !
assign  ( resid 70 and name HA ) ( resid 70 and name HE* ) 0 0 7 !
assign  ( resid 70 and name HA ) ( resid 71 and name HN ) 0 0 2.7 !
assign  ( resid 70 and name HA ) ( resid 80 and name HN ) 0 0 5 !
assign  ( resid 70 and name HA ) ( resid 81 and name HA ) 0 0 2.7 ! 
assign  ( resid 70 and name HA ) ( resid 81 and name HB* ) 0 0 6 ! 
assign  ( resid 70 and name HA ) ( resid 82 and name HN ) 0 0 2.7 ! 
assign  ( resid 70 and name HA ) ( resid 82 and name HG** ) 0 0 7.4 ! 
assign  ( resid 70 and name HB2 ) ( resid 70 and name HD* ) 0 0 4.7 ! 
assign  ( resid 70 and name HB2 ) ( resid 70 and name HE* ) 0 0 5.5 ! 
assign  ( resid 70 and name HB2 ) ( resid 71 and name HN ) 0 0 5 ! 
assign  ( resid 70 and name HB2 ) ( resid 82 and name HN ) 0 0 5 ! 
assign  ( resid 70 and name HB1 ) ( resid 70 and name HD* ) 0 0 4.7 ! 
assign  ( resid 70 and name HB1 ) ( resid 70 and name HE* ) 0 0 4.7 ! 
assign  ( resid 70 and name HB1 ) ( resid 71 and name HN ) 0 0 2.7 ! 
assign  ( resid 70 and name HB1 ) ( resid 82 and name HN ) 0 0 5 ! 
assign  ( resid 70 and name HB* ) ( resid 71 and name HN ) 0 0 3.13 ! 
assign  ( resid 70 and name HD* ) ( resid 71 and name HN ) 0 0 4.7 ! 
assign  ( resid 70 and name HD* ) ( resid 79 and name HA ) 0 0 7 ! 
assign  ( resid 70 and name HD* ) ( resid 79 and name HB* ) 0 0 5 ! 
assign  ( resid 70 and name HD* ) ( resid 80 and name HN ) 0 0 5.5 !
assign  ( resid 70 and name HD* ) ( resid 80 and name HA ) 0 0 4.7 !
assign  ( resid 70 and name HD* ) ( resid 80 and name HB2 ) 0 0 4.7 !
assign  ( resid 70 and name HD* ) ( resid 80 and name HB1 ) 0 0 7 !
assign  ( resid 70 and name HD* ) ( resid 81 and name HN ) 0 0 4.7 !
assign  ( resid 70 and name HD* ) ( resid 81 and name HA ) 0 0 5.5 !
assign  ( resid 70 and name HD* ) ( resid 81 and name HB* ) 0 0 5.7 !
assign  ( resid 70 and name HE* ) ( resid 80 and name HA ) 0 0 7 !
assign  ( resid 70 and name HE* ) ( resid 80 and name HB2 ) 0 0 7 !
assign  ( resid 70 and name HE* ) ( resid 80 and name HB1 ) 0 0 7 !
assign  ( resid 70 and name HE* ) ( resid 81 and name HN ) 0 0 5.5 !
assign  ( resid 70 and name HE* ) ( resid 81 and name HA ) 0 0 5.5 !
assign  ( resid 70 and name HE* ) ( resid 81 and name HB* ) 0 0 5.7 !
assign  ( resid 70 and name HZ ) ( resid 81 and name HB* ) 0 0 5.7 !
                  
assign  ( resid 71 and name HN ) ( resid 71 and name HA ) 0 0 3.5 !
assign  ( resid 71 and name HN ) ( resid 71 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 71 and name HN ) ( resid 71 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 71 and name HN ) ( resid 71 and name HB* ) 0 0 2.95 ! 
assign  ( resid 71 and name HN ) ( resid 72 and name HN ) 0 0 5 ! 
assign  ( resid 71 and name HN ) ( resid 73 and name HN ) 0 0 5 ! 
assign  ( resid 71 and name HN ) ( resid 79 and name HA ) 0 0 5 ! 
assign  ( resid 71 and name HN ) ( resid 80 and name HN ) 0 0 2.7 ! 
assign  ( resid 71 and name HN ) ( resid 82 and name HN ) 0 0 3.5 ! 
assign  ( resid 71 and name HN ) ( resid 82 and name HN ) 0 0 5 ! 
assign  ( resid 71 and name HN ) ( resid 82 and name HG** ) 0 0 7.4 ! 
assign  ( resid 71 and name HA ) ( resid 71 and name HB2 ) 0 0 5 ! 
assign  ( resid 71 and name HA ) ( resid 71 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 71 and name HA ) ( resid 72 and name HN ) 0 0 2.7 ! 
assign  ( resid 71 and name HA ) ( resid 72 and name HB2 ) 0 0 5 ! 
assign  ( resid 71 and name HA ) ( resid 72 and name HB2 ) 0 0 5 ! 
assign  ( resid 71 and name HA ) ( resid 72 and name HB1 ) 0 0 5 ! 
assign  ( resid 71 and name HA ) ( resid 72 and name HB1 ) 0 0 5 ! 
assign  ( resid 71 and name HB2 ) ( resid 72 and name HN ) 0 0 3.5 ! 
assign  ( resid 71 and name HB1 ) ( resid 72 and name HN ) 0 0 2.7 ! 
assign  ( resid 71 and name HB* ) ( resid 72 and name HD** ) 0 0 8.4 ! 
                   
assign  ( resid 72 and name HN ) ( resid 72 and name HA ) 0 0 3.5 ! 
assign  ( resid 72 and name HN ) ( resid 72 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 72 and name HN ) ( resid 72 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 72 and name HN ) ( resid 72 and name HG ) 0 0 5 ! 
assign  ( resid 72 and name HN ) ( resid 72 and name HD1* ) 0 0 6 ! 
assign  ( resid 72 and name HN ) ( resid 72 and name HD2* ) 0 0 6 ! 
assign  ( resid 72 and name HN ) ( resid 72 and name HD** ) 0 0 5.9 ! 
assign  ( resid 72 and name HA ) ( resid 72 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 72 and name HA ) ( resid 72 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 72 and name HA ) ( resid 72 and name HD1* ) 0 0 4.5 ! 
assign  ( resid 72 and name HA ) ( resid 72 and name HD2* ) 0 0 4.5 ! 
assign  ( resid 72 and name HA ) ( resid 73 and name HN ) 0 0 2.7 ! 
assign  ( resid 72 and name HA ) ( resid 80 and name HN ) 0 0 5 ! 
assign  ( resid 72 and name HG ) ( resid 73 and name HN ) 0 0 3.5 ! 
assign  ( resid 72 and name HD1* ) ( resid 73 and name HN ) 0 0 4.5 ! 
assign  ( resid 72 and name HD1* ) ( resid 77 and name HN ) 0 0 6 ! 
assign  ( resid 72 and name HD1* ) ( resid 78 and name HN ) 0 0 6 ! 
assign  ( resid 72 and name HD** ) ( resid 77 and name HA ) 0 0 5.9 ! 
assign  ( resid 72 and name HD** ) ( resid 79 and name HA ) 0 0 7.4 ! 
                   
assign  ( resid 73 and name HN ) ( resid 73 and name HA ) 0 0 3.5 ! 
assign  ( resid 73 and name HN ) ( resid 73 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 73 and name HN ) ( resid 73 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 73 and name HN ) ( resid 77 and name HN ) 0 0 5 ! 
assign  ( resid 73 and name HN ) ( resid 78 and name HN ) 0 0 5 ! 
assign  ( resid 73 and name HN ) ( resid 80 and name HN ) 0 0 5 ! 
assign  ( resid 73 and name HN ) ( resid 80 and name HG* ) 0 0 5.3 ! 
assign  ( resid 73 and name HA ) ( resid 73 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 73 and name HA ) ( resid 73 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 73 and name HA ) ( resid 74 and name HD2 ) 0 0 3.5 ! 
assign  ( resid 73 and name HA ) ( resid 74 and name HD1 ) 0 0 3.5 ! 
assign  ( resid 73 and name HB1 ) ( resid 76 and name HN ) 0 0 5 ! 
assign  ( resid 73 and name HB1 ) ( resid 76 and name HB ) 0 0 5 ! 
assign  ( resid 73 and name HB1 ) ( resid 78 and name HN ) 0 0 3.5 ! 
assign  ( resid 73 and name HB1 ) ( resid 78 and name HB* ) 0 0 4.5 ! 
                   
assign  ( resid 74 and name HA ) ( resid 75 and name HN ) 0 0 3.50!
assign  ( resid 74 and name HB2 ) ( resid 75 and name HN ) 0 0 2.7 ! 
assign  ( resid 74 and name HG2 ) ( resid 75 and name HN ) 0 0 5 ! 
assign  ( resid 74 and name HG1 ) ( resid 75 and name HN ) 0 0 5 ! 
assign  ( resid 74 and name HG* ) ( resid 75 and name HD1 ) 0 0 3.8 ! 
                   
assign  ( resid 75 and name HN ) ( resid 75 and name HA ) 0 0 2.7 !
assign  ( resid 75 and name HN ) ( resid 75 and name HB* ) 0 0 3.8 !
assign  ( resid 75 and name HN ) ( resid 76 and name HN ) 0 0 2.7 !
assign  ( resid 75 and name HA ) ( resid 75 and name HB* ) 0 0 3 !
assign  ( resid 75 and name HA ) ( resid 75 and name HD1 ) 0 0 5 !
assign  ( resid 75 and name HA ) ( resid 76 and name HN ) 0 0 5 !
assign  ( resid 75 and name HA ) ( resid 76 and name HG2* ) 0 0 6 !
assign  ( resid 75 and name HB* ) ( resid 76 and name HN ) 0 0 3.8 !
assign  ( resid 75 and name HB* ) ( resid 76 and name HG2* ) 0 0 4.8 !
                  
assign  ( resid 76 and name HN ) ( resid 76 and name HA ) 0 0 3.5 !
assign  ( resid 76 and name HN ) ( resid 76 and name HG2* ) 0 0 4.5 !
assign  ( resid 76 and name HN ) ( resid 77 and name HN ) 0 0 2.7 !
assign  ( resid 76 and name HA ) ( resid 76 and name HG2* ) 0 0 3.7 !
assign  ( resid 76 and name HA ) ( resid 77 and name HN ) 0 0 3.5 !
assign  ( resid 76 and name HA ) ( resid 78 and name HN ) 0 0 5 ! 
assign  ( resid 76 and name HB ) ( resid 77 and name HN ) 0 0 3.5 ! 
assign  ( resid 76 and name HB ) ( resid 78 and name HN ) 0 0 2.7 ! 
                   
assign  ( resid 77 and name HN ) ( resid 77 and name HA ) 0 0 2.7 ! 
assign  ( resid 77 and name HN ) ( resid 77 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 77 and name HN ) ( resid 77 and name HB1 ) 0 0 5 ! 
assign  ( resid 77 and name HN ) ( resid 77 and name HG* ) 0 0 3.8 ! 
assign  ( resid 77 and name HN ) ( resid 78 and name HN ) 0 0 2.7 ! 
assign  ( resid 77 and name HA ) ( resid 77 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 77 and name HA ) ( resid 77 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 77 and name HA ) ( resid 77 and name HG2 ) 0 0 5 ! 
assign  ( resid 77 and name HA ) ( resid 77 and name HG1 ) 0 0 5 ! 
assign  ( resid 77 and name HA ) ( resid 77 and name HD* ) 0 0 5.3 ! 
assign  ( resid 77 and name HA ) ( resid 78 and name HN ) 0 0 3.5 ! 
assign  ( resid 77 and name HA ) ( resid 78 and name HB* ) 0 0 6.53 ! 
assign  ( resid 77 and name HB2 ) ( resid 78 and name HN ) 0 0 5 ! 
assign  ( resid 77 and name HB1 ) ( resid 78 and name HN ) 0 0 5 ! 
                   
assign  ( resid 78 and name HN ) ( resid 78 and name HA ) 0 0 3.5 ! 
assign  ( resid 78 and name HN ) ( resid 78 and name HB* ) 0 0 3.7 ! 
assign  ( resid 78 and name HN ) ( resid 79 and name HN ) 0 0 5 ! !
assign  ( resid 78 and name HA ) ( resid 79 and name HN ) 0 0 3.5 ! 
assign  ( resid 78 and name HB* ) ( resid 79 and name HN ) 0 0 3.7 ! 
                   
assign  ( resid 79 and name HN ) ( resid 79 and name HA ) 0 0 3.5 ! 
assign  ( resid 79 and name HN ) ( resid 79 and name HB* ) 0 0 3.8 ! 
assign  ( resid 79 and name HN ) ( resid 80 and name HN ) 0 0 5 ! 
assign  ( resid 79 and name HA ) ( resid 79 and name HB* ) 0 0 3 ! 
assign  ( resid 79 and name HA ) ( resid 80 and name HN ) 0 0 2.7 ! 
assign  ( resid 79 and name HB* ) ( resid 80 and name HN ) 0 0 3.8 ! 
                   
assign  ( resid 80 and name HN ) ( resid 80 and name HA ) 0 0 3.5 !
assign  ( resid 80 and name HN ) ( resid 80 and name HB* ) 0 0 3.8 !
assign  ( resid 80 and name HN ) ( resid 80 and name HG* ) 0 0 3.8 !
assign  ( resid 80 and name HA ) ( resid 81 and name HN ) 0 0 2.7 !
assign  ( resid 80 and name HB* ) ( resid 81 and name HN ) 0 0 3.8 !
assign  ( resid 80 and name HG* ) ( resid 81 and name HN ) 0 0 5.3 !
                  
assign  ( resid 81 and name HN ) ( resid 81 and name HA ) 0 0 3.5 !
assign  ( resid 81 and name HN ) ( resid 81 and name HB* ) 0 0 3.7 !
assign  ( resid 81 and name HA ) ( resid 82 and name HG** ) 0 0 7.4 !
                  
assign  ( resid 82 and name HN ) ( resid 82 and name HA ) 0 0 2.7 !
assign  ( resid 82 and name HN ) ( resid 82 and name HB ) 0 0 2.7 !
assign  ( resid 82 and name HN ) ( resid 82 and name HG1* ) 0 0 4.5 !
assign  ( resid 82 and name HN ) ( resid 82 and name HG2* ) 0 0 4.5 !


!H-BOND 
assign (resid 32 and name HN) (resid 40 and name O) 1.9 0.1 0.1
assign (resid 32 and name N ) (resid 40 and name O) 2.8 0.1 0.2

assign (resid 82 and name HN) (resid 69 and name O) 1.9 0.1 0.1
assign (resid 82 and name N ) (resid 69 and name O) 2.8 0.1 0.2

assign (resid 8 and name HN) (resid 7 and name OD2) 1.9 0.1 0.1
assign (resid 8 and name N ) (resid 7 and name OD2) 2.8 0.1 0.2

assign (resid 36 and name HN) (resid 34 and name O) 1.9 0.1 0.1
assign (resid 36 and name N ) (resid 34 and name O) 2.8 0.1 0.2

assign (resid 40 and name HN) (resid 32 and name O) 1.9 0.1 0.1!
assign (resid 40 and name N ) (resid 32 and name O) 2.8 0.1 0.2!
 
assign (resid 43 and name OD2) (resid 45 and name HN) 1.9 0.1 0.1!
assign (resid 43 and name OD2) (resid 45 and name N ) 2.8 0.1 0.2!

assign (resid 31 and name HN) (resid 29 and name OD1) 1.9 0.1 0.1
assign (resid 31 and name N ) (resid 29 and name OD1) 2.8 0.1 0.2

assign (resid 69 and name HN) (resid 67 and name O) 1.9 0.1 0.1
assign (resid 69 and name N ) (resid 67 and name O) 2.8 0.1 0.2

assign (resid 56 and name HN) (resid 63 and name O) 1.9 0.1 0.1
assign (resid 56 and name N ) (resid 63 and name O) 2.8 0.1 0.2

assign (resid 63 and name HN) (resid 56 and name O) 1.9 0.1 0.1
assign (resid 63 and name N ) (resid 56 and name O) 2.8 0.1 0.2
 
assign (resid 17 and name HN) (resid 24 and name O) 1.9 0.1 0.1
assign (resid 17 and name N ) (resid 24 and name O) 2.8 0.1 0.2

assign (resid 24 and name HN) (resid 17 and name O) 1.9 0.1 0.1
assign (resid 24 and name N ) (resid 17 and name O) 2.8 0.1 0.2

assign (resid 58 and name HN) (resid 57 and name OD1) 1.9 0.1 0.1
assign (resid 58 and name N ) (resid 57 and name OD1) 2.8 0.1 0.2
 
assign (resid 72 and name HN) (resid 71 and name OE1) 1.9 0.1 0.1
assign (resid 72 and name N ) (resid 71 and name OE1) 2.8 0.1 0.2

assign (resid 42 and name HN) (resid 41 and name OD2) 1.9 0.1 0.1
assign (resid 42 and name N ) (resid 41 and name OD2) 2.8 0.1 0.2


!CALCIUM COORDINATION
!EGF-A
 assign ( resid 83 and name CAX) ( resid 4 and name OE1 ) 2.40 0.2 0.2
 assign ( resid 83 and name CAX) ( resid 4 and name OE2 ) 2.40 0.2 0.2 
 assign ( resid 83 and name CAX) ( resid 18 and name OD1 ) 2.40 0.2 0.2 

!EGF-B
 assign ( resid 84 and name CAX) ( resid 41 and name OD1 ) 2.40 0.2 0.2
 assign ( resid 84 and name CAX) ( resid 42 and name O ) 2.40 0.2 0.2
 assign ( resid 84 and name CAX) ( resid 44 and name OE1 ) 2.40 0.2 0.2
 assign ( resid 84 and name CAX) ( resid 44 and name OE2 ) 2.40 0.2 0.2
 assign ( resid 84 and name CAX) ( resid 57 and name OD1 ) 2.40 0.2 0.2
 assign ( resid 84 and name CAX) ( resid 58 and name O ) 2.40 0.2 0.2

!Dihedral restraints for EGF-AB
restraints dihedral reset


!EGF-A
assign (resid 2 and name c)(resid 3 and name n)
       (resid 3 and name ca)(resid 3 and name c)      1.0 -120 45 2

assign (resid 3 and name c)(resid 4 and name n)
       (resid 4 and name ca)(resid 4 and name c)      1.0 -60 30 2

assign (resid 4 and name c)(resid 5 and name n)
       (resid 5 and name ca)(resid 5 and name c)      1.0 -60 25 2

assign (resid 5 and name c)(resid 6 and name n)
       (resid 6 and name ca)(resid 6 and name c)      1.0 -60 25 2

assign (resid 6 and name c)(resid 7 and name n)
       (resid 7 and name ca)(resid 7 and name c)      1.0 -120 40 2

assign (resid 7 and name c)(resid 8 and name n)
       (resid 8 and name ca)(resid 8 and name c)      1.0 -60 25 2

assign (resid 8 and name c)(resid 9 and name n)
       (resid 9 and name ca)(resid 9 and name c)     1.0 -60 25 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 45 2

assign (resid 12 and name c)(resid 13 and name n)
       (resid 13 and name ca)(resid 13 and name c)    1.0 -120 45 2

assign (resid 13 and name c)(resid 14 and name n)
       (resid 14 and name ca)(resid 14 and name c)    1.0 -120 40 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 40 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 45 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 45 2

assign (resid 17 and name c)(resid 18 and name n)
       (resid 18 and name ca)(resid 18 and name c)    1.0 -60 25 2

assign (resid 19 and name c)(resid 20 and name n)
       (resid 20 and name ca)(resid 20 and name c)    1.0 -60 25 2

assign (resid 20 and name c)(resid 21 and name n)
       (resid 21 and name ca)(resid 21 and name c)    1.0 -120 40 2

assign (resid 22 and name c)(resid 23 and name n)
       (resid 23 and name ca)(resid 23 and name c)    1.0 -60 25 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 40 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 40 2

assign (resid 25 and name c)(resid 26 and name n)
       (resid 26 and name ca)(resid 26 and name c)    1.0 -120 45 2

assign (resid 26 and name c)(resid 27 and name n)
       (resid 27 and name ca)(resid 27 and name c)    1.0 -120 40 2

assign (resid 28 and name c)(resid 29 and name n)
       (resid 29 and name ca)(resid 29 and name c)    1.0 -120 40 2

assign (resid 29 and name c)(resid 30 and name n)
       (resid 30 and name ca)(resid 30 and name c)    1.0 -60 25 2

assign (resid 30 and name c)(resid 31 and name n)
       (resid 31 and name ca)(resid 31 and name c)    1.0 -100 65 2

assign (resid 31 and name c)(resid 32 and name n)
       (resid 32 and name ca)(resid 32 and name c)    1.0 -120 40 2

assign (resid 32 and name c)(resid 33 and name n)
       (resid 33 and name ca)(resid 33 and name c)    1.0 -60 25 2

assign (resid 33 and name c)(resid 34 and name n)
       (resid 34 and name ca)(resid 34 and name c)    1.0 -120 40 2

assign (resid 34 and name c)(resid 35 and name n)
       (resid 35 and name ca)(resid 35 and name c)    1.0 -60 25 2

assign (resid 35 and name c)(resid 36 and name n)
       (resid 36 and name ca)(resid 36 and name c)    1.0 50 40 2

assign (resid 36 and name c)(resid 37 and name n)
       (resid 37 and name ca)(resid 37 and name c)    1.0 -140 20 2 

assign (resid 37 and name c)(resid 38 and name n)
       (resid 38 and name ca)(resid 38 and name c)    1.0 -120 40 2

assign (resid 38 and name c)(resid 39 and name n)
       (resid 39 and name ca)(resid 39 and name c)    1.0 -60 35 2


!LINKER
assign (resid 39 and name c)(resid 40 and name n)
       (resid 40 and name ca)(resid 40 and name c)    1.0 -120 40 2

assign (resid 40 and name c)(resid 41 and name n)
       (resid 41 and name ca)(resid 41 and name c)    1.0 -100 65 2 

assign (resid 41 and name c)(resid 42 and name n)
       (resid 42 and name ca)(resid 42 and name c)    1.0 -100 65 2

assign (resid 42 and name c)(resid 43 and name n)
       (resid 43 and name ca)(resid 43 and name c)    1.0 -100 65 2

assign (resid 43 and name c)(resid 44 and name n)
       (resid 44 and name ca)(resid 44 and name c)    1.0 -60 25 2 


!EGF-B
assign (resid 44 and name c)(resid 45 and name n)
       (resid 45 and name ca)(resid 45 and name c)    1.0 -60 25 2

assign (resid 45 and name c)(resid 46 and name n)
       (resid 46 and name ca)(resid 46 and name c)    1.0 -60 25 2

assign (resid 46 and name c)(resid 47 and name n)
       (resid 47 and name ca)(resid 47 and name c)    1.0 -120 40 2

assign (resid 48 and name c)(resid 49 and name n)
       (resid 49 and name ca)(resid 49 and name c)    1.0 -120 40 2

assign (resid 49 and name c)(resid 50 and name n)
       (resid 50 and name ca)(resid 50 and name c)    1.0 -60 25 2

assign (resid 50 and name c)(resid 51 and name n)
       (resid 51 and name ca)(resid 51 and name c)    1.0 -120 40 2

assign (resid 52 and name c)(resid 53 and name n)
       (resid 53 and name ca)(resid 53 and name c)    1.0 -100 65 2

assign (resid 54 and name c)(resid 55 and name n)
       (resid 55 and name ca)(resid 55 and name c)    1.0 -120 40 2

assign (resid 55 and name c)(resid 56 and name n)
       (resid 56 and name ca)(resid 56 and name c)    1.0 -120 40 2

assign (resid 56 and name c)(resid 57 and name n)
       (resid 57 and name ca)(resid 57 and name c)    1.0 -60 25 2

assign (resid 58 and name c)(resid 59 and name n)
       (resid 59 and name ca)(resid 59 and name c)    1.0 -60 25 2

!dqf

assign (resid 59 and name c)(resid 60 and name n)
       (resid 60 and name ca)(resid 60 and name c)    1.0 50 40 2

assign (resid 60 and name c)(resid 61 and name n)
       (resid 61 and name ca)(resid 61 and name c)    1.0 -60 25 2

assign (resid 61 and name c)(resid 62 and name n)
       (resid 62 and name ca)(resid 62 and name c)    1.0 -100 65 2

assign (resid 62 and name c)(resid 63 and name n)
       (resid 63 and name ca)(resid 63 and name c)    1.0 -100 65 2

assign (resid 63 and name c)(resid 64 and name n)
       (resid 64 and name ca)(resid 64 and name c)    1.0 -120 40 2

assign (resid 64 and name c)(resid 65 and name n)
       (resid 65 and name ca)(resid 65 and name c)    1.0 -120 40 2

!dqf
assign (resid 65 and name c)(resid 66 and name n)
       (resid 66 and name ca)(resid 66 and name c)    1.0 -120 40 2 

assign (resid 66 and name c)(resid 67 and name n)
       (resid 67 and name ca)(resid 67 and name c)    1.0 -60 25 2

assign (resid 70 and name c)(resid 71 and name n)
       (resid 71 and name ca)(resid 71 and name c)    1.0 -120 40 2

assign (resid 71 and name c)(resid 72 and name n)
       (resid 72 and name ca)(resid 72 and name c)    1.0 -120 40 2

assign (resid 72 and name c)(resid 73 and name n)
       (resid 73 and name ca)(resid 73 and name c)    1.0 -60 25 2

assign (resid 75 and name c)(resid 76 and name n)
       (resid 76 and name ca)(resid 76 and name c)    1.0 -120 40 2

assign (resid 77 and name c)(resid 78 and name n)
       (resid 78 and name ca)(resid 78 and name c)    1.0 -120 40 2

assign (resid 78 and name c)(resid 79 and name n)
       (resid 79 and name ca)(resid 79 and name c)    1.0 -120 40 2

assign (resid 79 and name c)(resid 80 and name n)
       (resid 80 and name ca)(resid 80 and name c)    1.0 -120 40 2

assign (resid 80 and name c)(resid 81 and name n)
       (resid 81 and name ca)(resid 81 and name c)    1.0 -60 25 2


!chi angles

assign (resid 3 and name N ) (resid 3 and name CA)
       (resid 3 and name CB) (resid 3 and name CG)    1.0 180  30 2

assign (resid 14 and name N ) (resid 14 and name CA)
       (resid 14 and name CB) (resid 14 and name CG)    1.0 -60  30 2

assign (resid 17 and name N ) (resid 17 and name CA)
       (resid 17 and name CB) (resid 17 and name CG)    1.0 180  30 2

assign (resid 23 and name N ) (resid 23 and name CA)
       (resid 23 and name CB) (resid 23 and name CG)    1.0 -60	30 2

assign (resid 47 and name N ) (resid 47 and name CA)
       (resid 47 and name CB) (resid 47 and name CG)    1.0 180  30 2

assign (resid 8 and name N ) (resid 8 and name CA)
       (resid 8 and name CB) (resid 8 and name CG)    1.0 -60  30 2

assign (resid 66 and name N ) (resid 66 and name CA)
       (resid 66 and name CB) (resid 66 and name SG)    1.0 -60  30 2

assign (resid 27 and name N ) (resid 27 and name CA)
       (resid 27 and name CB) (resid 27 and name SG)    1.0 -60  30 2

assign (resid 62 and name N ) (resid 62 and name CA)
       (resid 62 and name CB) (resid 62 and name CG)    1.0 60  30 2

assign (resid 45 and name N ) (resid 45 and name CA)
       (resid 45 and name CB) (resid 45 and name SG)    1.0 -60  30 2

assign (resid 57 and name N ) (resid 57 and name CA)
       (resid 57 and name CB) (resid 57 and name CG)    1.0 180  30 2

assign (resid 73 and name N ) (resid 73 and name CA)
       (resid 73 and name CB) (resid 73 and name CG)	1.0 180  30 2

assign (resid 16 and name N ) (resid 16 and name CA)
       (resid 16 and name CB) (resid 16 and name SG)    1.0  60  30 2

assign (resid 51 and name N ) (resid 51 and name CA)
       (resid 51 and name CB) (resid 51 and name SG)    1.0  -60  30 2

end

  Entry H atom name         Submitted Coord H atom name
    1    H    GLY   1           H        GLY   1 -26.178  -3.585  -7.583
    2   1HA   GLY   1          2HA       GLY   1 -28.916  -3.881  -8.445
    3   2HA   GLY   1          1HA       GLY   1 -28.739  -4.280  -6.738
    4    H    THR   2           H        THR   2 -28.613  -2.641  -5.292
    5    HA   THR   2           HA       THR   2 -29.330  -0.020  -5.994
    6    HB   THR   2           HB       THR   2 -29.867  -1.095  -3.798
    7    HG1  THR   2           HG1      THR   2 -29.551   0.765  -2.672
    8   1HG2  THR   2          1HG2      THR   2 -28.113  -1.101  -2.056
    9   2HG2  THR   2          2HG2      THR   2 -27.524  -2.068  -3.406
   10   3HG2  THR   2          3HG2      THR   2 -26.952  -0.418  -3.181
   11    H    ASN   3           H        ASN   3 -27.880   1.750  -4.657
   12    HA   ASN   3           HA       ASN   3 -25.171   1.737  -5.908
   13   1HB   ASN   3          2HB       ASN   3 -26.917   3.343  -6.733
   14   2HB   ASN   3          1HB       ASN   3 -26.940   4.080  -5.151
   15   1HD2  ASN   3          1HD2      ASN   3 -26.238   6.016  -6.598
   16   2HD2  ASN   3          2HD2      ASN   3 -24.569   6.244  -6.803
   17    H    GLU   4           H        GLU   4 -24.431   0.568  -3.974
   18    HA   GLU   4           HA       GLU   4 -24.684   1.550  -1.319
   19   1HB   GLU   4          2HB       GLU   4 -22.242   0.016  -2.237
   20   2HB   GLU   4          1HB       GLU   4 -23.054   0.022  -0.697
   21   1HG   GLU   4          2HG       GLU   4 -23.523  -2.095  -1.606
   22   2HG   GLU   4          1HG       GLU   4 -25.008  -1.178  -1.791
   23    H    CYS   5           H        CYS   5 -22.967   2.837  -3.898
   24    HA   CYS   5           HA       CYS   5 -20.582   3.692  -2.710
   25   1HB   CYS   5          2HB       CYS   5 -22.199   4.988  -4.909
   26   2HB   CYS   5          1HB       CYS   5 -20.518   5.256  -4.597
   27    H    LEU   6           H        LEU   6 -23.695   5.062  -3.012
   28    HA   LEU   6           HA       LEU   6 -23.487   7.662  -2.146
   29   1HB   LEU   6          2HB       LEU   6 -25.694   5.681  -1.511
   30   2HB   LEU   6          1HB       LEU   6 -25.860   7.423  -1.516
   31    HG   LEU   6           HG       LEU   6 -25.118   5.703  -3.932
   32   1HD1  LEU   6          1HD1      LEU   6 -27.676   7.215  -3.240
   33   2HD1  LEU   6          2HD1      LEU   6 -27.389   6.351  -4.744
   34   3HD1  LEU   6          3HD1      LEU   6 -27.483   5.468  -3.228
   35   1HD2  LEU   6          1HD2      LEU   6 -24.125   8.014  -4.089
   36   2HD2  LEU   6          2HD2      LEU   6 -25.705   8.710  -3.776
   37   3HD2  LEU   6          3HD2      LEU   6 -25.412   7.814  -5.254
   38    H    ASP   7           H        ASP   7 -23.954   4.801  -0.171
   39    HA   ASP   7           HA       ASP   7 -23.431   6.315   2.359
   40   1HB   ASP   7          2HB       ASP   7 -25.476   4.753   2.091
   41   2HB   ASP   7          1HB       ASP   7 -24.321   3.445   1.895
   42    H    ASN   8           H        ASN   8 -22.382   4.123   3.713
   43    HA   ASN   8           HA       ASN   8 -19.657   4.280   3.365
   44   1HB   ASN   8          2HB       ASN   8 -21.256   1.997   4.256
   45   2HB   ASN   8          1HB       ASN   8 -19.550   2.165   4.612
   46   1HD2  ASN   8          1HD2      ASN   8 -18.933   4.093   5.959
   47   2HD2  ASN   8          2HD2      ASN   8 -20.056   4.729   7.062
   48    H    ASN   9           H        ASN   9 -18.452   3.720   1.621
   49    HA   ASN   9           HA       ASN   9 -19.230   2.660  -0.766
   50   1HB   ASN   9          2HB       ASN   9 -17.071   3.698  -0.273
   51   2HB   ASN   9          1HB       ASN   9 -16.626   2.261   0.650
   52   1HD2  ASN   9          1HD2      ASN   9 -16.111   0.361  -0.394
   53   2HD2  ASN   9          2HD2      ASN   9 -15.694   0.314  -2.025
   54    H    GLY  10           H        GLY  10 -20.710   0.942  -0.512
   55   1HA   GLY  10          2HA       GLY  10 -21.359  -1.298  -0.502
   56   2HA   GLY  10          1HA       GLY  10 -19.683  -1.640  -0.875
   57    H    GLY  11           H        GLY  11 -19.822   0.083   1.931
   58   1HA   GLY  11          2HA       GLY  11 -20.602  -1.008   4.152
   59   2HA   GLY  11          1HA       GLY  11 -19.498  -2.301   3.674
   60    H    CYS  12           H        CYS  12 -17.588  -0.499   2.428
   61    HA   CYS  12           HA       CYS  12 -16.267   0.588   4.847
   62   1HB   CYS  12          2HB       CYS  12 -14.261   0.214   3.620
   63   2HB   CYS  12          1HB       CYS  12 -15.229  -1.242   3.539
   64    H    SER  13           H        SER  13 -14.538   1.783   2.491
   65    HA   SER  13           HA       SER  13 -16.096   4.012   1.483
   66   1HB   SER  13          2HB       SER  13 -14.801   5.749   2.698
   67   2HB   SER  13          1HB       SER  13 -15.679   4.706   3.826
   68    HG   SER  13           HG       SER  13 -12.968   4.418   3.010
   69    H    HIS  14           H        HIS  14 -14.614   1.869   0.492
   70    HA   HIS  14           HA       HIS  14 -12.251   3.080  -0.843
   71   1HB   HIS  14          2HB       HIS  14 -13.036   0.189  -0.349
   72   2HB   HIS  14          1HB       HIS  14 -11.592   0.727  -1.165
   73    HD1  HIS  14           HD1      HIS  14 -12.554  -0.236   2.057
   74    HD2  HIS  14           HD2      HIS  14 -10.114   2.730   0.677
   75    HE1  HIS  14           HE1      HIS  14 -11.130   0.428   3.956
   76    H    VAL  15           H        VAL  15 -13.500   0.214  -2.268
   77    HA   VAL  15           HA       VAL  15 -14.613   1.766  -4.579
   78    HB   VAL  15           HB       VAL  15 -13.230  -0.923  -4.568
   79   1HG1  VAL  15          1HG1      VAL  15 -14.394   0.647  -6.930
   80   2HG1  VAL  15          2HG1      VAL  15 -15.036  -0.857  -6.303
   81   3HG1  VAL  15          3HG1      VAL  15 -13.464  -0.835  -7.067
   82   1HG2  VAL  15          1HG2      VAL  15 -12.422   1.749  -5.751
   83   2HG2  VAL  15          2HG2      VAL  15 -11.546   0.235  -5.936
   84   3HG2  VAL  15          3HG2      VAL  15 -11.694   0.978  -4.345
   85    H    CYS  16           H        CYS  16 -16.698   1.693  -4.465
   86    HA   CYS  16           HA       CYS  16 -18.237  -0.537  -3.402
   87   1HB   CYS  16          2HB       CYS  16 -20.127   0.962  -4.099
   88   2HB   CYS  16          1HB       CYS  16 -18.979   1.765  -3.067
   89    H    ASN  17           H        ASN  17 -17.359  -2.201  -4.801
   90    HA   ASN  17           HA       ASN  17 -17.981  -1.947  -7.690
   91   1HB   ASN  17          2HB       ASN  17 -15.806  -2.657  -7.199
   92   2HB   ASN  17          1HB       ASN  17 -16.277  -3.789  -5.976
   93   1HD2  ASN  17          1HD2      ASN  17 -16.747  -5.898  -6.725
   94   2HD2  ASN  17          2HD2      ASN  17 -16.760  -6.357  -8.354
   95    H    ASP  18           H        ASP  18 -19.940  -1.957  -7.616
   96    HA   ASP  18           HA       ASP  18 -21.897  -3.332  -6.231
   97   1HB   ASP  18          2HB       ASP  18 -22.242  -1.340  -7.677
   98   2HB   ASP  18          1HB       ASP  18 -22.069  -2.348  -9.095
   99    H    LEU  19           H        LEU  19 -21.328  -5.471  -5.997
  100    HA   LEU  19           HA       LEU  19 -21.100  -7.367  -8.091
  101   1HB   LEU  19          2HB       LEU  19 -20.369  -7.391  -5.551
  102   2HB   LEU  19          1HB       LEU  19 -22.030  -7.794  -5.245
  103    HG   LEU  19           HG       LEU  19 -21.873  -9.848  -6.610
  104   1HD1  LEU  19          1HD1      LEU  19 -18.953  -9.028  -6.728
  105   2HD1  LEU  19          2HD1      LEU  19 -20.031  -9.024  -8.109
  106   3HD1  LEU  19          3HD1      LEU  19 -19.604 -10.543  -7.346
  107   1HD2  LEU  19          1HD2      LEU  19 -20.496 -11.052  -4.946
  108   2HD2  LEU  19          2HD2      LEU  19 -21.500  -9.835  -4.191
  109   3HD2  LEU  19          3HD2      LEU  19 -19.790  -9.525  -4.422
  110    H    LYS  20           H        LYS  20 -22.770  -9.269  -8.117
  111    HA   LYS  20           HA       LYS  20 -25.349  -8.143  -8.806
  112   1HB   LYS  20          2HB       LYS  20 -25.944 -10.506  -9.315
  113   2HB   LYS  20          1HB       LYS  20 -24.383 -10.097  -9.999
  114   1HG   LYS  20          2HG       LYS  20 -23.247 -11.231  -8.070
  115   2HG   LYS  20          1HG       LYS  20 -24.820 -11.686  -7.430
  116   1HD   LYS  20          2HD       LYS  20 -25.338 -12.943  -9.490
  117   2HD   LYS  20          1HD       LYS  20 -23.768 -12.515 -10.153
  118   1HE   LYS  20          2HE       LYS  20 -22.649 -13.684  -8.256
  119   2HE   LYS  20          1HE       LYS  20 -24.221 -14.112  -7.593
  120   1HZ   LYS  20          1HZ       LYS  20 -24.701 -15.318  -9.631
  121   2HZ   LYS  20          2HZ       LYS  20 -23.313 -15.916  -8.857
  122   3HZ   LYS  20          3HZ       LYS  20 -23.160 -14.932 -10.234
  123    H    ILE  21           H        ILE  21 -24.088 -10.209  -6.216
  124    HA   ILE  21           HA       ILE  21 -26.116  -9.267  -4.321
  125    HB   ILE  21           HB       ILE  21 -25.527 -12.187  -4.994
  126   1HG1  ILE  21          2HG1      ILE  21 -28.124 -10.599  -5.297
  127   2HG1  ILE  21          1HG1      ILE  21 -27.105 -11.148  -6.613
  128   1HG2  ILE  21          1HG2      ILE  21 -27.313 -10.987  -2.841
  129   2HG2  ILE  21          2HG2      ILE  21 -25.794 -11.830  -2.566
  130   3HG2  ILE  21          3HG2      ILE  21 -27.175 -12.710  -3.184
  131   1HD1  ILE  21          1HD1      ILE  21 -27.523 -13.503  -6.014
  132   2HD1  ILE  21          2HD1      ILE  21 -29.019 -12.648  -6.355
  133   3HD1  ILE  21          3HD1      ILE  21 -28.573 -12.998  -4.698
  134    H    GLY  22           H        GLY  22 -24.829  -8.505  -2.708
  135   1HA   GLY  22          2HA       GLY  22 -23.397  -8.736  -0.867
  136   2HA   GLY  22          1HA       GLY  22 -22.692 -10.131  -1.646
  137    H    TYR  23           H        TYR  23 -23.196  -6.856  -2.563
  138    HA   TYR  23           HA       TYR  23 -21.243  -6.065  -4.224
  139   1HB   TYR  23          2HB       TYR  23 -21.878  -4.374  -1.834
  140   2HB   TYR  23          1HB       TYR  23 -21.429  -3.849  -3.438
  141    HD1  TYR  23           HD1      TYR  23 -23.004  -4.840  -5.407
  142    HD2  TYR  23           HD2      TYR  23 -24.171  -4.366  -1.361
  143    HE1  TYR  23           HE1      TYR  23 -25.343  -4.805  -6.097
  144    HE2  TYR  23           HE2      TYR  23 -26.531  -4.327  -2.044
  145    HH   TYR  23           HH       TYR  23 -27.514  -3.832  -5.160
  146    H    GLU  24           H        GLU  24 -19.245  -5.047  -4.180
  147    HA   GLU  24           HA       GLU  24 -17.475  -5.962  -2.005
  148   1HB   GLU  24          2HB       GLU  24 -16.879  -5.342  -4.878
  149   2HB   GLU  24          1HB       GLU  24 -15.741  -5.925  -3.695
  150   1HG   GLU  24          2HG       GLU  24 -17.306  -7.890  -3.326
  151   2HG   GLU  24          1HG       GLU  24 -18.242  -7.266  -4.686
  152    H    CYS  25           H        CYS  25 -15.643  -4.985  -1.605
  153    HA   CYS  25           HA       CYS  25 -15.505  -2.089  -1.650
  154   1HB   CYS  25          2HB       CYS  25 -16.087  -2.799   0.629
  155   2HB   CYS  25          1HB       CYS  25 -14.868  -4.053   0.587
  156    H    LEU  26           H        LEU  26 -14.264  -2.801  -3.704
  157    HA   LEU  26           HA       LEU  26 -11.748  -4.187  -3.330
  158   1HB   LEU  26          2HB       LEU  26 -12.441  -2.432  -5.713
  159   2HB   LEU  26          1HB       LEU  26 -11.407  -3.808  -5.621
  160    HG   LEU  26           HG       LEU  26 -14.391  -4.019  -5.280
  161   1HD1  LEU  26          1HD1      LEU  26 -13.801  -3.528  -7.628
  162   2HD1  LEU  26          2HD1      LEU  26 -14.332  -5.193  -7.477
  163   3HD1  LEU  26          3HD1      LEU  26 -12.629  -4.835  -7.630
  164   1HD2  LEU  26          1HD2      LEU  26 -12.302  -6.213  -5.433
  165   2HD2  LEU  26          2HD2      LEU  26 -14.044  -6.445  -5.398
  166   3HD2  LEU  26          3HD2      LEU  26 -13.227  -5.767  -4.003
  167    H    CYS  27           H        CYS  27  -9.924  -2.858  -4.624
  168    HA   CYS  27           HA       CYS  27  -9.188  -0.701  -2.803
  169   1HB   CYS  27          2HB       CYS  27  -7.634  -2.229  -4.866
  170   2HB   CYS  27          1HB       CYS  27  -6.957  -1.078  -3.738
  171    HA   PRO  28           HA       PRO  28 -10.073   2.556  -5.732
  172   1HB   PRO  28          2HB       PRO  28  -8.476   4.483  -4.520
  173   2HB   PRO  28          1HB       PRO  28 -10.095   4.089  -4.048
  174   1HG   PRO  28          2HG       PRO  28  -7.548   3.239  -2.808
  175   2HG   PRO  28          1HG       PRO  28  -9.094   3.640  -2.052
  176   1HD   PRO  28          2HD       PRO  28  -8.221   1.111  -2.380
  177   2HD   PRO  28          1HD       PRO  28  -9.942   1.541  -2.360
  178    H    ASP  29           H        ASP  29  -6.833   2.584  -4.473
  179    HA   ASP  29           HA       ASP  29  -5.619   3.363  -6.997
  180   1HB   ASP  29          2HB       ASP  29  -3.545   3.329  -5.709
  181   2HB   ASP  29          1HB       ASP  29  -4.777   4.146  -4.790
  182    H    GLY  30           H        GLY  30  -3.451   2.102  -7.353
  183   1HA   GLY  30          2HA       GLY  30  -4.042  -0.233  -8.720
  184   2HA   GLY  30          1HA       GLY  30  -2.428   0.283  -8.314
  185    H    PHE  31           H        PHE  31  -3.000  -0.021  -5.359
  186    HA   PHE  31           HA       PHE  31  -1.936  -2.601  -4.982
  187   1HB   PHE  31          2HB       PHE  31  -3.524  -0.820  -3.132
  188   2HB   PHE  31          1HB       PHE  31  -2.649  -2.232  -2.619
  189    HD1  PHE  31           HD1      PHE  31  -0.955  -0.616  -5.444
  190    HD2  PHE  31           HD2      PHE  31  -1.387  -0.468  -1.179
  191    HE1  PHE  31           HE1      PHE  31   1.077   0.608  -5.300
  192    HE2  PHE  31           HE2      PHE  31   0.699   0.752  -1.067
  193    HZ   PHE  31           HZ       PHE  31   1.935   1.286  -3.166
  194    H    GLN  32           H        GLN  32  -2.821  -4.279  -3.597
  195    HA   GLN  32           HA       GLN  32  -5.329  -5.323  -4.760
  196   1HB   GLN  32          2HB       GLN  32  -3.060  -6.637  -3.246
  197   2HB   GLN  32          1HB       GLN  32  -4.442  -7.473  -3.909
  198   1HG   GLN  32          2HG       GLN  32  -3.806  -6.705  -6.206
  199   2HG   GLN  32          1HG       GLN  32  -2.429  -5.842  -5.536
  200   1HE2  GLN  32          1HE2      GLN  32  -3.556  -8.938  -6.601
  201   2HE2  GLN  32          2HE2      GLN  32  -2.161  -9.817  -6.198
  202    H    LEU  33           H        LEU  33  -6.900  -6.334  -3.475
  203    HA   LEU  33           HA       LEU  33  -7.265  -5.062  -0.828
  204   1HB   LEU  33          2HB       LEU  33  -9.141  -5.454  -2.639
  205   2HB   LEU  33          1HB       LEU  33  -9.052  -7.147  -2.224
  206    HG   LEU  33           HG       LEU  33  -9.529  -6.467   0.201
  207   1HD1  LEU  33          1HD1      LEU  33 -10.162  -3.799  -1.135
  208   2HD1  LEU  33          2HD1      LEU  33  -8.864  -4.079   0.012
  209   3HD1  LEU  33          3HD1      LEU  33 -10.531  -4.191   0.532
  210   1HD2  LEU  33          1HD2      LEU  33 -11.649  -5.778  -1.865
  211   2HD2  LEU  33          2HD2      LEU  33 -11.962  -6.135  -0.179
  212   3HD2  LEU  33          3HD2      LEU  33 -11.313  -7.382  -1.231
  213    H    VAL  34           H        VAL  34  -5.539  -6.018   0.224
  214    HA   VAL  34           HA       VAL  34  -5.124  -8.897   0.238
  215    HB   VAL  34           HB       VAL  34  -3.807  -6.678   1.855
  216   1HG1  VAL  34          1HG1      VAL  34  -2.924  -9.568   1.419
  217   2HG1  VAL  34          2HG1      VAL  34  -1.995  -8.334   2.255
  218   3HG1  VAL  34          3HG1      VAL  34  -3.497  -8.913   2.944
  219   1HG2  VAL  34          1HG2      VAL  34  -3.472  -6.461  -0.602
  220   2HG2  VAL  34          2HG2      VAL  34  -1.977  -6.917   0.187
  221   3HG2  VAL  34          3HG2      VAL  34  -2.915  -8.123  -0.679
  222    H    ALA  35           H        ALA  35  -5.351  -6.897   3.137
  223    HA   ALA  35           HA       ALA  35  -6.407  -9.084   4.620
  224   1HB   ALA  35          1HB       ALA  35  -6.159  -7.515   6.559
  225   2HB   ALA  35          2HB       ALA  35  -5.702  -6.255   5.430
  226   3HB   ALA  35          3HB       ALA  35  -4.701  -7.677   5.596
  227    H    GLN  36           H        GLN  36  -8.244  -9.002   3.144
  228    HA   GLN  36           HA       GLN  36 -10.529  -9.018   2.853
  229   1HB   GLN  36          2HB       GLN  36 -10.625  -7.806   5.648
  230   2HB   GLN  36          1HB       GLN  36 -11.982  -8.491   4.790
  231   1HG   GLN  36          2HG       GLN  36 -10.835 -10.698   4.673
  232   2HG   GLN  36          1HG       GLN  36  -9.454 -10.037   5.537
  233   1HE2  GLN  36          1HE2      GLN  36 -11.074 -11.709   6.245
  234   2HE2  GLN  36          2HE2      GLN  36 -11.569 -12.493   7.127
  235    H    ARG  37           H        ARG  37 -10.172  -5.985   4.685
  236    HA   ARG  37           HA       ARG  37 -11.526  -4.556   2.419
  237   1HB   ARG  37          2HB       ARG  37 -11.642  -3.889   5.382
  238   2HB   ARG  37          1HB       ARG  37 -12.509  -3.064   4.104
  239   1HG   ARG  37          2HG       ARG  37 -12.933  -5.967   4.942
  240   2HG   ARG  37          1HG       ARG  37 -13.990  -4.628   5.329
  241   1HD   ARG  37          2HD       ARG  37 -14.443  -4.274   2.909
  242   2HD   ARG  37          1HD       ARG  37 -13.416  -5.645   2.506
  243    HE   ARG  37           HE       ARG  37 -16.100  -5.761   3.654
  244   1HH1  ARG  37          1HH1      ARG  37 -13.093  -7.419   3.174
  245   2HH1  ARG  37          2HH1      ARG  37 -13.799  -8.985   3.370
  246   1HH2  ARG  37          1HH2      ARG  37 -17.011  -7.734   3.903
  247   2HH2  ARG  37          2HH2      ARG  37 -16.050  -9.169   3.788
  248    H    ARG  38           H        ARG  38  -8.699  -4.959   3.987
  249    HA   ARG  38           HA       ARG  38  -7.789  -2.130   3.722
  250   1HB   ARG  38          2HB       ARG  38  -7.355  -3.264   5.875
  251   2HB   ARG  38          1HB       ARG  38  -6.491  -4.532   5.039
  252   1HG   ARG  38          2HG       ARG  38  -4.810  -2.858   4.228
  253   2HG   ARG  38          1HG       ARG  38  -5.685  -1.586   5.058
  254   1HD   ARG  38          2HD       ARG  38  -4.395  -4.013   6.401
  255   2HD   ARG  38          1HD       ARG  38  -3.739  -2.386   6.414
  256    HE   ARG  38           HE       ARG  38  -5.955  -3.375   8.032
  257   1HH1  ARG  38          2HH1      ARG  38  -6.554  -0.302   9.391
  258   2HH1  ARG  38          1HH1      ARG  38  -6.855  -2.005   9.483
  259   1HH2  ARG  38          2HH2      ARG  38  -5.193   0.514   7.731
  260   2HH2  ARG  38          1HH2      ARG  38  -4.491  -0.579   6.588
  261    H    CYS  39           H        CYS  39  -6.741  -1.578   2.028
  262    HA   CYS  39           HA       CYS  39  -5.728  -3.583   0.132
  263   1HB   CYS  39          2HB       CYS  39  -6.179  -0.618  -0.112
  264   2HB   CYS  39          1HB       CYS  39  -5.598  -1.635  -1.411
  265    H    GLU  40           H        GLU  40  -3.717  -3.808  -0.544
  266    HA   GLU  40           HA       GLU  40  -1.627  -1.889   0.058
  267   1HB   GLU  40          2HB       GLU  40  -1.896  -3.143   2.224
  268   2HB   GLU  40          1HB       GLU  40  -1.465  -4.620   1.375
  269   1HG   GLU  40          2HG       GLU  40   0.708  -3.608   0.701
  270   2HG   GLU  40          1HG       GLU  40   0.260  -2.103   1.465
  271    H    ASP  41           H        ASP  41   0.364  -2.479  -0.820
  272    HA   ASP  41           HA       ASP  41   0.274  -4.236  -3.194
  273   1HB   ASP  41          2HB       ASP  41   0.663  -1.940  -3.527
  274   2HB   ASP  41          1HB       ASP  41   1.994  -1.875  -2.409
  275    H    ILE  42           H        ILE  42   2.372  -5.061  -3.827
  276    HA   ILE  42           HA       ILE  42   3.386  -6.805  -1.829
  277    HB   ILE  42           HB       ILE  42   3.390  -7.377  -4.287
  278   1HG1  ILE  42          2HG1      ILE  42   6.223  -7.321  -3.114
  279   2HG1  ILE  42          1HG1      ILE  42   5.012  -8.525  -2.726
  280   1HG2  ILE  42          1HG2      ILE  42   5.589  -5.258  -4.493
  281   2HG2  ILE  42          2HG2      ILE  42   3.970  -5.101  -5.147
  282   3HG2  ILE  42          3HG2      ILE  42   5.063  -6.294  -5.803
  283   1HD1  ILE  42          1HD1      ILE  42   6.587  -9.361  -4.434
  284   2HD1  ILE  42          2HD1      ILE  42   6.201  -8.026  -5.498
  285   3HD1  ILE  42          3HD1      ILE  42   4.975  -9.228  -5.121
  286    H    ASP  43           H        ASP  43   5.757  -6.772  -1.099
  287    HA   ASP  43           HA       ASP  43   6.683  -3.950  -0.670
  288   1HB   ASP  43          2HB       ASP  43   6.123  -5.477   1.293
  289   2HB   ASP  43          1HB       ASP  43   7.485  -6.476   0.827
  290    H    GLU  44           H        GLU  44   8.152  -3.351  -2.016
  291    HA   GLU  44           HA       GLU  44   9.740  -5.151  -3.606
  292   1HB   GLU  44          2HB       GLU  44  10.153  -2.179  -3.169
  293   2HB   GLU  44          1HB       GLU  44  10.736  -3.139  -4.509
  294   1HG   GLU  44          2HG       GLU  44   8.879  -1.864  -5.218
  295   2HG   GLU  44          1HG       GLU  44   8.390  -3.545  -5.256
  296    H    CYS  45           H        CYS  45  10.213  -3.420  -0.593
  297    HA   CYS  45           HA       CYS  45  13.035  -3.527  -0.586
  298   1HB   CYS  45          2HB       CYS  45  11.051  -3.241   1.684
  299   2HB   CYS  45          1HB       CYS  45  12.747  -3.130   1.879
  300    H    GLN  46           H        GLN  46  10.823  -5.159   1.485
  301    HA   GLN  46           HA       GLN  46  12.358  -7.076   2.691
  302   1HB   GLN  46          2HB       GLN  46   9.493  -7.313   1.695
  303   2HB   GLN  46          1HB       GLN  46  10.213  -8.401   2.853
  304   1HG   GLN  46          2HG       GLN  46   9.942  -5.385   3.252
  305   2HG   GLN  46          1HG       GLN  46   8.880  -6.584   3.975
  306   1HE2  GLN  46          1HE2      GLN  46  10.041  -8.242   5.420
  307   2HE2  GLN  46          2HE2      GLN  46  11.371  -7.694   6.322
  308    H    ASP  47           H        ASP  47  10.809  -7.329  -0.441
  309    HA   ASP  47           HA       ASP  47  11.788  -9.956  -0.960
  310   1HB   ASP  47          2HB       ASP  47   9.656  -9.169  -1.956
  311   2HB   ASP  47          1HB       ASP  47  10.512  -7.897  -2.811
  312    HA   PRO  48           HA       PRO  48  15.741  -8.385  -2.401
  313   1HB   PRO  48          2HB       PRO  48  16.715 -10.625  -3.630
  314   2HB   PRO  48          1HB       PRO  48  16.600 -10.500  -1.893
  315   1HG   PRO  48          2HG       PRO  48  14.712 -11.843  -3.784
  316   2HG   PRO  48          1HG       PRO  48  15.337 -12.417  -2.228
  317   1HD   PRO  48          2HD       PRO  48  12.880 -11.326  -2.504
  318   2HD   PRO  48          1HD       PRO  48  13.833 -11.172  -1.017
  319    H    ASP  49           H        ASP  49  14.711  -6.900  -3.765
  320    HA   ASP  49           HA       ASP  49  15.008  -7.496  -6.651
  321   1HB   ASP  49          2HB       ASP  49  12.621  -7.790  -6.144
  322   2HB   ASP  49          1HB       ASP  49  12.577  -6.239  -5.324
  323    H    THR  50           H        THR  50  14.555  -5.073  -4.140
  324    HA   THR  50           HA       THR  50  15.382  -2.852  -5.789
  325    HB   THR  50           HB       THR  50  15.263  -1.658  -3.503
  326    HG1  THR  50           HG1      THR  50  14.431  -4.243  -2.703
  327   1HG2  THR  50          1HG2      THR  50  12.918  -3.513  -4.152
  328   2HG2  THR  50          2HG2      THR  50  13.190  -1.975  -4.936
  329   3HG2  THR  50          3HG2      THR  50  12.818  -2.026  -3.219
  330    H    CYS  51           H        CYS  51  16.960  -2.918  -2.704
  331    HA   CYS  51           HA       CYS  51  19.583  -3.147  -4.085
  332   1HB   CYS  51          2HB       CYS  51  18.630  -1.580  -1.706
  333   2HB   CYS  51          1HB       CYS  51  20.299  -1.701  -2.176
  334    H    SER  52           H        SER  52  21.386  -3.746  -2.624
  335    HA   SER  52           HA       SER  52  21.305  -6.391  -1.887
  336   1HB   SER  52          2HB       SER  52  23.408  -5.119  -2.208
  337   2HB   SER  52          1HB       SER  52  23.118  -4.251  -0.691
  338    HG   SER  52           HG       SER  52  23.185  -7.072  -0.918
  339    H    GLN  53           H        GLN  53  21.384  -3.827   0.542
  340    HA   GLN  53           HA       GLN  53  20.108  -5.735   2.471
  341   1HB   GLN  53          2HB       GLN  53  21.898  -3.349   3.040
  342   2HB   GLN  53          1HB       GLN  53  21.209  -4.441   4.236
  343   1HG   GLN  53          2HG       GLN  53  23.100  -5.263   2.018
  344   2HG   GLN  53          1HG       GLN  53  23.570  -5.020   3.695
  345   1HE2  GLN  53          1HE2      GLN  53  22.321  -7.288   1.439
  346   2HE2  GLN  53          2HE2      GLN  53  21.941  -8.522   2.541
  347    H    LEU  54           H        LEU  54  20.217  -2.639   3.792
  348    HA   LEU  54           HA       LEU  54  17.475  -2.538   4.074
  349   1HB   LEU  54          2HB       LEU  54  19.605  -0.418   4.345
  350   2HB   LEU  54          1HB       LEU  54  17.920  -0.064   4.653
  351    HG   LEU  54           HG       LEU  54  19.386  -2.213   6.163
  352   1HD1  LEU  54          1HD1      LEU  54  18.382   0.577   6.843
  353   2HD1  LEU  54          2HD1      LEU  54  20.073   0.155   6.642
  354   3HD1  LEU  54          3HD1      LEU  54  19.153  -0.541   7.969
  355   1HD2  LEU  54          1HD2      LEU  54  16.845  -2.462   5.890
  356   2HD2  LEU  54          2HD2      LEU  54  16.686  -0.812   6.464
  357   3HD2  LEU  54          3HD2      LEU  54  17.321  -2.062   7.530
  358    H    CYS  55           H        CYS  55  16.103  -1.114   3.811
  359    HA   CYS  55           HA       CYS  55  15.838   0.630   1.488
  360   1HB   CYS  55          2HB       CYS  55  15.645  -1.604   0.461
  361   2HB   CYS  55          1HB       CYS  55  14.457  -2.078   1.597
  362    H    VAL  56           H        VAL  56  13.209   0.986   1.326
  363    HA   VAL  56           HA       VAL  56  11.862   1.002   3.913
  364    HB   VAL  56           HB       VAL  56  13.337   2.946   4.214
  365   1HG1  VAL  56          1HG1      VAL  56  13.873   3.522   1.874
  366   2HG1  VAL  56          2HG1      VAL  56  13.304   4.927   2.746
  367   3HG1  VAL  56          3HG1      VAL  56  12.246   4.121   1.611
  368   1HG2  VAL  56          1HG2      VAL  56  10.499   3.842   3.590
  369   2HG2  VAL  56          2HG2      VAL  56  11.652   4.735   4.566
  370   3HG2  VAL  56          3HG2      VAL  56  11.069   3.171   5.108
  371    H    ASN  57           H        ASN  57  10.230   0.001   3.055
  372    HA   ASN  57           HA       ASN  57   8.945   0.763   0.543
  373   1HB   ASN  57          2HB       ASN  57   9.236  -1.616   1.150
  374   2HB   ASN  57          1HB       ASN  57   8.246  -1.362   2.579
  375   1HD2  ASN  57          1HD2      ASN  57   6.364  -2.514   2.175
  376   2HD2  ASN  57          2HD2      ASN  57   5.419  -2.352   0.774
  377    H    LEU  58           H        LEU  58   6.787   0.966   0.322
  378    HA   LEU  58           HA       LEU  58   4.761   1.671   2.193
  379   1HB   LEU  58          2HB       LEU  58   4.592   4.101   1.892
  380   2HB   LEU  58          1HB       LEU  58   6.116   3.715   2.608
  381    HG   LEU  58           HG       LEU  58   5.869   4.278  -0.376
  382   1HD1  LEU  58          1HD1      LEU  58   6.692   6.558   0.216
  383   2HD1  LEU  58          2HD1      LEU  58   6.642   6.156   1.925
  384   3HD1  LEU  58          3HD1      LEU  58   5.152   6.267   1.003
  385   1HD2  LEU  58          1HD2      LEU  58   8.297   4.709  -0.099
  386   2HD2  LEU  58          2HD2      LEU  58   7.915   3.079   0.395
  387   3HD2  LEU  58          3HD2      LEU  58   8.189   4.323   1.603
  388    H    GLU  59           H        GLU  59   3.595   3.614   0.518
  389    HA   GLU  59           HA       GLU  59   2.407   1.827  -1.383
  390   1HB   GLU  59          2HB       GLU  59   1.076   3.640  -0.165
  391   2HB   GLU  59          1HB       GLU  59   1.945   4.852  -1.081
  392   1HG   GLU  59          2HG       GLU  59   0.865   3.828  -3.254
  393   2HG   GLU  59          1HG       GLU  59  -0.068   2.805  -2.203
  394    H    GLY  60           H        GLY  60   4.090   1.239  -2.607
  395   1HA   GLY  60          2HA       GLY  60   5.327   1.130  -4.514
  396   2HA   GLY  60          1HA       GLY  60   4.185   2.294  -5.157
  397    H    GLY  61           H        GLY  61   5.352   3.756  -2.562
  398   1HA   GLY  61          2HA       GLY  61   7.241   5.430  -4.088
  399   2HA   GLY  61          1HA       GLY  61   6.639   5.742  -2.458
  400    H    TYR  62           H        TYR  62   7.595   2.661  -2.596
  401    HA   TYR  62           HA       TYR  62   9.567   2.629  -0.702
  402   1HB   TYR  62          2HB       TYR  62  10.238   0.425  -1.488
  403   2HB   TYR  62          1HB       TYR  62   8.518   0.602  -1.792
  404    HD1  TYR  62           HD1      TYR  62   7.745   1.190  -4.168
  405    HD2  TYR  62           HD2      TYR  62  11.783   0.201  -3.267
  406    HE1  TYR  62           HE1      TYR  62   8.199   0.832  -6.548
  407    HE2  TYR  62           HE2      TYR  62  12.239  -0.157  -5.633
  408    HH   TYR  62           HH       TYR  62  10.713  -0.824  -7.714
  409    H    LYS  63           H        LYS  63  11.726   2.973  -0.462
  410    HA   LYS  63           HA       LYS  63  13.348   3.546  -2.856
  411   1HB   LYS  63          2HB       LYS  63  13.389   5.064  -0.253
  412   2HB   LYS  63          1HB       LYS  63  14.365   5.317  -1.649
  413   1HG   LYS  63          2HG       LYS  63  12.339   5.926  -3.002
  414   2HG   LYS  63          1HG       LYS  63  11.362   5.678  -1.561
  415   1HD   LYS  63          2HD       LYS  63  12.548   7.477  -0.377
  416   2HD   LYS  63          1HD       LYS  63  13.565   7.749  -1.783
  417   1HE   LYS  63          2HE       LYS  63  11.550   8.319  -3.137
  418   2HE   LYS  63          1HE       LYS  63  10.527   8.037  -1.733
  419   1HZ   LYS  63          1HZ       LYS  63  11.630  10.393  -2.425
  420   2HZ   LYS  63          2HZ       LYS  63  12.692   9.845  -1.219
  421   3HZ   LYS  63          3HZ       LYS  63  11.035  10.000  -0.884
  422    H    CYS  64           H        CYS  64  15.542   3.242  -2.464
  423    HA   CYS  64           HA       CYS  64  16.115   1.016  -0.656
  424   1HB   CYS  64          2HB       CYS  64  17.788   2.527  -2.628
  425   2HB   CYS  64          1HB       CYS  64  18.427   1.279  -1.631
  426    H    GLN  65           H        GLN  65  18.041   0.999   0.544
  427    HA   GLN  65           HA       GLN  65  19.146   3.481   1.701
  428   1HB   GLN  65          2HB       GLN  65  17.956   1.335   3.436
  429   2HB   GLN  65          1HB       GLN  65  18.693   2.800   4.008
  430   1HG   GLN  65          2HG       GLN  65  16.890   4.160   2.911
  431   2HG   GLN  65          1HG       GLN  65  16.060   2.672   2.483
  432   1HE2  GLN  65          1HE2      GLN  65  16.601   1.212   4.956
  433   2HE2  GLN  65          2HE2      GLN  65  15.714   1.977   6.184
  434    H    CYS  66           H        CYS  66  20.591   2.272   3.694
  435    HA   CYS  66           HA       CYS  66  22.030   0.013   2.457
  436   1HB   CYS  66          2HB       CYS  66  23.321   2.444   3.597
  437   2HB   CYS  66          1HB       CYS  66  24.052   1.095   2.977
  438    H    GLU  67           H        GLU  67  23.271  -1.139   3.833
  439    HA   GLU  67           HA       GLU  67  22.329  -1.201   6.637
  440   1HB   GLU  67          2HB       GLU  67  22.596  -3.272   5.167
  441   2HB   GLU  67          1HB       GLU  67  24.322  -3.063   5.237
  442   1HG   GLU  67          2HG       GLU  67  22.467  -3.577   7.609
  443   2HG   GLU  67          1HG       GLU  67  23.537  -4.751   6.884
  444    H    GLU  68           H        GLU  68  23.301   0.851   7.077
  445    HA   GLU  68           HA       GLU  68  24.904   2.312   7.867
  446   1HB   GLU  68          2HB       GLU  68  25.944  -0.323   8.978
  447   2HB   GLU  68          1HB       GLU  68  26.439   1.254   9.553
  448   1HG   GLU  68          2HG       GLU  68  24.059   1.767  10.149
  449   2HG   GLU  68          1HG       GLU  68  23.568   0.190   9.552
  450    H    GLY  69           H        GLY  69  27.146  -0.338   7.466
  451   1HA   GLY  69          2HA       GLY  69  29.319   1.186   6.591
  452   2HA   GLY  69          1HA       GLY  69  29.195  -0.558   6.450
  453    H    PHE  70           H        PHE  70  26.665  -0.164   4.785
  454    HA   PHE  70           HA       PHE  70  28.006  -0.176   2.290
  455   1HB   PHE  70          2HB       PHE  70  25.155  -0.351   3.150
  456   2HB   PHE  70          1HB       PHE  70  25.541  -0.321   1.435
  457    HD1  PHE  70           HD1      PHE  70  27.503  -2.124   4.085
  458    HD2  PHE  70           HD2      PHE  70  24.659  -2.470   0.932
  459    HE1  PHE  70           HE1      PHE  70  27.695  -4.553   4.189
  460    HE2  PHE  70           HE2      PHE  70  24.871  -4.903   1.035
  461    HZ   PHE  70           HZ       PHE  70  26.381  -5.958   2.656
  462    H    GLN  71           H        GLN  71  27.501   1.204   0.501
  463    HA   GLN  71           HA       GLN  71  26.528   3.887   1.139
  464   1HB   GLN  71          2HB       GLN  71  29.176   3.002   0.069
  465   2HB   GLN  71          1HB       GLN  71  28.541   4.479  -0.561
  466   1HG   GLN  71          2HG       GLN  71  28.919   3.870   2.420
  467   2HG   GLN  71          1HG       GLN  71  30.002   4.873   1.456
  468   1HE2  GLN  71          1HE2      GLN  71  28.674   6.010   3.664
  469   2HE2  GLN  71          2HE2      GLN  71  27.507   7.117   3.118
  470    H    LEU  72           H        LEU  72  26.537   5.228  -0.787
  471    HA   LEU  72           HA       LEU  72  24.675   3.966  -2.677
  472   1HB   LEU  72          2HB       LEU  72  24.335   6.295  -1.840
  473   2HB   LEU  72          1HB       LEU  72  25.795   6.794  -2.670
  474    HG   LEU  72           HG       LEU  72  24.755   5.947  -4.838
  475   1HD1  LEU  72          1HD1      LEU  72  22.308   5.596  -4.901
  476   2HD1  LEU  72          2HD1      LEU  72  22.235   5.725  -3.153
  477   3HD1  LEU  72          3HD1      LEU  72  23.085   4.384  -3.903
  478   1HD2  LEU  72          1HD2      LEU  72  24.699   8.355  -4.232
  479   2HD2  LEU  72          2HD2      LEU  72  23.204   8.104  -3.341
  480   3HD2  LEU  72          3HD2      LEU  72  23.231   7.904  -5.088
  481    H    ASP  73           H        ASP  73  25.674   2.614  -3.993
  482    HA   ASP  73           HA       ASP  73  28.265   3.102  -5.220
  483   1HB   ASP  73          2HB       ASP  73  27.404   0.789  -4.779
  484   2HB   ASP  73          1HB       ASP  73  26.133   1.035  -5.965
  485    HA   PRO  74           HA       PRO  74  26.478   5.596  -8.503
  486   1HB   PRO  74          2HB       PRO  74  28.661   5.993 -10.017
  487   2HB   PRO  74          1HB       PRO  74  28.528   6.706  -8.427
  488   1HG   PRO  74          2HG       PRO  74  29.962   4.196  -9.209
  489   2HG   PRO  74          1HG       PRO  74  30.522   5.540  -8.199
  490   1HD   PRO  74          2HD       PRO  74  29.551   3.237  -7.158
  491   2HD   PRO  74          1HD       PRO  74  29.376   4.803  -6.345
  492    H    HIS  75           H        HIS  75  26.237   5.575 -10.814
  493    HA   HIS  75           HA       HIS  75  25.597   4.599 -12.827
  494   1HB   HIS  75          2HB       HIS  75  27.656   2.457 -12.104
  495   2HB   HIS  75          1HB       HIS  75  26.975   2.747 -13.695
  496    HD1  HIS  75           HD1      HIS  75  29.262   4.344 -11.246
  497    HD2  HIS  75           HD2      HIS  75  28.083   4.920 -15.112
  498    HE1  HIS  75           HE1      HIS  75  30.770   6.058 -12.183
  499    H    THR  76           H        THR  76  24.937   3.348  -9.973
  500    HA   THR  76           HA       THR  76  22.951   1.389 -10.995
  501    HB   THR  76           HB       THR  76  23.498  -0.105  -9.010
  502    HG1  THR  76           HG1      THR  76  25.655   1.709  -8.800
  503   1HG2  THR  76          1HG2      THR  76  25.702  -0.970  -9.821
  504   2HG2  THR  76          2HG2      THR  76  26.029   0.537 -10.658
  505   3HG2  THR  76          3HG2      THR  76  24.764  -0.534 -11.241
  506    H    LYS  77           H        LYS  77  24.144   3.344  -8.471
  507    HA   LYS  77           HA       LYS  77  23.171   4.676  -6.814
  508   1HB   LYS  77          2HB       LYS  77  20.710   4.128  -8.304
  509   2HB   LYS  77          1HB       LYS  77  20.838   5.351  -7.070
  510   1HG   LYS  77          2HG       LYS  77  22.646   6.472  -8.419
  511   2HG   LYS  77          1HG       LYS  77  22.413   5.284  -9.693
  512   1HD   LYS  77          2HD       LYS  77  20.043   6.009  -9.938
  513   2HD   LYS  77          1HD       LYS  77  20.272   7.197  -8.666
  514   1HE   LYS  77          2HE       LYS  77  22.032   8.319 -10.032
  515   2HE   LYS  77          1HE       LYS  77  21.793   7.132 -11.309
  516   1HZ   LYS  77          1HZ       LYS  77  19.399   7.858 -11.282
  517   2HZ   LYS  77          2HZ       LYS  77  20.525   8.965 -11.908
  518   3HZ   LYS  77          3HZ       LYS  77  19.903   9.178 -10.342
  519    H    ALA  78           H        ALA  78  23.179   1.625  -6.918
  520    HA   ALA  78           HA       ALA  78  21.121   0.943  -4.889
  521   1HB   ALA  78          1HB       ALA  78  21.365  -0.544  -6.870
  522   2HB   ALA  78          2HB       ALA  78  21.793  -1.400  -5.395
  523   3HB   ALA  78          3HB       ALA  78  23.055  -0.806  -6.464
  524    H    CYS  79           H        CYS  79  21.762  -0.102  -2.936
  525    HA   CYS  79           HA       CYS  79  24.336   0.887  -1.931
  526   1HB   CYS  79          2HB       CYS  79  22.003  -0.362  -0.557
  527   2HB   CYS  79          1HB       CYS  79  23.480   0.012   0.274
  528    H    LYS  80           H        LYS  80  25.922  -0.161  -1.104
  529    HA   LYS  80           HA       LYS  80  25.962  -3.040  -0.625
  530   1HB   LYS  80          2HB       LYS  80  27.766  -3.483  -1.949
  531   2HB   LYS  80          1HB       LYS  80  26.379  -3.133  -2.983
  532   1HG   LYS  80          2HG       LYS  80  27.272  -0.746  -3.253
  533   2HG   LYS  80          1HG       LYS  80  28.734  -1.231  -2.421
  534   1HD   LYS  80          2HD       LYS  80  27.736  -2.416  -5.037
  535   2HD   LYS  80          1HD       LYS  80  29.050  -1.272  -4.863
  536   1HE   LYS  80          2HE       LYS  80  30.324  -2.917  -3.495
  537   2HE   LYS  80          1HE       LYS  80  29.021  -4.084  -3.688
  538   1HZ   LYS  80          1HZ       LYS  80  30.959  -4.237  -5.265
  539   2HZ   LYS  80          2HZ       LYS  80  29.404  -4.263  -5.948
  540   3HZ   LYS  80          3HZ       LYS  80  30.336  -2.845  -6.012
  541    H    ALA  81           H        ALA  81  28.022  -3.668   0.387
  542    HA   ALA  81           HA       ALA  81  29.050  -2.023   2.367
  543   1HB   ALA  81          1HB       ALA  81  29.500  -4.445   2.230
  544   2HB   ALA  81          2HB       ALA  81  31.001  -3.557   2.432
  545   3HB   ALA  81          3HB       ALA  81  30.556  -4.185   0.851
  546    H    VAL  82           H        VAL  82  30.115  -0.173   2.368
  547    HA   VAL  82           HA       VAL  82  31.058   1.235   0.201
  548    HB   VAL  82           HB       VAL  82  30.714   2.194   2.453
  549   1HG1  VAL  82          1HG1      VAL  82  32.425   1.894   4.237
  550   2HG1  VAL  82          2HG1      VAL  82  33.315   0.776   3.219
  551   3HG1  VAL  82          3HG1      VAL  82  31.729   0.343   3.812
  552   1HG2  VAL  82          1HG2      VAL  82  33.544   2.661   1.433
  553   2HG2  VAL  82          2HG2      VAL  82  32.661   3.720   2.520
  554   3HG2  VAL  82          3HG2      VAL  82  32.094   3.483   0.875