*HEADER    METAL BINDING PROTEIN                   28-JUN-10   2KZY              
*TITLE     SOLUTION NMR STRUCTURE OF THE ZNF216 A20 ZINC FINGER                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ZFAND5 PROTEIN (ZINC FINGER PROTEIN 216 (PREDICTED),       
*COMPND   3 ISOFORM CRA_A);                                                      
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: A20;                                                       
*COMPND   6 SYNONYM: ZNF216-A20;                                                 
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;                              
*SOURCE   3 ORGANISM_TAXID: 10116;                                               
*SOURCE   4 GENE: ZFAND5;                                                        
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: C41 (DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PGEX-4T1                                   
*KEYWDS    A20 DOMAIN, ZNF216, ATROGENE, ZINC FINGER, METAL BINDING PROTEIN      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    T.P.GARNER, J.E.LONG, M.S.SEARLE, R.LAYFIELD                          
*REVDAT   1   06-JUL-11 2KZY    0                                                


!! { Residual Dipolar Coupling Values}  
       
       
      
       
! M14      
assign       
 (resid 14 and name N ) 
 (resid 14 and name NH ) -10.1954892 1
       
! L15      
assign       
 (resid 15 and name N ) 
 (resid 15 and name NH ) -4.63934276 1
       
! C16      
assign       
 (resid 16 and name N ) 
 (resid 16 and name NH ) -15.6124128 1
       
! S17      
assign       
 (resid 17 and name N ) 
 (resid 17 and name NH ) -14.09737648 1
       
! T18      
assign       
 (resid 18 and name N ) 
 (resid 18 and name NH ) -28.99786812 1
       
! G19      
assign       
 (resid 19 and name N ) 
 (resid 19 and name NH ) 2.43062408 1
       
! C20      
assign       
 (resid 20 and name N ) 
 (resid 20 and name NH ) -5.38713356 1
       
! G21      
assign       
 (resid 21 and name N ) 
 (resid 21 and name NH ) -12.6486078 1
       
! F22      
assign       
 (resid 22 and name N ) 
 (resid 22 and name NH ) 15.5728954 1
! Y23      
assign       
 (resid 23 and name N ) 
 (resid 23 and name NH ) -22.66961248 1
       
! G24      
assign       
 (resid 24 and name N ) 
 (resid 24 and name NH ) 17.29281424 1
       
! N25      
assign       
 (resid 25 and name N ) 
 (resid 25 and name NH ) 31.07709132 1
       
       
! R27      
assign       
 (resid 27 and name N ) 
 (resid 27 and name NH ) -6.39999492 1
       
! T28      
assign       
 (resid 28 and name N ) 
 (resid 28 and name NH ) 18.93248236 1
       
! N29      
assign       
 (resid 29 and name N ) 
 (resid 29 and name NH ) -4.49343236 1
       
! G30      
assign       
 (resid 30 and name N ) 
 (resid 30 and name NH ) -22.34009816 1
       
       
       
! M31      
assign       
 (resid 31 and name N ) 
 (resid 31 and name NH ) -4.17607724 1
       
       
! C32      
assign       
 (resid 32 and name N ) 
 (resid 32 and name NH ) -16.74808208 1
       
       
! S33      
assign       
 (resid 33 and name N ) 
 (resid 33 and name NH ) 15.08591944 1
       
       
! V34      
assign       
 (resid 34 and name N ) 
 (resid 34 and name NH ) 26.68579624 1
       
       
! C35      
assign       
 (resid 35 and name N ) 
 (resid 35 and name NH ) 31.6108802 1
       
       
! Y36      
assign       
 (resid 36 and name N ) 
 (resid 36 and name NH ) 11.29528884 1
       
       
! K37      
assign       
 (resid 37 and name N ) 
 (resid 37 and name NH ) 7.13258672 1
       
       
! E38      
assign       
 (resid 38 and name N ) 
 (resid 38 and name NH ) 23.26845308 1
       
       
! H39      
assign       
 (resid 39 and name N ) 
 (resid 39 and name NH ) 21.9899132 1
       
       
! L40      
assign       
 (resid 40 and name N ) 
 (resid 40 and name NH ) 4.22289016 1
       
       
! Q41      
assign       
 (resid 41 and name N ) 
 (resid 41 and name NH ) 12.76168836 1
       
       
! R42      
assign       
 (resid 42 and name N ) 
 (resid 42 and name NH ) 29.2033586 1
       
       
! Q43      
assign       
 (resid 43 and name N ) 
 (resid 43 and name NH ) 3.68302168 1
       
       
! Q44      
assign       
 (resid 44 and name N ) 
 (resid 44 and name NH ) -0.73319976 1
       
       
! N45      
assign       
 (resid 45 and name N ) 
 (resid 45 and name NH ) 12.04794332 1
!originaly 745 total NOE but altered later
clas average
assign ( resid 14 and name HA ) ( resid 23 and name HD# ) 5.0 3.2 1.5
assign ( resid 14 and name HB1 ) ( resid 23 and name HD# ) 5.0 3.2 1.5
assign ( resid 14 and name HB1 ) ( resid 23 and name HE# ) 6.0 4.2 0.5
assign ( resid 15 and name HA ) ( resid 23 and name HD# ) 4.0 2.2 0.5
assign ( resid 15 and name HD1# ) ( resid 23 and name HD# ) 4.0 2.2 0.5
assign ( resid 15 and name HD1# ) ( resid 23 and name HE# ) 5.0 3.2 1.5
assign ( resid 15 and name HD2# ) ( resid 23 and name HD# ) 6.0 4.2 0.5
assign ( resid 15 and name HD2# ) ( resid 23 and name HE# ) 5.0 3.2 0.5
assign ( resid 15 and name HG ) ( resid 23 and name HD# ) 5.0 3.2 1.5
assign ( resid 15 and name HG ) ( resid 23 and name HE# ) 5.0 3.2 1.5
assign ( resid 16 and name HN ) ( resid 23 and name HD# ) 5.0 3.2 1.5
assign ( resid 17 and name HB1 ) ( resid 31 and name HE# ) 5.0 3.2 1.5
assign ( resid 17 and name HN ) ( resid 31 and name HE# ) 5.0 3.2 1.5
assign ( resid 18 and name HA ) ( resid 31 and name HE# ) 5.0 3.2 1.5
assign ( resid 18 and name HG2# ) ( resid 31 and name HE# ) 4.0 2.2 0.5
assign ( resid 18 and name HN ) ( resid 31 and name HE# ) 6.0 4.2 0.5
assign ( resid 20 and name HB2 ) ( resid 22 and name HD# ) 6.0 4.2 0.5
assign ( resid 22 and name HD# ) ( resid 22 and name HA ) 4.0 2.2 2.5
assign ( resid 22 and name HD# ) ( resid 22 and name HB1 ) 4.0 2.2 2.5
assign ( resid 22 and name HD# ) ( resid 22 and name HB2 ) 4.0 2.2 2.5
assign ( resid 22 and name HD# ) ( resid 22 and name HE# ) 2.8 1 2.5
assign ( resid 22 and name HD# ) ( resid 22 and name HZ ) 4.0 2.2 2.5
assign ( resid 22 and name HE# ) ( resid 22 and name HA ) 5.0 3.2 1.5
assign ( resid 22 and name HE# ) ( resid 22 and name HZ ) 2.5 0.7 2.5
assign ( resid 22 and name HN ) ( resid 22 and name HD# ) 4.0 2.2 2.5
assign ( resid 22 and name HD# ) ( resid 23 and name HN ) 5.0 3.2 1.5
assign ( resid 22 and name HD# ) ( resid 34 and name HG1# ) 5.0 3.2 1.5
assign ( resid 22 and name HD# ) ( resid 34 and name HG2# ) 5.0 3.2 1.5
assign ( resid 22 and name HE# ) ( resid 34 and name HG1# ) 6.0 4.2 0.5
assign ( resid 23 and name HD# ) ( resid 23 and name HA ) 4.0 2.2 2.5
assign ( resid 23 and name HD# ) ( resid 23 and name HB1 ) 4.0 2.2 2.5
assign ( resid 23 and name HD# ) ( resid 23 and name HB2 ) 4.0 2.2 2.5
assign ( resid 23 and name HD# ) ( resid 23 and name HE# ) 2.8 1 2.5
assign ( resid 23 and name HE# ) ( resid 23 and name HA ) 5.0 3.2 1.5
assign ( resid 23 and name HE# ) ( resid 23 and name HB1 ) 5.0 3.2 1.5
assign ( resid 23 and name HE# ) ( resid 23 and name HB2 ) 5.0 3.2 1.5
assign ( resid 23 and name HN ) ( resid 23 and name HD# ) 4.0 2.2 0.5
assign ( resid 23 and name HN ) ( resid 23 and name HE# ) 6.0 4.2 0.5
assign ( resid 23 and name HD# ) ( resid 24 and name HN ) 5.0 3.2 1.5
assign ( resid 28 and name HA ) ( resid 36 and name HD# ) 5.0 3.2 1.5
assign ( resid 28 and name HA ) ( resid 36 and name HE# ) 4.0 3.2 1.5
assign ( resid 28 and name HB ) ( resid 36 and name HD# ) 4.5 4.2 1.0
assign ( resid 28 and name HG2# ) ( resid 36 and name HD# ) 3.0 2.2 2.0
assign ( resid 28 and name HG2# ) ( resid 36 and name HE# ) 3.0 2.2 2.0
assign ( resid 29 and name HD21 ) ( resid 31 and name HE# ) 4.0 2.2 2.5
assign ( resid 29 and name HD22 ) ( resid 31 and name HE# ) 4.0 2.2 2.5
assign ( resid 29 and name HA ) ( resid 36 and name HE# ) 6.0 4.2 0.5
assign ( resid 29 and name HB1 ) ( resid 36 and name HD# ) 4.0 2.2 2.5
assign ( resid 29 and name HB1 ) ( resid 36 and name HE# ) 4.0 2.2 2.5
assign ( resid 29 and name HB2 ) ( resid 36 and name HD# ) 5.0 3.2 1.5
assign ( resid 29 and name HB2 ) ( resid 36 and name HE# ) 4.0 2.2 2.5
assign ( resid 30 and name HN ) ( resid 31 and name HE# ) 5.0 3.2 1.5
assign ( resid 31 and name HE# ) ( resid 31 and name HA ) 5.0 3.2 1.5
assign ( resid 31 and name HE# ) ( resid 31 and name HB1 ) 4.0 2.2 2.5
assign ( resid 31 and name HE# ) ( resid 31 and name HB2 ) 4.0 2.2 2.5
assign ( resid 31 and name HE# ) ( resid 31 and name HG2 ) 2.8 1 2.5
assign ( resid 31 and name HN ) ( resid 31 and name HE# ) 6.0 4.2 0.5
assign ( resid 31 and name HE# ) ( resid 32 and name HN ) 6.0 4.2 0.5
assign ( resid 31 and name HE# ) ( resid 35 and name HB2 ) 5.0 3.2 1.5
assign ( resid 31 and name HB1 ) ( resid 36 and name HD# ) 5.0 3.2 1.5
assign ( resid 31 and name HB2 ) ( resid 36 and name HD# ) 5.0 3.2 1.5
assign ( resid 31 and name HE# ) ( resid 36 and name HD# ) 3.0 1.2 1.5
assign ( resid 31 and name HE# ) ( resid 36 and name HE# ) 5.0 3.2 1.5
assign ( resid 31 and name HE# ) ( resid 36 and name HN ) 6.0 4.2 0.5
assign ( resid 31 and name HG2 ) ( resid 36 and name HD# ) 5.0 3.2 1.5
assign ( resid 31 and name HN ) ( resid 36 and name HD# ) 5.0 3.2 1.5
assign ( resid 31 and name HN ) ( resid 36 and name HE# ) 5.0 3.2 1.5
assign ( resid 31 and name HE# ) ( resid 39 and name HB1 ) 4.0 2.2 0.5
assign ( resid 31 and name HE# ) ( resid 39 and name HB2 ) 3.0 1.2 1.0
assign ( resid 31 and name HE# ) ( resid 39 and name HE1 ) 4.0 2.2 2.0
assign ( resid 31 and name HE# ) ( resid 39 and name HD2 ) 5.0 3.2 1.0
assign ( resid 31 and name HE# ) ( resid 39 and name HN ) 5.0 3.2 1.5
assign ( resid 33 and name HA ) ( resid 36 and name HD# ) 5.0 3.2 1.5
assign ( resid 36 and name HD# ) ( resid 36 and name HA ) 4.0 2.2 2.5
assign ( resid 36 and name HD# ) ( resid 36 and name HB1 ) 4.0 2.2 2.5
assign ( resid 36 and name HD# ) ( resid 36 and name HB2 ) 4.0 2.2 2.5
assign ( resid 36 and name HD# ) ( resid 36 and name HE# ) 2.8 1 2.5
assign ( resid 36 and name HE# ) ( resid 36 and name HA ) 5.0 3.2 1.5
assign ( resid 36 and name HE# ) ( resid 36 and name HB1 ) 5.0 3.2 1.5
assign ( resid 36 and name HE# ) ( resid 36 and name HB2 ) 5.0 3.2 1.5
assign ( resid 36 and name HN ) ( resid 36 and name HD# ) 4.0 2.2 2.5
assign ( resid 36 and name HD# ) ( resid 37 and name HA ) 5.0 3.2 1.5
assign ( resid 36 and name HD# ) ( resid 37 and name HB1 ) 6.0 4.2 0.5
assign ( resid 36 and name HD# ) ( resid 37 and name HG2 ) 6.0 4.2 0.5
assign ( resid 36 and name HD# ) ( resid 37 and name HN ) 4.0 2.2 2.5
assign ( resid 36 and name HE# ) ( resid 37 and name HA ) 6.0 4.2 0.5
assign ( resid 36 and name HD# ) ( resid 39 and name HB1 ) 5.0 3.2 1.5
assign ( resid 36 and name HD# ) ( resid 39 and name HB2 ) 5.0 3.2 1.5
assign ( resid 36 and name HD# ) ( resid 39 and name HD2 ) 3.0 1.2 1.5
assign ( resid 36 and name HD# ) ( resid 39 and name HN ) 6.0 4.2 0.5
assign ( resid 36 and name HE# ) ( resid 39 and name HD2 ) 2.8 1 2.0
assign ( resid 36 and name HD# ) ( resid 40 and name HD1# ) 6.0 4.2 0.5
assign ( resid 36 and name HD# ) ( resid 40 and name HD2# ) 5.0 3.2 1.5
assign ( resid 36 and name HD# ) ( resid 40 and name HG ) 6.0 4.2 0.5
assign ( resid 36 and name HD# ) ( resid 40 and name HN ) 5.0 3.2 1.5
assign ( resid 36 and name HE# ) ( resid 40 and name HD1# ) 5.0 3.2 1.5
assign ( resid 36 and name HE# ) ( resid 40 and name HD2# ) 4.0 2.2 2.5
assign ( resid 36 and name HE# ) ( resid 40 and name HG ) 6.0 4.2 0.5
assign ( resid 36 and name HE# ) ( resid 40 and name HN ) 5.0 3.2 1.5
clas NHNH
assign ( resid 14 and name HN ) ( resid 15 and name HN ) 4.0 2.2 1.0
assign ( resid 14 and name HN ) ( resid 24 and name HN ) 4.0 2.2 0.8
assign ( resid 15 and name HN ) ( resid 16 and name HN ) 5.0 3.2 1.5
assign ( resid 15 and name HN ) ( resid 24 and name HN ) 5.0 3.2 1.5
assign ( resid 16 and name HN ) ( resid 17 and name HN ) 5.0 3.2 1.5
assign ( resid 16 and name HN ) ( resid 21 and name HN ) 4.0 2.2 0.8
assign ( resid 16 and name HN ) ( resid 24 and name HN ) 4.0 2.2 0.5
assign ( resid 16 and name HN ) ( resid 32 and name HN ) 5.0 3.2 1.5
assign ( resid 17 and name HN ) ( resid 18 and name HN ) 4.0 2.2 0.5
assign ( resid 17 and name HN ) ( resid 19 and name HN ) 4.0 2.2 0.8
assign ( resid 17 and name HN ) ( resid 31 and name HN ) 5.0 3.2 1.5
assign ( resid 17 and name HN ) ( resid 32 and name HN ) 5.0 3.2 1.5
assign ( resid 18 and name HN ) ( resid 19 and name HN ) 2.8 1 0.5
assign ( resid 18 and name HN ) ( resid 20 and name HN ) 4.0 2.2 0.8
assign ( resid 18 and name HN ) ( resid 32 and name HN ) 5.0 3.2 1.5
assign ( resid 19 and name HN ) ( resid 20 and name HN ) 2.8 1 0.5
assign ( resid 19 and name HN ) ( resid 21 and name HN ) 4.0 2.2 0.8
assign ( resid 20 and name HN ) ( resid 21 and name HN ) 2.8 1 0.8
assign ( resid 22 and name HN ) ( resid 23 and name HN ) 5.0 3.2 1.5
assign ( resid 22 and name HN ) ( resid 24 and name HN ) 5.0 3.2 1.5
assign ( resid 23 and name HN ) ( resid 24 and name HN ) 4.0 2.2 1.0
assign ( resid 24 and name HN ) ( resid 25 and name HN ) 5.0 3.2 1.5
assign ( resid 25 and name HN ) ( resid 30 and name HN ) 5.0 3.2 1.5
assign ( resid 25 and name HN ) ( resid 31 and name HN ) 4.0 2.2 0.8
assign ( resid 25 and name HN ) ( resid 32 and name HN ) 5.0 3.2 1.5
assign ( resid 27 and name HN ) ( resid 28 and name HN ) 4.0 2.2 0.5
assign ( resid 27 and name HN ) ( resid 30 and name HN ) 5.0 3.2 1.5
assign ( resid 28 and name HN ) ( resid 29 and name HN ) 5.0 3.2 1.5
!assign ( resid 28 and name HN ) ( resid 30 and name HN ) 4.0 2.2 0.8
assign ( resid 28 and name HN ) ( resid 30 and name HN ) 4.0 2.2 1.0
assign ( resid 29 and name HN ) ( resid 30 and name HN ) 4.0 2.2 0.8
assign ( resid 30 and name HN ) ( resid 31 and name HN ) 2.5 0.7 1.5
assign ( resid 31 and name HN ) ( resid 32 and name HN ) 4.0 2.2 0.8
assign ( resid 32 and name HN ) ( resid 35 and name HN ) 4.0 2.2 0.8
assign ( resid 32 and name HN ) ( resid 36 and name HN ) 4.0 2.2 0.8
assign ( resid 32 and name HN ) ( resid 36 and name HN ) 4.0 2.2 1.0
assign ( resid 33 and name HN ) ( resid 34 and name HN ) 4.0 2.2 0.8
assign ( resid 34 and name HN ) ( resid 35 and name HN ) 2.8 1 0.8
assign ( resid 35 and name HN ) ( resid 36 and name HN ) 2.8 1 1.0
assign ( resid 36 and name HN ) ( resid 37 and name HN ) 2.8 1 0.8
assign ( resid 36 and name HN ) ( resid 38 and name HN ) 5.0 3.2 1.5
assign ( resid 36 and name HN ) ( resid 39 and name HN ) 5.0 3.2 1.5
assign ( resid 37 and name HN ) ( resid 38 and name HN ) 2.5 0.7 2.5
assign ( resid 37 and name HN ) ( resid 39 and name HN ) 3.0 1.5 1.0
assign ( resid 38 and name HN ) ( resid 39 and name HN ) 2.8 1 0.8
assign ( resid 38 and name HN ) ( resid 40 and name NH ) 3.0 1.2 1.8
assign ( resid 39 and name HN ) ( resid 40 and name HN ) 2.8 1 0.8
assign ( resid 39 and name HN ) ( resid 41 and name HN ) 5.0 3.2 1.5
assign ( resid 39 and name HN ) ( resid 42 and name HN ) 5.0 3.2 1.5
assign ( resid 40 and name HN ) ( resid 41 and name HN ) 2.8 1 0.8
assign ( resid 40 and name HN ) ( resid 42 and name HN ) 5.0 3.2 1.5
assign ( resid 41 and name HN ) ( resid 42 and name HN ) 2.8 1 0.8
assign ( resid 43 and name HN ) ( resid 44 and name HN ) 4.0 2.2 0.8
assign ( resid 7 and name HN ) ( resid 7 and name HA ) 5.0 3.2 1.5
assign ( resid 14 and name HN ) ( resid 14 and name HA ) 4.0 2.2 0.8
assign ( resid 15 and name HN ) ( resid 15 and name HA ) 4.0 2.2 0.8
assign ( resid 16 and name HN ) ( resid 16 and name HA ) 2.8 1 0.8
assign ( resid 16 and name HN ) ( resid 23 and name HA ) 2.8 1 0.8
assign ( resid 16 and name HN ) ( resid 31 and name HA ) 5.0 3.2 1.5
assign ( resid 16 and name HN ) ( resid 32 and name HA ) 5.0 3.2 1.5
assign ( resid 17 and name HN ) ( resid 17 and name HA ) 2.8 1 0.8
assign ( resid 17 and name HN ) ( resid 31 and name HA ) 3.0 1.2 1.0
assign ( resid 18 and name HN ) ( resid 18 and name HA ) 4.0 2.2 0.8
assign ( resid 18 and name HN ) ( resid 31 and name HA ) 5.0 3.2 1.5
assign ( resid 20 and name HN ) ( resid 20 and name HA ) 2.8 1 0.8
assign ( resid 22 and name HN ) ( resid 22 and name HA ) 4.0 2.2 0.8
assign ( resid 23 and name HN ) ( resid 23 and name HA ) 4.0 2.2 0.8
assign ( resid 24 and name HN ) ( resid 32 and name HA ) 5.0 3.2 1.5
assign ( resid 25 and name HN ) ( resid 25 and name HA ) 4.0 2.2 0.8
assign ( resid 25 and name HN ) ( resid 32 and name HA ) 4.0 2.2 0.8
assign ( resid 27 and name HN ) ( resid 27 and name HA ) 4.0 2.2 0.8
assign ( resid 28 and name HN ) ( resid 28 and name HA ) 4.0 2.2 0.8
assign ( resid 29 and name HN ) ( resid 29 and name HA ) 4.0 2.2 0.8
assign ( resid 32 and name HN ) ( resid 32 and name HA ) 4.0 2.2 0.5
assign ( resid 32 and name HN ) ( resid 35 and name HA ) 5.0 3.2 1.5
assign ( resid 33 and name HN ) ( resid 33 and name HA ) 4.0 2.2 0.8
assign ( resid 34 and name HN ) ( resid 34 and name HA ) 2.8 1 0.8
assign ( resid 35 and name HN ) ( resid 35 and name HA ) 2.8 1 0.8
assign ( resid 36 and name HN ) ( resid 36 and name HA ) 2.8 1 0.8
assign ( resid 36 and name HN ) ( resid 37 and name HA ) 5.0 3.2 1.5
assign ( resid 37 and name HN ) ( resid 37 and name HA ) 2.8 1 0.8
assign ( resid 38 and name HN ) ( resid 38 and name HA ) 2.8 1 0.8
assign ( resid 39 and name HN ) ( resid 39 and name HA ) 2.8 1 0.8
assign ( resid 40 and name HN ) ( resid 40 and name HA ) 2.8 1 0.8
assign ( resid 40 and name HN ) ( resid 41 and name HA ) 4.0 2.2 1.5
assign ( resid 41 and name HN ) ( resid 41 and name HA ) 2.8 1 0.8
assign ( resid 42 and name HN ) ( resid 42 and name HA ) 2.8 1 0.8
assign ( resid 42 and name HN ) ( resid 43 and name HA ) 4.0 2.2 1.5
assign ( resid 43 and name HN ) ( resid 43 and name HA ) 2.8 1 0.8
assign ( resid 44 and name HN ) ( resid 44 and name HA ) 4.0 2.2 0.8
assign ( resid 54 and name HN ) ( resid 54 and name HA ) 6.0 4.2 0.5
assign ( resid 12 and name HN ) ( resid 12 and name HA1 ) 4.0 2.2 0.8
assign ( resid 16 and name HN ) ( resid 24 and name HA1 ) 5.0 3.2 1.5
assign ( resid 17 and name HN ) ( resid 24 and name HA1 ) 4.0 2.2 1.5
assign ( resid 19 and name HN ) ( resid 19 and name HA1 ) 2.8 1 0.8
assign ( resid 21 and name HN ) ( resid 21 and name HA1 ) 2.8 1 0.8
assign ( resid 24 and name HN ) ( resid 24 and name HA1 ) 2.8 1 0.8
assign ( resid 30 and name HN ) ( resid 30 and name HA1 ) 2.8 1 0.8
assign ( resid 12 and name HN ) ( resid 12 and name HA2 ) 4.0 2.2 0.8
assign ( resid 18 and name HN ) ( resid 19 and name HA2 ) 5.0 3.2 1.5
assign ( resid 19 and name HN ) ( resid 19 and name HA2 ) 2.8 1 0.8
assign ( resid 21 and name HN ) ( resid 21 and name HA2 ) 2.8 1 0.8
assign ( resid 24 and name HN ) ( resid 24 and name HA2 ) 4.0 2.2 0.8
assign ( resid 30 and name HN ) ( resid 30 and name HA2 ) 2.8 1 0.8
assign ( resid 11 and name HA ) ( resid 12 and name HN ) 2.8 1 0.8
assign ( resid 13 and name HA ) ( resid 14 and name HN ) 2.8 1 0.8
assign ( resid 14 and name HA ) ( resid 15 and name HN ) 2.5 0.7 0.8
!assign ( resid 15 and name HA ) ( resid 16 and name HN ) 2.5 0.7 0.8
assign ( resid 15 and name HA ) ( resid 16 and name HN ) 2.5 0.7 1.2
assign ( resid 15 and name HA ) ( resid 24 and name HN ) 4.0 2.2 0.8
assign ( resid 16 and name HA ) ( resid 17 and name HN ) 2.5 0.7 0.8
assign ( resid 16 and name HA ) ( resid 18 and name HN ) 4.0 2.2 0.8
assign ( resid 16 and name HA ) ( resid 24 and name HN ) 4.0 2.2 0.8
assign ( resid 16 and name HA ) ( resid 32 and name HN ) 4.5 2.2 0.5
assign ( resid 17 and name HA ) ( resid 18 and name HN ) 4.0 2.2 0.8
assign ( resid 18 and name HA ) ( resid 19 and name HN ) 4.0 2.2 0.8
assign ( resid 18 and name HA ) ( resid 20 and name HN ) 5.0 3.2 1.5
assign ( resid 20 and name HA ) ( resid 21 and name HN ) 4.0 2.2 0.8
assign ( resid 20 and name HA ) ( resid 22 and name HN ) 4.0 2.2 1.2
assign ( resid 22 and name HA ) ( resid 23 and name HN ) 2.8 1 0.8
assign ( resid 23 and name HA ) ( resid 24 and name HN ) 2.8 1 0.8
assign ( resid 26 and name HA ) ( resid 27 and name HN ) 5.0 3.2 1.5
assign ( resid 26 and name HA ) ( resid 30 and name HN ) 2.8 1.0 1.5
assign ( resid 27 and name HA ) ( resid 28 and name HN ) 4.0 2.2 0.8
assign ( resid 28 and name HA ) ( resid 29 and name HN ) 5.0 3.2 1.5
assign ( resid 29 and name HA ) ( resid 30 and name HN ) 4.0 2.2 0.8
assign ( resid 31 and name HA ) ( resid 31 and name HN ) 4.0 2.2 0.8
assign ( resid 31 and name HA ) ( resid 32 and name HN ) 2.8 1 0.8
assign ( resid 32 and name HA ) ( resid 33 and name HN ) 4.0 2.2 0.5
assign ( resid 32 and name HA ) ( resid 34 and name HN ) 5.0 3.2 1.5
assign ( resid 33 and name HA ) ( resid 34 and name HN ) 4.0 2.2 0.8
assign ( resid 33 and name HA ) ( resid 36 and name HN ) 4.0 2.2 0.8
assign ( resid 33 and name HA ) ( resid 37 and name HN ) 4.0 2.2 0.8
assign ( resid 34 and name HA ) ( resid 35 and name HN ) 4.0 2.2 0.8
assign ( resid 34 and name HA ) ( resid 37 and name HN ) 4.0 2.2 0.8
assign ( resid 34 and name HA ) ( resid 38 and name HN ) 5.0 3.2 1.5
assign ( resid 35 and name HA ) ( resid 36 and name HN ) 4.0 2.2 0.8
assign ( resid 35 and name HA ) ( resid 37 and name HN ) 4.0 2.2 0.8
assign ( resid 35 and name HA ) ( resid 38 and name HN ) 2.8 1 0.8
assign ( resid 36 and name HA ) ( resid 37 and name HN ) 4.0 2.2 0.8
assign ( resid 36 and name HA ) ( resid 39 and name HN ) 4.0 2.2 0.8
assign ( resid 36 and name HA ) ( resid 40 and name HN ) 4.0 2.2 0.8
assign ( resid 37 and name HA ) ( resid 38 and name HN ) 4.0 2.2 0.8
assign ( resid 37 and name HA ) ( resid 40 and name HN ) 4.0 2.2 0.8
assign ( resid 37 and name HA ) ( resid 41 and name HN ) 4.0 2.2 0.8
assign ( resid 38 and name HA ) ( resid 39 and name HN ) 4.0 2.2 0.8
assign ( resid 39 and name HA ) ( resid 40 and name HN ) 4.0 2.2 0.8
assign ( resid 39 and name HA ) ( resid 42 and name HN ) 4.0 2.2 0.8
assign ( resid 40 and name HA ) ( resid 41 and name HN ) 4.0 2.2 0.8
assign ( resid 40 and name HA ) ( resid 42 and name HN ) 5.0 3.2 1.5
assign ( resid 40 and name HA ) ( resid 43 and name HN ) 4.0 2.2 0.8
assign ( resid 41 and name HA ) ( resid 42 and name HN ) 4.0 2.2 0.8
assign ( resid 42 and name HA ) ( resid 43 and name HN ) 4.0 2.2 0.8
assign ( resid 43 and name HA ) ( resid 44 and name HN ) 4.0 2.2 0.8
assign ( resid 19 and name HA1 ) ( resid 20 and name HN ) 2.8 1 0.8
assign ( resid 21 and name HA1 ) ( resid 22 and name HN ) 2.8 1 0.8
assign ( resid 24 and name HA1 ) ( resid 25 and name HN ) 4.0 2.2 0.8
assign ( resid 30 and name HA1 ) ( resid 31 and name HN ) 2.8 1 0.8
assign ( resid 19 and name HA2 ) ( resid 20 and name HN ) 4.0 2.2 0.8
assign ( resid 19 and name HA2 ) ( resid 21 and name HN ) 5.0 3.2 1.5
assign ( resid 21 and name HA2 ) ( resid 22 and name HN ) 4.0 2.2 0.8
assign ( resid 24 and name HA2 ) ( resid 25 and name HN ) 4.0 2.2 0.8
assign ( resid 24 and name HA2 ) ( resid 32 and name HN ) 4.0 2.2 0.8
assign ( resid 30 and name HA2 ) ( resid 31 and name HN ) 4.0 2.2 0.8
clas intra
assign ( resid 4 and name HA ) ( resid 4 and name HB# ) 4.0 2.2 2.5
assign ( resid 5 and name HE22 ) ( resid 5 and name HE21 ) 2.5 0.7 2.5
assign ( resid 8 and name HD21 ) ( resid 8 and name HB1 ) 5.0 3.2 1.5
assign ( resid 8 and name HD21 ) ( resid 8 and name HB2 ) 5.0 3.2 1.5
assign ( resid 8 and name HD22 ) ( resid 8 and name HB1 ) 4.0 2.2 2.5
assign ( resid 8 and name HD22 ) ( resid 8 and name HB2 ) 5.0 3.2 1.5
assign ( resid 8 and name HD22 ) ( resid 8 and name HD21 ) 2.5 0.7 2.5
assign ( resid 9 and name HE22 ) ( resid 9 and name HE21 ) 2.5 0.7 2.5
assign ( resid 11 and name HB1 ) ( resid 11 and name HA ) 4.0 2.2 2.5
assign ( resid 11 and name HB2 ) ( resid 11 and name HA ) 4.0 2.2 2.5
assign ( resid 11 and name HD1 ) ( resid 11 and name HB1 ) 5.0 3.2 1.5
assign ( resid 11 and name HD2 ) ( resid 11 and name HB1 ) 4.0 2.2 2.5
assign ( resid 12 and name HA1 ) ( resid 12 and name HA2 ) 4.0 2.2 2.5
assign ( resid 13 and name HA ) ( resid 13 and name HB1 ) 4.0 2.2 2
assign ( resid 13 and name HA ) ( resid 13 and name HB2 ) 2.8 1 2
assign ( resid 13 and name HA ) ( resid 13 and name HG1 ) 4.0 2.2 2.5
assign ( resid 13 and name HB2 ) ( resid 13 and name HB1 ) 2.5 0.7 2.5
assign ( resid 13 and name HB2 ) ( resid 13 and name HG1 ) 2.8 1 2.5
assign ( resid 13 and name HB2 ) ( resid 13 and name HG2 ) 2.8 1 2.5
assign ( resid 13 and name HD1 ) ( resid 13 and name HA ) 5.0 3.2 1.5
assign ( resid 13 and name HD1 ) ( resid 13 and name HB1 ) 4.0 2.2 2.5
assign ( resid 13 and name HD1 ) ( resid 13 and name HB2 ) 5.0 3.2 1.5
assign ( resid 13 and name HD1 ) ( resid 13 and name HD2 ) 2.5 0.7 2.5
assign ( resid 13 and name HD1 ) ( resid 13 and name HG1 ) 4.0 2.2 2.5
assign ( resid 13 and name HD1 ) ( resid 13 and name HG2 ) 2.8 1 2.5
assign ( resid 13 and name HD2 ) ( resid 13 and name HA ) 5.0 3.2 1.5
assign ( resid 13 and name HD2 ) ( resid 13 and name HB1 ) 4.0 2.2 2.5
assign ( resid 13 and name HD2 ) ( resid 13 and name HB2 ) 4.0 2.2 2.5
assign ( resid 13 and name HD2 ) ( resid 13 and name HG1 ) 2.8 1 2.5
assign ( resid 13 and name HD2 ) ( resid 13 and name HG2 ) 4.0 2.2 2.5
assign ( resid 13 and name HG1 ) ( resid 13 and name HB1 ) 2.8 1 2.5
assign ( resid 13 and name HG2 ) ( resid 13 and name HA ) 4.0 2.2 2.5
assign ( resid 13 and name HG2 ) ( resid 13 and name HB1 ) 2.5 0.7 2.5
assign ( resid 13 and name HG2 ) ( resid 13 and name HG1 ) 2.5 0.7 2.5
assign ( resid 14 and name HB1 ) ( resid 14 and name HA ) 2.8 1 2.5
assign ( resid 14 and name HG2 ) ( resid 14 and name HA ) 4.0 2.2 2.5
assign ( resid 14 and name HN ) ( resid 14 and name HB1 ) 2.8 1 2
assign ( resid 14 and name HN ) ( resid 14 and name HG2 ) 4.0 2.2 2.5
assign ( resid 15 and name HA ) ( resid 15 and name HD1# ) 4.0 2.2 2.5
assign ( resid 15 and name HA ) ( resid 15 and name HG ) 4.0 2.2 2.5
assign ( resid 15 and name HB1 ) ( resid 15 and name HA ) 2.8 1 2.5
assign ( resid 15 and name HB1 ) ( resid 15 and name HD1# ) 2.8 1 2.5
assign ( resid 15 and name HB1 ) ( resid 15 and name HD2# ) 2.8 1 2.5
assign ( resid 15 and name HD1# ) ( resid 15 and name HD2# ) 4.0 2.2 2.5
assign ( resid 15 and name HD2# ) ( resid 15 and name HA ) 4.0 2.2 2.5
assign ( resid 15 and name HN ) ( resid 15 and name HB1 ) 2.8 1 2
assign ( resid 15 and name HN ) ( resid 15 and name HD1# ) 5.0 3.2 1.5
assign ( resid 15 and name HN ) ( resid 15 and name HD2# ) 5.0 3.2 1.5
assign ( resid 16 and name HB1 ) ( resid 16 and name HA ) 4.0 2.2 2.5
assign ( resid 16 and name HB1 ) ( resid 16 and name HB2 ) 2.8 1 2.5
assign ( resid 16 and name HB2 ) ( resid 16 and name HA ) 4.0 2.2 2.5
assign ( resid 16 and name HN ) ( resid 16 and name HB1 ) 2.8 1 2
assign ( resid 16 and name HN ) ( resid 16 and name HB2 ) 2.8 1 2
assign ( resid 17 and name HB1 ) ( resid 17 and name HA ) 4.0 2.2 2.5
assign ( resid 17 and name HB2 ) ( resid 17 and name HA ) 4.0 2.2 2.5
assign ( resid 17 and name HB2 ) ( resid 17 and name HB1 ) 2.8 1 2.5
assign ( resid 17 and name HN ) ( resid 17 and name HB1 ) 2.8 1 2
assign ( resid 17 and name HN ) ( resid 17 and name HB2 ) 4.0 2.2 2
assign ( resid 18 and name HG2# ) ( resid 18 and name HA ) 4.0 2.2 2.5
assign ( resid 18 and name HG2# ) ( resid 18 and name HB ) 4.0 2.2 2.5
assign ( resid 18 and name HN ) ( resid 18 and name HB ) 4.0 2.2 2.5
assign ( resid 18 and name HN ) ( resid 18 and name HG2# ) 2.8 1 1.7
assign ( resid 19 and name HA2 ) ( resid 19 and name HA1 ) 2.8 1 2.5
assign ( resid 20 and name HB1 ) ( resid 20 and name HA ) 2.8 1 2.5
assign ( resid 20 and name HB1 ) ( resid 20 and name HB2 ) 2.8 1 2.5
assign ( resid 20 and name HB2 ) ( resid 20 and name HA ) 2.8 1 2.5
assign ( resid 20 and name HN ) ( resid 20 and name HB1 ) 2.8 1 2
assign ( resid 20 and name HN ) ( resid 20 and name HB2 ) 2.8 1 2
assign ( resid 21 and name HA2 ) ( resid 21 and name HA1 ) 2.8 1 2.5
assign ( resid 22 and name HB1 ) ( resid 22 and name HA ) 2.8 1 2.5
assign ( resid 22 and name HB2 ) ( resid 22 and name HA ) 2.8 1 2.5
assign ( resid 22 and name HB2 ) ( resid 22 and name HB1 ) 2.5 0.7 2.5
assign ( resid 22 and name HN ) ( resid 22 and name HB1 ) 4.0 2.2 2
assign ( resid 22 and name HN ) ( resid 22 and name HB2 ) 2.8 1 2
assign ( resid 22 and name HN ) ( resid 22 and name HZ ) 4.0 2.2 2.5
assign ( resid 23 and name HB1 ) ( resid 23 and name HA ) 4.0 2.2 2.5
assign ( resid 23 and name HB2 ) ( resid 23 and name HA ) 4.0 2.2 2.5
assign ( resid 23 and name HB2 ) ( resid 23 and name HB1 ) 2.8 1 2.5
assign ( resid 23 and name HN ) ( resid 23 and name HB1 ) 4.0 2.2 2
assign ( resid 23 and name HN ) ( resid 23 and name HB2 ) 2.8 1 2
assign ( resid 24 and name HA2 ) ( resid 24 and name HA1 ) 2.8 1 2.5
assign ( resid 25 and name HB1 ) ( resid 25 and name HA ) 4.0 2.2 2.5
assign ( resid 25 and name HB2 ) ( resid 25 and name HA ) 4.0 2.2 2.5
assign ( resid 25 and name HB2 ) ( resid 25 and name HB1 ) 2.8 1 2.5
assign ( resid 25 and name HD21 ) ( resid 25 and name HB1 ) 5.0 3.2 1.5
assign ( resid 25 and name HD21 ) ( resid 25 and name HB2 ) 5.0 3.2 1.5
assign ( resid 25 and name HD21 ) ( resid 25 and name HD22 ) 2.8 1 2.5
assign ( resid 25 and name HD22 ) ( resid 25 and name HB1 ) 5.0 3.2 1.5
assign ( resid 25 and name HD22 ) ( resid 25 and name HB2 ) 5.0 3.2 1.5
assign ( resid 25 and name HN ) ( resid 25 and name HB1 ) 4.0 2.2 2
assign ( resid 25 and name HN ) ( resid 25 and name HB2 ) 4.0 2.2 2
assign ( resid 26 and name HA ) ( resid 26 and name HB2 ) 2.8 1 2
assign ( resid 26 and name HA ) ( resid 26 and name HD1 ) 4.0 2.2 2.5
assign ( resid 26 and name HB1 ) ( resid 26 and name HA ) 4.0 2.2 2.5
assign ( resid 26 and name HD1 ) ( resid 26 and name HG2 ) 4.0 2.2 2.5
assign ( resid 26 and name HD2 ) ( resid 26 and name HA ) 5.0 3.2 1.5
assign ( resid 26 and name HD2 ) ( resid 26 and name HG2 ) 2.8 1 2.5
assign ( resid 26 and name HG2 ) ( resid 26 and name HA ) 2.8 1 2.5
assign ( resid 27 and name HN ) ( resid 27 and name HB1 ) 4.0 2.2 2
assign ( resid 27 and name HN ) ( resid 27 and name HB2 ) 5.0 3.2 1.5
assign ( resid 27 and name HN ) ( resid 27 and name HG2 ) 5.0 3.2 1.5
assign ( resid 28 and name HA ) ( resid 28 and name HB ) 2.8 1 2.5
assign ( resid 28 and name HG2# ) ( resid 28 and name HA ) 4.0 2.2 2.5
assign ( resid 28 and name HG2# ) ( resid 28 and name HB ) 4.0 2.2 2.5
assign ( resid 28 and name HN ) ( resid 28 and name HB ) 5.0 3.2 1.5
assign ( resid 28 and name HN ) ( resid 28 and name HG2# ) 2.8 1 1.7
assign ( resid 29 and name HA ) ( resid 29 and name HB1 ) 4.0 2.2 2
assign ( resid 29 and name HA ) ( resid 29 and name HB2 ) 4.0 2.2 2
assign ( resid 29 and name HB1 ) ( resid 29 and name HB2 ) 2.8 1 2.5
assign ( resid 29 and name HD21 ) ( resid 29 and name HB1 ) 4.0 2.2 2.5
assign ( resid 29 and name HD21 ) ( resid 29 and name HB2 ) 4.0 2.2 2.5
assign ( resid 29 and name HD21 ) ( resid 29 and name HD22 ) 2.5 0.7 2.5
assign ( resid 29 and name HD22 ) ( resid 29 and name HB1 ) 4.0 2.2 2.5
assign ( resid 29 and name HD22 ) ( resid 29 and name HB2 ) 4.0 2.2 2.5
assign ( resid 29 and name HN ) ( resid 29 and name HB2 ) 5.0 3.2 1.5
assign ( resid 30 and name HA2 ) ( resid 30 and name HA1 ) 2.8 1 2.5
assign ( resid 31 and name HA ) ( resid 31 and name HB1 ) 4.0 2.2 2
assign ( resid 31 and name HA ) ( resid 31 and name HB2 ) 4.0 2.2 2
assign ( resid 31 and name HA ) ( resid 31 and name HG2 ) 2.8 1 2.5
assign ( resid 31 and name HB2 ) ( resid 31 and name HB1 ) 2.8 1 2.5
assign ( resid 31 and name HG2 ) ( resid 31 and name HB1 ) 4.0 2.2 2.5
assign ( resid 31 and name HG2 ) ( resid 31 and name HB2 ) 2.8 1 2.5
assign ( resid 31 and name HN ) ( resid 31 and name HB1 ) 4.0 2.2 2
assign ( resid 31 and name HN ) ( resid 31 and name HB2 ) 4.0 2.2 2
assign ( resid 31 and name HN ) ( resid 31 and name HG2 ) 2.8 1 2.5
assign ( resid 32 and name HB1 ) ( resid 32 and name HA ) 2.8 1 2.5
assign ( resid 32 and name HB1 ) ( resid 32 and name HB2 ) 2.8 1 2.5
assign ( resid 32 and name HB2 ) ( resid 32 and name HA ) 4.0 2.2 2.5
assign ( resid 32 and name HN ) ( resid 32 and name HB1 ) 4.0 2.2 2
assign ( resid 32 and name HN ) ( resid 32 and name HB2 ) 4.0 2.2 2
assign ( resid 33 and name HA ) ( resid 33 and name HB1 ) 2.8 1 2
assign ( resid 33 and name HN ) ( resid 33 and name HB1 ) 4.0 2.2 2
assign ( resid 34 and name HB ) ( resid 34 and name HA ) 4.0 2.2 2.5
assign ( resid 34 and name HG1# ) ( resid 34 and name HA ) 4.0 2.2 2.5
assign ( resid 34 and name HG1# ) ( resid 34 and name HB ) 2.8 1 2.5
assign ( resid 34 and name HG1# ) ( resid 34 and name HG2# ) 4.0 2.2 2.5
assign ( resid 34 and name HG2# ) ( resid 34 and name HA ) 4.0 2.2 2.5
assign ( resid 34 and name HG2# ) ( resid 34 and name HB ) 2.8 1 2.5
assign ( resid 34 and name HN ) ( resid 34 and name HB ) 2.5 0.7 2.5
assign ( resid 34 and name HN ) ( resid 34 and name HG1# ) 2.8 1 2.5
assign ( resid 34 and name HN ) ( resid 34 and name HG2# ) 4.0 2.2 2.5
assign ( resid 35 and name HA ) ( resid 35 and name HB1 ) 2.8 1 2
assign ( resid 35 and name HB1 ) ( resid 35 and name HB2 ) 2.5 0.7 2.5
assign ( resid 35 and name HN ) ( resid 35 and name HB1 ) 2.8 1 2
assign ( resid 36 and name HB1 ) ( resid 36 and name HA ) 4.0 2.2 2.5
assign ( resid 36 and name HB2 ) ( resid 36 and name HA ) 4.0 2.2 2.5
assign ( resid 36 and name HB2 ) ( resid 36 and name HB1 ) 2.8 1 2.5
assign ( resid 36 and name HN ) ( resid 36 and name HB1 ) 2.5 0.7 2
assign ( resid 36 and name HN ) ( resid 36 and name HB2 ) 2.8 1 2
assign ( resid 37 and name HA ) ( resid 37 and name HD2 ) 4.0 2.2 2.5
assign ( resid 37 and name HA ) ( resid 37 and name HG2 ) 4.0 2.2 2.5
assign ( resid 37 and name HB1 ) ( resid 37 and name HA ) 2.8 1 2.5
assign ( resid 37 and name HB1 ) ( resid 37 and name HG2 ) 4.0 2.2 2.5
assign ( resid 37 and name HD1 ) ( resid 37 and name HB1 ) 4.0 2.2 2.5
assign ( resid 37 and name HD1 ) ( resid 37 and name HE2 ) 2.8 1 2.5
assign ( resid 37 and name HD1 ) ( resid 37 and name HG2 ) 2.8 1 2.5
assign ( resid 37 and name HD2 ) ( resid 37 and name HB1 ) 4.0 2.2 2.5
assign ( resid 37 and name HD2 ) ( resid 37 and name HG2 ) 2.8 1 2.5
assign ( resid 37 and name HE2 ) ( resid 37 and name HD2 ) 4.0 2.2 2.5
assign ( resid 37 and name HE2 ) ( resid 37 and name HG2 ) 2.8 1 2.5
assign ( resid 37 and name HN ) ( resid 37 and name HB1 ) 2.5 0.7 2
assign ( resid 37 and name HN ) ( resid 37 and name HD1 ) 4.0 2.2 2.5
assign ( resid 37 and name HN ) ( resid 37 and name HD2 ) 4.0 2.2 2.5
assign ( resid 37 and name HN ) ( resid 37 and name HE2 ) 4.0 2.2 2.5
assign ( resid 37 and name HN ) ( resid 37 and name HG2 ) 4.0 2.2 2.5
assign ( resid 38 and name HA ) ( resid 38 and name HB1 ) 2.5 0.7 2
assign ( resid 38 and name HA ) ( resid 38 and name HG1 ) 2.8 1 2.5
assign ( resid 38 and name HA ) ( resid 38 and name HG2 ) 4.0 2.2 2.5
assign ( resid 38 and name HG2 ) ( resid 38 and name HG1 ) 2.5 0.7 2.5
assign ( resid 38 and name HN ) ( resid 38 and name HB1 ) 2.5 0.7 2
assign ( resid 38 and name HN ) ( resid 38 and name HG1 ) 4.0 2.2 2.5
assign ( resid 38 and name HN ) ( resid 38 and name HG2 ) 4.0 2.2 2.5
assign ( resid 39 and name HB1 ) ( resid 39 and name HA ) 4.0 2.2 2.5
assign ( resid 39 and name HB1 ) ( resid 39 and name HB2 ) 2.8 1 2.5
assign ( resid 39 and name HB1 ) ( resid 39 and name HE1 ) 5.0 3.2 1.5
assign ( resid 39 and name HB2 ) ( resid 39 and name HA ) 4.0 2.2 2.5
assign ( resid 39 and name HB2 ) ( resid 39 and name HE1 ) 5.0 3.2 1.5
assign ( resid 39 and name HD2 ) ( resid 39 and name HA ) 5.0 3.2 1.5
assign ( resid 39 and name HD2 ) ( resid 39 and name HB1 ) 4.0 2.2 2.5
assign ( resid 39 and name HD2 ) ( resid 39 and name HB2 ) 4.0 2.2 2.5
assign ( resid 39 and name HD2 ) ( resid 39 and name HE1 ) 5.0 3.2 1.5
assign ( resid 39 and name HN ) ( resid 39 and name HB1 ) 2.8 1 2
assign ( resid 39 and name HN ) ( resid 39 and name HB2 ) 2.8 1 2
assign ( resid 39 and name HN ) ( resid 39 and name HD2 ) 5.0 3.2 1.5
assign ( resid 40 and name HB1 ) ( resid 40 and name HA ) 4.0 2.2 2.5
assign ( resid 40 and name HB1 ) ( resid 40 and name HB2 ) 2.5 0.7 2.5
assign ( resid 40 and name HB1 ) ( resid 40 and name HD1# ) 4.0 2.2 2.5
assign ( resid 40 and name HB1 ) ( resid 40 and name HD2# ) 4.0 2.2 2.5
assign ( resid 40 and name HB2 ) ( resid 40 and name HA ) 4.0 2.2 2.5
assign ( resid 40 and name HB2 ) ( resid 40 and name HD1# ) 2.8 1 2.5
assign ( resid 40 and name HB2 ) ( resid 40 and name HD2# ) 2.8 1 2.5
assign ( resid 40 and name HB2 ) ( resid 40 and name HG ) 2.8 1 2.5
assign ( resid 40 and name HD1# ) ( resid 40 and name HA ) 4.0 2.2 2.5
assign ( resid 40 and name HD2# ) ( resid 40 and name HA ) 5.0 3.2 1.5
assign ( resid 40 and name HG ) ( resid 40 and name HA ) 4.0 2.2 2.5
assign ( resid 40 and name HG ) ( resid 40 and name HB1 ) 2.8 1 2.5
assign ( resid 40 and name HG ) ( resid 40 and name HD1# ) 4.0 2.2 2.5
assign ( resid 40 and name HG ) ( resid 40 and name HD2# ) 4.0 2.2 2.5
assign ( resid 40 and name HN ) ( resid 40 and name HB1 ) 2.8 1 2
assign ( resid 40 and name HN ) ( resid 40 and name HB2 ) 2.8 1 2
assign ( resid 40 and name HN ) ( resid 40 and name HD1# ) 5.0 3.2 1.5
assign ( resid 40 and name HN ) ( resid 40 and name HD2# ) 5.0 3.2 1.5
assign ( resid 40 and name HN ) ( resid 40 and name HG ) 2.8 1 2.5
assign ( resid 41 and name HB1 ) ( resid 41 and name HA ) 2.8 1 2.5
assign ( resid 41 and name HE22 ) ( resid 41 and name HE21 ) 2.5 0.7 2.5
assign ( resid 41 and name HG1 ) ( resid 41 and name HA ) 4.0 2.2 2.5
assign ( resid 41 and name HG1 ) ( resid 41 and name HG2 ) 2.5 0.7 2.5
assign ( resid 41 and name HG2 ) ( resid 41 and name HA ) 4.0 2.2 2.5
assign ( resid 41 and name HN ) ( resid 41 and name HB1 ) 2.5 0.7 2
assign ( resid 41 and name HN ) ( resid 41 and name HG1 ) 4.0 2.2 2.5
assign ( resid 41 and name HN ) ( resid 41 and name HG2 ) 4.0 2.2 2.5
assign ( resid 42 and name HB1 ) ( resid 42 and name HA ) 2.8 1 2.5
assign ( resid 42 and name HG2 ) ( resid 42 and name HA ) 4.0 2.2 2.5
assign ( resid 42 and name HN ) ( resid 42 and name HB1 ) 2.8 1 2
assign ( resid 42 and name HN ) ( resid 42 and name HD1 ) 5.0 3.2 1.5
assign ( resid 42 and name HN ) ( resid 42 and name HG1 ) 2.8 1 2.5
assign ( resid 42 and name HN ) ( resid 42 and name HG2 ) 4.0 2.2 2.5
assign ( resid 43 and name HE21 ) ( resid 43 and name HG2 ) 5.0 3.2 1.5
assign ( resid 43 and name HE22 ) ( resid 43 and name HG2 ) 4.0 2.2 2.5
assign ( resid 43 and name HE22 ) ( resid 43 and name HN ) 5.0 3.2 1.5
assign ( resid 43 and name HN ) ( resid 43 and name HB1 ) 4.0 2.2 2
assign ( resid 43 and name HN ) ( resid 43 and name HB2 ) 2.8 1 2
assign ( resid 43 and name HN ) ( resid 43 and name HG2 ) 2.8 1 2.5
assign ( resid 44 and name HE22 ) ( resid 44 and name HE21 ) 2.5 0.7 2.5
assign ( resid 44 and name HN ) ( resid 44 and name HB1 ) 4.0 2.2 2
assign ( resid 44 and name HN ) ( resid 44 and name HG2 ) 4.0 2.2 2.5
assign ( resid 45 and name HA ) ( resid 45 and name HB1 ) 2.8 1 2
assign ( resid 45 and name HD22 ) ( resid 45 and name HD21 ) 2.5 0.7 2.5
assign ( resid 48 and name HB1 ) ( resid 48 and name HA ) 4.0 2.2 2.5
assign ( resid 49 and name HB1 ) ( resid 49 and name HA ) 4.0 2.2 2.5
assign ( resid 49 and name HB2 ) ( resid 49 and name HA ) 4.0 2.2 2.5
clas short
assign ( resid 16 and name HB2 ) ( resid 20 and name HN ) 4.0 2.2 2.5
assign ( resid 26 and name HB1 ) ( resid 30 and name HN ) 5.0 3.2 1.0
assign ( resid 31 and name HB1 ) ( resid 35 and name HB1 ) 4.0 2.2 2.5
assign ( resid 31 and name HB1 ) ( resid 35 and name HB2 ) 4.0 2.2 2.5
assign ( resid 31 and name HB2 ) ( resid 35 and name HB1 ) 4.0 2.2 2.5
assign ( resid 31 and name HB2 ) ( resid 35 and name HB2 ) 4.0 2.2 2.5
assign ( resid 31 and name HG2 ) ( resid 35 and name HB1 ) 4.0 2.2 2.5
assign ( resid 31 and name HG2 ) ( resid 35 and name HB2 ) 4.0 2.2 2.5
assign ( resid 34 and name HG2# ) ( resid 38 and name HG2 ) 5.0 3.2 1.5
assign ( resid 39 and name HD2 ) ( resid 43 and name HG2 ) 5.0 3.2 1.5
assign ( resid 16 and name HB1 ) ( resid 19 and name HN ) 5.0 3.2 1.5
assign ( resid 25 and name HB1 ) ( resid 28 and name HG2# ) 4.0 2.2 1.0
assign ( resid 25 and name HB1 ) ( resid 28 and name HN ) 4.0 2.2 2.5
assign ( resid 25 and name HB2 ) ( resid 28 and name HG2# ) 4.0 2.2 2.5
assign ( resid 25 and name HB2 ) ( resid 28 and name HN ) 2.8 1.0 1.2
assign ( resid 25 and name HD21 ) ( resid 28 and name HG2# ) 6.0 4.2 0.5
assign ( resid 25 and name HD22 ) ( resid 28 and name HG2# ) 4.0 2.2 2.5
assign ( resid 32 and name HB1 ) ( resid 35 and name HN ) 5.0 3.2 1.5
assign ( resid 32 and name HN ) ( resid 35 and name HB1 ) 4.0 2.2 2
assign ( resid 32 and name HN ) ( resid 35 and name HB2 ) 4.0 2.2 2
assign ( resid 34 and name HA ) ( resid 37 and name HB1 ) 4.0 2.2 2
assign ( resid 34 and name HA ) ( resid 37 and name HD1 ) 5.0 3.2 1.5
assign ( resid 34 and name HG1# ) ( resid 37 and name HB1 ) 5.0 3.2 1.5
assign ( resid 34 and name HG1# ) ( resid 37 and name HD1 ) 6.0 4.2 0.5
assign ( resid 34 and name HG1# ) ( resid 37 and name HG2 ) 4.0 2.2 2.5
assign ( resid 34 and name HG2# ) ( resid 37 and name HB1 ) 5.0 3.2 1.5
assign ( resid 34 and name HG2# ) ( resid 37 and name HD1 ) 5.0 3.2 1.5
assign ( resid 35 and name HB1 ) ( resid 38 and name HG1 ) 4.0 2.2 2.5
assign ( resid 36 and name HA ) ( resid 39 and name HA ) 4.0 2.2 2.5
assign ( resid 36 and name HA ) ( resid 39 and name HB1 ) 4.0 2.2 2
assign ( resid 36 and name HA ) ( resid 39 and name HB2 ) 4.0 2.2 2
assign ( resid 36 and name HA ) ( resid 39 and name HD2 ) 4.0 2.2 1.5
assign ( resid 37 and name HA ) ( resid 40 and name HA ) 3.0 0.7 3.5
assign ( resid 37 and name HA ) ( resid 40 and name HB1 ) 4.0 2.2 2
assign ( resid 37 and name HA ) ( resid 40 and name HB2 ) 4.0 2.2 2
assign ( resid 37 and name HA ) ( resid 40 and name HD1# ) 4.0 2.2 2.5
assign ( resid 37 and name HA ) ( resid 40 and name HD2# ) 4.0 2.2 2.5
assign ( resid 37 and name HA ) ( resid 40 and name HG ) 4.0 2.2 2.5
assign ( resid 37 and name HN ) ( resid 40 and name HD2# ) 6.0 4.2 0.5
assign ( resid 40 and name HD1# ) ( resid 43 and name HB2 ) 5.0 3.2 1.5
assign ( resid 40 and name HD1# ) ( resid 43 and name HG2 ) 5.0 3.2 1.5
assign ( resid 40 and name HD1# ) ( resid 43 and name HN ) 6.0 4.2 0.5
assign ( resid 40 and name HD2# ) ( resid 43 and name HB1 ) 5.0 3.2 1.5
assign ( resid 41 and name HG1 ) ( resid 44 and name HN ) 5.0 3.2 1.5
assign ( resid 16 and name HB2 ) ( resid 18 and name HN ) 4.0 2.2 2.5
assign ( resid 18 and name HB ) ( resid 20 and name HN ) 4.0 2.2 2.5
assign ( resid 18 and name HG2# ) ( resid 20 and name HN ) 5.0 3.2 1.5
assign ( resid 20 and name HN ) ( resid 16 and name HB1 ) 2.8 1.0 1.7
assign ( resid 25 and name HD22 ) ( resid 27 and name HB1 ) 5.0 3.2 1.5
assign ( resid 29 and name HB1 ) ( resid 31 and name HN ) 5.0 3.2 1.5
assign ( resid 29 and name HB2 ) ( resid 31 and name HN ) 4.0 2.2 2.5
assign ( resid 32 and name HB1 ) ( resid 34 and name HN ) 4.0 2.2 2.5
assign ( resid 32 and name HB2 ) ( resid 34 and name HN ) 5.0 3.2 1.5
assign ( resid 37 and name HB1 ) ( resid 39 and name HN ) 5.0 3.2 1.5
assign ( resid 40 and name HB1 ) ( resid 42 and name HN ) 5.0 3.2 1.5
clas seq
assign ( resid 10 and name HA ) ( resid 11 and name HD1 ) 4.0 2.2 2.5
assign ( resid 10 and name HA ) ( resid 11 and name HD2 ) 2.8 1 3.5
assign ( resid 12 and name HA1 ) ( resid 13 and name HD1 ) 4.0 2.2 2.5
assign ( resid 12 and name HA1 ) ( resid 13 and name HD2 ) 4.0 2.2 2.5
assign ( resid 12 and name HA2 ) ( resid 13 and name HD1 ) 4.0 2.2 2.5
assign ( resid 12 and name HA2 ) ( resid 13 and name HD2 ) 4.0 2.2 2.5
assign ( resid 13 and name HB1 ) ( resid 14 and name HN ) 4.0 2.2 2.5
assign ( resid 14 and name HA ) ( resid 15 and name HB1 ) 4.0 2.2 2
assign ( resid 14 and name HA ) ( resid 15 and name HD1# ) 5.0 3.2 1.5
assign ( resid 14 and name HA ) ( resid 15 and name HD2# ) 5.0 3.2 1.5
assign ( resid 14 and name HB1 ) ( resid 15 and name HN ) 2.8 1.0 1.7
assign ( resid 14 and name HG2 ) ( resid 15 and name HN ) 5.0 3.2 1.5
assign ( resid 14 and name HN ) ( resid 15 and name HD1# ) 5.0 3.2 1.5
assign ( resid 15 and name HA ) ( resid 16 and name HB1 ) 4.0 2.2 2
assign ( resid 15 and name HA ) ( resid 16 and name HB2 ) 4.0 2.2 2
assign ( resid 15 and name HB1 ) ( resid 16 and name HN ) 2.8 1 1.7
assign ( resid 15 and name HD1# ) ( resid 16 and name HN ) 3.0 1.2 1.5
assign ( resid 15 and name HD2# ) ( resid 16 and name HN ) 6.0 4.2 0.5
assign ( resid 16 and name HB1 ) ( resid 17 and name HN ) 4.0 2.2 2.5
assign ( resid 16 and name HB2 ) ( resid 17 and name HN ) 4.0 2.2 2.5
assign ( resid 17 and name HA ) ( resid 18 and name HG2# ) 5.0 3.2 1.5
assign ( resid 17 and name HB1 ) ( resid 18 and name HN ) 5.0 3.2 1.5
assign ( resid 17 and name HB2 ) ( resid 18 and name HN ) 5.0 3.2 1.5
assign ( resid 17 and name HN ) ( resid 18 and name HG2# ) 5.0 3.2 1.5
assign ( resid 18 and name HB ) ( resid 19 and name HN ) 4.0 2.2 2.5
assign ( resid 18 and name HG2# ) ( resid 19 and name HN ) 4.0 2.2 0.5
assign ( resid 19 and name HN ) ( resid 20 and name HB2 ) 5.0 3.2 1.5
assign ( resid 20 and name HB1 ) ( resid 21 and name HN ) 4.0 2.2 2.5
assign ( resid 20 and name HB2 ) ( resid 21 and name HN ) 5.0 3.2 1.5
assign ( resid 22 and name HA ) ( resid 23 and name HB2 ) 5.0 3.2 1.5
assign ( resid 22 and name HB1 ) ( resid 23 and name HN ) 2.8 1 2.5
assign ( resid 22 and name HB2 ) ( resid 23 and name HN ) 4.0 2.2 2.5
assign ( resid 23 and name HB1 ) ( resid 24 and name HN ) 4.0 2.2 2.5
assign ( resid 23 and name HB2 ) ( resid 24 and name HN ) 4.0 2.2 2.5
assign ( resid 24 and name HA1 ) ( resid 25 and name HB1 ) 5.0 3.2 1.5
assign ( resid 24 and name HA2 ) ( resid 25 and name HB1 ) 5.0 3.2 1.5
assign ( resid 24 and name HA2 ) ( resid 25 and name HB2 ) 5.0 3.2 1.5
assign ( resid 25 and name HA ) ( resid 26 and name HD1 ) 2.8 1 1.7
assign ( resid 25 and name HA ) ( resid 26 and name HD2 ) 2.8 1 1.7
assign ( resid 25 and name HA ) ( resid 26 and name HG2 ) 4.0 2.2 2.5
assign ( resid 25 and name HB1 ) ( resid 26 and name HD1 ) 5.0 3.2 1.5
assign ( resid 25 and name HB2 ) ( resid 26 and name HD1 ) 5.0 3.2 1.5
assign ( resid 26 and name HB1 ) ( resid 27 and name HN ) 5.0 3.2 1.5
assign ( resid 26 and name HD1 ) ( resid 27 and name HN ) 5.0 3.2 1.5
assign ( resid 26 and name HG2 ) ( resid 27 and name HN ) 5.0 3.2 1.5
assign ( resid 27 and name HA ) ( resid 28 and name HA ) 4.0 2.2 2.5
assign ( resid 27 and name HA ) ( resid 28 and name HG2# ) 4.0 2.2 1.0
assign ( resid 27 and name HB1 ) ( resid 28 and name HG2# ) 4.0 2.2 0.5
assign ( resid 27 and name HB1 ) ( resid 28 and name HN ) 4.0 2.2 2.5
assign ( resid 27 and name HB2 ) ( resid 28 and name HG2# ) 4.0 2.2 0.5
assign ( resid 27 and name HB2 ) ( resid 28 and name HN ) 5.0 3.2 1.5
assign ( resid 28 and name HA ) ( resid 29 and name HB2 ) 5.0 3.2 1.5
assign ( resid 28 and name HA ) ( resid 29 and name HD22 ) 5.0 3.2 1.5
assign ( resid 29 and name HB2 ) ( resid 30 and name HN ) 4.0 2.2 2.5
assign ( resid 30 and name HA1 ) ( resid 31 and name HA ) 5.0 3.2 1.5
assign ( resid 30 and name HA2 ) ( resid 31 and name HA ) 5.0 3.2 1.5
assign ( resid 30 and name HN ) ( resid 31 and name HB2 ) 4.0 2.2 2
assign ( resid 30 and name HN ) ( resid 31 and name HG2 ) 4.0 2.2 2.5
assign ( resid 31 and name HA ) ( resid 32 and name HA ) 5.0 3.2 1.5
assign ( resid 31 and name HB1 ) ( resid 32 and name HN ) 4.0 2.2 2.5
assign ( resid 31 and name HB2 ) ( resid 32 and name HN ) 4.0 2.2 2.5
assign ( resid 31 and name HG2 ) ( resid 32 and name HN ) 4.0 2.2 2.5
assign ( resid 32 and name HA ) ( resid 33 and name HB1 ) 4.0 2.2 2
assign ( resid 32 and name HB1 ) ( resid 33 and name HB1 ) 4.0 2.2 2.5
assign ( resid 32 and name HB1 ) ( resid 33 and name HN ) 4.0 2.2 2.5
assign ( resid 32 and name HB2 ) ( resid 33 and name HB1 ) 5.0 3.2 1.5
assign ( resid 32 and name HB2 ) ( resid 33 and name HN ) 2.8 1.0 1.7
assign ( resid 33 and name HA ) ( resid 34 and name HG1# ) 6.0 4.2 0.5
assign ( resid 33 and name HB1 ) ( resid 34 and name HG1# ) 4.0 2.2 2.5
assign ( resid 33 and name HB1 ) ( resid 34 and name HN ) 2.8 1 2.5
assign ( resid 33 and name HN ) ( resid 34 and name HG1# ) 6.0 4.2 0.5
assign ( resid 34 and name HB ) ( resid 35 and name HA ) 4.0 2.2 2.5
assign ( resid 34 and name HB ) ( resid 35 and name HN ) 2.8 1 1.2
assign ( resid 34 and name HG1# ) ( resid 35 and name HB1 ) 6.0 4.2 0.5
assign ( resid 34 and name HG1# ) ( resid 35 and name HN ) 4.0 2.2 2.5
assign ( resid 34 and name HG2# ) ( resid 35 and name HA ) 4.0 2.2 2.5
assign ( resid 34 and name HG2# ) ( resid 35 and name HB1 ) 5.0 3.2 1.5
assign ( resid 34 and name HG2# ) ( resid 35 and name HN ) 4.0 2.2 2.5
assign ( resid 34 and name HN ) ( resid 35 and name HB1 ) 4.0 2.2 2.5
assign ( resid 35 and name HB1 ) ( resid 36 and name HN ) 2.8 1 2.5
assign ( resid 36 and name HB1 ) ( resid 37 and name HN ) 2.8 1 2.5
assign ( resid 36 and name HB2 ) ( resid 37 and name HN ) 4.0 2.2 2.5
assign ( resid 36 and name HN ) ( resid 37 and name HB1 ) 4.0 2.2 2
assign ( resid 37 and name HB1 ) ( resid 38 and name HN ) 2.8 1 2.5
assign ( resid 37 and name HE2 ) ( resid 38 and name HN ) 4.0 2.2 2.5
assign ( resid 37 and name HG2 ) ( resid 38 and name HN ) 4.0 2.2 2.5
assign ( resid 38 and name HB1 ) ( resid 39 and name HN ) 2.8 1 2.5
assign ( resid 38 and name HG1 ) ( resid 39 and name HN ) 4.0 2.2 2.5
assign ( resid 38 and name HG2 ) ( resid 39 and name HN ) 5.0 3.2 1.5
assign ( resid 38 and name HN ) ( resid 39 and name HB1 ) 5.0 3.2 1.5
assign ( resid 39 and name HB1 ) ( resid 40 and name HN ) 2.8 1 2.5
assign ( resid 39 and name HB2 ) ( resid 40 and name HN ) 4.0 2.2 2.5
assign ( resid 39 and name HE1 ) ( resid 40 and name HD1# ) 6.0 4.2 0.5
assign ( resid 39 and name HD2 ) ( resid 40 and name HA ) 4.0 2.2 2.5
assign ( resid 39 and name HD2 ) ( resid 40 and name HD1# ) 4.0 2.2 2.5
assign ( resid 39 and name HD2 ) ( resid 40 and name HD2# ) 5.0 3.2 1.5
assign ( resid 39 and name HD2 ) ( resid 40 and name HG ) 4.0 2.2 2.5
assign ( resid 39 and name HD2 ) ( resid 40 and name HN ) 3.0 1.2 1.5
assign ( resid 40 and name HD2 ) ( resid 41 and name HN ) 2.8 1 2.5
assign ( resid 40 and name HB2 ) ( resid 41 and name HN ) 4.0 2.2 2.5
assign ( resid 40 and name HD1# ) ( resid 41 and name HN ) 5.0 3.2 1.5
assign ( resid 40 and name HD2# ) ( resid 41 and name HA ) 5.0 3.2 1.5
assign ( resid 40 and name HD2# ) ( resid 41 and name HN ) 5.0 3.2 1.5
assign ( resid 40 and name HG ) ( resid 41 and name HN ) 4.0 2.2 2.5
assign ( resid 40 and name HN ) ( resid 41 and name HB1 ) 4.0 2.2 2
assign ( resid 41 and name HB1 ) ( resid 42 and name HN ) 2.8 1 2.5
assign ( resid 42 and name HB1 ) ( resid 43 and name HN ) 4.0 2.2 2.5
assign ( resid 42 and name HG1 ) ( resid 43 and name HN ) 5.0 3.2 1.5
assign ( resid 42 and name HG2 ) ( resid 43 and name HN ) 5.0 3.2 1.5
assign ( resid 43 and name HB2 ) ( resid 44 and name HN ) 5.0 3.2 1.5
clas long
assign ( resid 14 and name HB1 ) ( resid 24 and name HN ) 5.0 3.2 1.5
assign ( resid 14 and name HG2 ) ( resid 24 and name HN ) 5.0 3.2 1.5
assign ( resid 15 and name HB1 ) ( resid 21 and name HN ) 5.0 3.2 1.5
assign ( resid 15 and name HD1# ) ( resid 21 and name HA1 ) 5.0 3.2 1.5
assign ( resid 15 and name HD1# ) ( resid 21 and name HA2 ) 4.0 2.2 2.5
assign ( resid 15 and name HD1# ) ( resid 21 and name HN ) 5.0 3.2 1.5
assign ( resid 15 and name HD2# ) ( resid 21 and name HA1 ) 5.0 3.2 1.5
assign ( resid 15 and name HD2# ) ( resid 21 and name HA2 ) 4.0 2.2 2.5
assign ( resid 15 and name HD2# ) ( resid 21 and name HN ) 6.0 4.2 0.5
assign ( resid 15 and name HB1 ) ( resid 22 and name HN ) 5.0 3.2 1.5
assign ( resid 15 and name HD1# ) ( resid 22 and name HN ) 5.0 3.2 1.5
assign ( resid 15 and name HA ) ( resid 23 and name HA ) 3.0 1.2 1.0
assign ( resid 15 and name HB1 ) ( resid 23 and name HA ) 4.0 2.2 2.5
assign ( resid 15 and name HD1# ) ( resid 23 and name HA ) 4.0 2.2 2.5
assign ( resid 15 and name HD1# ) ( resid 23 and name HN ) 6.0 4.2 0.5
assign ( resid 15 and name HD1# ) ( resid 24 and name HN ) 5.0 3.2 1.5
assign ( resid 15 and name HG ) ( resid 24 and name HN ) 5.0 3.2 1.5
assign ( resid 16 and name HB1 ) ( resid 22 and name HN ) 5.0 3.2 1.5
assign ( resid 16 and name HB2 ) ( resid 22 and name HN ) 5.0 3.2 1.5
assign ( resid 16 and name HB2 ) ( resid 24 and name HN ) 5.0 3.2 1.5
assign ( resid 16 and name HA ) ( resid 31 and name HA ) 3.0 1.2 1.5
assign ( resid 16 and name HB1 ) ( resid 31 and name HA ) 5.0 3.2 1.5
assign ( resid 16 and name HB2 ) ( resid 31 and name HA ) 4.0 2.2 2.5
assign ( resid 16 and name HB1 ) ( resid 32 and name HB2 ) 4.0 2.2 2.5
assign ( resid 16 and name HB1 ) ( resid 32 and name HN ) 4.0 2.2 2.5
assign ( resid 16 and name HB2 ) ( resid 32 and name HA ) 5.0 3.2 1.5
assign ( resid 16 and name HB2 ) ( resid 32 and name HB1 ) 2.8 1 2.5
assign ( resid 16 and name HB2 ) ( resid 32 and name HB2 ) 4.0 2.2 2.5
assign ( resid 16 and name HB2 ) ( resid 32 and name HN ) 4.0 2.2 2.5
assign ( resid 16 and name HN ) ( resid 32 and name HB2 ) 4.5 2.2 1.5
assign ( resid 17 and name HN ) ( resid 31 and name HG2 ) 4.0 2.2 2.5
assign ( resid 18 and name HG2# ) ( resid 31 and name HA ) 5.0 3.2 1.5
assign ( resid 18 and name HG2# ) ( resid 31 and name HB2 ) 5.0 3.2 1.5
assign ( resid 18 and name HG2# ) ( resid 31 and name HG2 ) 4.0 2.2 0.5
assign ( resid 18 and name HN ) ( resid 31 and name HG2 ) 4.0 2.2 2.5
assign ( resid 18 and name HG2# ) ( resid 32 and name HN ) 4.0 2.2 1.0
assign ( resid 18 and name HG2# ) ( resid 35 and name HA ) 5.0 3.2 1.5
assign ( resid 18 and name HG2# ) ( resid 35 and name HB1 ) 4.0 2.2 2.5
assign ( resid 18 and name HG2# ) ( resid 35 and name HB2 ) 4.0 2.2 2.5
assign ( resid 18 and name HG2# ) ( resid 35 and name HN ) 6.0 4.2 0.5
assign ( resid 18 and name HG2# ) ( resid 36 and name HN ) 6.0 4.2 0.5
!assign ( resid 18 and name HG2# ) ( resid 39 and name HE1 ) 6.0 4.2 0.5
assign ( resid 18 and name HG2# ) ( resid 39 and name HE1 ) 4.5 2.2 0.5
assign ( resid 18 and name HG2# ) ( resid 39 and name HD2 ) 6.0 4.2 0.5
assign ( resid 22 and name HB1 ) ( resid 32 and name HB2 ) 4.0 2.2 1.0
assign ( resid 22 and name HB2 ) ( resid 32 and name HB1 ) 2.8 1 2.2
assign ( resid 22 and name HB2 ) ( resid 32 and name HB2 ) 2.8 1 2.2
assign ( resid 23 and name HN ) ( resid 32 and name HB1 ) 4.0 2.2 2
assign ( resid 23 and name HN ) ( resid 32 and name HB2 ) 4.8 2.0 1.0
assign ( resid 24 and name HA1 ) ( resid 31 and name HA ) 4.0 2.2 2.5
assign ( resid 24 and name HA2 ) ( resid 31 and name HA ) 5.0 3.2 1.5
assign ( resid 24 and name HA1 ) ( resid 32 and name HA ) 4.0 2.2 2.5
assign ( resid 24 and name HA2 ) ( resid 32 and name HA ) 4.0 2.2 2.5
assign ( resid 28 and name HG2# ) ( resid 33 and name HA ) 4.0 2.2 1.0
assign ( resid 28 and name HG2# ) ( resid 36 and name HB1 ) 5.0 3.2 1.5
assign ( resid 28 and name HG2# ) ( resid 36 and name HB2 ) 4.0 2.2 1.0
assign ( resid 31 and name HA ) ( resid 35 and name HB1 ) 4.0 2.2 2
assign ( resid 31 and name HB1 ) ( resid 36 and name HA ) 4.0 2.2 2.5
assign ( resid 31 and name HB1 ) ( resid 36 and name HB1 ) 4.0 2.2 2.5
assign ( resid 31 and name HB1 ) ( resid 36 and name HB2 ) 4.0 2.2 2.5
assign ( resid 31 and name HB1 ) ( resid 36 and name HN ) 4.0 2.2 2.5
assign ( resid 31 and name HB2 ) ( resid 36 and name HB1 ) 4.0 2.2 2.5
assign ( resid 31 and name HB2 ) ( resid 36 and name HB2 ) 5.0 3.2 1.5
assign ( resid 31 and name HB2 ) ( resid 36 and name HN ) 4.0 2.2 2.5
assign ( resid 31 and name HG2 ) ( resid 36 and name HN ) 5.0 3.2 1.5
assign ( resid 31 and name HN ) ( resid 36 and name HB1 ) 4.5 2.7 1.5
assign ( resid 39 and name HD2 ) ( resid 29 and name HB1 ) 4 2.2 1.0
assign ( resid 39 and name HD2 ) ( resid 29 and name HB2 ) 3.8 2.0 1.2
!! { Dihedral Angle Restraints }
!!phi C(i-1)-N(i)-CA(i)-C(i)

! S2 
assign 
      (resid    1   and name C     )
      (resid    2   and name N     )
      (resid    2   and name CA    )
      (resid    2   and name C     )     1  -77.39  60.00 2 

! M3 
assign 
      (resid    2   and name C     )
      (resid    3   and name N     )
      (resid    3   and name CA    )
      (resid    3   and name C     )     1  -95.16  60.00 2 

! A4 
assign 
      (resid    3   and name C     )
      (resid    4   and name N     )
      (resid    4   and name CA    )
      (resid    4   and name C     )     1  -87.92  50.00 2 

! Q5 
assign 
      (resid    4   and name C     )
      (resid    5   and name N     )
      (resid    5   and name CA    )
      (resid    5   and name C     )     1  -87.35  50.00 2 

! E6 
assign 
      (resid    5   and name C     )
      (resid    6   and name N     )
      (resid    6   and name CA    )
      (resid    6   and name C     )     1  -92.50  50.00 2 

! T7 
assign 
      (resid    6   and name C     )
      (resid    7   and name N     )
      (resid    7   and name CA    )
      (resid    7   and name C     )     1  -95.60  50.00 2 

! N8 
assign 
      (resid    7   and name C     )
      (resid    8   and name N     )
      (resid    8   and name CA    )
      (resid    8   and name C     )     1  -81.33  50.00 2 

! Q9 
assign 
      (resid    8   and name C     )
      (resid    9   and name N     )
      (resid    9   and name CA    )
      (resid    9   and name C     )     1  -88.51  50.00 2 

! T10 
assign 
      (resid    9   and name C     )
      (resid    10   and name N     )
      (resid    10   and name CA    )
      (resid    10   and name C     )     1  -136.74  50.00 2 

! P11 
assign 
      (resid    10   and name C     )
      (resid    11   and name N     )
      (resid    11   and name CA    )
      (resid    11   and name C     )     1  -82.51  50.00 2 

! G12 
!assign 
      !(resid    11   and name C     )
      !(resid    12   and name N     )
      !(resid    12   and name CA    )
      !(resid    12   and name C     )     1  89.28  50.00 2 

! P13 
assign 
      (resid    12   and name C     )
      (resid    13   and name N     )
      (resid    13   and name CA    )
      (resid    13   and name C     )     1  -81.06  50.00 2 

! M14 
assign 
      (resid    13   and name C     )
      (resid    14   and name N     )
      (resid    14   and name CA    )
      (resid    14   and name C     )     1  -50.60  20.00 2 

! L15 
assign 
      (resid    14   and name C     )
      (resid    15   and name N     )
      (resid    15   and name CA    )
      (resid    15   and name C     )     1  -83.94  30.00 2 

! C16 
assign 
      (resid    15   and name C     )
      (resid    16   and name N     )
      (resid    16   and name CA    )
      (resid    16   and name C     )     1  -59.75  30.00 2 

! S17 
assign 
      (resid    16   and name C     )
      (resid    17   and name N     )
      (resid    17   and name CA    )
      (resid    17   and name C     )     1  -65.87  20.00 2 

! T18 
assign 
      (resid    17   and name C     )
      (resid    18   and name N     )
      (resid    18   and name CA    )
      (resid    18   and name C     )     1  -84.62  30.00 2 
 
! G19 
assign 
      (resid    18   and name C     )
      (resid    19   and name N     )
      (resid    19   and name CA    )
      (resid    19   and name C     )     1  80.00  20.00 2
! C20 
assign 
      (resid    19   and name C     )
      (resid    20   and name N     )
      (resid    20   and name CA    )
      (resid    20   and name C     )     1  -56.17  30.00 2 

! G21 
assign 
      (resid    20   and name C     )
      (resid    21   and name N     )
      (resid    21   and name CA    )
      (resid    21   and name C     )     1  101.11  30.00 2 

! F22 
assign 
      (resid    21   and name C     )
      (resid    22   and name N     )
      (resid    22   and name CA    )
      (resid    22   and name C     )     1  -84.04  30.00 2 

! Y23 
assign 
      (resid    22   and name C     )
      (resid    23   and name N     )
      (resid    23   and name CA    )
      (resid    23   and name C     )     1  -70.20  25.00 2 
 

! 24 
assign 
      (resid    23   and name C     )
      (resid    24   and name N     )
      (resid    24   and name CA    )
      (resid    24   and name C     )     1  -90.20  40.00 2 
 

! N25 
assign 
      (resid    24   and name C     )
      (resid    25   and name N     )
      (resid    25   and name CA    )
      (resid    25   and name C     )     1  -120.68  20.00 2 

! P26 
assign 
      (resid    25   and name C     )
      (resid    26   and name N     )
      (resid    26   and name CA    )
      (resid    26   and name C     )     1  -60.00  15.00 2 

! R27 
assign 
      (resid    26   and name C     )
      (resid    27   and name N     )
      (resid    27   and name CA    )
      (resid    27   and name C     )     1  -75.04  15.00 2 

! T28 
assign 
      (resid    27   and name C     )
      (resid    28   and name N     )
      (resid    28   and name CA    )
      (resid    28   and name C     )     1  -77.67  20.00 2 

! N29 
assign 
      (resid    28   and name C     )
      (resid    29   and name N     )
      (resid    29   and name CA    )
      (resid    29   and name C     )     1  -75.97  13.00 2 
 

! M31 
assign 
      (resid    30   and name C     )
      (resid    31   and name N     )
      (resid    31   and name CA    )
      (resid    31   and name C     )     1  -129.88  30.00 2 

! C32 
assign 
      (resid    31   and name C     )
      (resid    32   and name N     )
      (resid    32   and name CA    )
      (resid    32   and name C     )     1  -76.97  30.00 2 

! S33 
assign 
      (resid    32   and name C     )
      (resid    33   and name N     )
      (resid    33   and name CA    )
      (resid    33   and name C     )     1  -60.00  15.00 2 

! V34 
assign 
      (resid    33   and name C     )
      (resid    34   and name N     )
      (resid    34   and name CA    )
      (resid    34   and name C     )     1  -62.95  10.00 2 

! C35 
assign 
      (resid    34   and name C     )
      (resid    35   and name N     )
      (resid    35   and name CA    )
      (resid    35   and name C     )     1  -62.38  10.00 2 

! Y36 
assign 
      (resid    35   and name C     )
      (resid    36   and name N     )
      (resid    36   and name CA    )
      (resid    36   and name C     )     1  -59.40  10.00 2 

! K37 
assign 
      (resid    36   and name C     )
      (resid    37   and name N     )
      (resid    37   and name CA    )
      (resid    37   and name C     )     1  -65.81  10.00 2 

! E38 
assign 
      (resid    37   and name C     )
      (resid    38   and name N     )
      (resid    38   and name CA    )
      (resid    38   and name C     )     1  -65.03  10.00 2 

! H39 
assign 
      (resid    38   and name C     )
      (resid    39   and name N     )
      (resid    39   and name CA    )
      (resid    39   and name C     )     1  -72.12  12.00 2 

! L40 
assign 
      (resid    39   and name C     )
      (resid    40   and name N     )
      (resid    40   and name CA    )
      (resid    40   and name C     )     1  -62.56  13.00 2 

! Q41 
assign 
      (resid    40   and name C     )
      (resid    41   and name N     )
      (resid    41   and name CA    )
      (resid    41   and name C     )     1  -65.37  13.00 2 

! R42 
assign 
      (resid    41   and name C     )
      (resid    42   and name N     )
      (resid    42   and name CA    )
      (resid    42   and name C     )     1  -63.37  30.00 2 

! Q43 
assign 
      (resid    42   and name C     )
      (resid    43   and name N     )
      (resid    43   and name CA    )
      (resid    43   and name C     )     1  -66.13  15.00 2 

! Q44 
assign 
      (resid    43   and name C     )
      (resid    44   and name N     )
      (resid    44   and name CA    )
      (resid    44   and name C     )     1  -60.72  20.00 2 

! N45 
assign 
      (resid    44   and name C     )
      (resid    45   and name N     )
      (resid    45   and name CA    )
      (resid    45   and name C     )     1  -60.92  50.00 2 

! S46 
assign 
      (resid    45   and name C     )
      (resid    46   and name N     )
      (resid    46   and name CA    )
      (resid    46   and name C     )     1  -90.37  50.00 2 

! G47 
assign 
      (resid    46   and name C     )
      (resid    47   and name N     )
      (resid    47   and name CA    )
      (resid    47   and name C     )     1  85.89  60.00 2 

! R48 
assign 
      (resid    47   and name C     )
      (resid    48   and name N     )
      (resid    48   and name CA    )
      (resid    48   and name C     )     1  -83.88  60.00 2 

! M49 
assign 
      (resid    48   and name C     )
      (resid    49   and name N     )
      (resid    49   and name CA    )
      (resid    49   and name C     )     1  -72.26  50.00 2 

! S50 
assign 
      (resid    49   and name C     )
      (resid    50   and name N     )
      (resid    50   and name CA    )
      (resid    50   and name C     )     1  -138.59  50.00 2 

! P51 
assign 
      (resid    50   and name C     )
      (resid    51   and name N     )
      (resid    51   and name CA    )
      (resid    51   and name C     )     1  -69.97  50.00 2 

! M52 
assign 
      (resid    51   and name C     )
      (resid    52   and name N     )
      (resid    52   and name CA    )
      (resid    52   and name C     )     1  -92.86  50.00 2 

! G53 
assign 
      (resid    52   and name C     )
      (resid    53   and name N     )
      (resid    53   and name CA    )
      (resid    53   and name C     )     1  95.15  50.00 2 

! T54 
assign 
      (resid    53   and name C     )
      (resid    54   and name N     )
      (resid    54   and name CA    )
      (resid    54   and name C     )     1  -95.04  50.00 2 

! A55 
assign 
      (resid    54   and name C     )
      (resid    55   and name N     )
      (resid    55   and name CA    )
      (resid    55   and name C     )     1  -85.21  60.00 2 

! S56 
assign 
      (resid    55   and name C     )
      (resid    56   and name N     )
      (resid    56   and name CA    )
      (resid    56   and name C     )     1  -92.13  60.00 2 

! G57 
assign 
      (resid    56   and name C     )
      (resid    57   and name N     )
      (resid    57   and name CA    )
      (resid    57   and name C     )     1  65.62  60.00 2 

! S58 
assign 
      (resid    57   and name C     )
      (resid    58   and name N     )
      (resid    58   and name CA    )
      (resid    58   and name C     )     1  -94.05  60.00 2 

! N59 
assign 
      (resid    58   and name C     )
      (resid    59   and name N     )
      (resid    59   and name CA    )
      (resid    59   and name C     )     1  -90.50  20.00 2 

! S60 
assign 
      (resid    59   and name C     )
      (resid    60   and name N     )
      (resid    60   and name CA    )
      (resid    60   and name C     )     1  -122.52  60.00 2 

! P61 
assign 
      (resid    60   and name C     )
      (resid    61   and name N     )
      (resid    61   and name CA    )
      (resid    61   and name C     )     1  -71.87  60.00 2 


!! { Dihedral Angle Restraints }
!!psi N(i)-CA(i)-C(i)-N(i+1)

 

! A4 
assign 
      (resid    4   and name N     )
      (resid    4   and name CA    )
      (resid    4   and name C     )
      (resid    5   and name N     )      1  -15.98  52.00 2 

! Q5 
assign 
      (resid    5   and name N     )
      (resid    5   and name CA    )
      (resid    5   and name C     )
      (resid    6   and name N     )      1  -8.47  52.00 2 
 

! T7 
assign 
      (resid    7   and name N     )
      (resid    7   and name CA    )
      (resid    7   and name C     )
      (resid    8   and name N     )      1  153.71  52.00 2 

! N8 
assign 
      (resid    8   and name N     )
      (resid    8   and name CA    )
      (resid    8   and name C     )
      (resid    9   and name N     )      1  -13.96  52.00 2 

! Q9 
assign 
      (resid    9   and name N     )
      (resid    9   and name CA    )
      (resid    9   and name C     )
      (resid    10   and name N     )      1  130.59  52.00 2 

! T10 
assign 
      (resid    10   and name N     )
      (resid    10   and name CA    )
      (resid    10   and name C     )
      (resid    11   and name N     )      1  142.87  52.00 2 

! P11 
assign 
      (resid    11   and name N     )
      (resid    11   and name CA    )
      (resid    11   and name C     )
      (resid    12   and name N     )      1  143.12  52.00 2 

! G12 
assign 
      (resid    12   and name N     )
      (resid    12   and name CA    )
      (resid    12   and name C     )
      (resid    13   and name N     )      1  -10.07  52.00 2 

! P13 
!assign 
      !(resid    13   and name N     )
      !(resid    13   and name CA    )
      !(resid    13   and name C     )
      !(resid    14   and name N     )      1  -2.60  52.00 2 

! M14 
assign 
      (resid    14   and name N     )
      (resid    14   and name CA    )
      (resid    14   and name C     )
      (resid    15   and name N     )      1  95.50  30.00 2 

! L15 
assign 
      (resid    15   and name N     )
      (resid    15   and name CA    )
      (resid    15   and name C     )
      (resid    16   and name N     )      1  120.00  25.00 2
! C16 
assign 
      (resid    15   and name N     )
      (resid    15   and name CA    )
      (resid    15   and name C     )
      (resid    16   and name N     )      1  120.00  30.00 2 
 

! S17 
assign 
      (resid    17   and name N     )
      (resid    17   and name CA    )
      (resid    17   and name C     )
      (resid    18   and name N     )      1  -36.31  21.00 2 

! T18 
assign 
      (resid    18   and name N     )
      (resid    18   and name CA    )
      (resid    18   and name C     )
      (resid    19   and name N     )      1  -8.67  50.00 2 

! G19 
assign 
      (resid    19   and name N     )
      (resid    19   and name CA    )
      (resid    19   and name C     )
      (resid    20   and name N     )      1  20.17  22.00 2 

! C20 
assign 
      (resid    20   and name N     )
      (resid    20   and name CA    )
      (resid    20   and name C     )
      (resid    21   and name N     )      1  -10.68  32.00 2 

! G21 
assign 
      (resid    21   and name N     )
      (resid    21   and name CA    )
      (resid    21   and name C     )
      (resid    22   and name N     )      1  -10.77  42.00 2  

! Y23 
assign 
      (resid    23   and name N     )
      (resid    23   and name CA    )
      (resid    23   and name C     )
      (resid    24   and name N     )      1  120.0  25.00 2 

! N25 
assign 
      (resid    25   and name N     )
      (resid    25   and name CA    )
      (resid    25   and name C     )
      (resid    26   and name N     )      1  130.15  22.00 2 

! P26 
assign 
      (resid    26   and name N     )
      (resid    26   and name CA    )
      (resid    26   and name C     )
      (resid    27   and name N     )      1  -26.33  15.00 2 

! R27 
assign 
      (resid    27   and name N     )
      (resid    27   and name CA    )
      (resid    27   and name C     )
      (resid    28   and name N     )      1  -34.10  15.00 2 
 

! T28 
assign 
      (resid    28   and name N     )
      (resid    28   and name CA    )
      (resid    28   and name C     )
      (resid    29   and name N     )      1  -175.0  25.00 2
! N29 
assign 
      (resid    29   and name N     )
      (resid    29   and name CA    )
      (resid    29   and name C     )
      (resid    30   and name N     )      1  10.0  15.00 2 

! G30 
assign 
      (resid    30   and name N     )
      (resid    30   and name CA    )
      (resid    30   and name C     )
      (resid    31   and name N     )      1  -3.28  20.00 2 

! M31 
assign 
      (resid    31   and name N     )
      (resid    31   and name CA    )
      (resid    31   and name C     )
      (resid    32   and name N     )      1  150.49  25.00 2 

! C32 
assign 
      (resid    32   and name N     )
      (resid    32   and name CA    )
      (resid    32   and name C     )
      (resid    33   and name N     )      1  -180.00  25.00 2 

! S33 
assign 
      (resid    33   and name N     )
      (resid    33   and name CA    )
      (resid    33   and name C     )
      (resid    34   and name N     )      1  -40.00  11.00 2 

! V34 
assign 
      (resid    34   and name N     )
      (resid    34   and name CA    )
      (resid    34   and name C     )
      (resid    35   and name N     )      1  -50.00  13.00 2 

! C35 
assign 
      (resid    35   and name N     )
      (resid    35   and name CA    )
      (resid    35   and name C     )
      (resid    36   and name N     )      1  -47.00  11.00 2 

! Y36 
assign 
      (resid    36   and name N     )
      (resid    36   and name CA    )
      (resid    36   and name C     )
      (resid    37   and name N     )      1  -40.01  11.00 2 

! K37 
assign 
      (resid    37   and name N     )
      (resid    37   and name CA    )
      (resid    37   and name C     )
      (resid    38   and name N     )      1  -43.15  11.00 2 

! E38 
assign 
      (resid    38   and name N     )
      (resid    38   and name CA    )
      (resid    38   and name C     )
      (resid    39   and name N     )      1  -40.11  11.00 2 

! H39 
assign 
      (resid    39   and name N     )
      (resid    39   and name CA    )
      (resid    39   and name C     )
      (resid    40   and name N     )      1  -45.08  11.00 2 

! L40 
assign 
      (resid    40   and name N     )
      (resid    40   and name CA    )
      (resid    40   and name C     )
      (resid    41   and name N     )      1  -36.78  10.00 2 

! Q41 
assign 
      (resid    41   and name N     )
      (resid    41   and name CA    )
      (resid    41   and name C     )
      (resid    42   and name N     )      1  -39.12  11.00 2 

! R42 
assign 
      (resid    42   and name N     )
      (resid    42   and name CA    )
      (resid    42   and name C     )
      (resid    43   and name N     )      1  -42.10  11.00 2 

! Q43 
assign 
      (resid    43   and name N     )
      (resid    43   and name CA    )
      (resid    43   and name C     )
      (resid    44   and name N     )      1  -42.32  16.00 2 

! Q44 
assign 
      (resid    44   and name N     )
      (resid    44   and name CA    )
      (resid    44   and name C     )
      (resid    45   and name N     )      1  -24.17  42.00 2 

! N45 
assign 
      (resid    45   and name N     )
      (resid    45   and name CA    )
      (resid    45   and name C     )
      (resid    46   and name N     )      1  -30.91  25.00 2 

! S46 
assign 
      (resid    46   and name N     )
      (resid    46   and name CA    )
      (resid    46   and name C     )
      (resid    47   and name N     )      1  -20.26  52.00 2 

! G47 
assign 
      (resid    47   and name N     )
      (resid    47   and name CA    )
      (resid    47   and name C     )
      (resid    48   and name N     )      1  6.25  62.00 2 

! S50 
assign 
      (resid    50   and name N     )
      (resid    50   and name CA    )
      (resid    50   and name C     )
      (resid    51   and name N     )      1  146.44  52.00 2 


! G53 
assign 
      (resid    53   and name N     )
      (resid    53   and name CA    )
      (resid    53   and name C     )
      (resid    54   and name N     )      1  -15.61  52.00 2 

! T54 
assign 
      (resid    54   and name N     )
      (resid    54   and name CA    )
      (resid    54   and name C     )
      (resid    55   and name N     )      1  158.33  52.00 2 
 

! G57 
assign 
      (resid    57   and name N     )
      (resid    57   and name CA    )
      (resid    57   and name C     )
      (resid    58   and name N     )      1  18.00  62.00 2 

! S58 
assign 
      (resid    58   and name N     )
      (resid    58   and name CA    )
      (resid    58   and name C     )
      (resid    59   and name N     )      1  -7.12  62.00 2 

! N59 
assign 
      (resid    59   and name N     )
      (resid    59   and name CA    )
      (resid    59   and name C     )
      (resid    60   and name N     )      1  130.94  22.00 2 

! S60 
assign 
      (resid    60   and name N     )
      (resid    60   and name CA    )
      (resid    60   and name C     )
      (resid    61   and name N     )      1  143.21  62.00 2 

! P61 
assign 
      (resid    61   and name N     )
      (resid    61   and name CA    )
      (resid    61   and name C     )
      (resid    62   and name N     )      1  139.31  62.00 2 


!! { Dihedral Angle Restraints }
!! chi1 N(i)-CA(i)-CB(i)-CG(i)

! M14 
assign 
      (resid   14   and name N     )
      (resid   14   and name CA    )
      (resid   14   and name CB    )
      (resid   14   and name CG   )       1  -60.00  60.00 2 

! L15 
!assign 
      !(resid   15   and name N     )
      !(resid   15   and name CA    )
      !(resid   15   and name CB    )
      !(resid   15   and name CG   )       1  -60.00  30.00 2 
 

! S17 
assign 
      (resid   17   and name N     )
      (resid   17   and name CA    )
      (resid   17   and name CB    )
      (resid   17   and name OG   )       1  -60.00  60.00 2 

! T18 
assign 
      (resid   18   and name N     )
      (resid   18   and name CA    )
      (resid   18   and name CB    )
      (resid   18   and name OG1   )       1  60.00  30.00 2 
 

! F22 
assign 
      (resid   22   and name N     )
      (resid   22   and name CA    )
      (resid   22   and name CB    )
      (resid   22   and name CG   )       1  -60.00  30.00 2 

! Y23 
assign 
      (resid   23   and name N     )
      (resid   23   and name CA    )
      (resid   23   and name CB    )
      (resid   23   and name CG   )       1  180.00  25.00 2 

! N25 
assign 
      (resid   25   and name N     )
      (resid   25   and name CA    )
      (resid   25   and name CB    )
      (resid   25   and name CG   )       1  180.00  30.00 2 
 

! R27 
assign 
      (resid   27   and name N     )
      (resid   27   and name CA    )
      (resid   27   and name CB    )
      (resid   27   and name CG   )       1  -60.00  30.00 2 

! T28 
assign 
      (resid   28   and name N     )
      (resid   28   and name CA    )
      (resid   28   and name CB    )
      (resid   28   and name OG1   )       1  60.00  30.00 2 

! N29 
assign 
      (resid   29   and name N     )
      (resid   29   and name CA    )
      (resid   29   and name CB    )
      (resid   29   and name CG   )       1  -60.00  80.00 2 
  

! S33 
assign 
      (resid   33   and name N     )
      (resid   33   and name CA    )
      (resid   33   and name CB    )
      (resid   33   and name OG   )       1  -60.00  80.00 2 
 
 

! E38 
assign 
      (resid   38   and name N     )
      (resid   38   and name CA    )
      (resid   38   and name CB    )
      (resid   38   and name CG   )       1  -60.00  30.00 2 
 


!! { Dihedral Angle Restraints }
!!omega CA(i)-C(i)-N(i+1)-CA(i+1)

! S2 
assign 
      (resid    2   and name CA     )
      (resid    2   and name C    )
      (resid    3   and name N     )
      (resid    3   and name CA     )      1  180.00  4.00 2 

! M3 
assign 
      (resid    3   and name CA     )
      (resid    3   and name C    )
      (resid    4   and name N     )
      (resid    4   and name CA     )      1  180.00  4.00 2 

! A4 
assign 
      (resid    4   and name CA     )
      (resid    4   and name C    )
      (resid    5   and name N     )
      (resid    5   and name CA     )      1  180.00  4.00 2 

! Q5 
assign 
      (resid    5   and name CA     )
      (resid    5   and name C    )
      (resid    6   and name N     )
      (resid    6   and name CA     )      1  180.00  4.00 2 

! E6 
assign 
      (resid    6   and name CA     )
      (resid    6   and name C    )
      (resid    7   and name N     )
      (resid    7   and name CA     )      1  180.00  4.00 2 

! T7 
assign 
      (resid    7   and name CA     )
      (resid    7   and name C    )
      (resid    8   and name N     )
      (resid    8   and name CA     )      1  180.00  4.00 2 

! N8 
assign 
      (resid    8   and name CA     )
      (resid    8   and name C    )
      (resid    9   and name N     )
      (resid    9   and name CA     )      1  180.00  4.00 2 

! Q9 
assign 
      (resid    9   and name CA     )
      (resid    9   and name C    )
      (resid    10   and name N     )
      (resid    10   and name CA     )      1  180.00  4.00 2 

! T10 
assign 
      (resid    10   and name CA     )
      (resid    10   and name C    )
      (resid    11   and name N     )
      (resid    11   and name CA     )      1  180.00  4.00 2 

! P11 
assign 
      (resid    11   and name CA     )
      (resid    11   and name C    )
      (resid    12   and name N     )
      (resid    12   and name CA     )      1  180.00  4.00 2 

! G12 
assign 
      (resid    12   and name CA     )
      (resid    12   and name C    )
      (resid    13   and name N     )
      (resid    13   and name CA     )      1  180.00  4.00 2 

! P13 
assign 
      (resid    13   and name CA     )
      (resid    13   and name C    )
      (resid    14   and name N     )
      (resid    14   and name CA     )      1  180.00  4.00 2 

! M14 
assign 
      (resid    14   and name CA     )
      (resid    14   and name C    )
      (resid    15   and name N     )
      (resid    15   and name CA     )      1  180.00  4.00 2 

! L15 
assign 
      (resid    15   and name CA     )
      (resid    15   and name C    )
      (resid    16   and name N     )
      (resid    16   and name CA     )      1  180.00  4.00 2 

! C16 
assign 
      (resid    16   and name CA     )
      (resid    16   and name C    )
      (resid    17   and name N     )
      (resid    17   and name CA     )      1  180.00  4.00 2 

! S17 
assign 
      (resid    17   and name CA     )
      (resid    17   and name C    )
      (resid    18   and name N     )
      (resid    18   and name CA     )      1  180.00  4.00 2 

! T18 
assign 
      (resid    18   and name CA     )
      (resid    18   and name C    )
      (resid    19   and name N     )
      (resid    19   and name CA     )      1  180.00  4.00 2 

! G19 
assign 
      (resid    19   and name CA     )
      (resid    19   and name C    )
      (resid    20   and name N     )
      (resid    20   and name CA     )      1  180.00  4.00 2 

! C20 
assign 
      (resid    20   and name CA     )
      (resid    20   and name C    )
      (resid    21   and name N     )
      (resid    21   and name CA     )      1  180.00  4.00 2 

! G21 
assign 
      (resid    21   and name CA     )
      (resid    21   and name C    )
      (resid    22   and name N     )
      (resid    22   and name CA     )      1  180.00  4.00 2 

! F22 
assign 
      (resid    22   and name CA     )
      (resid    22   and name C    )
      (resid    23   and name N     )
      (resid    23   and name CA     )      1  180.00  4.00 2 

! Y23 
assign 
      (resid    23   and name CA     )
      (resid    23   and name C    )
      (resid    24   and name N     )
      (resid    24   and name CA     )      1  180.00  4.00 2 

! G24 
assign 
      (resid    24   and name CA     )
      (resid    24   and name C    )
      (resid    25   and name N     )
      (resid    25   and name CA     )      1  180.00  4.00 2 

! N25 
assign 
      (resid    25   and name CA     )
      (resid    25   and name C    )
      (resid    26   and name N     )
      (resid    26   and name CA     )      1  180.00  4.00 2 

! P26 
assign 
      (resid    26   and name CA     )
      (resid    26   and name C    )
      (resid    27   and name N     )
      (resid    27   and name CA     )      1  180.00  4.00 2 

! R27 
assign 
      (resid    27   and name CA     )
      (resid    27   and name C    )
      (resid    28   and name N     )
      (resid    28   and name CA     )      1  180.00  4.00 2 

! T28 
assign 
      (resid    28   and name CA     )
      (resid    28   and name C    )
      (resid    29   and name N     )
      (resid    29   and name CA     )      1  180.00  4.00 2 

! N29 
assign 
      (resid    29   and name CA     )
      (resid    29   and name C    )
      (resid    30   and name N     )
      (resid    30   and name CA     )      1  180.00  4.00 2 

! G30 
assign 
      (resid    30   and name CA     )
      (resid    30   and name C    )
      (resid    31   and name N     )
      (resid    31   and name CA     )      1  180.00  4.00 2 

! M31 
assign 
      (resid    31   and name CA     )
      (resid    31   and name C    )
      (resid    32   and name N     )
      (resid    32   and name CA     )      1  180.00  4.00 2 

! C32 
assign 
      (resid    32   and name CA     )
      (resid    32   and name C    )
      (resid    33   and name N     )
      (resid    33   and name CA     )      1  180.00  4.00 2 

! S33 
assign 
      (resid    33   and name CA     )
      (resid    33   and name C    )
      (resid    34   and name N     )
      (resid    34   and name CA     )      1  180.00  4.00 2 

! V34 
assign 
      (resid    34   and name CA     )
      (resid    34   and name C    )
      (resid    35   and name N     )
      (resid    35   and name CA     )      1  180.00  4.00 2 

! C35 
assign 
      (resid    35   and name CA     )
      (resid    35   and name C    )
      (resid    36   and name N     )
      (resid    36   and name CA     )      1  180.00  4.00 2 

! Y36 
assign 
      (resid    36   and name CA     )
      (resid    36   and name C    )
      (resid    37   and name N     )
      (resid    37   and name CA     )      1  180.00  4.00 2 

! K37 
assign 
      (resid    37   and name CA     )
      (resid    37   and name C    )
      (resid    38   and name N     )
      (resid    38   and name CA     )      1  180.00  4.00 2 

! E38 
assign 
      (resid    38   and name CA     )
      (resid    38   and name C    )
      (resid    39   and name N     )
      (resid    39   and name CA     )      1  180.00  4.00 2 

! H39 
assign 
      (resid    39   and name CA     )
      (resid    39   and name C    )
      (resid    40   and name N     )
      (resid    40   and name CA     )      1  180.00  4.00 2 

! L40 
assign 
      (resid    40   and name CA     )
      (resid    40   and name C    )
      (resid    41   and name N     )
      (resid    41   and name CA     )      1  180.00  4.00 2 

! Q41 
assign 
      (resid    41   and name CA     )
      (resid    41   and name C    )
      (resid    42   and name N     )
      (resid    42   and name CA     )      1  180.00  4.00 2 

! R42 
assign 
      (resid    42   and name CA     )
      (resid    42   and name C    )
      (resid    43   and name N     )
      (resid    43   and name CA     )      1  180.00  4.00 2 

! Q43 
assign 
      (resid    43   and name CA     )
      (resid    43   and name C    )
      (resid    44   and name N     )
      (resid    44   and name CA     )      1  180.00  4.00 2 

! Q44 
assign 
      (resid    44   and name CA     )
      (resid    44   and name C    )
      (resid    45   and name N     )
      (resid    45   and name CA     )      1  180.00  4.00 2 

! N45 
assign 
      (resid    45   and name CA     )
      (resid    45   and name C    )
      (resid    46   and name N     )
      (resid    46   and name CA     )      1  180.00  4.00 2 

! S46 
assign 
      (resid    46   and name CA     )
      (resid    46   and name C    )
      (resid    47   and name N     )
      (resid    47   and name CA     )      1  180.00  4.00 2 

! G47 
assign 
      (resid    47   and name CA     )
      (resid    47   and name C    )
      (resid    48   and name N     )
      (resid    48   and name CA     )      1  180.00  4.00 2 

! R48 
assign 
      (resid    48   and name CA     )
      (resid    48   and name C    )
      (resid    49   and name N     )
      (resid    49   and name CA     )      1  180.00  4.00 2 

! M49 
assign 
      (resid    49   and name CA     )
      (resid    49   and name C    )
      (resid    50   and name N     )
      (resid    50   and name CA     )      1  180.00  4.00 2 

! S50 
assign 
      (resid    50   and name CA     )
      (resid    50   and name C    )
      (resid    51   and name N     )
      (resid    51   and name CA     )      1  180.00  4.00 2 

! P51 
assign 
      (resid    51   and name CA     )
      (resid    51   and name C    )
      (resid    52   and name N     )
      (resid    52   and name CA     )      1  180.00  4.00 2 

! M52 
assign 
      (resid    52   and name CA     )
      (resid    52   and name C    )
      (resid    53   and name N     )
      (resid    53   and name CA     )      1  180.00  4.00 2 

! G53 
assign 
      (resid    53   and name CA     )
      (resid    53   and name C    )
      (resid    54   and name N     )
      (resid    54   and name CA     )      1  180.00  4.00 2 

! T54 
assign 
      (resid    54   and name CA     )
      (resid    54   and name C    )
      (resid    55   and name N     )
      (resid    55   and name CA     )      1  180.00  4.00 2 

! A55 
assign 
      (resid    55   and name CA     )
      (resid    55   and name C    )
      (resid    56   and name N     )
      (resid    56   and name CA     )      1  180.00  4.00 2 

! S56 
assign 
      (resid    56   and name CA     )
      (resid    56   and name C    )
      (resid    57   and name N     )
      (resid    57   and name CA     )      1  180.00  4.00 2 

! G57 
assign 
      (resid    57   and name CA     )
      (resid    57   and name C    )
      (resid    58   and name N     )
      (resid    58   and name CA     )      1  180.00  4.00 2 

! S58 
assign 
      (resid    58   and name CA     )
      (resid    58   and name C    )
      (resid    59   and name N     )
      (resid    59   and name CA     )      1  180.00  4.00 2 

! N59 
assign 
      (resid    59   and name CA     )
      (resid    59   and name C    )
      (resid    60   and name N     )
      (resid    60   and name CA     )      1  180.00  4.00 2 

! S60 
assign 
      (resid    60   and name CA     )
      (resid    60   and name C    )
      (resid    61   and name N     )
      (resid    61   and name CA     )      1  180.00  4.00 2 

! P61 
assign 
      (resid    61   and name CA     )
      (resid    61   and name C    )
      (resid    62   and name N     )
      (resid    62   and name CA     )      1  180.00  4.00 2 


!! { Dihedral Angle Restraints }
!!phi C(i-1)-N(i)-CA(i)-C(i)

! S2 
assign 
      (resid    1   and name C     )
      (resid    2   and name N     )
      (resid    2   and name CA    )
      (resid    2   and name C     )     1  -77.39  60.00 2 

! M3 
assign 
      (resid    2   and name C     )
      (resid    3   and name N     )
      (resid    3   and name CA    )
      (resid    3   and name C     )     1  -95.16  60.00 2 

! A4 
assign 
      (resid    3   and name C     )
      (resid    4   and name N     )
      (resid    4   and name CA    )
      (resid    4   and name C     )     1  -87.92  50.00 2 

! Q5 
assign 
      (resid    4   and name C     )
      (resid    5   and name N     )
      (resid    5   and name CA    )
      (resid    5   and name C     )     1  -87.35  50.00 2 

! E6 
assign 
      (resid    5   and name C     )
      (resid    6   and name N     )
      (resid    6   and name CA    )
      (resid    6   and name C     )     1  -92.50  50.00 2 

! T7 
assign 
      (resid    6   and name C     )
      (resid    7   and name N     )
      (resid    7   and name CA    )
      (resid    7   and name C     )     1  -95.60  50.00 2 

! N8 
assign 
      (resid    7   and name C     )
      (resid    8   and name N     )
      (resid    8   and name CA    )
      (resid    8   and name C     )     1  -81.33  50.00 2 

! Q9 
assign 
      (resid    8   and name C     )
      (resid    9   and name N     )
      (resid    9   and name CA    )
      (resid    9   and name C     )     1  -88.51  50.00 2 

! T10 
assign 
      (resid    9   and name C     )
      (resid    10   and name N     )
      (resid    10   and name CA    )
      (resid    10   and name C     )     1  -136.74  50.00 2 

! P11 
assign 
      (resid    10   and name C     )
      (resid    11   and name N     )
      (resid    11   and name CA    )
      (resid    11   and name C     )     1  -82.51  50.00 2 

! G12 
!assign 
      !(resid    11   and name C     )
      !(resid    12   and name N     )
      !(resid    12   and name CA    )
      !(resid    12   and name C     )     1  89.28  50.00 2 

! P13 
assign 
      (resid    12   and name C     )
      (resid    13   and name N     )
      (resid    13   and name CA    )
      (resid    13   and name C     )     1  -81.06  50.00 2 

! M14 
assign 
      (resid    13   and name C     )
      (resid    14   and name N     )
      (resid    14   and name CA    )
      (resid    14   and name C     )     1  -50.60  20.00 2 

! L15 
assign 
      (resid    14   and name C     )
      (resid    15   and name N     )
      (resid    15   and name CA    )
      (resid    15   and name C     )     1  -83.94  30.00 2 

! C16 
assign 
      (resid    15   and name C     )
      (resid    16   and name N     )
      (resid    16   and name CA    )
      (resid    16   and name C     )     1  -59.75  30.00 2 

! S17 
assign 
      (resid    16   and name C     )
      (resid    17   and name N     )
      (resid    17   and name CA    )
      (resid    17   and name C     )     1  -65.87  20.00 2 

! T18 
assign 
      (resid    17   and name C     )
      (resid    18   and name N     )
      (resid    18   and name CA    )
      (resid    18   and name C     )     1  -84.62  30.00 2 
 
! G19 
assign 
      (resid    18   and name C     )
      (resid    19   and name N     )
      (resid    19   and name CA    )
      (resid    19   and name C     )     1  80.00  20.00 2
! C20 
assign 
      (resid    19   and name C     )
      (resid    20   and name N     )
      (resid    20   and name CA    )
      (resid    20   and name C     )     1  -56.17  30.00 2 

! G21 
assign 
      (resid    20   and name C     )
      (resid    21   and name N     )
      (resid    21   and name CA    )
      (resid    21   and name C     )     1  101.11  30.00 2 

! F22 
assign 
      (resid    21   and name C     )
      (resid    22   and name N     )
      (resid    22   and name CA    )
      (resid    22   and name C     )     1  -84.04  30.00 2 

! Y23 
assign 
      (resid    22   and name C     )
      (resid    23   and name N     )
      (resid    23   and name CA    )
      (resid    23   and name C     )     1  -70.20  25.00 2 
 

! 24 
assign 
      (resid    23   and name C     )
      (resid    24   and name N     )
      (resid    24   and name CA    )
      (resid    24   and name C     )     1  -90.20  40.00 2 
 

! N25 
assign 
      (resid    24   and name C     )
      (resid    25   and name N     )
      (resid    25   and name CA    )
      (resid    25   and name C     )     1  -120.68  20.00 2 

! P26 
assign 
      (resid    25   and name C     )
      (resid    26   and name N     )
      (resid    26   and name CA    )
      (resid    26   and name C     )     1  -60.00  15.00 2 

! R27 
assign 
      (resid    26   and name C     )
      (resid    27   and name N     )
      (resid    27   and name CA    )
      (resid    27   and name C     )     1  -75.04  15.00 2 

! T28 
assign 
      (resid    27   and name C     )
      (resid    28   and name N     )
      (resid    28   and name CA    )
      (resid    28   and name C     )     1  -77.67  20.00 2 

! N29 
assign 
      (resid    28   and name C     )
      (resid    29   and name N     )
      (resid    29   and name CA    )
      (resid    29   and name C     )     1  -75.97  13.00 2 
 

! M31 
assign 
      (resid    30   and name C     )
      (resid    31   and name N     )
      (resid    31   and name CA    )
      (resid    31   and name C     )     1  -129.88  30.00 2 

! C32 
assign 
      (resid    31   and name C     )
      (resid    32   and name N     )
      (resid    32   and name CA    )
      (resid    32   and name C     )     1  -76.97  30.00 2 

! S33 
assign 
      (resid    32   and name C     )
      (resid    33   and name N     )
      (resid    33   and name CA    )
      (resid    33   and name C     )     1  -60.00  15.00 2 

! V34 
assign 
      (resid    33   and name C     )
      (resid    34   and name N     )
      (resid    34   and name CA    )
      (resid    34   and name C     )     1  -62.95  10.00 2 

! C35 
assign 
      (resid    34   and name C     )
      (resid    35   and name N     )
      (resid    35   and name CA    )
      (resid    35   and name C     )     1  -62.38  10.00 2 

! Y36 
assign 
      (resid    35   and name C     )
      (resid    36   and name N     )
      (resid    36   and name CA    )
      (resid    36   and name C     )     1  -59.40  10.00 2 

! K37 
assign 
      (resid    36   and name C     )
      (resid    37   and name N     )
      (resid    37   and name CA    )
      (resid    37   and name C     )     1  -65.81  10.00 2 

! E38 
assign 
      (resid    37   and name C     )
      (resid    38   and name N     )
      (resid    38   and name CA    )
      (resid    38   and name C     )     1  -65.03  10.00 2 

! H39 
assign 
      (resid    38   and name C     )
      (resid    39   and name N     )
      (resid    39   and name CA    )
      (resid    39   and name C     )     1  -72.12  12.00 2 

! L40 
assign 
      (resid    39   and name C     )
      (resid    40   and name N     )
      (resid    40   and name CA    )
      (resid    40   and name C     )     1  -62.56  13.00 2 

! Q41 
assign 
      (resid    40   and name C     )
      (resid    41   and name N     )
      (resid    41   and name CA    )
      (resid    41   and name C     )     1  -65.37  13.00 2 

! R42 
assign 
      (resid    41   and name C     )
      (resid    42   and name N     )
      (resid    42   and name CA    )
      (resid    42   and name C     )     1  -63.37  30.00 2 

! Q43 
assign 
      (resid    42   and name C     )
      (resid    43   and name N     )
      (resid    43   and name CA    )
      (resid    43   and name C     )     1  -66.13  15.00 2 

! Q44 
assign 
      (resid    43   and name C     )
      (resid    44   and name N     )
      (resid    44   and name CA    )
      (resid    44   and name C     )     1  -60.72  20.00 2 

! N45 
assign 
      (resid    44   and name C     )
      (resid    45   and name N     )
      (resid    45   and name CA    )
      (resid    45   and name C     )     1  -60.92  50.00 2 

! S46 
assign 
      (resid    45   and name C     )
      (resid    46   and name N     )
      (resid    46   and name CA    )
      (resid    46   and name C     )     1  -90.37  50.00 2 

! G47 
assign 
      (resid    46   and name C     )
      (resid    47   and name N     )
      (resid    47   and name CA    )
      (resid    47   and name C     )     1  85.89  60.00 2 

! R48 
assign 
      (resid    47   and name C     )
      (resid    48   and name N     )
      (resid    48   and name CA    )
      (resid    48   and name C     )     1  -83.88  60.00 2 

! M49 
assign 
      (resid    48   and name C     )
      (resid    49   and name N     )
      (resid    49   and name CA    )
      (resid    49   and name C     )     1  -72.26  50.00 2 

! S50 
assign 
      (resid    49   and name C     )
      (resid    50   and name N     )
      (resid    50   and name CA    )
      (resid    50   and name C     )     1  -138.59  50.00 2 

! P51 
assign 
      (resid    50   and name C     )
      (resid    51   and name N     )
      (resid    51   and name CA    )
      (resid    51   and name C     )     1  -69.97  50.00 2 

! M52 
assign 
      (resid    51   and name C     )
      (resid    52   and name N     )
      (resid    52   and name CA    )
      (resid    52   and name C     )     1  -92.86  50.00 2 

! G53 
assign 
      (resid    52   and name C     )
      (resid    53   and name N     )
      (resid    53   and name CA    )
      (resid    53   and name C     )     1  95.15  50.00 2 

! T54 
assign 
      (resid    53   and name C     )
      (resid    54   and name N     )
      (resid    54   and name CA    )
      (resid    54   and name C     )     1  -95.04  50.00 2 

! A55 
assign 
      (resid    54   and name C     )
      (resid    55   and name N     )
      (resid    55   and name CA    )
      (resid    55   and name C     )     1  -85.21  60.00 2 

! S56 
assign 
      (resid    55   and name C     )
      (resid    56   and name N     )
      (resid    56   and name CA    )
      (resid    56   and name C     )     1  -92.13  60.00 2 

! G57 
assign 
      (resid    56   and name C     )
      (resid    57   and name N     )
      (resid    57   and name CA    )
      (resid    57   and name C     )     1  65.62  60.00 2 

! S58 
assign 
      (resid    57   and name C     )
      (resid    58   and name N     )
      (resid    58   and name CA    )
      (resid    58   and name C     )     1  -94.05  60.00 2 

! N59 
assign 
      (resid    58   and name C     )
      (resid    59   and name N     )
      (resid    59   and name CA    )
      (resid    59   and name C     )     1  -90.50  20.00 2 

! S60 
assign 
      (resid    59   and name C     )
      (resid    60   and name N     )
      (resid    60   and name CA    )
      (resid    60   and name C     )     1  -122.52  60.00 2 

! P61 
assign 
      (resid    60   and name C     )
      (resid    61   and name N     )
      (resid    61   and name CA    )
      (resid    61   and name C     )     1  -71.87  60.00 2 


!! { Dihedral Angle Restraints }
!!psi N(i)-CA(i)-C(i)-N(i+1)

 

! A4 
assign 
      (resid    4   and name N     )
      (resid    4   and name CA    )
      (resid    4   and name C     )
      (resid    5   and name N     )      1  -15.98  52.00 2 

! Q5 
assign 
      (resid    5   and name N     )
      (resid    5   and name CA    )
      (resid    5   and name C     )
      (resid    6   and name N     )      1  -8.47  52.00 2 
 

! T7 
assign 
      (resid    7   and name N     )
      (resid    7   and name CA    )
      (resid    7   and name C     )
      (resid    8   and name N     )      1  153.71  52.00 2 

! N8 
assign 
      (resid    8   and name N     )
      (resid    8   and name CA    )
      (resid    8   and name C     )
      (resid    9   and name N     )      1  -13.96  52.00 2 

! Q9 
assign 
      (resid    9   and name N     )
      (resid    9   and name CA    )
      (resid    9   and name C     )
      (resid    10   and name N     )      1  130.59  52.00 2 

! T10 
assign 
      (resid    10   and name N     )
      (resid    10   and name CA    )
      (resid    10   and name C     )
      (resid    11   and name N     )      1  142.87  52.00 2 

! P11 
assign 
      (resid    11   and name N     )
      (resid    11   and name CA    )
      (resid    11   and name C     )
      (resid    12   and name N     )      1  143.12  52.00 2 

! G12 
assign 
      (resid    12   and name N     )
      (resid    12   and name CA    )
      (resid    12   and name C     )
      (resid    13   and name N     )      1  -10.07  52.00 2 

! P13 
!assign 
      !(resid    13   and name N     )
      !(resid    13   and name CA    )
      !(resid    13   and name C     )
      !(resid    14   and name N     )      1  -2.60  52.00 2 

! M14 
assign 
      (resid    14   and name N     )
      (resid    14   and name CA    )
      (resid    14   and name C     )
      (resid    15   and name N     )      1  95.50  30.00 2 

! L15 
assign 
      (resid    15   and name N     )
      (resid    15   and name CA    )
      (resid    15   and name C     )
      (resid    16   and name N     )      1  120.00  25.00 2
! C16 
assign 
      (resid    15   and name N     )
      (resid    15   and name CA    )
      (resid    15   and name C     )
      (resid    16   and name N     )      1  120.00  30.00 2 
 

! S17 
assign 
      (resid    17   and name N     )
      (resid    17   and name CA    )
      (resid    17   and name C     )
      (resid    18   and name N     )      1  -36.31  21.00 2 

! T18 
assign 
      (resid    18   and name N     )
      (resid    18   and name CA    )
      (resid    18   and name C     )
      (resid    19   and name N     )      1  -8.67  50.00 2 

! G19 
assign 
      (resid    19   and name N     )
      (resid    19   and name CA    )
      (resid    19   and name C     )
      (resid    20   and name N     )      1  20.17  22.00 2 

! C20 
assign 
      (resid    20   and name N     )
      (resid    20   and name CA    )
      (resid    20   and name C     )
      (resid    21   and name N     )      1  -10.68  32.00 2 

! G21 
assign 
      (resid    21   and name N     )
      (resid    21   and name CA    )
      (resid    21   and name C     )
      (resid    22   and name N     )      1  -10.77  42.00 2  

! Y23 
assign 
      (resid    23   and name N     )
      (resid    23   and name CA    )
      (resid    23   and name C     )
      (resid    24   and name N     )      1  120.0  25.00 2 

! N25 
assign 
      (resid    25   and name N     )
      (resid    25   and name CA    )
      (resid    25   and name C     )
      (resid    26   and name N     )      1  130.15  22.00 2 

! P26 
assign 
      (resid    26   and name N     )
      (resid    26   and name CA    )
      (resid    26   and name C     )
      (resid    27   and name N     )      1  -26.33  15.00 2 

! R27 
assign 
      (resid    27   and name N     )
      (resid    27   and name CA    )
      (resid    27   and name C     )
      (resid    28   and name N     )      1  -34.10  15.00 2 
 

! T28 
assign 
      (resid    28   and name N     )
      (resid    28   and name CA    )
      (resid    28   and name C     )
      (resid    29   and name N     )      1  -175.0  25.00 2
! N29 
assign 
      (resid    29   and name N     )
      (resid    29   and name CA    )
      (resid    29   and name C     )
      (resid    30   and name N     )      1  10.0  15.00 2 

! G30 
assign 
      (resid    30   and name N     )
      (resid    30   and name CA    )
      (resid    30   and name C     )
      (resid    31   and name N     )      1  -3.28  20.00 2 

! M31 
assign 
      (resid    31   and name N     )
      (resid    31   and name CA    )
      (resid    31   and name C     )
      (resid    32   and name N     )      1  150.49  25.00 2 

! C32 
assign 
      (resid    32   and name N     )
      (resid    32   and name CA    )
      (resid    32   and name C     )
      (resid    33   and name N     )      1  -180.00  25.00 2 

! S33 
assign 
      (resid    33   and name N     )
      (resid    33   and name CA    )
      (resid    33   and name C     )
      (resid    34   and name N     )      1  -40.00  11.00 2 

! V34 
assign 
      (resid    34   and name N     )
      (resid    34   and name CA    )
      (resid    34   and name C     )
      (resid    35   and name N     )      1  -50.00  13.00 2 

! C35 
assign 
      (resid    35   and name N     )
      (resid    35   and name CA    )
      (resid    35   and name C     )
      (resid    36   and name N     )      1  -47.00  11.00 2 

! Y36 
assign 
      (resid    36   and name N     )
      (resid    36   and name CA    )
      (resid    36   and name C     )
      (resid    37   and name N     )      1  -40.01  11.00 2 

! K37 
assign 
      (resid    37   and name N     )
      (resid    37   and name CA    )
      (resid    37   and name C     )
      (resid    38   and name N     )      1  -43.15  11.00 2 

! E38 
assign 
      (resid    38   and name N     )
      (resid    38   and name CA    )
      (resid    38   and name C     )
      (resid    39   and name N     )      1  -40.11  11.00 2 

! H39 
assign 
      (resid    39   and name N     )
      (resid    39   and name CA    )
      (resid    39   and name C     )
      (resid    40   and name N     )      1  -45.08  11.00 2 

! L40 
assign 
      (resid    40   and name N     )
      (resid    40   and name CA    )
      (resid    40   and name C     )
      (resid    41   and name N     )      1  -36.78  10.00 2 

! Q41 
assign 
      (resid    41   and name N     )
      (resid    41   and name CA    )
      (resid    41   and name C     )
      (resid    42   and name N     )      1  -39.12  11.00 2 

! R42 
assign 
      (resid    42   and name N     )
      (resid    42   and name CA    )
      (resid    42   and name C     )
      (resid    43   and name N     )      1  -42.10  11.00 2 

! Q43 
assign 
      (resid    43   and name N     )
      (resid    43   and name CA    )
      (resid    43   and name C     )
      (resid    44   and name N     )      1  -42.32  16.00 2 

! Q44 
assign 
      (resid    44   and name N     )
      (resid    44   and name CA    )
      (resid    44   and name C     )
      (resid    45   and name N     )      1  -24.17  42.00 2 

! N45 
assign 
      (resid    45   and name N     )
      (resid    45   and name CA    )
      (resid    45   and name C     )
      (resid    46   and name N     )      1  -30.91  25.00 2 

! S46 
assign 
      (resid    46   and name N     )
      (resid    46   and name CA    )
      (resid    46   and name C     )
      (resid    47   and name N     )      1  -20.26  52.00 2 

! G47 
assign 
      (resid    47   and name N     )
      (resid    47   and name CA    )
      (resid    47   and name C     )
      (resid    48   and name N     )      1  6.25  62.00 2 

! S50 
assign 
      (resid    50   and name N     )
      (resid    50   and name CA    )
      (resid    50   and name C     )
      (resid    51   and name N     )      1  146.44  52.00 2 


! G53 
assign 
      (resid    53   and name N     )
      (resid    53   and name CA    )
      (resid    53   and name C     )
      (resid    54   and name N     )      1  -15.61  52.00 2 

! T54 
assign 
      (resid    54   and name N     )
      (resid    54   and name CA    )
      (resid    54   and name C     )
      (resid    55   and name N     )      1  158.33  52.00 2 
 

! G57 
assign 
      (resid    57   and name N     )
      (resid    57   and name CA    )
      (resid    57   and name C     )
      (resid    58   and name N     )      1  18.00  62.00 2 

! S58 
assign 
      (resid    58   and name N     )
      (resid    58   and name CA    )
      (resid    58   and name C     )
      (resid    59   and name N     )      1  -7.12  62.00 2 

! N59 
assign 
      (resid    59   and name N     )
      (resid    59   and name CA    )
      (resid    59   and name C     )
      (resid    60   and name N     )      1  130.94  22.00 2 

! S60 
assign 
      (resid    60   and name N     )
      (resid    60   and name CA    )
      (resid    60   and name C     )
      (resid    61   and name N     )      1  143.21  62.00 2 

! P61 
assign 
      (resid    61   and name N     )
      (resid    61   and name CA    )
      (resid    61   and name C     )
      (resid    62   and name N     )      1  139.31  62.00 2 


!! { Dihedral Angle Restraints }
!! chi1 N(i)-CA(i)-CB(i)-CG(i)

! M14 
assign 
      (resid   14   and name N     )
      (resid   14   and name CA    )
      (resid   14   and name CB    )
      (resid   14   and name CG   )       1  -60.00  60.00 2 

! L15 
!assign 
      !(resid   15   and name N     )
      !(resid   15   and name CA    )
      !(resid   15   and name CB    )
      !(resid   15   and name CG   )       1  -60.00  30.00 2 
 

! S17 
assign 
      (resid   17   and name N     )
      (resid   17   and name CA    )
      (resid   17   and name CB    )
      (resid   17   and name OG   )       1  -60.00  60.00 2 

! T18 
assign 
      (resid   18   and name N     )
      (resid   18   and name CA    )
      (resid   18   and name CB    )
      (resid   18   and name OG1   )       1  60.00  30.00 2 
 

! F22 
assign 
      (resid   22   and name N     )
      (resid   22   and name CA    )
      (resid   22   and name CB    )
      (resid   22   and name CG   )       1  -60.00  30.00 2 

! Y23 
assign 
      (resid   23   and name N     )
      (resid   23   and name CA    )
      (resid   23   and name CB    )
      (resid   23   and name CG   )       1  180.00  25.00 2 

! N25 
assign 
      (resid   25   and name N     )
      (resid   25   and name CA    )
      (resid   25   and name CB    )
      (resid   25   and name CG   )       1  180.00  30.00 2 
 

! R27 
assign 
      (resid   27   and name N     )
      (resid   27   and name CA    )
      (resid   27   and name CB    )
      (resid   27   and name CG   )       1  -60.00  30.00 2 

! T28 
assign 
      (resid   28   and name N     )
      (resid   28   and name CA    )
      (resid   28   and name CB    )
      (resid   28   and name OG1   )       1  60.00  30.00 2 

! N29 
assign 
      (resid   29   and name N     )
      (resid   29   and name CA    )
      (resid   29   and name CB    )
      (resid   29   and name CG   )       1  -60.00  80.00 2 
  

! S33 
assign 
      (resid   33   and name N     )
      (resid   33   and name CA    )
      (resid   33   and name CB    )
      (resid   33   and name OG   )       1  -60.00  80.00 2 
 
 

! E38 
assign 
      (resid   38   and name N     )
      (resid   38   and name CA    )
      (resid   38   and name CB    )
      (resid   38   and name CG   )       1  -60.00  30.00 2 
 


!! { Dihedral Angle Restraints }
!!omega CA(i)-C(i)-N(i+1)-CA(i+1)

! S2 
assign 
      (resid    2   and name CA     )
      (resid    2   and name C    )
      (resid    3   and name N     )
      (resid    3   and name CA     )      1  180.00  4.00 2 

! M3 
assign 
      (resid    3   and name CA     )
      (resid    3   and name C    )
      (resid    4   and name N     )
      (resid    4   and name CA     )      1  180.00  4.00 2 

! A4 
assign 
      (resid    4   and name CA     )
      (resid    4   and name C    )
      (resid    5   and name N     )
      (resid    5   and name CA     )      1  180.00  4.00 2 

! Q5 
assign 
      (resid    5   and name CA     )
      (resid    5   and name C    )
      (resid    6   and name N     )
      (resid    6   and name CA     )      1  180.00  4.00 2 

! E6 
assign 
      (resid    6   and name CA     )
      (resid    6   and name C    )
      (resid    7   and name N     )
      (resid    7   and name CA     )      1  180.00  4.00 2 

! T7 
assign 
      (resid    7   and name CA     )
      (resid    7   and name C    )
      (resid    8   and name N     )
      (resid    8   and name CA     )      1  180.00  4.00 2 

! N8 
assign 
      (resid    8   and name CA     )
      (resid    8   and name C    )
      (resid    9   and name N     )
      (resid    9   and name CA     )      1  180.00  4.00 2 

! Q9 
assign 
      (resid    9   and name CA     )
      (resid    9   and name C    )
      (resid    10   and name N     )
      (resid    10   and name CA     )      1  180.00  4.00 2 

! T10 
assign 
      (resid    10   and name CA     )
      (resid    10   and name C    )
      (resid    11   and name N     )
      (resid    11   and name CA     )      1  180.00  4.00 2 

! P11 
assign 
      (resid    11   and name CA     )
      (resid    11   and name C    )
      (resid    12   and name N     )
      (resid    12   and name CA     )      1  180.00  4.00 2 

! G12 
assign 
      (resid    12   and name CA     )
      (resid    12   and name C    )
      (resid    13   and name N     )
      (resid    13   and name CA     )      1  180.00  4.00 2 

! P13 
assign 
      (resid    13   and name CA     )
      (resid    13   and name C    )
      (resid    14   and name N     )
      (resid    14   and name CA     )      1  180.00  4.00 2 

! M14 
assign 
      (resid    14   and name CA     )
      (resid    14   and name C    )
      (resid    15   and name N     )
      (resid    15   and name CA     )      1  180.00  4.00 2 

! L15 
assign 
      (resid    15   and name CA     )
      (resid    15   and name C    )
      (resid    16   and name N     )
      (resid    16   and name CA     )      1  180.00  4.00 2 

! C16 
assign 
      (resid    16   and name CA     )
      (resid    16   and name C    )
      (resid    17   and name N     )
      (resid    17   and name CA     )      1  180.00  4.00 2 

! S17 
assign 
      (resid    17   and name CA     )
      (resid    17   and name C    )
      (resid    18   and name N     )
      (resid    18   and name CA     )      1  180.00  4.00 2 

! T18 
assign 
      (resid    18   and name CA     )
      (resid    18   and name C    )
      (resid    19   and name N     )
      (resid    19   and name CA     )      1  180.00  4.00 2 

! G19 
assign 
      (resid    19   and name CA     )
      (resid    19   and name C    )
      (resid    20   and name N     )
      (resid    20   and name CA     )      1  180.00  4.00 2 

! C20 
assign 
      (resid    20   and name CA     )
      (resid    20   and name C    )
      (resid    21   and name N     )
      (resid    21   and name CA     )      1  180.00  4.00 2 

! G21 
assign 
      (resid    21   and name CA     )
      (resid    21   and name C    )
      (resid    22   and name N     )
      (resid    22   and name CA     )      1  180.00  4.00 2 

! F22 
assign 
      (resid    22   and name CA     )
      (resid    22   and name C    )
      (resid    23   and name N     )
      (resid    23   and name CA     )      1  180.00  4.00 2 

! Y23 
assign 
      (resid    23   and name CA     )
      (resid    23   and name C    )
      (resid    24   and name N     )
      (resid    24   and name CA     )      1  180.00  4.00 2 

! G24 
assign 
      (resid    24   and name CA     )
      (resid    24   and name C    )
      (resid    25   and name N     )
      (resid    25   and name CA     )      1  180.00  4.00 2 

! N25 
assign 
      (resid    25   and name CA     )
      (resid    25   and name C    )
      (resid    26   and name N     )
      (resid    26   and name CA     )      1  180.00  4.00 2 

! P26 
assign 
      (resid    26   and name CA     )
      (resid    26   and name C    )
      (resid    27   and name N     )
      (resid    27   and name CA     )      1  180.00  4.00 2 

! R27 
assign 
      (resid    27   and name CA     )
      (resid    27   and name C    )
      (resid    28   and name N     )
      (resid    28   and name CA     )      1  180.00  4.00 2 

! T28 
assign 
      (resid    28   and name CA     )
      (resid    28   and name C    )
      (resid    29   and name N     )
      (resid    29   and name CA     )      1  180.00  4.00 2 

! N29 
assign 
      (resid    29   and name CA     )
      (resid    29   and name C    )
      (resid    30   and name N     )
      (resid    30   and name CA     )      1  180.00  4.00 2 

! G30 
assign 
      (resid    30   and name CA     )
      (resid    30   and name C    )
      (resid    31   and name N     )
      (resid    31   and name CA     )      1  180.00  4.00 2 

! M31 
assign 
      (resid    31   and name CA     )
      (resid    31   and name C    )
      (resid    32   and name N     )
      (resid    32   and name CA     )      1  180.00  4.00 2 

! C32 
assign 
      (resid    32   and name CA     )
      (resid    32   and name C    )
      (resid    33   and name N     )
      (resid    33   and name CA     )      1  180.00  4.00 2 

! S33 
assign 
      (resid    33   and name CA     )
      (resid    33   and name C    )
      (resid    34   and name N     )
      (resid    34   and name CA     )      1  180.00  4.00 2 

! V34 
assign 
      (resid    34   and name CA     )
      (resid    34   and name C    )
      (resid    35   and name N     )
      (resid    35   and name CA     )      1  180.00  4.00 2 

! C35 
assign 
      (resid    35   and name CA     )
      (resid    35   and name C    )
      (resid    36   and name N     )
      (resid    36   and name CA     )      1  180.00  4.00 2 

! Y36 
assign 
      (resid    36   and name CA     )
      (resid    36   and name C    )
      (resid    37   and name N     )
      (resid    37   and name CA     )      1  180.00  4.00 2 

! K37 
assign 
      (resid    37   and name CA     )
      (resid    37   and name C    )
      (resid    38   and name N     )
      (resid    38   and name CA     )      1  180.00  4.00 2 

! E38 
assign 
      (resid    38   and name CA     )
      (resid    38   and name C    )
      (resid    39   and name N     )
      (resid    39   and name CA     )      1  180.00  4.00 2 

! H39 
assign 
      (resid    39   and name CA     )
      (resid    39   and name C    )
      (resid    40   and name N     )
      (resid    40   and name CA     )      1  180.00  4.00 2 

! L40 
assign 
      (resid    40   and name CA     )
      (resid    40   and name C    )
      (resid    41   and name N     )
      (resid    41   and name CA     )      1  180.00  4.00 2 

! Q41 
assign 
      (resid    41   and name CA     )
      (resid    41   and name C    )
      (resid    42   and name N     )
      (resid    42   and name CA     )      1  180.00  4.00 2 

! R42 
assign 
      (resid    42   and name CA     )
      (resid    42   and name C    )
      (resid    43   and name N     )
      (resid    43   and name CA     )      1  180.00  4.00 2 

! Q43 
assign 
      (resid    43   and name CA     )
      (resid    43   and name C    )
      (resid    44   and name N     )
      (resid    44   and name CA     )      1  180.00  4.00 2 

! Q44 
assign 
      (resid    44   and name CA     )
      (resid    44   and name C    )
      (resid    45   and name N     )
      (resid    45   and name CA     )      1  180.00  4.00 2 

! N45 
assign 
      (resid    45   and name CA     )
      (resid    45   and name C    )
      (resid    46   and name N     )
      (resid    46   and name CA     )      1  180.00  4.00 2 

! S46 
assign 
      (resid    46   and name CA     )
      (resid    46   and name C    )
      (resid    47   and name N     )
      (resid    47   and name CA     )      1  180.00  4.00 2 

! G47 
assign 
      (resid    47   and name CA     )
      (resid    47   and name C    )
      (resid    48   and name N     )
      (resid    48   and name CA     )      1  180.00  4.00 2 

! R48 
assign 
      (resid    48   and name CA     )
      (resid    48   and name C    )
      (resid    49   and name N     )
      (resid    49   and name CA     )      1  180.00  4.00 2 

! M49 
assign 
      (resid    49   and name CA     )
      (resid    49   and name C    )
      (resid    50   and name N     )
      (resid    50   and name CA     )      1  180.00  4.00 2 

! S50 
assign 
      (resid    50   and name CA     )
      (resid    50   and name C    )
      (resid    51   and name N     )
      (resid    51   and name CA     )      1  180.00  4.00 2 

! P51 
assign 
      (resid    51   and name CA     )
      (resid    51   and name C    )
      (resid    52   and name N     )
      (resid    52   and name CA     )      1  180.00  4.00 2 

! M52 
assign 
      (resid    52   and name CA     )
      (resid    52   and name C    )
      (resid    53   and name N     )
      (resid    53   and name CA     )      1  180.00  4.00 2 

! G53 
assign 
      (resid    53   and name CA     )
      (resid    53   and name C    )
      (resid    54   and name N     )
      (resid    54   and name CA     )      1  180.00  4.00 2 

! T54 
assign 
      (resid    54   and name CA     )
      (resid    54   and name C    )
      (resid    55   and name N     )
      (resid    55   and name CA     )      1  180.00  4.00 2 

! A55 
assign 
      (resid    55   and name CA     )
      (resid    55   and name C    )
      (resid    56   and name N     )
      (resid    56   and name CA     )      1  180.00  4.00 2 

! S56 
assign 
      (resid    56   and name CA     )
      (resid    56   and name C    )
      (resid    57   and name N     )
      (resid    57   and name CA     )      1  180.00  4.00 2 

! G57 
assign 
      (resid    57   and name CA     )
      (resid    57   and name C    )
      (resid    58   and name N     )
      (resid    58   and name CA     )      1  180.00  4.00 2 

! S58 
assign 
      (resid    58   and name CA     )
      (resid    58   and name C    )
      (resid    59   and name N     )
      (resid    59   and name CA     )      1  180.00  4.00 2 

! N59 
assign 
      (resid    59   and name CA     )
      (resid    59   and name C    )
      (resid    60   and name N     )
      (resid    60   and name CA     )      1  180.00  4.00 2 

! S60 
assign 
      (resid    60   and name CA     )
      (resid    60   and name C    )
      (resid    61   and name N     )
      (resid    61   and name CA     )      1  180.00  4.00 2 

! P61 
assign 
      (resid    61   and name CA     )
      (resid    61   and name C    )
      (resid    62   and name N     )
      (resid    62   and name CA     )      1  180.00  4.00 2 



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           1HT      GLY   1 -44.891  -5.754  11.216
    2    H2   GLY   1           2HT      GLY   1 -44.571  -7.154  12.125
    3    H3   GLY   1           3HT      GLY   1 -45.605  -7.231  10.779
    4    HA2  GLY   1           2HA      GLY   1 -43.702  -6.573   9.348
    5    HA3  GLY   1           1HA      GLY   1 -42.677  -6.761  10.772
    6    H    SER   2           H        SER   2 -45.122  -8.511   8.850
    7    HA   SER   2           HA       SER   2 -44.194 -11.091   9.799
    8    HB2  SER   2           2HB      SER   2 -46.128 -10.531   7.546
    9    HB3  SER   2           1HB      SER   2 -45.959 -12.019   8.474
   10    HG   SER   2           HG       SER   2 -47.458  -9.887   9.003
   11    H    MET   3           H        MET   3 -44.361  -9.448   6.627
   12    HA   MET   3           HA       MET   3 -42.770 -11.404   5.293
   13    HB2  MET   3           2HB      MET   3 -42.667  -9.717   3.457
   14    HB3  MET   3           1HB      MET   3 -44.308 -10.043   4.009
   15    HG2  MET   3           2HG      MET   3 -44.472  -7.984   5.144
   16    HG3  MET   3           1HG      MET   3 -42.723  -7.764   5.187
   17    HE1  MET   3           3HE      MET   3 -42.912  -5.249   4.264
   18    HE2  MET   3           1HE      MET   3 -44.636  -5.568   4.506
   19    HE3  MET   3           2HE      MET   3 -44.075  -4.827   3.009
   20    H    ALA   4           H        ALA   4 -40.645 -11.104   4.391
   21    HA   ALA   4           HA       ALA   4 -38.931  -9.211   5.894
   22    HB1  ALA   4           1HB      ALA   4 -38.555 -12.162   5.404
   23    HB2  ALA   4           2HB      ALA   4 -38.457 -11.276   6.926
   24    HB3  ALA   4           3HB      ALA   4 -37.181 -11.103   5.722
   25    H    GLN   5           H        GLN   5 -40.105  -8.953   3.219
   26    HA   GLN   5           HA       GLN   5 -37.682  -9.113   1.524
   27    HB2  GLN   5           2HB      GLN   5 -39.269  -8.967  -0.397
   28    HB3  GLN   5           1HB      GLN   5 -39.514 -10.402   0.594
   29    HG2  GLN   5           2HG      GLN   5 -41.473  -9.529   1.586
   30    HG3  GLN   5           1HG      GLN   5 -41.085  -7.878   1.106
   31   HE21  GLN   5          1HE2      GLN   5 -42.466  -7.205  -0.529
   32   HE22  GLN   5          2HE2      GLN   5 -43.025  -8.190  -1.804
   33    H    GLU   6           H        GLU   6 -38.172  -6.996   3.469
   34    HA   GLU   6           HA       GLU   6 -38.701  -4.675   1.716
   35    HB2  GLU   6           2HB      GLU   6 -39.933  -5.051   3.974
   36    HB3  GLU   6           1HB      GLU   6 -38.417  -4.522   4.704
   37    HG2  GLU   6           2HG      GLU   6 -38.522  -2.489   3.186
   38    HG3  GLU   6           1HG      GLU   6 -40.161  -2.983   2.768
   39    H    THR   7           H        THR   7 -36.763  -4.332   0.706
   40    HA   THR   7           HA       THR   7 -34.323  -4.139   2.339
   41    HB   THR   7           HB       THR   7 -34.481  -3.836  -0.655
   42    HG1  THR   7           1HG      THR   7 -34.287  -6.222   0.868
   43   HG21  THR   7          3HG2      THR   7 -32.391  -3.284   0.669
   44   HG22  THR   7          1HG2      THR   7 -32.182  -4.522  -0.571
   45   HG23  THR   7          2HG2      THR   7 -32.323  -4.986   1.126
   46    H    ASN   8           H        ASN   8 -33.655  -2.214   3.043
   47    HA   ASN   8           HA       ASN   8 -34.575   0.218   1.621
   48    HB2  ASN   8           2HB      ASN   8 -34.325   1.384   3.808
   49    HB3  ASN   8           1HB      ASN   8 -35.546   0.118   3.837
   50   HD21  ASN   8          1HD2      ASN   8 -32.746   1.279   5.422
   51   HD22  ASN   8          2HD2      ASN   8 -32.444  -0.095   6.387
   52    H    GLN   9           H        GLN   9 -31.876  -1.216   3.452
   53    HA   GLN   9           HA       GLN   9 -30.003   0.385   1.838
   54    HB2  GLN   9           2HB      GLN   9 -30.080   0.224   4.853
   55    HB3  GLN   9           1HB      GLN   9 -28.631   0.693   3.963
   56    HG2  GLN   9           2HG      GLN   9 -29.890   2.521   2.880
   57    HG3  GLN   9           1HG      GLN   9 -31.331   2.062   3.787
   58   HE21  GLN   9          1HE2      GLN   9 -30.961   2.021   6.291
   59   HE22  GLN   9          2HE2      GLN   9 -29.985   3.266   6.929
   60    H    THR  10           H        THR  10 -27.886  -0.553   1.665
   61    HA   THR  10           HA       THR  10 -27.924  -3.461   2.053
   62    HB   THR  10           HB       THR  10 -27.373  -2.702  -0.191
   63    HG1  THR  10           1HG      THR  10 -25.018  -3.596   1.113
   64   HG21  THR  10          3HG2      THR  10 -26.373  -0.663  -0.307
   65   HG22  THR  10          1HG2      THR  10 -24.873  -1.573  -0.131
   66   HG23  THR  10          2HG2      THR  10 -25.623  -0.829   1.279
   67    HA   PRO  11           HA       PRO  11 -24.894  -2.981   5.308
   68    HB2  PRO  11           2HB      PRO  11 -24.392  -5.572   5.839
   69    HB3  PRO  11           1HB      PRO  11 -25.983  -4.855   6.169
   70    HG2  PRO  11           2HG      PRO  11 -25.155  -6.695   4.013
   71    HG3  PRO  11           1HG      PRO  11 -26.729  -6.503   4.796
   72    HD2  PRO  11           2HD      PRO  11 -25.920  -5.410   2.286
   73    HD3  PRO  11           1HD      PRO  11 -27.435  -5.088   3.157
   74    H    GLY  12           H        GLY  12 -22.615  -3.374   5.785
   75    HA2  GLY  12           2HA      GLY  12 -20.406  -3.923   5.291
   76    HA3  GLY  12           1HA      GLY  12 -20.954  -4.655   3.784
   77    HA   PRO  13           HA       PRO  13 -20.711  -0.150   2.347
   78    HB2  PRO  13           2HB      PRO  13 -20.669   1.937   4.102
   79    HB3  PRO  13           1HB      PRO  13 -22.180   1.192   3.537
   80    HG2  PRO  13           2HG      PRO  13 -20.716   0.801   6.100
   81    HG3  PRO  13           1HG      PRO  13 -22.460   0.933   5.803
   82    HD2  PRO  13           2HD      PRO  13 -21.184  -1.463   6.201
   83    HD3  PRO  13           1HD      PRO  13 -22.664  -1.298   5.231
   84    H    MET  14           H        MET  14 -18.566  -1.090   2.005
   85    HA   MET  14           HA       MET  14 -16.376  -0.500   3.750
   86    HB2  MET  14           2HB      MET  14 -16.755  -1.809   1.106
   87    HB3  MET  14           1HB      MET  14 -15.164  -1.103   1.385
   88    HG2  MET  14           2HG      MET  14 -16.490  -2.922   3.406
   89    HG3  MET  14           1HG      MET  14 -15.468  -3.542   2.113
   90    HE1  MET  14           3HE      MET  14 -14.737  -3.582   5.640
   91    HE2  MET  14           1HE      MET  14 -15.955  -2.337   5.329
   92    HE3  MET  14           2HE      MET  14 -14.413  -1.902   6.061
   93    H    LEU  15           H        LEU  15 -17.147   1.879   3.812
   94    HA   LEU  15           HA       LEU  15 -16.455   3.542   1.576
   95    HB2  LEU  15           2HB      LEU  15 -17.745   3.857   4.159
   96    HB3  LEU  15           1HB      LEU  15 -16.557   5.132   3.922
   97    HG   LEU  15           HG       LEU  15 -18.786   5.796   3.084
   98   HD11  LEU  15          1HD1      LEU  15 -16.927   5.350   0.744
   99   HD12  LEU  15          2HD1      LEU  15 -16.632   6.563   1.990
  100   HD13  LEU  15          3HD1      LEU  15 -18.071   6.671   0.979
  101   HD21  LEU  15          3HD2      LEU  15 -19.432   3.403   2.425
  102   HD22  LEU  15          1HD2      LEU  15 -18.491   3.664   0.955
  103   HD23  LEU  15          2HD2      LEU  15 -19.897   4.673   1.294
  104    H    CYS  16           H        CYS  16 -14.655   4.851   1.321
  105    HA   CYS  16           HA       CYS  16 -12.163   3.872   1.993
  106    HB2  CYS  16           2HB      CYS  16 -12.772   5.663   0.276
  107    HB3  CYS  16           1HB      CYS  16 -12.645   6.821   1.606
  108    H    SER  17           H        SER  17 -10.905   3.828   3.720
  109    HA   SER  17           HA       SER  17 -11.761   4.743   6.252
  110    HB2  SER  17           2HB      SER  17  -9.113   3.714   5.245
  111    HB3  SER  17           1HB      SER  17  -9.350   4.209   6.923
  112    HG   SER  17           HG       SER  17  -9.847   1.888   6.028
  113    H    THR  18           H        THR  18  -9.729   6.252   3.803
  114    HA   THR  18           HA       THR  18  -8.650   8.259   5.547
  115    HB   THR  18           HB       THR  18  -7.881   9.360   3.484
  116    HG1  THR  18           1HG      THR  18  -9.195   9.051   1.883
  117   HG21  THR  18          3HG2      THR  18  -7.519   6.350   3.411
  118   HG22  THR  18          1HG2      THR  18  -6.627   7.445   4.468
  119   HG23  THR  18          2HG2      THR  18  -6.429   7.553   2.720
  120    H    GLY  19           H        GLY  19 -11.708   7.922   3.948
  121    HA2  GLY  19           2HA      GLY  19 -13.582   9.247   4.294
  122    HA3  GLY  19           1HA      GLY  19 -12.560  10.458   5.056
  123    H    CYS  20           H        CYS  20 -12.314   9.043   1.767
  124    HA   CYS  20           HA       CYS  20 -12.205  11.747   0.681
  125    HB2  CYS  20           2HB      CYS  20 -11.606  10.706  -1.444
  126    HB3  CYS  20           1HB      CYS  20 -10.594  10.086  -0.145
  127    H    GLY  21           H        GLY  21 -14.565   9.214   1.033
  128    HA2  GLY  21           2HA      GLY  21 -16.894   9.677   0.835
  129    HA3  GLY  21           1HA      GLY  21 -16.527  10.892  -0.383
  130    H    PHE  22           H        PHE  22 -14.753   8.057  -0.998
  131    HA   PHE  22           HA       PHE  22 -16.744   7.173  -2.987
  132    HB2  PHE  22           2HB      PHE  22 -13.716   7.088  -3.048
  133    HB3  PHE  22           1HB      PHE  22 -14.759   6.325  -4.253
  134    HD1  PHE  22           1HD      PHE  22 -14.085   9.625  -2.616
  135    HD2  PHE  22           2HD      PHE  22 -15.527   7.570  -6.100
  136    HE1  PHE  22           1HE      PHE  22 -14.252  11.787  -3.820
  137    HE2  PHE  22           2HE      PHE  22 -15.701   9.734  -7.302
  138    HZ   PHE  22           HZ       PHE  22 -15.064  11.843  -6.162
  139    H    TYR  23           H        TYR  23 -16.730   4.882  -3.502
  140    HA   TYR  23           HA       TYR  23 -16.782   3.232  -1.182
  141    HB2  TYR  23           2HB      TYR  23 -18.120   3.044  -3.409
  142    HB3  TYR  23           1HB      TYR  23 -16.715   2.148  -3.986
  143    HD1  TYR  23           1HD      TYR  23 -18.933   2.278  -0.937
  144    HD2  TYR  23           2HD      TYR  23 -16.744  -0.151  -3.723
  145    HE1  TYR  23           1HE      TYR  23 -19.794   0.229   0.168
  146    HE2  TYR  23           2HE      TYR  23 -17.597  -2.197  -2.611
  147    HH   TYR  23           HH       TYR  23 -19.032  -2.204   0.392
  148    H    GLY  24           H        GLY  24 -15.480   1.533  -0.578
  149    HA2  GLY  24           2HA      GLY  24 -12.763   1.453  -1.776
  150    HA3  GLY  24           1HA      GLY  24 -13.065   1.284  -0.048
  151    H    ASN  25           H        ASN  25 -11.660  -0.730  -0.861
  152    HA   ASN  25           HA       ASN  25 -13.572  -2.953  -1.308
  153    HB2  ASN  25           2HB      ASN  25 -11.811  -2.271  -3.199
  154    HB3  ASN  25           1HB      ASN  25 -10.735  -3.250  -2.207
  155   HD21  ASN  25          1HD2      ASN  25 -10.616  -5.164  -3.458
  156   HD22  ASN  25          2HD2      ASN  25 -11.979  -6.096  -3.881
  157    HA   PRO  26           HA       PRO  26 -11.655  -4.389   2.457
  158    HB2  PRO  26           2HB      PRO  26 -12.729  -6.883   2.624
  159    HB3  PRO  26           1HB      PRO  26 -13.629  -5.395   2.973
  160    HG2  PRO  26           2HG      PRO  26 -13.736  -7.151   0.599
  161    HG3  PRO  26           1HG      PRO  26 -15.010  -6.179   1.347
  162    HD2  PRO  26           2HD      PRO  26 -13.564  -5.475  -0.956
  163    HD3  PRO  26           1HD      PRO  26 -14.547  -4.371   0.029
  164    H    ARG  27           H        ARG  27 -11.257  -6.087  -0.592
  165    HA   ARG  27           HA       ARG  27  -9.273  -7.957   0.311
  166    HB2  ARG  27           2HB      ARG  27 -10.159  -6.948  -2.386
  167    HB3  ARG  27           1HB      ARG  27  -8.719  -7.954  -2.224
  168    HG2  ARG  27           2HG      ARG  27 -10.325  -9.493  -0.794
  169    HG3  ARG  27           1HG      ARG  27 -11.589  -8.658  -1.701
  170    HD2  ARG  27           2HD      ARG  27  -9.254 -10.188  -2.879
  171    HD3  ARG  27           1HD      ARG  27 -10.936 -10.703  -2.883
  172    HE   ARG  27           HE       ARG  27 -11.074  -8.312  -4.135
  173   HH11  ARG  27          1HH2      ARG  27  -8.965 -11.087  -4.656
  174   HH12  ARG  27          2HH2      ARG  27  -8.778 -10.751  -6.341
  175   HH21  ARG  27          1HH1      ARG  27 -10.786  -7.935  -6.327
  176   HH22  ARG  27          2HH1      ARG  27  -9.793  -8.988  -7.278
  177    H    THR  28           H        THR  28  -9.318  -4.662  -0.906
  178    HA   THR  28           HA       THR  28  -6.437  -4.421  -1.159
  179    HB   THR  28           HB       THR  28  -6.892  -2.039  -1.527
  180    HG1  THR  28           1HG      THR  28  -8.442  -1.420  -0.212
  181   HG21  THR  28          3HG2      THR  28  -8.628  -4.061  -2.896
  182   HG22  THR  28          1HG2      THR  28  -7.293  -3.109  -3.542
  183   HG23  THR  28          2HG2      THR  28  -8.858  -2.351  -3.263
  184    H    ASN  29           H        ASN  29  -6.147  -1.890   0.318
  185    HA   ASN  29           HA       ASN  29  -5.927  -3.011   3.008
  186    HB2  ASN  29           2HB      ASN  29  -4.571  -0.912   1.446
  187    HB3  ASN  29           1HB      ASN  29  -4.868  -0.455   3.125
  188   HD21  ASN  29          1HD2      ASN  29  -4.538  -2.876   4.477
  189   HD22  ASN  29          2HD2      ASN  29  -2.947  -3.446   4.256
  190    H    GLY  30           H        GLY  30  -8.596  -2.118   1.831
  191    HA2  GLY  30           2HA      GLY  30 -10.506  -1.307   2.838
  192    HA3  GLY  30           1HA      GLY  30  -9.516  -0.647   4.137
  193    H    MET  31           H        MET  31  -8.301   0.230   1.064
  194    HA   MET  31           HA       MET  31  -9.579   2.890   1.244
  195    HB2  MET  31           2HB      MET  31  -6.792   1.973   0.641
  196    HB3  MET  31           1HB      MET  31  -7.375   3.449  -0.129
  197    HG2  MET  31           2HG      MET  31  -6.324   4.103   1.921
  198    HG3  MET  31           1HG      MET  31  -8.058   4.254   2.182
  199    HE1  MET  31           3HE      MET  31  -4.883   3.254   3.445
  200    HE2  MET  31           1HE      MET  31  -5.000   1.737   2.544
  201    HE3  MET  31           2HE      MET  31  -5.014   1.723   4.306
  202    H    CYS  32           H        CYS  32  -9.969   3.985  -0.769
  203    HA   CYS  32           HA       CYS  32 -11.078   2.291  -2.765
  204    HB2  CYS  32           2HB      CYS  32 -11.786   4.338  -3.855
  205    HB3  CYS  32           1HB      CYS  32 -12.036   4.504  -2.118
  206    H    SER  33           H        SER  33 -10.373   3.716  -5.170
  207    HA   SER  33           HA       SER  33  -7.983   2.281  -5.835
  208    HB2  SER  33           2HB      SER  33 -10.124   3.090  -7.268
  209    HB3  SER  33           1HB      SER  33  -8.967   4.335  -7.730
  210    HG   SER  33           HG       SER  33  -8.517   2.726  -9.093
  211    H    VAL  34           H        VAL  34  -8.728   5.773  -5.643
  212    HA   VAL  34           HA       VAL  34  -6.117   6.617  -6.381
  213    HB   VAL  34           HB       VAL  34  -8.106   8.235  -4.767
  214   HG11  VAL  34          1HG1      VAL  34  -7.018  10.121  -5.710
  215   HG12  VAL  34          2HG1      VAL  34  -6.201   9.141  -6.927
  216   HG13  VAL  34          3HG1      VAL  34  -5.707   9.040  -5.236
  217   HG21  VAL  34          3HG2      VAL  34  -9.393   7.425  -6.622
  218   HG22  VAL  34          1HG2      VAL  34  -8.034   7.607  -7.732
  219   HG23  VAL  34          2HG2      VAL  34  -8.847   9.034  -7.091
  220    H    CYS  35           H        CYS  35  -7.707   6.690  -3.177
  221    HA   CYS  35           HA       CYS  35  -5.520   7.547  -1.677
  222    HB2  CYS  35           2HB      CYS  35  -7.799   5.757  -0.802
  223    HB3  CYS  35           1HB      CYS  35  -6.704   6.623   0.277
  224    H    TYR  36           H        TYR  36  -6.392   4.257  -2.668
  225    HA   TYR  36           HA       TYR  36  -4.632   2.860  -0.948
  226    HB2  TYR  36           2HB      TYR  36  -6.450   1.747  -2.153
  227    HB3  TYR  36           1HB      TYR  36  -5.655   2.069  -3.693
  228    HD1  TYR  36           1HD      TYR  36  -4.489   0.753  -0.354
  229    HD2  TYR  36           2HD      TYR  36  -4.756   0.128  -4.597
  230    HE1  TYR  36           1HE      TYR  36  -3.209  -1.358  -0.124
  231    HE2  TYR  36           2HE      TYR  36  -3.479  -1.984  -4.366
  232    HH   TYR  36           HH       TYR  36  -3.138  -3.712  -2.308
  233    H    LYS  37           H        LYS  37  -4.086   4.494  -4.018
  234    HA   LYS  37           HA       LYS  37  -1.514   3.316  -4.496
  235    HB2  LYS  37           2HB      LYS  37  -3.216   4.496  -6.130
  236    HB3  LYS  37           1HB      LYS  37  -2.351   5.953  -5.646
  237    HG2  LYS  37           2HG      LYS  37  -0.205   4.835  -6.275
  238    HG3  LYS  37           1HG      LYS  37  -1.140   3.462  -6.873
  239    HD2  LYS  37           2HD      LYS  37  -2.089   4.703  -8.624
  240    HD3  LYS  37           1HD      LYS  37  -1.754   6.246  -7.838
  241    HE2  LYS  37           2HE      LYS  37   0.618   6.016  -8.257
  242    HE3  LYS  37           1HE      LYS  37   0.394   4.379  -8.871
  243    HZ1  LYS  37           3HZ      LYS  37   0.584   6.291 -10.541
  244    HZ2  LYS  37           1HZ      LYS  37  -1.013   6.662 -10.107
  245    HZ3  LYS  37           2HZ      LYS  37  -0.647   5.144 -10.777
  246    H    GLU  38           H        GLU  38  -2.640   6.486  -3.315
  247    HA   GLU  38           HA       GLU  38  -0.089   7.625  -2.892
  248    HB2  GLU  38           2HB      GLU  38  -2.623   8.262  -1.359
  249    HB3  GLU  38           1HB      GLU  38  -1.229   9.315  -1.592
  250    HG2  GLU  38           2HG      GLU  38  -1.689   9.059  -4.123
  251    HG3  GLU  38           1HG      GLU  38  -3.267   8.425  -3.639
  252    H    HIS  39           H        HIS  39  -2.243   5.815  -0.722
  253    HA   HIS  39           HA       HIS  39  -0.743   6.125   1.649
  254    HB2  HIS  39           2HB      HIS  39  -3.121   5.356   1.500
  255    HB3  HIS  39           1HB      HIS  39  -2.541   3.808   0.889
  256    HD1  HIS  39           1HD      HIS  39  -2.413   5.982   3.999
  257    HD2  HIS  39           2HD      HIS  39  -1.585   2.061   2.854
  258    HE1  HIS  39           1HE      HIS  39  -1.967   4.691   6.129
  259    HE2  HIS  39           2HE      HIS  39  -1.471   2.298   5.450
  260    H    LEU  40           H        LEU  40  -0.763   3.460  -0.736
  261    HA   LEU  40           HA       LEU  40   1.137   1.857   0.601
  262    HB2  LEU  40           2HB      LEU  40  -0.471   1.507  -1.576
  263    HB3  LEU  40           1HB      LEU  40   1.104   1.662  -2.357
  264    HG   LEU  40           HG       LEU  40   1.985  -0.087  -0.777
  265   HD11  LEU  40          1HD1      LEU  40  -0.855   0.069   0.165
  266   HD12  LEU  40          2HD1      LEU  40   0.623  -0.194   1.090
  267   HD13  LEU  40          3HD1      LEU  40  -0.076  -1.515   0.155
  268   HD21  LEU  40          3HD2      LEU  40  -0.396  -0.876  -2.488
  269   HD22  LEU  40          1HD2      LEU  40   0.864  -1.976  -1.931
  270   HD23  LEU  40          2HD2      LEU  40   1.262  -0.675  -3.053
  271    H    GLN  41           H        GLN  41   1.530   4.569  -1.590
  272    HA   GLN  41           HA       GLN  41   4.254   4.147  -2.281
  273    HB2  GLN  41           2HB      GLN  41   2.643   5.736  -3.413
  274    HB3  GLN  41           1HB      GLN  41   2.861   6.822  -2.042
  275    HG2  GLN  41           2HG      GLN  41   4.451   7.585  -3.609
  276    HG3  GLN  41           1HG      GLN  41   5.398   6.579  -2.512
  277   HE21  GLN  41          1HE2      GLN  41   4.471   7.015  -5.801
  278   HE22  GLN  41          2HE2      GLN  41   5.149   5.573  -6.407
  279    H    ARG  42           H        ARG  42   2.680   5.887   0.373
  280    HA   ARG  42           HA       ARG  42   5.105   6.909   1.505
  281    HB2  ARG  42           2HB      ARG  42   2.411   7.422   1.846
  282    HB3  ARG  42           1HB      ARG  42   2.815   6.593   3.345
  283    HG2  ARG  42           2HG      ARG  42   3.246   8.877   3.802
  284    HG3  ARG  42           1HG      ARG  42   4.839   8.194   3.471
  285    HD2  ARG  42           2HD      ARG  42   4.981   9.198   1.370
  286    HD3  ARG  42           1HD      ARG  42   3.235   9.338   1.204
  287    HE   ARG  42           HE       ARG  42   4.029  10.952   3.362
  288   HH11  ARG  42          1HH2      ARG  42   4.500  10.831  -0.123
  289   HH12  ARG  42          2HH2      ARG  42   4.610  12.550  -0.269
  290   HH21  ARG  42          1HH1      ARG  42   4.186  13.173   3.108
  291   HH22  ARG  42          2HH1      ARG  42   4.432  13.862   1.538
  292    H    GLN  43           H        GLN  43   3.236   3.960   1.920
  293    HA   GLN  43           HA       GLN  43   4.546   3.125   4.339
  294    HB2  GLN  43           2HB      GLN  43   2.231   2.398   3.322
  295    HB3  GLN  43           1HB      GLN  43   3.204   1.208   2.460
  296    HG2  GLN  43           2HG      GLN  43   3.990   0.234   4.488
  297    HG3  GLN  43           1HG      GLN  43   3.407   1.589   5.452
  298   HE21  GLN  43          1HE2      GLN  43   0.928   1.875   5.447
  299   HE22  GLN  43          2HE2      GLN  43  -0.019   0.470   5.361
  300    H    GLN  44           H        GLN  44   4.937   2.461   0.889
  301    HA   GLN  44           HA       GLN  44   6.898   0.420   1.134
  302    HB2  GLN  44           2HB      GLN  44   5.499   1.021  -0.916
  303    HB3  GLN  44           1HB      GLN  44   6.658   2.320  -1.193
  304    HG2  GLN  44           2HG      GLN  44   8.395   0.862  -1.676
  305    HG3  GLN  44           1HG      GLN  44   7.712  -0.444  -0.708
  306   HE21  GLN  44          1HE2      GLN  44   6.485  -2.008  -1.810
  307   HE22  GLN  44          2HE2      GLN  44   5.992  -1.863  -3.437
  308    H    ASN  45           H        ASN  45   7.124   3.945   0.869
  309    HA   ASN  45           HA       ASN  45   9.917   4.132   0.473
  310    HB2  ASN  45           2HB      ASN  45   8.175   5.968   0.196
  311    HB3  ASN  45           1HB      ASN  45   8.247   6.166   1.946
  312   HD21  ASN  45          1HD2      ASN  45   9.829   6.947  -1.039
  313   HD22  ASN  45          2HD2      ASN  45  11.191   7.713  -0.355
  314    H    SER  46           H        SER  46   8.019   3.597   3.369
  315    HA   SER  46           HA       SER  46   9.993   4.341   5.279
  316    HB2  SER  46           2HB      SER  46   7.487   3.946   5.666
  317    HB3  SER  46           1HB      SER  46   7.884   2.231   5.711
  318    HG   SER  46           HG       SER  46   8.202   4.103   7.607
  319    H    GLY  47           H        GLY  47   8.886   1.061   4.357
  320    HA2  GLY  47           2HA      GLY  47  10.217  -0.807   3.848
  321    HA3  GLY  47           1HA      GLY  47  11.643   0.096   4.353
  322    H    ARG  48           H        ARG  48  11.275   0.826   6.858
  323    HA   ARG  48           HA       ARG  48  11.159  -1.705   8.299
  324    HB2  ARG  48           2HB      ARG  48  12.049   1.079   9.076
  325    HB3  ARG  48           1HB      ARG  48  12.011  -0.276  10.206
  326    HG2  ARG  48           2HG      ARG  48  13.429  -0.519   7.557
  327    HG3  ARG  48           1HG      ARG  48  14.236   0.200   8.951
  328    HD2  ARG  48           2HD      ARG  48  13.550  -1.887  10.249
  329    HD3  ARG  48           1HD      ARG  48  13.117  -2.596   8.696
  330    HE   ARG  48           HE       ARG  48  15.661  -1.734   8.279
  331   HH11  ARG  48          1HH2      ARG  48  14.228  -3.716  10.812
  332   HH12  ARG  48          2HH2      ARG  48  15.681  -4.617  11.065
  333   HH21  ARG  48          1HH1      ARG  48  17.511  -2.943   8.657
  334   HH22  ARG  48          2HH1      ARG  48  17.516  -4.190   9.860
  335    H    MET  49           H        MET  49   8.807  -1.901   7.982
  336    HA   MET  49           HA       MET  49   7.109  -0.042   9.431
  337    HB2  MET  49           2HB      MET  49   5.246  -1.413   8.641
  338    HB3  MET  49           1HB      MET  49   6.319  -1.012   7.305
  339    HG2  MET  49           2HG      MET  49   7.430  -3.290   7.694
  340    HG3  MET  49           1HG      MET  49   6.078  -3.657   8.760
  341    HE1  MET  49           3HE      MET  49   5.644  -5.851   6.888
  342    HE2  MET  49           1HE      MET  49   7.150  -5.116   6.320
  343    HE3  MET  49           2HE      MET  49   5.854  -5.467   5.181
  344    H    SER  50           H        SER  50   6.780  -0.169  11.546
  345    HA   SER  50           HA       SER  50   6.315  -2.724  12.833
  346    HB2  SER  50           2HB      SER  50   8.799  -1.116  13.322
  347    HB3  SER  50           1HB      SER  50   8.087  -2.059  14.627
  348    HG   SER  50           HG       SER  50   9.001  -2.950  12.093
  349    HA   PRO  51           HA       PRO  51   3.992   0.691  14.825
  350    HB2  PRO  51           2HB      PRO  51   1.589  -0.540  15.011
  351    HB3  PRO  51           1HB      PRO  51   2.160   0.195  13.501
  352    HG2  PRO  51           2HG      PRO  51   2.021  -2.659  14.279
  353    HG3  PRO  51           1HG      PRO  51   1.828  -1.906  12.688
  354    HD2  PRO  51           2HD      PRO  51   4.155  -3.180  13.638
  355    HD3  PRO  51           1HD      PRO  51   4.049  -2.129  12.210
  356    H    MET  52           H        MET  52   5.402   0.271  16.683
  357    HA   MET  52           HA       MET  52   3.964  -1.084  18.855
  358    HB2  MET  52           2HB      MET  52   5.815  -2.558  17.726
  359    HB3  MET  52           1HB      MET  52   6.928  -1.513  18.609
  360    HG2  MET  52           2HG      MET  52   6.535  -3.285  20.114
  361    HG3  MET  52           1HG      MET  52   5.435  -2.024  20.671
  362    HE1  MET  52           3HE      MET  52   4.890  -4.579  17.423
  363    HE2  MET  52           1HE      MET  52   4.653  -5.928  18.542
  364    HE3  MET  52           2HE      MET  52   6.121  -4.958  18.627
  365    H    GLY  53           H        GLY  53   4.197   1.680  18.287
  366    HA2  GLY  53           2HA      GLY  53   4.424   3.559  19.651
  367    HA3  GLY  53           1HA      GLY  53   5.383   2.599  20.774
  368    H    THR  54           H        THR  54   7.574   1.867  19.802
  369    HA   THR  54           HA       THR  54   8.817   4.211  18.486
  370    HB   THR  54           HB       THR  54   9.718   3.872  20.705
  371    HG1  THR  54           1HG      THR  54  11.616   4.190  19.917
  372   HG21  THR  54          3HG2      THR  54  10.140   1.009  19.802
  373   HG22  THR  54          1HG2      THR  54   9.116   1.568  21.125
  374   HG23  THR  54          2HG2      THR  54  10.871   1.695  21.254
  375    H    ALA  55           H        ALA  55  10.801   3.658  17.183
  376    HA   ALA  55           HA       ALA  55  10.712   1.018  15.909
  377    HB1  ALA  55           1HB      ALA  55  10.818   2.191  13.646
  378    HB2  ALA  55           2HB      ALA  55  10.268   3.642  14.483
  379    HB3  ALA  55           3HB      ALA  55   9.251   2.202  14.454
  380    H    SER  56           H        SER  56  12.692   0.311  15.260
  381    HA   SER  56           HA       SER  56  14.995   1.907  16.018
  382    HB2  SER  56           2HB      SER  56  14.928  -0.501  16.527
  383    HB3  SER  56           1HB      SER  56  14.828  -0.864  14.807
  384    HG   SER  56           HG       SER  56  16.963  -0.979  15.327
  385    H    GLY  57           H        GLY  57  16.720   2.472  14.626
  386    HA2  GLY  57           2HA      GLY  57  17.764   2.978  12.611
  387    HA3  GLY  57           1HA      GLY  57  16.470   2.138  11.760
  388    H    SER  58           H        SER  58  17.288   5.149  13.445
  389    HA   SER  58           HA       SER  58  15.486   6.602  11.626
  390    HB2  SER  58           2HB      SER  58  14.442   6.113  13.950
  391    HB3  SER  58           1HB      SER  58  15.582   7.313  14.550
  392    HG   SER  58           HG       SER  58  13.529   8.189  13.914
  393    H    ASN  59           H        ASN  59  18.367   6.289  11.639
  394    HA   ASN  59           HA       ASN  59  19.484   8.753  12.692
  395    HB2  ASN  59           2HB      ASN  59  20.624   6.479  11.063
  396    HB3  ASN  59           1HB      ASN  59  21.556   7.918  11.480
  397   HD21  ASN  59          1HD2      ASN  59  20.689   4.818  12.586
  398   HD22  ASN  59          2HD2      ASN  59  21.138   5.012  14.211
  399    H    SER  60           H        SER  60  20.422  10.412  11.408
  400    HA   SER  60           HA       SER  60  19.773  10.458   8.553
  401    HB2  SER  60           2HB      SER  60  17.869  11.483   9.991
  402    HB3  SER  60           1HB      SER  60  18.990  12.816  10.255
  403    HG   SER  60           HG       SER  60  18.693  13.432   8.264
  404    HA   PRO  61           HA       PRO  61  24.004  12.135   9.485
  405    HB2  PRO  61           2HB      PRO  61  24.448  11.321   6.664
  406    HB3  PRO  61           1HB      PRO  61  25.397  10.941   8.112
  407    HG2  PRO  61           2HG      PRO  61  23.871   9.115   6.895
  408    HG3  PRO  61           1HG      PRO  61  24.105   9.133   8.651
  409    HD2  PRO  61           2HD      PRO  61  21.729  10.020   7.058
  410    HD3  PRO  61           1HD      PRO  61  21.790   9.228   8.648
  411    H    THR  62           H        THR  62  24.939  14.093   8.838
  412    HA   THR  62           HA       THR  62  23.208  15.839   7.268
  413    HB   THR  62           HB       THR  62  24.976  17.565   8.001
  414    HG1  THR  62           1HG      THR  62  26.651  16.623   8.839
  415   HG21  THR  62          3HG2      THR  62  23.995  17.685  10.263
  416   HG22  THR  62          1HG2      THR  62  23.379  16.043  10.082
  417   HG23  THR  62          2HG2      THR  62  22.761  17.336   9.053
  Start of MODEL    2
    1    H1   GLY   1           1HT      GLY   1 -48.658 -14.741   1.000
    2    H2   GLY   1           2HT      GLY   1 -47.150 -14.543   1.757
    3    H3   GLY   1           3HT      GLY   1 -47.387 -15.812   0.651
    4    HA2  GLY   1           2HA      GLY   1 -47.722 -14.193  -1.136
    5    HA3  GLY   1           1HA      GLY   1 -47.383 -12.909   0.024
    6    H    SER   2           H        SER   2 -45.613 -12.432  -1.551
    7    HA   SER   2           HA       SER   2 -43.375 -14.265  -1.666
    8    HB2  SER   2           2HB      SER   2 -42.284 -12.174  -2.746
    9    HB3  SER   2           1HB      SER   2 -43.586 -12.981  -3.614
   10    HG   SER   2           HG       SER   2 -43.590 -10.534  -3.171
   11    H    MET   3           H        MET   3 -41.478 -14.152  -0.536
   12    HA   MET   3           HA       MET   3 -41.489 -12.458   1.850
   13    HB2  MET   3           2HB      MET   3 -39.725 -14.772   1.014
   14    HB3  MET   3           1HB      MET   3 -39.549 -13.882   2.527
   15    HG2  MET   3           2HG      MET   3 -42.155 -15.176   1.704
   16    HG3  MET   3           1HG      MET   3 -40.933 -16.028   2.650
   17    HE1  MET   3           3HE      MET   3 -44.290 -14.201   4.379
   18    HE2  MET   3           1HE      MET   3 -43.943 -15.067   2.875
   19    HE3  MET   3           2HE      MET   3 -43.903 -13.306   2.911
   20    H    ALA   4           H        ALA   4 -41.018 -10.436   0.886
   21    HA   ALA   4           HA       ALA   4 -38.171 -10.098   0.196
   22    HB1  ALA   4           1HB      ALA   4 -40.451  -8.781  -1.300
   23    HB2  ALA   4           2HB      ALA   4 -39.510 -10.147  -1.902
   24    HB3  ALA   4           3HB      ALA   4 -38.728  -8.590  -1.626
   25    H    GLN   5           H        GLN   5 -39.676  -9.615   2.671
   26    HA   GLN   5           HA       GLN   5 -39.323  -6.679   2.878
   27    HB2  GLN   5           2HB      GLN   5 -41.714  -7.705   3.113
   28    HB3  GLN   5           1HB      GLN   5 -41.145  -8.223   4.701
   29    HG2  GLN   5           2HG      GLN   5 -42.113  -6.101   5.100
   30    HG3  GLN   5           1HG      GLN   5 -40.380  -5.780   5.020
   31   HE21  GLN   5          1HE2      GLN   5 -43.322  -5.765   2.942
   32   HE22  GLN   5          2HE2      GLN   5 -42.774  -4.506   1.929
   33    H    GLU   6           H        GLU   6 -37.309  -8.763   3.264
   34    HA   GLU   6           HA       GLU   6 -36.928  -9.224   6.059
   35    HB2  GLU   6           2HB      GLU   6 -34.643  -9.950   5.375
   36    HB3  GLU   6           1HB      GLU   6 -35.919 -10.734   4.448
   37    HG2  GLU   6           2HG      GLU   6 -35.510  -9.390   2.534
   38    HG3  GLU   6           1HG      GLU   6 -34.569  -8.220   3.456
   39    H    THR   7           H        THR   7 -34.558  -8.546   6.887
   40    HA   THR   7           HA       THR   7 -34.674  -5.654   7.116
   41    HB   THR   7           HB       THR   7 -32.630  -6.122   8.635
   42    HG1  THR   7           1HG      THR   7 -31.996  -8.110   8.282
   43   HG21  THR   7          3HG2      THR   7 -35.129  -5.781   9.245
   44   HG22  THR   7          1HG2      THR   7 -34.072  -6.516  10.451
   45   HG23  THR   7          2HG2      THR   7 -35.152  -7.528   9.490
   46    H    ASN   8           H        ASN   8 -33.592  -4.302   5.834
   47    HA   ASN   8           HA       ASN   8 -31.398  -5.341   4.176
   48    HB2  ASN   8           2HB      ASN   8 -33.401  -4.032   3.234
   49    HB3  ASN   8           1HB      ASN   8 -32.640  -2.610   3.947
   50   HD21  ASN   8          1HD2      ASN   8 -31.447  -1.523   2.380
   51   HD22  ASN   8          2HD2      ASN   8 -30.515  -2.274   1.166
   52    H    GLN   9           H        GLN   9 -32.056  -3.026   6.742
   53    HA   GLN   9           HA       GLN   9 -29.666  -1.515   6.562
   54    HB2  GLN   9           2HB      GLN   9 -31.539  -2.097   8.860
   55    HB3  GLN   9           1HB      GLN   9 -30.140  -1.033   9.017
   56    HG2  GLN   9           2HG      GLN   9 -32.225  -0.654   6.860
   57    HG3  GLN   9           1HG      GLN   9 -32.361   0.104   8.445
   58   HE21  GLN   9          1HE2      GLN   9 -30.600   1.644   9.071
   59   HE22  GLN   9          2HE2      GLN   9 -29.703   2.425   7.848
   60    H    THR  10           H        THR  10 -27.816  -2.731   6.350
   61    HA   THR  10           HA       THR  10 -26.816  -4.000   8.759
   62    HB   THR  10           HB       THR  10 -26.128  -6.053   7.309
   63    HG1  THR  10           1HG      THR  10 -28.473  -5.197   5.961
   64   HG21  THR  10          3HG2      THR  10 -27.785  -7.235   8.369
   65   HG22  THR  10          1HG2      THR  10 -29.053  -6.125   7.852
   66   HG23  THR  10          2HG2      THR  10 -28.010  -5.702   9.210
   67    HA   PRO  11           HA       PRO  11 -22.965  -2.373   7.323
   68    HB2  PRO  11           2HB      PRO  11 -21.186  -4.432   7.928
   69    HB3  PRO  11           1HB      PRO  11 -21.779  -3.224   9.079
   70    HG2  PRO  11           2HG      PRO  11 -22.662  -6.025   8.650
   71    HG3  PRO  11           1HG      PRO  11 -22.523  -5.096  10.153
   72    HD2  PRO  11           2HD      PRO  11 -24.920  -5.563   8.963
   73    HD3  PRO  11           1HD      PRO  11 -24.585  -4.074   9.877
   74    H    GLY  12           H        GLY  12 -21.482  -2.421   5.575
   75    HA2  GLY  12           2HA      GLY  12 -20.799  -4.539   3.936
   76    HA3  GLY  12           1HA      GLY  12 -22.328  -3.936   3.299
   77    HA   PRO  13           HA       PRO  13 -20.445  -0.554   1.163
   78    HB2  PRO  13           2HB      PRO  13 -21.237   1.821   2.370
   79    HB3  PRO  13           1HB      PRO  13 -22.224   0.877   1.235
   80    HG2  PRO  13           2HG      PRO  13 -22.295   0.930   4.213
   81    HG3  PRO  13           1HG      PRO  13 -23.635   0.884   3.051
   82    HD2  PRO  13           2HD      PRO  13 -22.862  -1.329   4.360
   83    HD3  PRO  13           1HD      PRO  13 -23.401  -1.409   2.668
   84    H    MET  14           H        MET  14 -18.318  -1.231   1.887
   85    HA   MET  14           HA       MET  14 -17.027  -0.019   4.139
   86    HB2  MET  14           2HB      MET  14 -16.365  -1.951   2.036
   87    HB3  MET  14           1HB      MET  14 -15.012  -0.877   2.383
   88    HG2  MET  14           2HG      MET  14 -14.821  -2.768   3.861
   89    HG3  MET  14           1HG      MET  14 -15.348  -1.400   4.838
   90    HE1  MET  14           3HE      MET  14 -16.740  -2.038   6.720
   91    HE2  MET  14           1HE      MET  14 -15.772  -3.501   6.496
   92    HE3  MET  14           2HE      MET  14 -17.494  -3.624   6.847
   93    H    LEU  15           H        LEU  15 -17.322   2.223   3.926
   94    HA   LEU  15           HA       LEU  15 -16.485   3.636   1.565
   95    HB2  LEU  15           2HB      LEU  15 -17.819   4.263   4.082
   96    HB3  LEU  15           1HB      LEU  15 -16.611   5.483   3.692
   97    HG   LEU  15           HG       LEU  15 -17.613   5.603   1.371
   98   HD11  LEU  15          1HD1      LEU  15 -19.807   3.972   2.691
   99   HD12  LEU  15          2HD1      LEU  15 -18.743   3.406   1.403
  100   HD13  LEU  15          3HD1      LEU  15 -19.894   4.705   1.090
  101   HD21  LEU  15          3HD2      LEU  15 -18.173   7.327   2.951
  102   HD22  LEU  15          1HD2      LEU  15 -19.306   6.267   3.790
  103   HD23  LEU  15          2HD2      LEU  15 -19.674   6.841   2.163
  104    H    CYS  16           H        CYS  16 -14.653   4.922   1.279
  105    HA   CYS  16           HA       CYS  16 -12.192   3.950   2.013
  106    HB2  CYS  16           2HB      CYS  16 -12.770   5.751   0.276
  107    HB3  CYS  16           1HB      CYS  16 -12.593   6.905   1.601
  108    H    SER  17           H        SER  17 -10.757   4.138   3.626
  109    HA   SER  17           HA       SER  17 -11.586   4.953   6.217
  110    HB2  SER  17           2HB      SER  17  -8.699   4.627   5.438
  111    HB3  SER  17           1HB      SER  17  -9.490   4.211   6.961
  112    HG   SER  17           HG       SER  17 -10.311   2.429   6.058
  113    H    THR  18           H        THR  18  -9.715   6.540   3.679
  114    HA   THR  18           HA       THR  18  -8.747   8.697   5.280
  115    HB   THR  18           HB       THR  18  -8.204   9.760   3.125
  116    HG1  THR  18           1HG      THR  18  -9.752   9.265   1.741
  117   HG21  THR  18          3HG2      THR  18  -7.576   6.837   2.823
  118   HG22  THR  18          1HG2      THR  18  -6.920   7.747   4.183
  119   HG23  THR  18          2HG2      THR  18  -6.535   8.229   2.530
  120    H    GLY  19           H        GLY  19 -11.894   8.031   4.050
  121    HA2  GLY  19           2HA      GLY  19 -13.839   9.223   4.314
  122    HA3  GLY  19           1HA      GLY  19 -12.899  10.535   5.029
  123    H    CYS  20           H        CYS  20 -12.028   9.285   1.863
  124    HA   CYS  20           HA       CYS  20 -12.237  11.850   0.687
  125    HB2  CYS  20           2HB      CYS  20 -11.676  10.742  -1.436
  126    HB3  CYS  20           1HB      CYS  20 -10.617  10.209  -0.127
  127    H    GLY  21           H        GLY  21 -14.628   9.393   1.157
  128    HA2  GLY  21           2HA      GLY  21 -16.944   9.797   0.884
  129    HA3  GLY  21           1HA      GLY  21 -16.568  11.026  -0.319
  130    H    PHE  22           H        PHE  22 -14.758   8.211  -0.930
  131    HA   PHE  22           HA       PHE  22 -16.614   7.440  -3.066
  132    HB2  PHE  22           2HB      PHE  22 -13.624   7.206  -2.719
  133    HB3  PHE  22           1HB      PHE  22 -14.486   6.311  -3.969
  134    HD1  PHE  22           2HD      PHE  22 -13.965   9.765  -2.628
  135    HD2  PHE  22           1HD      PHE  22 -15.076   7.336  -5.997
  136    HE1  PHE  22           2HE      PHE  22 -13.985  11.777  -4.076
  137    HE2  PHE  22           1HE      PHE  22 -15.091   9.351  -7.444
  138    HZ   PHE  22           HZ       PHE  22 -14.547  11.569  -6.484
  139    H    TYR  23           H        TYR  23 -15.848   4.961  -3.687
  140    HA   TYR  23           HA       TYR  23 -16.684   3.387  -1.347
  141    HB2  TYR  23           2HB      TYR  23 -17.785   3.328  -3.740
  142    HB3  TYR  23           1HB      TYR  23 -16.437   2.252  -4.115
  143    HD1  TYR  23           1HD      TYR  23 -18.972   2.793  -1.399
  144    HD2  TYR  23           2HD      TYR  23 -16.747  -0.036  -3.749
  145    HE1  TYR  23           1HE      TYR  23 -20.169   0.930  -0.285
  146    HE2  TYR  23           2HE      TYR  23 -17.941  -1.900  -2.633
  147    HH   TYR  23           HH       TYR  23 -20.688  -1.683  -1.132
  148    H    GLY  24           H        GLY  24 -15.499   1.690  -0.540
  149    HA2  GLY  24           2HA      GLY  24 -12.725   1.397  -1.569
  150    HA3  GLY  24           1HA      GLY  24 -13.176   1.228   0.130
  151    H    ASN  25           H        ASN  25 -11.784  -0.839  -0.763
  152    HA   ASN  25           HA       ASN  25 -13.785  -2.963  -1.281
  153    HB2  ASN  25           2HB      ASN  25 -11.950  -2.307  -3.116
  154    HB3  ASN  25           1HB      ASN  25 -10.943  -3.361  -2.132
  155   HD21  ASN  25          1HD2      ASN  25 -13.870  -3.282  -4.159
  156   HD22  ASN  25          2HD2      ASN  25 -13.998  -4.974  -4.320
  157    HA   PRO  26           HA       PRO  26 -12.053  -4.659   2.487
  158    HB2  PRO  26           2HB      PRO  26 -13.091  -7.168   2.425
  159    HB3  PRO  26           1HB      PRO  26 -14.065  -5.727   2.773
  160    HG2  PRO  26           2HG      PRO  26 -13.827  -7.281   0.247
  161    HG3  PRO  26           1HG      PRO  26 -15.259  -6.548   0.988
  162    HD2  PRO  26           2HD      PRO  26 -13.868  -5.409  -1.100
  163    HD3  PRO  26           1HD      PRO  26 -14.842  -4.481   0.059
  164    H    ARG  27           H        ARG  27 -11.492  -6.193  -0.632
  165    HA   ARG  27           HA       ARG  27  -9.531  -8.083   0.290
  166    HB2  ARG  27           2HB      ARG  27  -9.902  -6.963  -2.504
  167    HB3  ARG  27           1HB      ARG  27  -9.035  -8.436  -2.061
  168    HG2  ARG  27           2HG      ARG  27 -11.054  -9.515  -1.350
  169    HG3  ARG  27           1HG      ARG  27 -11.966  -8.011  -1.442
  170    HD2  ARG  27           2HD      ARG  27 -11.111  -8.110  -3.985
  171    HD3  ARG  27           1HD      ARG  27 -11.090  -9.835  -3.630
  172    HE   ARG  27           HE       ARG  27 -13.412  -8.210  -4.011
  173   HH11  ARG  27          1HH2      ARG  27 -12.221 -10.981  -2.202
  174   HH12  ARG  27          2HH2      ARG  27 -13.799 -11.644  -1.975
  175   HH21  ARG  27          1HH1      ARG  27 -15.434  -9.128  -3.700
  176   HH22  ARG  27          2HH1      ARG  27 -15.601 -10.610  -2.818
  177    H    THR  28           H        THR  28  -9.543  -4.758  -0.790
  178    HA   THR  28           HA       THR  28  -6.637  -4.563  -0.916
  179    HB   THR  28           HB       THR  28  -7.013  -2.222  -1.474
  180    HG1  THR  28           1HG      THR  28  -9.663  -2.756  -0.625
  181   HG21  THR  28          3HG2      THR  28  -8.572  -2.458  -3.414
  182   HG22  THR  28          1HG2      THR  28  -9.054  -4.036  -2.786
  183   HG23  THR  28          2HG2      THR  28  -7.392  -3.768  -3.311
  184    H    ASN  29           H        ASN  29  -6.596  -1.912   0.472
  185    HA   ASN  29           HA       ASN  29  -6.445  -2.938   3.211
  186    HB2  ASN  29           2HB      ASN  29  -5.270  -0.561   1.800
  187    HB3  ASN  29           1HB      ASN  29  -5.353  -0.603   3.565
  188   HD21  ASN  29          1HD2      ASN  29  -3.460  -1.431   4.463
  189   HD22  ASN  29          2HD2      ASN  29  -2.487  -2.636   3.748
  190    H    GLY  30           H        GLY  30  -9.085  -2.297   1.948
  191    HA2  GLY  30           2HA      GLY  30 -11.069  -1.469   2.774
  192    HA3  GLY  30           1HA      GLY  30 -10.176  -0.792   4.134
  193    H    MET  31           H        MET  31  -8.835   0.133   1.099
  194    HA   MET  31           HA       MET  31 -10.221   2.746   1.257
  195    HB2  MET  31           2HB      MET  31  -7.356   2.067   0.585
  196    HB3  MET  31           1HB      MET  31  -8.077   3.649   0.266
  197    HG2  MET  31           2HG      MET  31  -8.711   3.772   2.696
  198    HG3  MET  31           1HG      MET  31  -7.797   2.288   2.959
  199    HE1  MET  31           3HE      MET  31  -4.543   3.544   3.914
  200    HE2  MET  31           1HE      MET  31  -5.485   2.126   3.430
  201    HE3  MET  31           2HE      MET  31  -6.106   3.225   4.658
  202    H    CYS  32           H        CYS  32 -10.109   3.977  -0.827
  203    HA   CYS  32           HA       CYS  32 -11.212   2.352  -2.918
  204    HB2  CYS  32           2HB      CYS  32 -11.793   4.446  -3.977
  205    HB3  CYS  32           1HB      CYS  32 -12.125   4.574  -2.253
  206    H    SER  33           H        SER  33 -10.389   3.707  -5.244
  207    HA   SER  33           HA       SER  33  -7.974   2.286  -5.832
  208    HB2  SER  33           2HB      SER  33 -10.085   3.062  -7.318
  209    HB3  SER  33           1HB      SER  33  -8.937   4.319  -7.764
  210    HG   SER  33           HG       SER  33  -8.661   1.503  -7.957
  211    H    VAL  34           H        VAL  34  -8.717   5.777  -5.601
  212    HA   VAL  34           HA       VAL  34  -6.100   6.627  -6.353
  213    HB   VAL  34           HB       VAL  34  -8.169   8.186  -4.777
  214   HG11  VAL  34          1HG1      VAL  34  -7.038  10.066  -6.172
  215   HG12  VAL  34          2HG1      VAL  34  -5.725   8.908  -6.392
  216   HG13  VAL  34          3HG1      VAL  34  -6.171   9.439  -4.770
  217   HG21  VAL  34          3HG2      VAL  34  -8.799   9.041  -7.083
  218   HG22  VAL  34          1HG2      VAL  34  -9.255   7.368  -6.760
  219   HG23  VAL  34          2HG2      VAL  34  -7.839   7.722  -7.751
  220    H    CYS  35           H        CYS  35  -7.712   6.704  -3.165
  221    HA   CYS  35           HA       CYS  35  -5.518   7.567  -1.670
  222    HB2  CYS  35           2HB      CYS  35  -7.830   5.833  -0.764
  223    HB3  CYS  35           1HB      CYS  35  -6.734   6.721   0.294
  224    H    TYR  36           H        TYR  36  -6.449   4.285  -2.618
  225    HA   TYR  36           HA       TYR  36  -4.681   2.923  -0.859
  226    HB2  TYR  36           2HB      TYR  36  -6.608   1.844  -1.971
  227    HB3  TYR  36           1HB      TYR  36  -5.785   1.981  -3.522
  228    HD1  TYR  36           1HD      TYR  36  -4.579   0.967  -0.097
  229    HD2  TYR  36           2HD      TYR  36  -5.126  -0.146  -4.210
  230    HE1  TYR  36           1HE      TYR  36  -3.431  -1.187   0.333
  231    HE2  TYR  36           2HE      TYR  36  -3.982  -2.304  -3.777
  232    HH   TYR  36           HH       TYR  36  -3.567  -3.616  -0.889
  233    H    LYS  37           H        LYS  37  -4.192   4.412  -4.018
  234    HA   LYS  37           HA       LYS  37  -1.679   3.106  -4.528
  235    HB2  LYS  37           2HB      LYS  37  -3.362   4.234  -6.190
  236    HB3  LYS  37           1HB      LYS  37  -2.486   5.709  -5.783
  237    HG2  LYS  37           2HG      LYS  37  -0.352   4.302  -6.287
  238    HG3  LYS  37           1HG      LYS  37  -1.461   3.217  -7.128
  239    HD2  LYS  37           2HD      LYS  37  -2.116   4.880  -8.668
  240    HD3  LYS  37           1HD      LYS  37  -1.490   6.185  -7.659
  241    HE2  LYS  37           2HE      LYS  37   0.805   5.440  -8.073
  242    HE3  LYS  37           1HE      LYS  37   0.212   4.082  -9.029
  243    HZ1  LYS  37           3HZ      LYS  37  -0.932   5.819 -10.438
  244    HZ2  LYS  37           1HZ      LYS  37   0.758   5.741 -10.570
  245    HZ3  LYS  37           2HZ      LYS  37   0.036   6.970  -9.646
  246    H    GLU  38           H        GLU  38  -2.645   6.366  -3.437
  247    HA   GLU  38           HA       GLU  38  -0.039   7.417  -3.122
  248    HB2  GLU  38           2HB      GLU  38  -2.630   8.107  -1.719
  249    HB3  GLU  38           1HB      GLU  38  -1.149   9.052  -1.582
  250    HG2  GLU  38           2HG      GLU  38  -2.316   8.390  -4.282
  251    HG3  GLU  38           1HG      GLU  38  -2.895   9.779  -3.357
  252    H    HIS  39           H        HIS  39  -2.145   5.598  -0.953
  253    HA   HIS  39           HA       HIS  39  -0.714   5.901   1.441
  254    HB2  HIS  39           2HB      HIS  39  -3.050   4.885   1.008
  255    HB3  HIS  39           1HB      HIS  39  -2.183   3.378   0.716
  256    HD1  HIS  39           1HD      HIS  39  -2.409   6.068   3.414
  257    HD2  HIS  39           2HD      HIS  39  -1.598   2.001   3.016
  258    HE1  HIS  39           1HE      HIS  39  -2.153   5.153   5.762
  259    HE2  HIS  39           2HE      HIS  39  -1.666   2.673   5.537
  260    H    LEU  40           H        LEU  40  -0.503   3.285  -0.988
  261    HA   LEU  40           HA       LEU  40   1.422   1.738   0.340
  262    HB2  LEU  40           2HB      LEU  40   0.233   1.841  -2.336
  263    HB3  LEU  40           1HB      LEU  40   1.908   1.283  -2.368
  264    HG   LEU  40           HG       LEU  40   1.284  -0.314  -0.485
  265   HD11  LEU  40          1HD1      LEU  40  -1.113  -0.814  -0.221
  266   HD12  LEU  40          2HD1      LEU  40  -1.515   0.481  -1.348
  267   HD13  LEU  40          3HD1      LEU  40  -0.778   0.864   0.208
  268   HD21  LEU  40          3HD2      LEU  40   1.377  -0.797  -3.045
  269   HD22  LEU  40          1HD2      LEU  40  -0.384  -0.833  -2.939
  270   HD23  LEU  40          2HD2      LEU  40   0.581  -1.972  -1.997
  271    H    GLN  41           H        GLN  41   1.816   4.658  -1.576
  272    HA   GLN  41           HA       GLN  41   4.538   4.450  -2.231
  273    HB2  GLN  41           2HB      GLN  41   2.760   6.199  -2.945
  274    HB3  GLN  41           1HB      GLN  41   3.237   7.057  -1.483
  275    HG2  GLN  41           2HG      GLN  41   4.674   7.981  -3.074
  276    HG3  GLN  41           1HG      GLN  41   5.674   6.699  -2.383
  277   HE21  GLN  41          1HE2      GLN  41   5.515   7.948  -5.223
  278   HE22  GLN  41          2HE2      GLN  41   5.383   6.590  -6.248
  279    H    ARG  42           H        ARG  42   2.968   5.736   0.697
  280    HA   ARG  42           HA       ARG  42   5.378   6.606   1.956
  281    HB2  ARG  42           2HB      ARG  42   2.933   7.286   2.474
  282    HB3  ARG  42           1HB      ARG  42   2.889   5.828   3.462
  283    HG2  ARG  42           2HG      ARG  42   3.559   7.534   4.966
  284    HG3  ARG  42           1HG      ARG  42   5.063   6.714   4.540
  285    HD2  ARG  42           2HD      ARG  42   5.621   8.431   2.935
  286    HD3  ARG  42           1HD      ARG  42   4.044   9.189   3.123
  287    HE   ARG  42           HE       ARG  42   5.344   9.100   5.643
  288   HH11  ARG  42          1HH2      ARG  42   5.501  10.783   2.559
  289   HH12  ARG  42          2HH2      ARG  42   6.305  12.157   3.232
  290   HH21  ARG  42          1HH1      ARG  42   6.397  10.923   6.455
  291   HH22  ARG  42          2HH1      ARG  42   6.806  12.238   5.404
  292    H    GLN  43           H        GLN  43   3.691   3.531   1.828
  293    HA   GLN  43           HA       GLN  43   4.907   2.290   4.079
  294    HB2  GLN  43           2HB      GLN  43   2.896   1.567   2.464
  295    HB3  GLN  43           1HB      GLN  43   4.183   0.656   1.682
  296    HG2  GLN  43           2HG      GLN  43   3.616  -0.919   3.247
  297    HG3  GLN  43           1HG      GLN  43   4.716   0.016   4.256
  298   HE21  GLN  43          1HE2      GLN  43   3.829   0.797   6.190
  299   HE22  GLN  43          2HE2      GLN  43   2.167   0.922   6.505
  300    H    GLN  44           H        GLN  44   5.821   2.452   0.643
  301    HA   GLN  44           HA       GLN  44   8.164   0.791   1.023
  302    HB2  GLN  44           2HB      GLN  44   6.652   1.014  -1.090
  303    HB3  GLN  44           1HB      GLN  44   7.668   2.409  -1.446
  304    HG2  GLN  44           2HG      GLN  44   9.681   1.009  -1.335
  305    HG3  GLN  44           1HG      GLN  44   8.703  -0.389  -0.896
  306   HE21  GLN  44          1HE2      GLN  44   8.832   2.108  -3.505
  307   HE22  GLN  44          2HE2      GLN  44   8.449   1.016  -4.757
  308    H    ASN  45           H        ASN  45   7.922   3.674   2.296
  309    HA   ASN  45           HA       ASN  45   9.839   5.334   1.081
  310    HB2  ASN  45           2HB      ASN  45   8.497   5.178   3.700
  311    HB3  ASN  45           1HB      ASN  45  10.103   5.894   3.783
  312   HD21  ASN  45          1HD2      ASN  45   7.645   6.112   1.150
  313   HD22  ASN  45          2HD2      ASN  45   7.544   7.814   1.197
  314    H    SER  46           H        SER  46  10.213   2.588   3.251
  315    HA   SER  46           HA       SER  46  13.062   3.023   3.609
  316    HB2  SER  46           2HB      SER  46  11.683   2.012   5.399
  317    HB3  SER  46           1HB      SER  46  11.345   0.642   4.346
  318    HG   SER  46           HG       SER  46  13.377  -0.027   4.542
  319    H    GLY  47           H        GLY  47  11.133   0.311   2.267
  320    HA2  GLY  47           2HA      GLY  47  11.458  -0.678   0.136
  321    HA3  GLY  47           1HA      GLY  47  13.045   0.074   0.048
  322    H    ARG  48           H        ARG  48  14.250  -0.728   2.372
  323    HA   ARG  48           HA       ARG  48  14.854  -3.486   1.786
  324    HB2  ARG  48           2HB      ARG  48  15.892  -1.512   3.822
  325    HB3  ARG  48           1HB      ARG  48  16.435  -3.189   3.769
  326    HG2  ARG  48           2HG      ARG  48  17.198  -2.912   1.467
  327    HG3  ARG  48           1HG      ARG  48  16.556  -1.270   1.425
  328    HD2  ARG  48           2HD      ARG  48  18.520  -1.998   3.573
  329    HD3  ARG  48           1HD      ARG  48  19.117  -1.694   1.944
  330    HE   ARG  48           HE       ARG  48  17.479   0.445   2.468
  331   HH11  ARG  48          1HH2      ARG  48  20.257  -0.961   4.101
  332   HH12  ARG  48          2HH2      ARG  48  20.771   0.556   4.751
  333   HH21  ARG  48          1HH1      ARG  48  18.204   2.385   3.331
  334   HH22  ARG  48          2HH1      ARG  48  19.624   2.430   4.320
  335    H    MET  49           H        MET  49  15.120  -5.032   3.719
  336    HA   MET  49           HA       MET  49  12.522  -5.418   4.892
  337    HB2  MET  49           2HB      MET  49  15.136  -6.901   4.986
  338    HB3  MET  49           1HB      MET  49  13.831  -7.325   6.093
  339    HG2  MET  49           2HG      MET  49  12.311  -7.538   4.094
  340    HG3  MET  49           1HG      MET  49  13.729  -7.332   3.065
  341    HE1  MET  49           3HE      MET  49  13.884  -9.427   1.828
  342    HE2  MET  49           1HE      MET  49  14.865 -10.725   2.520
  343    HE3  MET  49           2HE      MET  49  15.449  -9.064   2.550
  344    H    SER  50           H        SER  50  15.757  -4.578   6.105
  345    HA   SER  50           HA       SER  50  14.501  -3.567   8.587
  346    HB2  SER  50           2HB      SER  50  16.652  -4.340   9.731
  347    HB3  SER  50           1HB      SER  50  15.506  -5.597   9.279
  348    HG   SER  50           HG       SER  50  16.765  -6.126   7.559
  349    HA   PRO  51           HA       PRO  51  16.945   0.028   7.702
  350    HB2  PRO  51           2HB      PRO  51  17.037   1.246  10.116
  351    HB3  PRO  51           1HB      PRO  51  15.531   1.096   9.190
  352    HG2  PRO  51           2HG      PRO  51  16.474  -0.467  11.534
  353    HG3  PRO  51           1HG      PRO  51  14.842   0.083  11.122
  354    HD2  PRO  51           2HD      PRO  51  15.799  -2.496  10.692
  355    HD3  PRO  51           1HD      PRO  51  14.408  -1.776   9.855
  356    H    MET  52           H        MET  52  18.790   1.409   9.077
  357    HA   MET  52           HA       MET  52  20.849  -0.461  10.041
  358    HB2  MET  52           2HB      MET  52  21.052   0.003   7.521
  359    HB3  MET  52           1HB      MET  52  21.503   1.643   7.985
  360    HG2  MET  52           2HG      MET  52  23.343   0.763   9.359
  361    HG3  MET  52           1HG      MET  52  22.890  -0.885   8.922
  362    HE1  MET  52           3HE      MET  52  25.506  -1.437   6.605
  363    HE2  MET  52           1HE      MET  52  23.849  -2.036   6.443
  364    HE3  MET  52           2HE      MET  52  24.559  -1.817   8.041
  365    H    GLY  53           H        GLY  53  20.280   2.984   9.249
  366    HA2  GLY  53           2HA      GLY  53  20.072   4.380  11.401
  367    HA3  GLY  53           1HA      GLY  53  21.678   3.742  11.742
  368    H    THR  54           H        THR  54  23.124   3.934   9.575
  369    HA   THR  54           HA       THR  54  22.740   6.559   8.319
  370    HB   THR  54           HB       THR  54  25.392   5.866   9.569
  371    HG1  THR  54           1HG      THR  54  24.258   6.068  11.360
  372   HG21  THR  54          3HG2      THR  54  25.577   7.592   7.952
  373   HG22  THR  54          1HG2      THR  54  25.494   8.433   9.500
  374   HG23  THR  54          2HG2      THR  54  24.066   8.344   8.467
  375    H    ALA  55           H        ALA  55  24.204   6.897   6.480
  376    HA   ALA  55           HA       ALA  55  24.574   4.440   4.987
  377    HB1  ALA  55           1HB      ALA  55  25.004   5.850   3.103
  378    HB2  ALA  55           2HB      ALA  55  25.320   7.243   4.137
  379    HB3  ALA  55           3HB      ALA  55  23.684   6.598   4.001
  380    H    SER  56           H        SER  56  26.350   3.250   5.258
  381    HA   SER  56           HA       SER  56  28.942   4.627   5.680
  382    HB2  SER  56           2HB      SER  56  29.648   2.545   6.857
  383    HB3  SER  56           1HB      SER  56  28.328   3.383   7.669
  384    HG   SER  56           HG       SER  56  28.175   0.991   7.265
  385    H    GLY  57           H        GLY  57  30.763   2.846   5.154
  386    HA2  GLY  57           2HA      GLY  57  31.602   1.249   3.624
  387    HA3  GLY  57           1HA      GLY  57  30.118   1.394   2.688
  388    H    SER  58           H        SER  58  32.711   3.601   3.799
  389    HA   SER  58           HA       SER  58  33.248   4.363   1.026
  390    HB2  SER  58           2HB      SER  58  31.451   5.896   1.932
  391    HB3  SER  58           1HB      SER  58  32.630   6.465   3.111
  392    HG   SER  58           HG       SER  58  32.395   7.604   0.972
  393    H    ASN  59           H        ASN  59  34.730   2.903   3.078
  394    HA   ASN  59           HA       ASN  59  36.920   4.772   3.726
  395    HB2  ASN  59           2HB      ASN  59  35.820   3.258   5.496
  396    HB3  ASN  59           1HB      ASN  59  36.670   1.933   4.704
  397   HD21  ASN  59          1HD2      ASN  59  37.300   5.168   6.166
  398   HD22  ASN  59          2HD2      ASN  59  38.864   4.780   6.701
  399    H    SER  60           H        SER  60  39.089   4.212   3.223
  400    HA   SER  60           HA       SER  60  39.399   2.152   1.114
  401    HB2  SER  60           2HB      SER  60  40.954   4.735   1.164
  402    HB3  SER  60           1HB      SER  60  40.777   3.588  -0.161
  403    HG   SER  60           HG       SER  60  39.402   5.306  -0.528
  404    HA   PRO  61           HA       PRO  61  42.526   1.283   4.373
  405    HB2  PRO  61           2HB      PRO  61  42.318  -1.410   4.389
  406    HB3  PRO  61           1HB      PRO  61  41.140  -0.373   5.220
  407    HG2  PRO  61           2HG      PRO  61  40.912  -1.790   2.616
  408    HG3  PRO  61           1HG      PRO  61  39.691  -1.526   3.871
  409    HD2  PRO  61           2HD      PRO  61  39.911  -0.026   1.534
  410    HD3  PRO  61           1HD      PRO  61  39.068   0.502   3.005
  411    H    THR  62           H        THR  62  44.591   1.451   3.694
  412    HA   THR  62           HA       THR  62  45.704  -0.528   1.874
  413    HB   THR  62           HB       THR  62  46.085   2.375   1.170
  414    HG1  THR  62           1HG      THR  62  43.939   2.092   0.873
  415   HG21  THR  62          3HG2      THR  62  46.596   1.291  -1.056
  416   HG22  THR  62          1HG2      THR  62  46.474  -0.271  -0.246
  417   HG23  THR  62          2HG2      THR  62  47.722   0.878   0.237
  Start of MODEL    3
    1    H1   GLY   1           1HT      GLY   1 -41.639   2.759   5.214
    2    H2   GLY   1           2HT      GLY   1 -42.937   2.464   4.158
    3    H3   GLY   1           3HT      GLY   1 -43.220   2.662   5.821
    4    HA2  GLY   1           2HA      GLY   1 -42.457   4.704   3.824
    5    HA3  GLY   1           1HA      GLY   1 -43.851   4.697   4.905
    6    H    SER   2           H        SER   2 -40.305   4.876   4.845
    7    HA   SER   2           HA       SER   2 -40.188   5.852   7.582
    8    HB2  SER   2           2HB      SER   2 -38.024   5.511   5.496
    9    HB3  SER   2           1HB      SER   2 -37.753   5.958   7.177
   10    HG   SER   2           HG       SER   2 -37.694   3.870   7.454
   11    H    MET   3           H        MET   3 -39.857   7.118   4.295
   12    HA   MET   3           HA       MET   3 -40.021   9.853   5.392
   13    HB2  MET   3           2HB      MET   3 -37.996   8.804   3.417
   14    HB3  MET   3           1HB      MET   3 -38.390  10.520   3.540
   15    HG2  MET   3           2HG      MET   3 -37.648  10.634   5.800
   16    HG3  MET   3           1HG      MET   3 -37.592   8.878   5.946
   17    HE1  MET   3           3HE      MET   3 -34.588  11.752   4.127
   18    HE2  MET   3           1HE      MET   3 -35.446  11.907   5.667
   19    HE3  MET   3           2HE      MET   3 -36.338  11.961   4.150
   20    H    ALA   4           H        ALA   4 -39.969   8.002   2.328
   21    HA   ALA   4           HA       ALA   4 -42.407   9.451   1.494
   22    HB1  ALA   4           1HB      ALA   4 -40.031   8.860  -0.287
   23    HB2  ALA   4           2HB      ALA   4 -40.437  10.448   0.365
   24    HB3  ALA   4           3HB      ALA   4 -41.528   9.657  -0.771
   25    H    GLN   5           H        GLN   5 -40.232   6.857   0.323
   26    HA   GLN   5           HA       GLN   5 -42.564   5.043   0.195
   27    HB2  GLN   5           2HB      GLN   5 -41.923   6.055  -2.067
   28    HB3  GLN   5           1HB      GLN   5 -40.433   5.120  -1.940
   29    HG2  GLN   5           2HG      GLN   5 -41.834   3.061  -1.601
   30    HG3  GLN   5           1HG      GLN   5 -43.264   4.038  -1.937
   31   HE21  GLN   5          1HE2      GLN   5 -40.170   2.961  -3.400
   32   HE22  GLN   5          2HE2      GLN   5 -40.712   3.104  -5.012
   33    H    GLU   6           H        GLU   6 -39.012   5.139  -0.247
   34    HA   GLU   6           HA       GLU   6 -38.786   2.838   1.593
   35    HB2  GLU   6           2HB      GLU   6 -37.655   3.098  -1.185
   36    HB3  GLU   6           1HB      GLU   6 -36.879   2.073   0.024
   37    HG2  GLU   6           2HG      GLU   6 -39.185   1.021   0.394
   38    HG3  GLU   6           1HG      GLU   6 -39.679   1.840  -1.088
   39    H    THR   7           H        THR   7 -36.253   2.489   1.963
   40    HA   THR   7           HA       THR   7 -35.297   5.041   3.013
   41    HB   THR   7           HB       THR   7 -33.424   3.375   3.878
   42    HG1  THR   7           1HG      THR   7 -33.882   1.497   3.000
   43   HG21  THR   7          3HG2      THR   7 -34.600   3.244   5.885
   44   HG22  THR   7          1HG2      THR   7 -36.144   2.965   5.079
   45   HG23  THR   7          2HG2      THR   7 -35.429   4.578   5.082
   46    H    ASN   8           H        ASN   8 -33.103   5.767   2.685
   47    HA   ASN   8           HA       ASN   8 -32.107   5.136  -0.026
   48    HB2  ASN   8           2HB      ASN   8 -31.820   7.584   1.724
   49    HB3  ASN   8           1HB      ASN   8 -30.930   7.359   0.220
   50   HD21  ASN   8          1HD2      ASN   8 -33.523   8.986   1.314
   51   HD22  ASN   8          2HD2      ASN   8 -34.541   8.911  -0.053
   52    H    GLN   9           H        GLN   9 -31.480   3.564   2.446
   53    HA   GLN   9           HA       GLN   9 -28.583   4.101   2.704
   54    HB2  GLN   9           2HB      GLN   9 -30.438   2.442   4.428
   55    HB3  GLN   9           1HB      GLN   9 -28.705   2.634   4.696
   56    HG2  GLN   9           2HG      GLN   9 -29.053   5.107   4.846
   57    HG3  GLN   9           1HG      GLN   9 -30.792   4.829   4.732
   58   HE21  GLN   9          1HE2      GLN   9 -31.614   5.127   6.814
   59   HE22  GLN   9          2HE2      GLN   9 -30.950   4.434   8.224
   60    H    THR  10           H        THR  10 -27.372   1.922   3.216
   61    HA   THR  10           HA       THR  10 -28.297  -0.305   1.580
   62    HB   THR  10           HB       THR  10 -27.148   1.083  -0.069
   63    HG1  THR  10           1HG      THR  10 -26.185  -0.610  -0.833
   64   HG21  THR  10          3HG2      THR  10 -25.715   2.385   1.439
   65   HG22  THR  10          1HG2      THR  10 -24.737   1.602   0.197
   66   HG23  THR  10          2HG2      THR  10 -24.787   0.937   1.829
   67    HA   PRO  11           HA       PRO  11 -26.029  -2.356   4.827
   68    HB2  PRO  11           2HB      PRO  11 -26.117  -4.915   3.969
   69    HB3  PRO  11           1HB      PRO  11 -27.576  -4.053   4.499
   70    HG2  PRO  11           2HG      PRO  11 -26.644  -4.688   1.757
   71    HG3  PRO  11           1HG      PRO  11 -28.288  -4.622   2.407
   72    HD2  PRO  11           2HD      PRO  11 -27.051  -2.598   0.906
   73    HD3  PRO  11           1HD      PRO  11 -28.510  -2.404   1.900
   74    H    GLY  12           H        GLY  12 -23.890  -2.430   5.240
   75    HA2  GLY  12           2HA      GLY  12 -21.665  -3.071   5.024
   76    HA3  GLY  12           1HA      GLY  12 -22.049  -3.788   3.461
   77    HA   PRO  13           HA       PRO  13 -21.383   0.664   2.074
   78    HB2  PRO  13           2HB      PRO  13 -21.516   2.786   3.777
   79    HB3  PRO  13           1HB      PRO  13 -22.952   2.080   3.005
   80    HG2  PRO  13           2HG      PRO  13 -21.943   1.760   5.781
   81    HG3  PRO  13           1HG      PRO  13 -23.609   1.849   5.181
   82    HD2  PRO  13           2HD      PRO  13 -22.316  -0.510   5.877
   83    HD3  PRO  13           1HD      PRO  13 -23.718  -0.405   4.786
   84    H    MET  14           H        MET  14 -19.293  -0.620   2.298
   85    HA   MET  14           HA       MET  14 -17.339   0.132   4.242
   86    HB2  MET  14           2HB      MET  14 -17.132  -1.294   1.578
   87    HB3  MET  14           1HB      MET  14 -15.758  -1.055   2.662
   88    HG2  MET  14           2HG      MET  14 -17.235  -2.144   4.475
   89    HG3  MET  14           1HG      MET  14 -18.263  -2.671   3.140
   90    HE1  MET  14           3HE      MET  14 -17.012  -4.122   5.275
   91    HE2  MET  14           1HE      MET  14 -15.257  -4.335   5.236
   92    HE3  MET  14           2HE      MET  14 -16.315  -5.592   4.601
   93    H    LEU  15           H        LEU  15 -17.695   2.510   3.965
   94    HA   LEU  15           HA       LEU  15 -16.755   3.824   1.592
   95    HB2  LEU  15           2HB      LEU  15 -17.883   4.598   4.205
   96    HB3  LEU  15           1HB      LEU  15 -16.708   5.744   3.577
   97    HG   LEU  15           HG       LEU  15 -19.030   6.284   2.864
   98   HD11  LEU  15          1HD1      LEU  15 -16.810   6.546   1.423
   99   HD12  LEU  15          2HD1      LEU  15 -18.387   6.982   0.771
  100   HD13  LEU  15          3HD1      LEU  15 -17.659   5.432   0.352
  101   HD21  LEU  15          3HD2      LEU  15 -18.855   3.596   1.468
  102   HD22  LEU  15          1HD2      LEU  15 -20.067   4.821   1.095
  103   HD23  LEU  15          2HD2      LEU  15 -20.026   4.083   2.695
  104    H    CYS  16           H        CYS  16 -14.826   4.928   1.248
  105    HA   CYS  16           HA       CYS  16 -12.435   3.812   1.958
  106    HB2  CYS  16           2HB      CYS  16 -12.926   5.641   0.224
  107    HB3  CYS  16           1HB      CYS  16 -12.659   6.785   1.547
  108    H    SER  17           H        SER  17 -10.957   3.925   3.542
  109    HA   SER  17           HA       SER  17 -11.714   4.869   6.128
  110    HB2  SER  17           2HB      SER  17  -9.063   3.863   5.082
  111    HB3  SER  17           1HB      SER  17  -9.416   4.173   6.784
  112    HG   SER  17           HG       SER  17 -10.174   2.095   5.156
  113    H    THR  18           H        THR  18  -9.924   6.327   3.499
  114    HA   THR  18           HA       THR  18  -8.629   8.312   5.144
  115    HB   THR  18           HB       THR  18  -7.936   9.292   2.979
  116    HG1  THR  18           1HG      THR  18  -9.213   8.876   1.379
  117   HG21  THR  18          3HG2      THR  18  -7.618   6.283   2.988
  118   HG22  THR  18          1HG2      THR  18  -6.746   7.351   4.088
  119   HG23  THR  18          2HG2      THR  18  -6.491   7.478   2.347
  120    H    GLY  19           H        GLY  19 -11.763   8.025   3.693
  121    HA2  GLY  19           2HA      GLY  19 -13.565   9.449   4.043
  122    HA3  GLY  19           1HA      GLY  19 -12.457  10.666   4.672
  123    H    CYS  20           H        CYS  20 -12.008   9.092   1.545
  124    HA   CYS  20           HA       CYS  20 -11.949  11.646   0.227
  125    HB2  CYS  20           2HB      CYS  20 -11.551  10.366  -1.838
  126    HB3  CYS  20           1HB      CYS  20 -10.487   9.832  -0.535
  127    H    GLY  21           H        GLY  21 -14.461   9.373   0.942
  128    HA2  GLY  21           2HA      GLY  21 -16.749   9.916   0.765
  129    HA3  GLY  21           1HA      GLY  21 -16.371  11.016  -0.552
  130    H    PHE  22           H        PHE  22 -14.809   8.000  -0.956
  131    HA   PHE  22           HA       PHE  22 -16.915   7.103  -2.823
  132    HB2  PHE  22           2HB      PHE  22 -13.905   6.895  -3.004
  133    HB3  PHE  22           1HB      PHE  22 -15.015   6.037  -4.076
  134    HD1  PHE  22           1HD      PHE  22 -16.795   7.462  -5.312
  135    HD2  PHE  22           2HD      PHE  22 -13.268   9.094  -3.493
  136    HE1  PHE  22           1HE      PHE  22 -17.008   9.490  -6.725
  137    HE2  PHE  22           2HE      PHE  22 -13.480  11.126  -4.900
  138    HZ   PHE  22           HZ       PHE  22 -15.349  11.324  -6.519
  139    H    TYR  23           H        TYR  23 -16.852   4.744  -3.295
  140    HA   TYR  23           HA       TYR  23 -17.030   3.212  -0.898
  141    HB2  TYR  23           2HB      TYR  23 -18.262   2.874  -3.154
  142    HB3  TYR  23           1HB      TYR  23 -16.804   2.010  -3.652
  143    HD1  TYR  23           2HD      TYR  23 -19.203   2.189  -0.770
  144    HD2  TYR  23           1HD      TYR  23 -16.660  -0.277  -3.199
  145    HE1  TYR  23           2HE      TYR  23 -19.978   0.180   0.462
  146    HE2  TYR  23           1HE      TYR  23 -17.438  -2.287  -1.973
  147    HH   TYR  23           HH       TYR  23 -20.095  -2.486  -0.268
  148    H    GLY  24           H        GLY  24 -15.702   1.582  -0.106
  149    HA2  GLY  24           2HA      GLY  24 -12.914   1.594  -1.128
  150    HA3  GLY  24           1HA      GLY  24 -13.371   1.302   0.552
  151    H    ASN  25           H        ASN  25 -11.724  -0.476  -0.828
  152    HA   ASN  25           HA       ASN  25 -13.498  -2.793  -1.338
  153    HB2  ASN  25           2HB      ASN  25 -11.692  -1.850  -3.077
  154    HB3  ASN  25           1HB      ASN  25 -10.619  -2.872  -2.130
  155   HD21  ASN  25          1HD2      ASN  25 -10.411  -4.354  -3.992
  156   HD22  ASN  25          2HD2      ASN  25 -11.677  -5.432  -4.378
  157    HA   PRO  26           HA       PRO  26 -11.657  -4.249   2.512
  158    HB2  PRO  26           2HB      PRO  26 -12.827  -6.708   2.633
  159    HB3  PRO  26           1HB      PRO  26 -13.661  -5.195   3.035
  160    HG2  PRO  26           2HG      PRO  26 -13.804  -6.833   0.562
  161    HG3  PRO  26           1HG      PRO  26 -15.089  -5.962   1.413
  162    HD2  PRO  26           2HD      PRO  26 -13.840  -5.019  -0.856
  163    HD3  PRO  26           1HD      PRO  26 -14.617  -3.973   0.351
  164    H    ARG  27           H        ARG  27 -11.238  -5.739  -0.606
  165    HA   ARG  27           HA       ARG  27  -9.372  -7.768   0.262
  166    HB2  ARG  27           2HB      ARG  27 -10.277  -6.696  -2.399
  167    HB3  ARG  27           1HB      ARG  27  -8.823  -7.691  -2.297
  168    HG2  ARG  27           2HG      ARG  27 -10.008  -9.568  -1.518
  169    HG3  ARG  27           1HG      ARG  27 -11.387  -8.596  -1.000
  170    HD2  ARG  27           2HD      ARG  27 -12.114  -8.236  -3.228
  171    HD3  ARG  27           1HD      ARG  27 -10.576  -8.770  -3.899
  172    HE   ARG  27           HE       ARG  27 -11.909 -10.839  -2.402
  173   HH11  ARG  27          1HH2      ARG  27 -11.744  -9.251  -5.537
  174   HH12  ARG  27          2HH2      ARG  27 -12.365 -10.623  -6.382
  175   HH21  ARG  27          1HH1      ARG  27 -12.721 -12.590  -3.556
  176   HH22  ARG  27          2HH1      ARG  27 -12.917 -12.492  -5.274
  177    H    THR  28           H        THR  28  -9.290  -4.461  -0.926
  178    HA   THR  28           HA       THR  28  -6.417  -4.329  -1.214
  179    HB   THR  28           HB       THR  28  -6.766  -1.945  -1.570
  180    HG1  THR  28           1HG      THR  28  -9.363  -2.463  -0.554
  181   HG21  THR  28          3HG2      THR  28  -8.696  -2.049  -3.270
  182   HG22  THR  28          1HG2      THR  28  -8.837  -3.747  -2.820
  183   HG23  THR  28          2HG2      THR  28  -7.337  -3.143  -3.519
  184    H    ASN  29           H        ASN  29  -6.068  -1.793   0.301
  185    HA   ASN  29           HA       ASN  29  -5.703  -2.977   2.945
  186    HB2  ASN  29           2HB      ASN  29  -4.290  -1.074   1.327
  187    HB3  ASN  29           1HB      ASN  29  -4.735  -0.276   2.834
  188   HD21  ASN  29          1HD2      ASN  29  -2.866  -2.962   1.456
  189   HD22  ASN  29          2HD2      ASN  29  -1.968  -3.289   2.866
  190    H    GLY  30           H        GLY  30  -8.446  -2.140   1.990
  191    HA2  GLY  30           2HA      GLY  30 -10.282  -1.382   3.179
  192    HA3  GLY  30           1HA      GLY  30  -9.191  -0.628   4.341
  193    H    MET  31           H        MET  31  -8.333   0.146   1.127
  194    HA   MET  31           HA       MET  31  -9.768   2.724   1.282
  195    HB2  MET  31           2HB      MET  31  -6.914   2.052   0.631
  196    HB3  MET  31           1HB      MET  31  -7.665   3.479  -0.094
  197    HG2  MET  31           2HG      MET  31  -6.671   4.262   1.904
  198    HG3  MET  31           1HG      MET  31  -8.381   4.113   2.290
  199    HE1  MET  31           3HE      MET  31  -5.681   4.367   3.678
  200    HE2  MET  31           1HE      MET  31  -4.761   2.867   3.858
  201    HE3  MET  31           2HE      MET  31  -5.805   3.424   5.162
  202    H    CYS  32           H        CYS  32 -10.030   3.776  -0.827
  203    HA   CYS  32           HA       CYS  32 -11.137   1.981  -2.742
  204    HB2  CYS  32           2HB      CYS  32 -11.837   3.979  -3.931
  205    HB3  CYS  32           1HB      CYS  32 -12.108   4.215  -2.209
  206    H    SER  33           H        SER  33 -10.368   3.376  -5.191
  207    HA   SER  33           HA       SER  33  -7.974   1.892  -5.743
  208    HB2  SER  33           2HB      SER  33 -10.120   2.818  -7.231
  209    HB3  SER  33           1HB      SER  33  -8.775   3.787  -7.817
  210    HG   SER  33           HG       SER  33  -9.329   1.180  -8.222
  211    H    VAL  34           H        VAL  34  -8.711   5.406  -5.823
  212    HA   VAL  34           HA       VAL  34  -6.070   6.197  -6.486
  213    HB   VAL  34           HB       VAL  34  -8.080   7.909  -5.002
  214   HG11  VAL  34          1HG1      VAL  34  -5.995   9.035  -5.179
  215   HG12  VAL  34          2HG1      VAL  34  -6.944   9.648  -6.535
  216   HG13  VAL  34          3HG1      VAL  34  -5.709   8.420  -6.808
  217   HG21  VAL  34          3HG2      VAL  34  -7.892   7.245  -7.959
  218   HG22  VAL  34          1HG2      VAL  34  -8.779   8.632  -7.328
  219   HG23  VAL  34          2HG2      VAL  34  -9.278   6.998  -6.897
  220    H    CYS  35           H        CYS  35  -7.759   6.364  -3.338
  221    HA   CYS  35           HA       CYS  35  -5.620   7.319  -1.822
  222    HB2  CYS  35           2HB      CYS  35  -7.896   5.538  -0.938
  223    HB3  CYS  35           1HB      CYS  35  -6.830   6.436   0.140
  224    H    TYR  36           H        TYR  36  -6.419   3.966  -2.673
  225    HA   TYR  36           HA       TYR  36  -4.742   2.632  -0.875
  226    HB2  TYR  36           2HB      TYR  36  -6.378   1.406  -2.178
  227    HB3  TYR  36           1HB      TYR  36  -5.572   1.845  -3.682
  228    HD1  TYR  36           2HD      TYR  36  -4.216   0.558  -0.405
  229    HD2  TYR  36           1HD      TYR  36  -4.683  -0.111  -4.623
  230    HE1  TYR  36           2HE      TYR  36  -2.786  -1.457  -0.240
  231    HE2  TYR  36           1HE      TYR  36  -3.254  -2.130  -4.456
  232    HH   TYR  36           HH       TYR  36  -2.589  -3.694  -1.712
  233    H    LYS  37           H        LYS  37  -3.970   3.994  -4.063
  234    HA   LYS  37           HA       LYS  37  -1.268   3.017  -4.074
  235    HB2  LYS  37           2HB      LYS  37  -2.724   3.678  -6.099
  236    HB3  LYS  37           1HB      LYS  37  -2.278   5.336  -5.705
  237    HG2  LYS  37           2HG      LYS  37   0.145   4.581  -5.747
  238    HG3  LYS  37           1HG      LYS  37  -0.425   3.053  -6.418
  239    HD2  LYS  37           2HD      LYS  37   0.147   4.390  -8.305
  240    HD3  LYS  37           1HD      LYS  37  -1.613   4.450  -8.205
  241    HE2  LYS  37           2HE      LYS  37  -1.571   6.621  -7.189
  242    HE3  LYS  37           1HE      LYS  37   0.172   6.537  -6.935
  243    HZ1  LYS  37           3HZ      LYS  37  -1.170   6.562  -9.583
  244    HZ2  LYS  37           1HZ      LYS  37   0.503   6.539  -9.312
  245    HZ3  LYS  37           2HZ      LYS  37  -0.411   7.899  -8.859
  246    H    GLU  38           H        GLU  38  -2.823   6.146  -3.458
  247    HA   GLU  38           HA       GLU  38  -0.579   7.729  -3.060
  248    HB2  GLU  38           2HB      GLU  38  -3.309   7.858  -1.773
  249    HB3  GLU  38           1HB      GLU  38  -2.089   9.120  -1.595
  250    HG2  GLU  38           2HG      GLU  38  -2.926   8.119  -4.317
  251    HG3  GLU  38           1HG      GLU  38  -3.810   9.410  -3.497
  252    H    HIS  39           H        HIS  39  -2.198   5.606  -0.683
  253    HA   HIS  39           HA       HIS  39  -0.332   6.480   1.378
  254    HB2  HIS  39           2HB      HIS  39  -1.604   5.320   2.959
  255    HB3  HIS  39           1HB      HIS  39  -2.795   5.928   1.817
  256    HD1  HIS  39           1HD      HIS  39  -4.565   4.217   1.520
  257    HD2  HIS  39           2HD      HIS  39  -0.817   2.431   1.893
  258    HE1  HIS  39           1HE      HIS  39  -4.939   1.718   1.372
  259    HE2  HIS  39           2HE      HIS  39  -2.665   0.616   1.595
  260    H    LEU  40           H        LEU  40  -0.711   3.738  -0.770
  261    HA   LEU  40           HA       LEU  40   1.082   1.951   0.487
  262    HB2  LEU  40           2HB      LEU  40  -0.501   1.381  -1.386
  263    HB3  LEU  40           1HB      LEU  40   0.607   2.196  -2.495
  264    HG   LEU  40           HG       LEU  40   2.414   0.626  -1.427
  265   HD11  LEU  40          1HD1      LEU  40  -0.197  -0.703  -0.669
  266   HD12  LEU  40          2HD1      LEU  40   1.161  -0.306   0.385
  267   HD13  LEU  40          3HD1      LEU  40   1.316  -1.598  -0.806
  268   HD21  LEU  40          3HD2      LEU  40   1.616  -1.251  -3.012
  269   HD22  LEU  40          1HD2      LEU  40   1.894   0.338  -3.724
  270   HD23  LEU  40          2HD2      LEU  40   0.250  -0.196  -3.371
  271    H    GLN  41           H        GLN  41   1.641   4.802  -1.476
  272    HA   GLN  41           HA       GLN  41   4.345   4.240  -2.192
  273    HB2  GLN  41           2HB      GLN  41   2.534   6.608  -2.245
  274    HB3  GLN  41           1HB      GLN  41   4.262   6.927  -2.280
  275    HG2  GLN  41           2HG      GLN  41   4.280   5.053  -4.131
  276    HG3  GLN  41           1HG      GLN  41   2.571   5.463  -4.280
  277   HE21  GLN  41          1HE2      GLN  41   5.666   7.310  -3.914
  278   HE22  GLN  41          2HE2      GLN  41   5.288   8.446  -5.133
  279    H    ARG  42           H        ARG  42   2.797   5.890   0.537
  280    HA   ARG  42           HA       ARG  42   5.236   6.814   1.728
  281    HB2  ARG  42           2HB      ARG  42   2.472   6.394   2.888
  282    HB3  ARG  42           1HB      ARG  42   3.807   7.162   3.747
  283    HG2  ARG  42           2HG      ARG  42   3.957   8.893   2.012
  284    HG3  ARG  42           1HG      ARG  42   2.662   8.112   1.105
  285    HD2  ARG  42           2HD      ARG  42   1.026   8.795   2.577
  286    HD3  ARG  42           1HD      ARG  42   2.120   8.809   3.958
  287    HE   ARG  42           HE       ARG  42   1.538  11.012   2.227
  288   HH11  ARG  42          1HH2      ARG  42   4.120   9.587   4.145
  289   HH12  ARG  42          2HH2      ARG  42   4.909  11.104   4.397
  290   HH21  ARG  42          1HH1      ARG  42   2.620  12.954   2.592
  291   HH22  ARG  42          2HH1      ARG  42   4.082  12.980   3.521
  292    H    GLN  43           H        GLN  43   3.373   3.839   1.900
  293    HA   GLN  43           HA       GLN  43   4.651   2.793   4.242
  294    HB2  GLN  43           2HB      GLN  43   2.937   1.619   2.066
  295    HB3  GLN  43           1HB      GLN  43   3.706   0.584   3.270
  296    HG2  GLN  43           2HG      GLN  43   2.675   2.320   4.975
  297    HG3  GLN  43           1HG      GLN  43   1.576   2.665   3.642
  298   HE21  GLN  43          1HE2      GLN  43   0.514   0.603   2.648
  299   HE22  GLN  43          2HE2      GLN  43   0.091  -0.629   3.737
  300    H    GLN  44           H        GLN  44   5.281   2.643   0.770
  301    HA   GLN  44           HA       GLN  44   7.308   0.612   0.976
  302    HB2  GLN  44           2HB      GLN  44   5.850   1.303  -1.085
  303    HB3  GLN  44           1HB      GLN  44   7.101   2.524  -1.330
  304    HG2  GLN  44           2HG      GLN  44   8.815   0.861  -1.519
  305    HG3  GLN  44           1HG      GLN  44   7.734  -0.409  -0.946
  306   HE21  GLN  44          1HE2      GLN  44   8.376   1.758  -3.704
  307   HE22  GLN  44          2HE2      GLN  44   7.510   0.826  -4.843
  308    H    ASN  45           H        ASN  45   7.228   4.136   0.960
  309    HA   ASN  45           HA       ASN  45  10.001   4.580   0.577
  310    HB2  ASN  45           2HB      ASN  45   7.714   6.208   1.610
  311    HB3  ASN  45           1HB      ASN  45   9.356   6.807   1.832
  312   HD21  ASN  45          1HD2      ASN  45  10.383   7.748   0.019
  313   HD22  ASN  45          2HD2      ASN  45   9.713   7.753  -1.549
  314    H    SER  46           H        SER  46   8.279   3.420   3.352
  315    HA   SER  46           HA       SER  46  10.003   4.415   5.384
  316    HB2  SER  46           2HB      SER  46   8.531   1.802   5.594
  317    HB3  SER  46           1HB      SER  46   8.879   2.979   6.856
  318    HG   SER  46           HG       SER  46   7.121   3.995   6.331
  319    H    GLY  47           H        GLY  47  10.107   1.572   3.296
  320    HA2  GLY  47           2HA      GLY  47  11.815   0.099   2.827
  321    HA3  GLY  47           1HA      GLY  47  12.906   1.209   3.651
  322    H    ARG  48           H        ARG  48  10.211  -0.980   4.539
  323    HA   ARG  48           HA       ARG  48  11.519  -1.615   7.067
  324    HB2  ARG  48           2HB      ARG  48   8.841  -2.226   5.848
  325    HB3  ARG  48           1HB      ARG  48   9.408  -3.128   7.254
  326    HG2  ARG  48           2HG      ARG  48   9.807  -0.944   8.423
  327    HG3  ARG  48           1HG      ARG  48   9.069  -0.123   7.048
  328    HD2  ARG  48           2HD      ARG  48   7.668  -2.308   8.598
  329    HD3  ARG  48           1HD      ARG  48   7.507  -0.602   8.998
  330    HE   ARG  48           HE       ARG  48   6.947  -0.866   6.268
  331   HH11  ARG  48          1HH2      ARG  48   5.566  -1.957   9.314
  332   HH12  ARG  48          2HH2      ARG  48   3.956  -1.993   8.687
  333   HH21  ARG  48          1HH1      ARG  48   4.836  -0.926   5.519
  334   HH22  ARG  48          2HH1      ARG  48   3.545  -1.416   6.564
  335    H    MET  49           H        MET  49  10.628  -3.253   4.042
  336    HA   MET  49           HA       MET  49  12.227  -5.597   4.900
  337    HB2  MET  49           2HB      MET  49   9.659  -5.728   4.260
  338    HB3  MET  49           1HB      MET  49  10.292  -5.721   2.615
  339    HG2  MET  49           2HG      MET  49  11.798  -7.626   3.249
  340    HG3  MET  49           1HG      MET  49  10.993  -7.683   4.817
  341    HE1  MET  49           3HE      MET  49  11.236 -10.001   3.698
  342    HE2  MET  49           1HE      MET  49   9.908 -10.786   2.834
  343    HE3  MET  49           2HE      MET  49   9.710 -10.319   4.520
  344    H    SER  50           H        SER  50  13.380  -3.185   3.808
  345    HA   SER  50           HA       SER  50  14.754  -4.359   1.510
  346    HB2  SER  50           2HB      SER  50  14.540  -2.114   0.310
  347    HB3  SER  50           1HB      SER  50  13.101  -3.130   0.332
  348    HG   SER  50           HG       SER  50  13.673  -0.764   1.717
  349    HA   PRO  51           HA       PRO  51  18.175  -2.317   3.468
  350    HB2  PRO  51           2HB      PRO  51  19.945  -2.016   1.432
  351    HB3  PRO  51           1HB      PRO  51  19.528  -3.607   2.101
  352    HG2  PRO  51           2HG      PRO  51  18.591  -2.300  -0.399
  353    HG3  PRO  51           1HG      PRO  51  18.986  -3.997  -0.089
  354    HD2  PRO  51           2HD      PRO  51  16.407  -2.989  -0.157
  355    HD3  PRO  51           1HD      PRO  51  16.880  -4.475   0.691
  356    H    MET  52           H        MET  52  19.155  -0.287   3.825
  357    HA   MET  52           HA       MET  52  18.520   1.908   1.984
  358    HB2  MET  52           2HB      MET  52  17.731   3.323   3.879
  359    HB3  MET  52           1HB      MET  52  16.654   1.973   3.529
  360    HG2  MET  52           2HG      MET  52  18.823   1.577   5.565
  361    HG3  MET  52           1HG      MET  52  17.406   2.518   6.027
  362    HE1  MET  52           3HE      MET  52  16.844   0.146   7.991
  363    HE2  MET  52           1HE      MET  52  18.485   0.273   7.340
  364    HE3  MET  52           2HE      MET  52  17.629  -1.267   7.295
  365    H    GLY  53           H        GLY  53  19.692   3.931   2.591
  366    HA2  GLY  53           2HA      GLY  53  21.484   5.021   3.760
  367    HA3  GLY  53           1HA      GLY  53  22.150   3.439   4.152
  368    H    THR  54           H        THR  54  22.493   2.087   1.968
  369    HA   THR  54           HA       THR  54  24.456   3.603   0.459
  370    HB   THR  54           HB       THR  54  24.896   1.389  -0.624
  371    HG1  THR  54           1HG      THR  54  23.590  -0.223  -0.265
  372   HG21  THR  54          3HG2      THR  54  26.129   2.029   1.385
  373   HG22  THR  54          1HG2      THR  54  25.757   0.307   1.446
  374   HG23  THR  54          2HG2      THR  54  24.814   1.447   2.405
  375    H    ALA  55           H        ALA  55  23.794   4.834  -1.188
  376    HA   ALA  55           HA       ALA  55  21.407   4.094  -2.716
  377    HB1  ALA  55           1HB      ALA  55  21.910   6.373  -3.814
  378    HB2  ALA  55           2HB      ALA  55  23.087   6.586  -2.516
  379    HB3  ALA  55           3HB      ALA  55  21.378   6.374  -2.132
  380    H    SER  56           H        SER  56  21.474   4.320  -5.101
  381    HA   SER  56           HA       SER  56  24.079   3.837  -6.345
  382    HB2  SER  56           2HB      SER  56  23.226   1.806  -7.497
  383    HB3  SER  56           1HB      SER  56  23.335   1.594  -5.750
  384    HG   SER  56           HG       SER  56  21.334   0.890  -6.299
  385    H    GLY  57           H        GLY  57  22.202   6.040  -6.446
  386    HA2  GLY  57           2HA      GLY  57  21.641   7.513  -8.166
  387    HA3  GLY  57           1HA      GLY  57  21.884   6.213  -9.329
  388    H    SER  58           H        SER  58  19.786   6.474  -6.455
  389    HA   SER  58           HA       SER  58  17.393   6.430  -8.129
  390    HB2  SER  58           2HB      SER  58  16.527   4.485  -6.661
  391    HB3  SER  58           1HB      SER  58  17.646   4.097  -7.965
  392    HG   SER  58           HG       SER  58  17.967   3.970  -5.229
  393    H    ASN  59           H        ASN  59  18.588   8.371  -6.323
  394    HA   ASN  59           HA       ASN  59  17.141   8.338  -3.835
  395    HB2  ASN  59           2HB      ASN  59  18.767  10.457  -5.248
  396    HB3  ASN  59           1HB      ASN  59  17.989  10.720  -3.687
  397   HD21  ASN  59          1HD2      ASN  59  18.930   9.723  -1.821
  398   HD22  ASN  59          2HD2      ASN  59  20.385   8.852  -1.884
  399    H    SER  60           H        SER  60  15.189   9.178  -3.380
  400    HA   SER  60           HA       SER  60  13.600  10.258  -5.577
  401    HB2  SER  60           2HB      SER  60  12.767   9.702  -2.722
  402    HB3  SER  60           1HB      SER  60  11.707   9.973  -4.103
  403    HG   SER  60           HG       SER  60  12.024   7.982  -4.720
  404    HA   PRO  61           HA       PRO  61  14.016  14.457  -4.215
  405    HB2  PRO  61           2HB      PRO  61  11.719  15.595  -5.120
  406    HB3  PRO  61           1HB      PRO  61  13.011  15.055  -6.209
  407    HG2  PRO  61           2HG      PRO  61  10.427  13.747  -5.546
  408    HG3  PRO  61           1HG      PRO  61  11.292  13.830  -7.090
  409    HD2  PRO  61           2HD      PRO  61  11.318  11.629  -5.406
  410    HD3  PRO  61           1HD      PRO  61  12.571  11.983  -6.614
  411    H    THR  62           H        THR  62  13.232  16.059  -2.706
  412    HA   THR  62           HA       THR  62  11.852  14.918  -0.447
  413    HB   THR  62           HB       THR  62  12.216  17.177   0.558
  414    HG1  THR  62           1HG      THR  62  12.101  18.415  -1.304
  415   HG21  THR  62          3HG2      THR  62  14.596  15.890  -0.810
  416   HG22  THR  62          1HG2      THR  62  13.942  15.458   0.770
  417   HG23  THR  62          2HG2      THR  62  14.702  17.030   0.530
  Start of MODEL    4
    1    H1   GLY   1           1HT      GLY   1 -37.962   6.006   4.828
    2    H2   GLY   1           2HT      GLY   1 -39.191   5.757   5.973
    3    H3   GLY   1           3HT      GLY   1 -38.339   7.226   5.946
    4    HA2  GLY   1           2HA      GLY   1 -40.581   7.398   4.962
    5    HA3  GLY   1           1HA      GLY   1 -39.283   7.829   3.849
    6    H    SER   2           H        SER   2 -38.684   6.364   2.187
    7    HA   SER   2           HA       SER   2 -40.861   4.648   1.296
    8    HB2  SER   2           2HB      SER   2 -39.627   6.196  -0.252
    9    HB3  SER   2           1HB      SER   2 -38.198   5.190  -0.039
   10    HG   SER   2           HG       SER   2 -39.222   3.525  -1.024
   11    H    MET   3           H        MET   3 -37.328   4.254   1.726
   12    HA   MET   3           HA       MET   3 -37.628   1.353   1.832
   13    HB2  MET   3           2HB      MET   3 -35.193   3.145   1.963
   14    HB3  MET   3           1HB      MET   3 -35.140   1.382   1.980
   15    HG2  MET   3           2HG      MET   3 -36.520   2.936  -0.217
   16    HG3  MET   3           1HG      MET   3 -34.816   2.492  -0.302
   17    HE1  MET   3           3HE      MET   3 -34.942   1.539  -2.216
   18    HE2  MET   3           1HE      MET   3 -36.512   0.964  -2.792
   19    HE3  MET   3           2HE      MET   3 -35.210  -0.183  -2.481
   20    H    ALA   4           H        ALA   4 -38.438   0.659   3.743
   21    HA   ALA   4           HA       ALA   4 -36.932   1.355   6.183
   22    HB1  ALA   4           1HB      ALA   4 -39.943   1.405   5.870
   23    HB2  ALA   4           2HB      ALA   4 -38.892   2.760   6.286
   24    HB3  ALA   4           3HB      ALA   4 -39.113   1.431   7.427
   25    H    GLN   5           H        GLN   5 -36.832  -0.982   4.450
   26    HA   GLN   5           HA       GLN   5 -38.180  -3.087   5.977
   27    HB2  GLN   5           2HB      GLN   5 -38.009  -2.990   3.400
   28    HB3  GLN   5           1HB      GLN   5 -36.339  -3.508   3.631
   29    HG2  GLN   5           2HG      GLN   5 -37.052  -5.510   4.785
   30    HG3  GLN   5           1HG      GLN   5 -38.729  -4.966   4.790
   31   HE21  GLN   5          1HE2      GLN   5 -36.174  -6.343   2.778
   32   HE22  GLN   5          2HE2      GLN   5 -37.172  -6.683   1.437
   33    H    GLU   6           H        GLU   6 -34.870  -2.346   4.842
   34    HA   GLU   6           HA       GLU   6 -33.678  -4.237   6.662
   35    HB2  GLU   6           2HB      GLU   6 -31.521  -3.268   5.850
   36    HB3  GLU   6           1HB      GLU   6 -32.569  -3.824   4.547
   37    HG2  GLU   6           2HG      GLU   6 -33.175  -1.622   3.936
   38    HG3  GLU   6           1HG      GLU   6 -32.629  -0.953   5.471
   39    H    THR   7           H        THR   7 -31.722  -3.341   8.011
   40    HA   THR   7           HA       THR   7 -32.857  -1.385   9.868
   41    HB   THR   7           HB       THR   7 -30.942  -2.096  11.322
   42    HG1  THR   7           1HG      THR   7 -29.411  -3.213  10.460
   43   HG21  THR   7          3HG2      THR   7 -31.782  -4.455  11.626
   44   HG22  THR   7          1HG2      THR   7 -32.762  -4.225  10.177
   45   HG23  THR   7          2HG2      THR   7 -33.048  -3.227  11.603
   46    H    ASN   8           H        ASN   8 -30.846  -0.109  10.995
   47    HA   ASN   8           HA       ASN   8 -29.823   1.607   8.862
   48    HB2  ASN   8           2HB      ASN   8 -30.966   2.344  11.108
   49    HB3  ASN   8           1HB      ASN   8 -29.357   2.097  11.784
   50   HD21  ASN   8          1HD2      ASN   8 -31.195   4.008   9.405
   51   HD22  ASN   8          2HD2      ASN   8 -30.019   5.233   9.239
   52    H    GLN   9           H        GLN   9 -28.610  -0.274  11.635
   53    HA   GLN   9           HA       GLN   9 -25.846   0.145  10.793
   54    HB2  GLN   9           2HB      GLN   9 -26.594   0.158  13.222
   55    HB3  GLN   9           1HB      GLN   9 -26.828  -1.584  13.067
   56    HG2  GLN   9           2HG      GLN   9 -24.501  -1.912  12.502
   57    HG3  GLN   9           1HG      GLN   9 -24.228  -0.173  12.417
   58   HE21  GLN   9          1HE2      GLN   9 -23.289  -2.534  14.317
   59   HE22  GLN   9          2HE2      GLN   9 -23.460  -1.833  15.863
   60    H    THR  10           H        THR  10 -25.231  -1.040   9.088
   61    HA   THR  10           HA       THR  10 -25.504  -3.956   9.249
   62    HB   THR  10           HB       THR  10 -26.014  -3.850   6.696
   63    HG1  THR  10           1HG      THR  10 -26.951  -2.014   6.019
   64   HG21  THR  10          3HG2      THR  10 -28.253  -2.995   8.530
   65   HG22  THR  10          1HG2      THR  10 -27.528  -4.600   8.634
   66   HG23  THR  10          2HG2      THR  10 -28.329  -4.088   7.148
   67    HA   PRO  11           HA       PRO  11 -21.178  -2.732   8.171
   68    HB2  PRO  11           2HB      PRO  11 -20.143  -5.264   8.714
   69    HB3  PRO  11           1HB      PRO  11 -20.270  -3.939   9.885
   70    HG2  PRO  11           2HG      PRO  11 -22.061  -6.276   9.471
   71    HG3  PRO  11           1HG      PRO  11 -21.543  -5.499  10.979
   72    HD2  PRO  11           2HD      PRO  11 -24.000  -5.071   9.958
   73    HD3  PRO  11           1HD      PRO  11 -23.107  -3.777  10.789
   74    H    GLY  12           H        GLY  12 -21.114  -2.537   5.985
   75    HA2  GLY  12           2HA      GLY  12 -20.560  -4.878   4.382
   76    HA3  GLY  12           1HA      GLY  12 -22.100  -4.107   4.002
   77    HA   PRO  13           HA       PRO  13 -20.224  -0.947   1.536
   78    HB2  PRO  13           2HB      PRO  13 -20.944   1.277   3.375
   79    HB3  PRO  13           1HB      PRO  13 -21.413   1.010   1.684
   80    HG2  PRO  13           2HG      PRO  13 -23.135   0.681   3.688
   81    HG3  PRO  13           1HG      PRO  13 -23.163  -0.358   2.249
   82    HD2  PRO  13           2HD      PRO  13 -22.101  -0.961   4.990
   83    HD3  PRO  13           1HD      PRO  13 -22.972  -2.023   3.858
   84    H    MET  14           H        MET  14 -18.041  -1.664   1.989
   85    HA   MET  14           HA       MET  14 -16.513  -0.553   4.143
   86    HB2  MET  14           2HB      MET  14 -15.764  -2.077   1.646
   87    HB3  MET  14           1HB      MET  14 -14.556  -1.483   2.790
   88    HG2  MET  14           2HG      MET  14 -16.914  -3.130   3.705
   89    HG3  MET  14           1HG      MET  14 -15.424  -3.889   3.147
   90    HE1  MET  14           3HE      MET  14 -13.081  -3.373   4.098
   91    HE2  MET  14           1HE      MET  14 -13.920  -4.755   4.816
   92    HE3  MET  14           2HE      MET  14 -12.987  -3.657   5.833
   93    H    LEU  15           H        LEU  15 -16.940   1.687   3.926
   94    HA   LEU  15           HA       LEU  15 -16.161   3.092   1.534
   95    HB2  LEU  15           2HB      LEU  15 -17.644   3.653   3.955
   96    HB3  LEU  15           1HB      LEU  15 -16.472   4.934   3.670
   97    HG   LEU  15           HG       LEU  15 -17.336   5.118   1.313
   98   HD11  LEU  15          1HD1      LEU  15 -19.174   2.974   2.360
   99   HD12  LEU  15          2HD1      LEU  15 -18.349   3.061   0.804
  100   HD13  LEU  15          3HD1      LEU  15 -19.744   4.092   1.121
  101   HD21  LEU  15          3HD2      LEU  15 -18.158   6.661   2.999
  102   HD22  LEU  15          1HD2      LEU  15 -19.314   5.463   3.582
  103   HD23  LEU  15          2HD2      LEU  15 -19.511   6.173   1.979
  104    H    CYS  16           H        CYS  16 -14.412   4.438   1.230
  105    HA   CYS  16           HA       CYS  16 -11.919   3.686   2.011
  106    HB2  CYS  16           2HB      CYS  16 -12.606   5.362   0.220
  107    HB3  CYS  16           1HB      CYS  16 -12.580   6.581   1.498
  108    H    SER  17           H        SER  17 -10.613   3.846   3.663
  109    HA   SER  17           HA       SER  17 -11.434   4.721   6.217
  110    HB2  SER  17           2HB      SER  17  -8.603   4.288   5.252
  111    HB3  SER  17           1HB      SER  17  -9.152   4.279   6.926
  112    HG   SER  17           HG       SER  17  -8.931   2.187   5.784
  113    H    THR  18           H        THR  18  -9.867   6.478   3.619
  114    HA   THR  18           HA       THR  18  -8.872   8.586   5.331
  115    HB   THR  18           HB       THR  18  -8.143   9.674   3.314
  116    HG1  THR  18           1HG      THR  18  -9.663   9.486   1.843
  117   HG21  THR  18          3HG2      THR  18  -6.698   7.980   2.406
  118   HG22  THR  18          1HG2      THR  18  -7.805   6.696   2.894
  119   HG23  THR  18          2HG2      THR  18  -6.923   7.610   4.117
  120    H    GLY  19           H        GLY  19 -11.981   7.925   4.072
  121    HA2  GLY  19           2HA      GLY  19 -13.913   9.153   4.334
  122    HA3  GLY  19           1HA      GLY  19 -12.948  10.467   5.002
  123    H    CYS  20           H        CYS  20 -12.137   9.134   1.852
  124    HA   CYS  20           HA       CYS  20 -12.410  11.687   0.613
  125    HB2  CYS  20           2HB      CYS  20 -11.833  10.527  -1.481
  126    HB3  CYS  20           1HB      CYS  20 -10.748  10.066  -0.170
  127    H    GLY  21           H        GLY  21 -14.736   9.235   1.285
  128    HA2  GLY  21           2HA      GLY  21 -17.047   9.463   1.028
  129    HA3  GLY  21           1HA      GLY  21 -16.776  10.734  -0.159
  130    H    PHE  22           H        PHE  22 -14.866   8.014  -0.856
  131    HA   PHE  22           HA       PHE  22 -16.762   7.149  -2.932
  132    HB2  PHE  22           2HB      PHE  22 -13.745   7.068  -2.734
  133    HB3  PHE  22           1HB      PHE  22 -14.634   6.170  -3.960
  134    HD1  PHE  22           2HD      PHE  22 -14.013   9.589  -2.622
  135    HD2  PHE  22           1HD      PHE  22 -15.507   7.241  -5.894
  136    HE1  PHE  22           2HE      PHE  22 -14.149  11.631  -4.024
  137    HE2  PHE  22           1HE      PHE  22 -15.643   9.283  -7.296
  138    HZ   PHE  22           HZ       PHE  22 -14.965  11.476  -6.361
  139    H    TYR  23           H        TYR  23 -15.889   4.712  -3.590
  140    HA   TYR  23           HA       TYR  23 -16.534   3.105  -1.222
  141    HB2  TYR  23           2HB      TYR  23 -17.656   2.874  -3.559
  142    HB3  TYR  23           1HB      TYR  23 -16.181   1.999  -3.996
  143    HD1  TYR  23           1HD      TYR  23 -18.937   2.111  -1.478
  144    HD2  TYR  23           2HD      TYR  23 -15.872  -0.255  -3.339
  145    HE1  TYR  23           1HE      TYR  23 -19.791   0.098  -0.315
  146    HE2  TYR  23           2HE      TYR  23 -16.733  -2.277  -2.184
  147    HH   TYR  23           HH       TYR  23 -18.132  -2.626   0.106
  148    H    GLY  24           H        GLY  24 -15.209   1.538  -0.369
  149    HA2  GLY  24           2HA      GLY  24 -12.421   1.477  -1.394
  150    HA3  GLY  24           1HA      GLY  24 -12.863   1.276   0.302
  151    H    ASN  25           H        ASN  25 -11.262  -0.626  -0.815
  152    HA   ASN  25           HA       ASN  25 -13.064  -2.924  -1.328
  153    HB2  ASN  25           2HB      ASN  25 -11.163  -2.079  -3.008
  154    HB3  ASN  25           1HB      ASN  25 -10.154  -3.067  -1.966
  155   HD21  ASN  25          1HD2      ASN  25  -9.817  -4.853  -3.371
  156   HD22  ASN  25          2HD2      ASN  25 -11.089  -5.835  -3.945
  157    HA   PRO  26           HA       PRO  26 -11.456  -4.467   2.575
  158    HB2  PRO  26           2HB      PRO  26 -12.445  -6.972   2.551
  159    HB3  PRO  26           1HB      PRO  26 -13.498  -5.548   2.720
  160    HG2  PRO  26           2HG      PRO  26 -12.902  -7.175   0.284
  161    HG3  PRO  26           1HG      PRO  26 -14.465  -6.585   0.884
  162    HD2  PRO  26           2HD      PRO  26 -13.062  -5.320  -1.099
  163    HD3  PRO  26           1HD      PRO  26 -14.146  -4.461   0.022
  164    H    ARG  27           H        ARG  27 -10.792  -6.077  -0.490
  165    HA   ARG  27           HA       ARG  27  -8.805  -7.876   0.543
  166    HB2  ARG  27           2HB      ARG  27  -9.335  -6.937  -2.289
  167    HB3  ARG  27           1HB      ARG  27  -8.267  -8.267  -1.832
  168    HG2  ARG  27           2HG      ARG  27 -10.125  -9.503  -0.866
  169    HG3  ARG  27           1HG      ARG  27 -11.216  -8.145  -1.141
  170    HD2  ARG  27           2HD      ARG  27 -11.448  -8.607  -3.366
  171    HD3  ARG  27           1HD      ARG  27  -9.774  -9.128  -3.544
  172    HE   ARG  27           HE       ARG  27 -12.049 -10.806  -2.929
  173   HH11  ARG  27          1HH2      ARG  27  -8.563 -10.508  -2.585
  174   HH12  ARG  27          2HH2      ARG  27  -8.312 -12.219  -2.589
  175   HH21  ARG  27          1HH1      ARG  27 -11.656 -13.028  -2.925
  176   HH22  ARG  27          2HH1      ARG  27 -10.038 -13.628  -2.764
  177    H    THR  28           H        THR  28  -8.876  -4.584  -0.623
  178    HA   THR  28           HA       THR  28  -5.957  -4.385  -0.749
  179    HB   THR  28           HB       THR  28  -6.369  -2.054  -1.432
  180    HG1  THR  28           1HG      THR  28  -8.168  -1.663  -0.124
  181   HG21  THR  28          3HG2      THR  28  -6.931  -2.653  -3.543
  182   HG22  THR  28          1HG2      THR  28  -8.479  -3.328  -3.040
  183   HG23  THR  28          2HG2      THR  28  -7.010  -4.294  -2.909
  184    H    ASN  29           H        ASN  29  -6.045  -1.589   0.476
  185    HA   ASN  29           HA       ASN  29  -5.908  -2.480   3.259
  186    HB2  ASN  29           2HB      ASN  29  -4.339  -0.729   1.718
  187    HB3  ASN  29           1HB      ASN  29  -5.178   0.312   2.864
  188   HD21  ASN  29          1HD2      ASN  29  -3.962  -3.066   3.262
  189   HD22  ASN  29          2HD2      ASN  29  -2.965  -2.701   4.597
  190    H    GLY  30           H        GLY  30  -8.551  -2.036   1.932
  191    HA2  GLY  30           2HA      GLY  30 -10.603  -1.292   2.671
  192    HA3  GLY  30           1HA      GLY  30  -9.790  -0.566   4.055
  193    H    MET  31           H        MET  31  -8.504   0.355   0.978
  194    HA   MET  31           HA       MET  31  -9.955   2.929   1.125
  195    HB2  MET  31           2HB      MET  31  -7.114   2.371   0.222
  196    HB3  MET  31           1HB      MET  31  -7.913   3.942   0.148
  197    HG2  MET  31           2HG      MET  31  -8.167   3.997   2.557
  198    HG3  MET  31           1HG      MET  31  -7.560   2.349   2.702
  199    HE1  MET  31           3HE      MET  31  -6.178   2.589   4.212
  200    HE2  MET  31           1HE      MET  31  -5.287   4.073   4.580
  201    HE3  MET  31           2HE      MET  31  -4.464   2.707   3.836
  202    H    CYS  32           H        CYS  32 -10.107   4.047  -0.994
  203    HA   CYS  32           HA       CYS  32 -11.150   2.266  -2.964
  204    HB2  CYS  32           2HB      CYS  32 -11.776   4.314  -4.163
  205    HB3  CYS  32           1HB      CYS  32 -12.197   4.447  -2.457
  206    H    SER  33           H        SER  33 -10.374   3.525  -5.379
  207    HA   SER  33           HA       SER  33  -7.915   2.147  -5.853
  208    HB2  SER  33           2HB      SER  33 -10.013   2.791  -7.415
  209    HB3  SER  33           1HB      SER  33  -8.883   4.051  -7.903
  210    HG   SER  33           HG       SER  33  -7.434   2.510  -8.506
  211    H    VAL  34           H        VAL  34  -8.736   5.598  -5.700
  212    HA   VAL  34           HA       VAL  34  -6.127   6.488  -6.489
  213    HB   VAL  34           HB       VAL  34  -8.169   8.116  -4.955
  214   HG11  VAL  34          1HG1      VAL  34  -7.136   9.970  -6.245
  215   HG12  VAL  34          2HG1      VAL  34  -5.999   8.824  -6.955
  216   HG13  VAL  34          3HG1      VAL  34  -5.958   9.149  -5.222
  217   HG21  VAL  34          3HG2      VAL  34  -9.457   7.342  -6.762
  218   HG22  VAL  34          1HG2      VAL  34  -8.070   7.276  -7.847
  219   HG23  VAL  34          2HG2      VAL  34  -8.771   8.835  -7.405
  220    H    CYS  35           H        CYS  35  -7.775   6.373  -3.353
  221    HA   CYS  35           HA       CYS  35  -5.611   7.333  -1.815
  222    HB2  CYS  35           2HB      CYS  35  -7.958   5.607  -1.001
  223    HB3  CYS  35           1HB      CYS  35  -6.852   6.398   0.122
  224    H    TYR  36           H        TYR  36  -6.535   4.046  -2.799
  225    HA   TYR  36           HA       TYR  36  -4.752   2.694  -1.060
  226    HB2  TYR  36           2HB      TYR  36  -6.641   1.556  -2.148
  227    HB3  TYR  36           1HB      TYR  36  -5.852   1.737  -3.720
  228    HD1  TYR  36           1HD      TYR  36  -4.628   0.713  -0.299
  229    HD2  TYR  36           2HD      TYR  36  -5.028  -0.321  -4.452
  230    HE1  TYR  36           1HE      TYR  36  -3.347  -1.370   0.095
  231    HE2  TYR  36           2HE      TYR  36  -3.748  -2.409  -4.053
  232    HH   TYR  36           HH       TYR  36  -3.041  -3.575  -0.903
  233    H    LYS  37           H        LYS  37  -4.266   4.017  -4.342
  234    HA   LYS  37           HA       LYS  37  -1.681   2.784  -4.594
  235    HB2  LYS  37           2HB      LYS  37  -1.403   4.287  -6.573
  236    HB3  LYS  37           1HB      LYS  37  -2.846   3.286  -6.645
  237    HG2  LYS  37           2HG      LYS  37  -4.203   5.198  -5.857
  238    HG3  LYS  37           1HG      LYS  37  -2.756   6.206  -5.813
  239    HD2  LYS  37           2HD      LYS  37  -3.571   4.742  -8.322
  240    HD3  LYS  37           1HD      LYS  37  -4.270   6.310  -7.926
  241    HE2  LYS  37           2HE      LYS  37  -2.465   7.235  -8.918
  242    HE3  LYS  37           1HE      LYS  37  -1.513   6.675  -7.545
  243    HZ1  LYS  37           3HZ      LYS  37  -1.273   4.525  -8.748
  244    HZ2  LYS  37           1HZ      LYS  37  -0.515   5.835  -9.514
  245    HZ3  LYS  37           2HZ      LYS  37  -1.997   5.247 -10.103
  246    H    GLU  38           H        GLU  38  -2.864   6.039  -3.774
  247    HA   GLU  38           HA       GLU  38  -0.314   7.234  -3.443
  248    HB2  GLU  38           2HB      GLU  38  -3.002   7.908  -2.230
  249    HB3  GLU  38           1HB      GLU  38  -1.570   8.930  -2.086
  250    HG2  GLU  38           2HG      GLU  38  -1.465   8.805  -4.669
  251    HG3  GLU  38           1HG      GLU  38  -3.127   8.218  -4.571
  252    H    HIS  39           H        HIS  39  -2.511   5.637  -1.122
  253    HA   HIS  39           HA       HIS  39  -1.097   6.185   1.229
  254    HB2  HIS  39           2HB      HIS  39  -3.421   5.218   1.031
  255    HB3  HIS  39           1HB      HIS  39  -2.670   3.659   0.682
  256    HD1  HIS  39           1HD      HIS  39  -2.741   6.319   3.395
  257    HD2  HIS  39           2HD      HIS  39  -1.855   2.271   2.940
  258    HE1  HIS  39           1HE      HIS  39  -2.296   5.421   5.720
  259    HE2  HIS  39           2HE      HIS  39  -1.723   2.960   5.458
  260    H    LEU  40           H        LEU  40  -0.859   3.297  -0.871
  261    HA   LEU  40           HA       LEU  40   1.059   1.932   0.658
  262    HB2  LEU  40           2HB      LEU  40  -0.305   1.503  -1.767
  263    HB3  LEU  40           1HB      LEU  40   1.405   1.416  -2.190
  264    HG   LEU  40           HG       LEU  40   1.703  -0.176  -0.236
  265   HD11  LEU  40          1HD1      LEU  40  -0.280  -1.222   0.710
  266   HD12  LEU  40          2HD1      LEU  40  -1.325  -0.272  -0.346
  267   HD13  LEU  40          3HD1      LEU  40  -0.408   0.524   0.931
  268   HD21  LEU  40          3HD2      LEU  40   1.523  -0.987  -2.553
  269   HD22  LEU  40          1HD2      LEU  40  -0.238  -0.981  -2.427
  270   HD23  LEU  40          2HD2      LEU  40   0.714  -2.098  -1.449
  271    H    GLN  41           H        GLN  41   1.457   4.618  -1.540
  272    HA   GLN  41           HA       GLN  41   4.199   4.297  -2.150
  273    HB2  GLN  41           2HB      GLN  41   2.521   5.876  -3.251
  274    HB3  GLN  41           1HB      GLN  41   2.813   6.960  -1.890
  275    HG2  GLN  41           2HG      GLN  41   5.240   6.914  -2.394
  276    HG3  GLN  41           1HG      GLN  41   4.915   5.879  -3.787
  277   HE21  GLN  41          1HE2      GLN  41   3.814   6.840  -5.645
  278   HE22  GLN  41          2HE2      GLN  41   3.687   8.533  -5.812
  279    H    ARG  42           H        ARG  42   2.559   5.929   0.544
  280    HA   ARG  42           HA       ARG  42   4.981   7.010   1.659
  281    HB2  ARG  42           2HB      ARG  42   2.310   6.584   3.021
  282    HB3  ARG  42           1HB      ARG  42   3.615   7.636   3.567
  283    HG2  ARG  42           2HG      ARG  42   3.208   8.534   0.984
  284    HG3  ARG  42           1HG      ARG  42   1.575   8.091   1.477
  285    HD2  ARG  42           2HD      ARG  42   1.698   9.537   3.414
  286    HD3  ARG  42           1HD      ARG  42   3.406   9.853   3.127
  287    HE   ARG  42           HE       ARG  42   1.200  11.164   1.856
  288   HH11  ARG  42          1HH2      ARG  42   4.511  10.094   1.323
  289   HH12  ARG  42          2HH2      ARG  42   4.784  11.240   0.057
  290   HH21  ARG  42          1HH1      ARG  42   1.625  12.629   0.197
  291   HH22  ARG  42          2HH1      ARG  42   3.175  12.654  -0.574
  292    H    GLN  43           H        GLN  43   3.168   4.029   2.040
  293    HA   GLN  43           HA       GLN  43   4.414   3.171   4.472
  294    HB2  GLN  43           2HB      GLN  43   2.208   2.356   3.342
  295    HB3  GLN  43           1HB      GLN  43   3.273   1.283   2.431
  296    HG2  GLN  43           2HG      GLN  43   2.702  -0.010   4.306
  297    HG3  GLN  43           1HG      GLN  43   4.263   0.673   4.762
  298   HE21  GLN  43          1HE2      GLN  43   0.732   1.150   5.183
  299   HE22  GLN  43          2HE2      GLN  43   0.865   1.986   6.653
  300    H    GLN  44           H        GLN  44   5.069   2.677   1.030
  301    HA   GLN  44           HA       GLN  44   7.191   0.788   1.424
  302    HB2  GLN  44           2HB      GLN  44   5.814   1.165  -0.710
  303    HB3  GLN  44           1HB      GLN  44   6.872   2.546  -1.004
  304    HG2  GLN  44           2HG      GLN  44   8.801   1.186  -1.154
  305    HG3  GLN  44           1HG      GLN  44   7.996  -0.185  -0.392
  306   HE21  GLN  44          1HE2      GLN  44   5.944  -0.952  -1.736
  307   HE22  GLN  44          2HE2      GLN  44   6.168  -1.024  -3.426
  308    H    ASN  45           H        ASN  45   7.016   4.294   1.020
  309    HA   ASN  45           HA       ASN  45   9.885   4.631   0.957
  310    HB2  ASN  45           2HB      ASN  45   7.515   6.466   0.958
  311    HB3  ASN  45           1HB      ASN  45   9.123   7.112   1.284
  312   HD21  ASN  45          1HD2      ASN  45   7.164   7.163  -1.188
  313   HD22  ASN  45          2HD2      ASN  45   8.202   6.786  -2.487
  314    H    SER  46           H        SER  46   7.759   3.964   3.496
  315    HA   SER  46           HA       SER  46   8.573   5.703   5.545
  316    HB2  SER  46           2HB      SER  46   6.664   4.218   5.817
  317    HB3  SER  46           1HB      SER  46   7.707   2.806   5.704
  318    HG   SER  46           HG       SER  46   7.731   4.832   7.693
  319    H    GLY  47           H        GLY  47   9.817   2.432   4.769
  320    HA2  GLY  47           2HA      GLY  47  12.384   2.443   4.725
  321    HA3  GLY  47           1HA      GLY  47  12.227   3.025   6.380
  322    H    ARG  48           H        ARG  48  11.080   0.361   4.288
  323    HA   ARG  48           HA       ARG  48  11.141  -1.439   6.633
  324    HB2  ARG  48           2HB      ARG  48   9.546  -1.388   4.091
  325    HB3  ARG  48           1HB      ARG  48   9.831  -2.929   4.900
  326    HG2  ARG  48           2HG      ARG  48   8.973  -1.868   7.030
  327    HG3  ARG  48           1HG      ARG  48   8.498  -0.470   6.065
  328    HD2  ARG  48           2HD      ARG  48   6.803  -1.614   4.990
  329    HD3  ARG  48           1HD      ARG  48   7.611  -3.172   5.134
  330    HE   ARG  48           HE       ARG  48   6.555  -3.474   7.170
  331   HH11  ARG  48          1HH2      ARG  48   6.370  -0.066   6.318
  332   HH12  ARG  48          2HH2      ARG  48   5.298   0.305   7.624
  333   HH21  ARG  48          1HH1      ARG  48   5.164  -2.926   8.845
  334   HH22  ARG  48          2HH1      ARG  48   4.623  -1.292   9.037
  335    H    MET  49           H        MET  49  13.565  -0.667   5.323
  336    HA   MET  49           HA       MET  49  14.346  -3.163   3.930
  337    HB2  MET  49           2HB      MET  49  14.585  -0.897   2.750
  338    HB3  MET  49           1HB      MET  49  15.892  -0.578   3.890
  339    HG2  MET  49           2HG      MET  49  16.980  -1.535   2.018
  340    HG3  MET  49           1HG      MET  49  16.836  -2.867   3.165
  341    HE1  MET  49           3HE      MET  49  17.471  -4.206   1.111
  342    HE2  MET  49           1HE      MET  49  17.198  -3.044  -0.195
  343    HE3  MET  49           2HE      MET  49  16.409  -4.619  -0.233
  344    H    SER  50           H        SER  50  15.720  -0.666   6.099
  345    HA   SER  50           HA       SER  50  17.623  -2.622   7.160
  346    HB2  SER  50           2HB      SER  50  17.325   0.359   7.342
  347    HB3  SER  50           1HB      SER  50  18.330  -0.500   8.504
  348    HG   SER  50           HG       SER  50  19.646  -0.009   6.816
  349    HA   PRO  51           HA       PRO  51  15.583  -3.545  10.971
  350    HB2  PRO  51           2HB      PRO  51  17.838  -2.447  12.574
  351    HB3  PRO  51           1HB      PRO  51  17.149  -4.081  12.560
  352    HG2  PRO  51           2HG      PRO  51  19.511  -3.550  11.452
  353    HG3  PRO  51           1HG      PRO  51  18.397  -4.738  10.752
  354    HD2  PRO  51           2HD      PRO  51  19.000  -1.950   9.834
  355    HD3  PRO  51           1HD      PRO  51  18.649  -3.404   8.872
  356    H    MET  52           H        MET  52  17.443  -0.583  11.763
  357    HA   MET  52           HA       MET  52  15.183   0.519  13.213
  358    HB2  MET  52           2HB      MET  52  17.678   0.746  13.835
  359    HB3  MET  52           1HB      MET  52  17.736   1.984  12.581
  360    HG2  MET  52           2HG      MET  52  15.918   3.215  13.692
  361    HG3  MET  52           1HG      MET  52  15.827   1.970  14.937
  362    HE1  MET  52           3HE      MET  52  16.594   5.376  15.033
  363    HE2  MET  52           1HE      MET  52  17.337   5.160  16.624
  364    HE3  MET  52           2HE      MET  52  15.869   4.281  16.206
  365    H    GLY  53           H        GLY  53  17.250   1.802  10.581
  366    HA2  GLY  53           2HA      GLY  53  15.784   2.380   8.522
  367    HA3  GLY  53           1HA      GLY  53  14.979   3.447   9.668
  368    H    THR  54           H        THR  54  16.565   4.905  10.932
  369    HA   THR  54           HA       THR  54  18.384   6.144   8.967
  370    HB   THR  54           HB       THR  54  18.264   8.069  10.689
  371    HG1  THR  54           1HG      THR  54  16.472   7.976  12.026
  372   HG21  THR  54          3HG2      THR  54  15.813   7.183   9.143
  373   HG22  THR  54          1HG2      THR  54  17.151   8.143   8.512
  374   HG23  THR  54          2HG2      THR  54  16.090   8.817   9.749
  375    H    ALA  55           H        ALA  55  20.502   6.699   9.507
  376    HA   ALA  55           HA       ALA  55  21.730   5.002  11.525
  377    HB1  ALA  55           1HB      ALA  55  22.907   6.913   9.494
  378    HB2  ALA  55           2HB      ALA  55  22.818   5.157   9.362
  379    HB3  ALA  55           3HB      ALA  55  23.857   5.898  10.578
  380    H    SER  56           H        SER  56  21.427   8.479  10.822
  381    HA   SER  56           HA       SER  56  22.606   9.133  13.433
  382    HB2  SER  56           2HB      SER  56  23.166  10.305  11.165
  383    HB3  SER  56           1HB      SER  56  21.652  11.164  11.438
  384    HG   SER  56           HG       SER  56  24.067  11.478  12.625
  385    H    GLY  57           H        GLY  57  19.616   9.538  11.563
  386    HA2  GLY  57           2HA      GLY  57  17.440   9.855  12.256
  387    HA3  GLY  57           1HA      GLY  57  17.977   9.530  13.901
  388    H    SER  58           H        SER  58  18.001  12.061  11.393
  389    HA   SER  58           HA       SER  58  18.156  14.120  13.505
  390    HB2  SER  58           2HB      SER  58  18.488  14.483  10.522
  391    HB3  SER  58           1HB      SER  58  18.890  15.636  11.790
  392    HG   SER  58           HG       SER  58  20.620  14.209  10.844
  393    H    ASN  59           H        ASN  59  15.708  12.647  13.012
  394    HA   ASN  59           HA       ASN  59  13.978  14.714  11.794
  395    HB2  ASN  59           2HB      ASN  59  12.255  12.903  11.722
  396    HB3  ASN  59           1HB      ASN  59  13.680  12.557  10.747
  397   HD21  ASN  59          1HD2      ASN  59  15.179  10.893  11.542
  398   HD22  ASN  59          2HD2      ASN  59  14.698   9.788  12.738
  399    H    SER  60           H        SER  60  12.265  15.581  12.925
  400    HA   SER  60           HA       SER  60  11.537  14.635  15.552
  401    HB2  SER  60           2HB      SER  60  12.099  16.875  16.622
  402    HB3  SER  60           1HB      SER  60  13.468  15.819  16.281
  403    HG   SER  60           HG       SER  60  13.947  17.039  14.497
  404    HA   PRO  61           HA       PRO  61   7.654  16.523  14.597
  405    HB2  PRO  61           2HB      PRO  61   7.654  17.912  17.234
  406    HB3  PRO  61           1HB      PRO  61   6.463  16.796  16.544
  407    HG2  PRO  61           2HG      PRO  61   8.115  16.042  18.488
  408    HG3  PRO  61           1HG      PRO  61   7.630  14.933  17.194
  409    HD2  PRO  61           2HD      PRO  61  10.233  16.360  17.574
  410    HD3  PRO  61           1HD      PRO  61   9.917  14.748  16.897
  411    H    THR  62           H        THR  62   6.449  18.755  14.695
  412    HA   THR  62           HA       THR  62   8.285  21.036  14.556
  413    HB   THR  62           HB       THR  62   8.306  20.234  12.270
  414    HG1  THR  62           1HG      THR  62   8.057  22.203  11.636
  415   HG21  THR  62          3HG2      THR  62   6.239  18.885  12.342
  416   HG22  THR  62          1HG2      THR  62   6.219  19.997  10.972
  417   HG23  THR  62          2HG2      THR  62   5.278  20.362  12.418
  Start of MODEL    5
    1    H1   GLY   1           1HT      GLY   1 -42.902  -4.980  12.754
    2    H2   GLY   1           2HT      GLY   1 -42.088  -5.873  11.559
    3    H3   GLY   1           3HT      GLY   1 -42.013  -4.177  11.553
    4    HA2  GLY   1           2HA      GLY   1 -40.943  -5.874  13.740
    5    HA3  GLY   1           1HA      GLY   1 -39.967  -5.252  12.409
    6    H    SER   2           H        SER   2 -40.624  -4.688  15.524
    7    HA   SER   2           HA       SER   2 -40.985  -1.806  15.443
    8    HB2  SER   2           2HB      SER   2 -41.915  -3.374  17.242
    9    HB3  SER   2           1HB      SER   2 -40.270  -3.459  17.862
   10    HG   SER   2           HG       SER   2 -40.446  -1.480  18.576
   11    H    MET   3           H        MET   3 -39.398  -0.343  15.390
   12    HA   MET   3           HA       MET   3 -36.632  -1.213  15.366
   13    HB2  MET   3           2HB      MET   3 -37.734   0.589  13.866
   14    HB3  MET   3           1HB      MET   3 -37.552   1.648  15.263
   15    HG2  MET   3           2HG      MET   3 -35.554   1.997  14.069
   16    HG3  MET   3           1HG      MET   3 -35.088   0.817  15.295
   17    HE1  MET   3           3HE      MET   3 -36.126   1.703  11.945
   18    HE2  MET   3           1HE      MET   3 -37.066   0.233  11.660
   19    HE3  MET   3           2HE      MET   3 -35.530   0.475  10.831
   20    H    ALA   4           H        ALA   4 -35.993  -1.785  17.416
   21    HA   ALA   4           HA       ALA   4 -35.870   0.401  19.396
   22    HB1  ALA   4           1HB      ALA   4 -36.375  -1.224  21.194
   23    HB2  ALA   4           2HB      ALA   4 -36.681  -2.460  19.973
   24    HB3  ALA   4           3HB      ALA   4 -37.726  -1.043  20.075
   25    H    GLN   5           H        GLN   5 -34.854  -3.015  19.036
   26    HA   GLN   5           HA       GLN   5 -32.172  -2.271  20.005
   27    HB2  GLN   5           2HB      GLN   5 -33.696  -4.865  19.861
   28    HB3  GLN   5           1HB      GLN   5 -31.946  -4.849  20.077
   29    HG2  GLN   5           2HG      GLN   5 -32.193  -3.426  22.069
   30    HG3  GLN   5           1HG      GLN   5 -33.943  -3.416  21.852
   31   HE21  GLN   5          1HE2      GLN   5 -31.227  -5.309  23.010
   32   HE22  GLN   5          2HE2      GLN   5 -32.149  -6.628  23.578
   33    H    GLU   6           H        GLU   6 -33.001  -1.580  17.312
   34    HA   GLU   6           HA       GLU   6 -31.409  -3.426  15.650
   35    HB2  GLU   6           2HB      GLU   6 -33.853  -2.587  15.097
   36    HB3  GLU   6           1HB      GLU   6 -33.004  -1.157  14.513
   37    HG2  GLU   6           2HG      GLU   6 -32.044  -3.878  13.679
   38    HG3  GLU   6           1HG      GLU   6 -33.450  -3.177  12.879
   39    H    THR   7           H        THR   7 -29.416  -2.860  15.071
   40    HA   THR   7           HA       THR   7 -28.273  -0.353  15.848
   41    HB   THR   7           HB       THR   7 -26.286  -1.240  14.506
   42    HG1  THR   7           1HG      THR   7 -26.557  -3.018  13.428
   43   HG21  THR   7          3HG2      THR   7 -26.402  -1.548  16.904
   44   HG22  THR   7          1HG2      THR   7 -25.871  -3.067  16.180
   45   HG23  THR   7          2HG2      THR   7 -27.541  -2.882  16.720
   46    H    ASN   8           H        ASN   8 -27.252   1.195  14.432
   47    HA   ASN   8           HA       ASN   8 -28.770   1.593  11.933
   48    HB2  ASN   8           2HB      ASN   8 -28.673   3.335  13.858
   49    HB3  ASN   8           1HB      ASN   8 -27.047   3.673  13.260
   50   HD21  ASN   8          1HD2      ASN   8 -26.929   5.180  11.594
   51   HD22  ASN   8          2HD2      ASN   8 -28.236   5.624  10.591
   52    H    GLN   9           H        GLN   9 -26.465  -0.243  12.149
   53    HA   GLN   9           HA       GLN   9 -24.793   0.975  10.054
   54    HB2  GLN   9           2HB      GLN   9 -23.739  -0.466  12.501
   55    HB3  GLN   9           1HB      GLN   9 -22.764   0.032  11.118
   56    HG2  GLN   9           2HG      GLN   9 -23.456   2.388  11.513
   57    HG3  GLN   9           1HG      GLN   9 -24.348   1.866  12.941
   58   HE21  GLN   9          1HE2      GLN   9 -21.050   2.065  11.565
   59   HE22  GLN   9          2HE2      GLN   9 -20.253   2.017  13.073
   60    H    THR  10           H        THR  10 -25.020  -0.293   8.326
   61    HA   THR  10           HA       THR  10 -25.386  -3.199   8.706
   62    HB   THR  10           HB       THR  10 -26.246  -3.159   6.367
   63    HG1  THR  10           1HG      THR  10 -25.739  -1.457   5.277
   64   HG21  THR  10          3HG2      THR  10 -27.881  -3.035   8.111
   65   HG22  THR  10          1HG2      THR  10 -28.326  -1.807   6.927
   66   HG23  THR  10          2HG2      THR  10 -27.514  -1.337   8.422
   67    HA   PRO  11           HA       PRO  11 -21.264  -3.527   6.941
   68    HB2  PRO  11           2HB      PRO  11 -21.011  -6.207   6.851
   69    HB3  PRO  11           1HB      PRO  11 -21.051  -5.330   8.393
   70    HG2  PRO  11           2HG      PRO  11 -23.203  -6.883   7.044
   71    HG3  PRO  11           1HG      PRO  11 -22.786  -6.792   8.763
   72    HD2  PRO  11           2HD      PRO  11 -24.853  -5.366   7.571
   73    HD3  PRO  11           1HD      PRO  11 -24.066  -4.919   9.099
   74    H    GLY  12           H        GLY  12 -20.754  -3.160   4.834
   75    HA2  GLY  12           2HA      GLY  12 -20.908  -4.911   2.734
   76    HA3  GLY  12           1HA      GLY  12 -22.450  -4.058   2.684
   77    HA   PRO  13           HA       PRO  13 -20.465  -0.592   0.769
   78    HB2  PRO  13           2HB      PRO  13 -21.173   1.661   2.099
   79    HB3  PRO  13           1HB      PRO  13 -22.353   0.667   1.218
   80    HG2  PRO  13           2HG      PRO  13 -21.812   0.826   4.136
   81    HG3  PRO  13           1HG      PRO  13 -23.352   0.631   3.277
   82    HD2  PRO  13           2HD      PRO  13 -21.936  -1.446   4.476
   83    HD3  PRO  13           1HD      PRO  13 -23.156  -1.654   3.199
   84    H    MET  14           H        MET  14 -18.275  -1.353   1.310
   85    HA   MET  14           HA       MET  14 -16.856  -0.273   3.550
   86    HB2  MET  14           2HB      MET  14 -16.093  -1.835   1.106
   87    HB3  MET  14           1HB      MET  14 -14.837  -1.089   2.095
   88    HG2  MET  14           2HG      MET  14 -17.006  -2.820   3.295
   89    HG3  MET  14           1HG      MET  14 -15.483  -3.492   2.712
   90    HE1  MET  14           3HE      MET  14 -15.462  -3.404   6.665
   91    HE2  MET  14           1HE      MET  14 -14.994  -4.431   5.303
   92    HE3  MET  14           2HE      MET  14 -16.647  -3.840   5.435
   93    H    LEU  15           H        LEU  15 -17.323   1.991   3.336
   94    HA   LEU  15           HA       LEU  15 -16.337   3.474   1.069
   95    HB2  LEU  15           2HB      LEU  15 -17.960   3.990   3.401
   96    HB3  LEU  15           1HB      LEU  15 -16.684   5.198   3.328
   97    HG   LEU  15           HG       LEU  15 -17.313   5.688   0.966
   98   HD11  LEU  15          1HD1      LEU  15 -18.275   3.605   0.248
   99   HD12  LEU  15          2HD1      LEU  15 -19.577   4.794   0.220
  100   HD13  LEU  15          3HD1      LEU  15 -19.468   3.637   1.546
  101   HD21  LEU  15          3HD2      LEU  15 -19.323   6.926   1.496
  102   HD22  LEU  15          1HD2      LEU  15 -18.316   6.905   2.945
  103   HD23  LEU  15          2HD2      LEU  15 -19.708   5.828   2.821
  104    H    CYS  16           H        CYS  16 -14.449   4.684   0.927
  105    HA   CYS  16           HA       CYS  16 -12.070   3.782   1.808
  106    HB2  CYS  16           2HB      CYS  16 -12.585   5.710   0.202
  107    HB3  CYS  16           1HB      CYS  16 -12.534   6.748   1.630
  108    H    SER  17           H        SER  17 -10.856   3.699   3.599
  109    HA   SER  17           HA       SER  17 -11.898   4.450   6.130
  110    HB2  SER  17           2HB      SER  17  -9.151   3.558   5.254
  111    HB3  SER  17           1HB      SER  17  -9.556   3.895   6.936
  112    HG   SER  17           HG       SER  17  -9.997   1.682   5.581
  113    H    THR  18           H        THR  18  -9.895   6.147   3.809
  114    HA   THR  18           HA       THR  18  -8.959   8.116   5.699
  115    HB   THR  18           HB       THR  18  -8.005   9.246   3.772
  116    HG1  THR  18           1HG      THR  18  -8.812   8.977   1.868
  117   HG21  THR  18          3HG2      THR  18  -6.573   7.435   2.922
  118   HG22  THR  18          1HG2      THR  18  -7.716   6.232   3.523
  119   HG23  THR  18          2HG2      THR  18  -6.825   7.249   4.657
  120    H    GLY  19           H        GLY  19 -11.937   7.634   4.052
  121    HA2  GLY  19           2HA      GLY  19 -13.874   8.866   4.200
  122    HA3  GLY  19           1HA      GLY  19 -12.981  10.100   5.084
  123    H    CYS  20           H        CYS  20 -12.221   8.905   1.820
  124    HA   CYS  20           HA       CYS  20 -12.220  11.622   0.831
  125    HB2  CYS  20           2HB      CYS  20 -11.510  10.649  -1.309
  126    HB3  CYS  20           1HB      CYS  20 -10.538  10.032   0.026
  127    H    GLY  21           H        GLY  21 -14.717   9.373   1.265
  128    HA2  GLY  21           2HA      GLY  21 -16.967   9.698   0.785
  129    HA3  GLY  21           1HA      GLY  21 -16.521  10.980  -0.337
  130    H    PHE  22           H        PHE  22 -14.666   8.229  -1.029
  131    HA   PHE  22           HA       PHE  22 -16.519   7.450  -3.188
  132    HB2  PHE  22           2HB      PHE  22 -13.504   7.395  -2.991
  133    HB3  PHE  22           1HB      PHE  22 -14.398   6.569  -4.271
  134    HD1  PHE  22           2HD      PHE  22 -13.542   9.859  -2.815
  135    HD2  PHE  22           1HD      PHE  22 -15.540   7.806  -6.017
  136    HE1  PHE  22           2HE      PHE  22 -13.742  11.994  -4.060
  137    HE2  PHE  22           1HE      PHE  22 -15.736   9.941  -7.263
  138    HZ   PHE  22           HZ       PHE  22 -14.840  12.038  -6.285
  139    H    TYR  23           H        TYR  23 -16.103   5.119  -3.919
  140    HA   TYR  23           HA       TYR  23 -16.588   3.424  -1.642
  141    HB2  TYR  23           2HB      TYR  23 -17.625   3.318  -4.049
  142    HB3  TYR  23           1HB      TYR  23 -16.189   2.359  -4.421
  143    HD1  TYR  23           1HD      TYR  23 -18.935   2.630  -1.874
  144    HD2  TYR  23           2HD      TYR  23 -16.187   0.064  -3.952
  145    HE1  TYR  23           1HE      TYR  23 -19.975   0.649  -0.800
  146    HE2  TYR  23           2HE      TYR  23 -17.225  -1.916  -2.882
  147    HH   TYR  23           HH       TYR  23 -18.575  -2.287  -0.624
  148    H    GLY  24           H        GLY  24 -15.376   1.699  -0.906
  149    HA2  GLY  24           2HA      GLY  24 -12.540   1.602  -1.791
  150    HA3  GLY  24           1HA      GLY  24 -13.043   1.405  -0.109
  151    H    ASN  25           H        ASN  25 -11.494  -0.570  -1.200
  152    HA   ASN  25           HA       ASN  25 -13.400  -2.748  -1.841
  153    HB2  ASN  25           2HB      ASN  25 -11.300  -2.017  -3.350
  154    HB3  ASN  25           1HB      ASN  25 -10.467  -3.115  -2.256
  155   HD21  ASN  25          1HD2      ASN  25 -10.409  -5.204  -3.061
  156   HD22  ASN  25          2HD2      ASN  25 -11.628  -5.924  -4.011
  157    HA   PRO  26           HA       PRO  26 -12.241  -4.469   2.114
  158    HB2  PRO  26           2HB      PRO  26 -13.237  -6.966   1.900
  159    HB3  PRO  26           1HB      PRO  26 -14.269  -5.530   2.045
  160    HG2  PRO  26           2HG      PRO  26 -13.559  -7.101  -0.388
  161    HG3  PRO  26           1HG      PRO  26 -15.119  -6.416   0.093
  162    HD2  PRO  26           2HD      PRO  26 -13.428  -5.225  -1.727
  163    HD3  PRO  26           1HD      PRO  26 -14.612  -4.332  -0.747
  164    H    ARG  27           H        ARG  27 -11.298  -6.099  -0.878
  165    HA   ARG  27           HA       ARG  27  -9.384  -7.867   0.339
  166    HB2  ARG  27           2HB      ARG  27  -9.457  -6.902  -2.533
  167    HB3  ARG  27           1HB      ARG  27  -8.621  -8.322  -1.915
  168    HG2  ARG  27           2HG      ARG  27 -10.769  -9.344  -1.292
  169    HG3  ARG  27           1HG      ARG  27 -11.628  -7.912  -1.863
  170    HD2  ARG  27           2HD      ARG  27 -10.915  -8.296  -4.131
  171    HD3  ARG  27           1HD      ARG  27  -9.803  -9.562  -3.628
  172    HE   ARG  27           HE       ARG  27 -12.310 -10.399  -2.790
  173   HH11  ARG  27          1HH2      ARG  27 -10.847  -9.556  -5.885
  174   HH12  ARG  27          2HH2      ARG  27 -11.850 -10.654  -6.768
  175   HH21  ARG  27          1HH1      ARG  27 -13.580 -11.799  -4.004
  176   HH22  ARG  27          2HH1      ARG  27 -13.380 -11.904  -5.722
  177    H    THR  28           H        THR  28  -9.399  -4.548  -0.744
  178    HA   THR  28           HA       THR  28  -6.496  -4.264  -0.672
  179    HB   THR  28           HB       THR  28  -6.951  -1.911  -1.251
  180    HG1  THR  28           1HG      THR  28  -8.791  -1.577  -0.025
  181   HG21  THR  28          3HG2      THR  28  -8.544  -3.982  -2.759
  182   HG22  THR  28          1HG2      THR  28  -6.946  -3.346  -3.149
  183   HG23  THR  28          2HG2      THR  28  -8.369  -2.322  -3.329
  184    H    ASN  29           H        ASN  29  -6.632  -1.585   0.660
  185    HA   ASN  29           HA       ASN  29  -6.613  -2.548   3.418
  186    HB2  ASN  29           2HB      ASN  29  -5.042  -0.722   1.938
  187    HB3  ASN  29           1HB      ASN  29  -5.916   0.263   3.112
  188   HD21  ASN  29          1HD2      ASN  29  -3.343  -2.050   2.710
  189   HD22  ASN  29          2HD2      ASN  29  -2.910  -2.156   4.359
  190    H    GLY  30           H        GLY  30  -9.216  -2.031   1.931
  191    HA2  GLY  30           2HA      GLY  30 -11.296  -1.253   2.559
  192    HA3  GLY  30           1HA      GLY  30 -10.564  -0.612   4.030
  193    H    MET  31           H        MET  31  -8.968   0.354   1.125
  194    HA   MET  31           HA       MET  31 -10.339   2.969   1.171
  195    HB2  MET  31           2HB      MET  31  -7.400   2.322   0.821
  196    HB3  MET  31           1HB      MET  31  -8.101   3.910   0.498
  197    HG2  MET  31           2HG      MET  31  -8.422   4.385   2.725
  198    HG3  MET  31           1HG      MET  31  -8.770   2.710   3.145
  199    HE1  MET  31           3HE      MET  31  -5.255   3.845   1.204
  200    HE2  MET  31           1HE      MET  31  -4.804   4.836   2.598
  201    HE3  MET  31           2HE      MET  31  -6.344   5.101   1.783
  202    H    CYS  32           H        CYS  32 -10.138   4.151  -0.892
  203    HA   CYS  32           HA       CYS  32 -10.888   2.480  -3.071
  204    HB2  CYS  32           2HB      CYS  32 -11.322   4.565  -4.259
  205    HB3  CYS  32           1HB      CYS  32 -11.957   4.666  -2.626
  206    H    SER  33           H        SER  33  -9.856   3.709  -5.304
  207    HA   SER  33           HA       SER  33  -7.318   2.410  -5.528
  208    HB2  SER  33           2HB      SER  33  -7.560   3.801  -7.869
  209    HB3  SER  33           1HB      SER  33  -8.291   2.241  -7.546
  210    HG   SER  33           HG       SER  33  -9.510   4.491  -8.116
  211    H    VAL  34           H        VAL  34  -8.299   5.817  -5.368
  212    HA   VAL  34           HA       VAL  34  -5.724   6.853  -6.043
  213    HB   VAL  34           HB       VAL  34  -7.835   8.354  -4.484
  214   HG11  VAL  34          1HG1      VAL  34  -6.901  10.245  -5.802
  215   HG12  VAL  34          2HG1      VAL  34  -5.731   9.135  -6.516
  216   HG13  VAL  34          3HG1      VAL  34  -5.687   9.472  -4.785
  217   HG21  VAL  34          3HG2      VAL  34  -9.126   7.524  -6.283
  218   HG22  VAL  34          1HG2      VAL  34  -7.762   7.572  -7.401
  219   HG23  VAL  34          2HG2      VAL  34  -8.540   9.071  -6.893
  220    H    CYS  35           H        CYS  35  -7.433   6.532  -2.951
  221    HA   CYS  35           HA       CYS  35  -5.312   7.535  -1.348
  222    HB2  CYS  35           2HB      CYS  35  -7.646   5.792  -0.527
  223    HB3  CYS  35           1HB      CYS  35  -6.601   6.707   0.560
  224    H    TYR  36           H        TYR  36  -6.217   4.283  -2.396
  225    HA   TYR  36           HA       TYR  36  -4.489   2.907  -0.596
  226    HB2  TYR  36           2HB      TYR  36  -6.411   1.803  -1.658
  227    HB3  TYR  36           1HB      TYR  36  -5.646   1.970  -3.237
  228    HD1  TYR  36           1HD      TYR  36  -4.887   0.613   0.202
  229    HD2  TYR  36           2HD      TYR  36  -4.383   0.182  -4.046
  230    HE1  TYR  36           1HE      TYR  36  -3.675  -1.523   0.559
  231    HE2  TYR  36           2HE      TYR  36  -3.171  -1.953  -3.684
  232    HH   TYR  36           HH       TYR  36  -1.742  -2.870  -1.246
  233    H    LYS  37           H        LYS  37  -3.925   4.476  -3.725
  234    HA   LYS  37           HA       LYS  37  -1.436   3.096  -4.190
  235    HB2  LYS  37           2HB      LYS  37  -3.092   4.323  -5.880
  236    HB3  LYS  37           1HB      LYS  37  -2.082   5.714  -5.489
  237    HG2  LYS  37           2HG      LYS  37  -0.169   4.766  -6.418
  238    HG3  LYS  37           1HG      LYS  37  -0.747   3.117  -6.181
  239    HD2  LYS  37           2HD      LYS  37  -0.990   3.388  -8.490
  240    HD3  LYS  37           1HD      LYS  37  -2.602   3.796  -7.902
  241    HE2  LYS  37           2HE      LYS  37  -2.224   6.124  -8.147
  242    HE3  LYS  37           1HE      LYS  37  -0.478   5.908  -8.273
  243    HZ1  LYS  37           3HZ      LYS  37  -2.542   5.172 -10.268
  244    HZ2  LYS  37           1HZ      LYS  37  -0.940   4.619 -10.356
  245    HZ3  LYS  37           2HZ      LYS  37  -1.270   6.284 -10.446
  246    H    GLU  38           H        GLU  38  -2.458   6.309  -3.067
  247    HA   GLU  38           HA       GLU  38   0.141   7.375  -2.679
  248    HB2  GLU  38           2HB      GLU  38  -2.548   8.065  -1.488
  249    HB3  GLU  38           1HB      GLU  38  -1.088   8.985  -1.130
  250    HG2  GLU  38           2HG      GLU  38  -1.536   8.500  -4.021
  251    HG3  GLU  38           1HG      GLU  38  -2.783   9.480  -3.250
  252    H    HIS  39           H        HIS  39  -2.064   5.576  -0.566
  253    HA   HIS  39           HA       HIS  39  -0.585   5.850   1.836
  254    HB2  HIS  39           2HB      HIS  39  -3.002   5.058   1.532
  255    HB3  HIS  39           1HB      HIS  39  -2.316   3.487   1.105
  256    HD1  HIS  39           1HD      HIS  39  -2.070   6.021   3.946
  257    HD2  HIS  39           2HD      HIS  39  -1.802   1.909   3.309
  258    HE1  HIS  39           1HE      HIS  39  -1.840   4.958   6.225
  259    HE2  HIS  39           2HE      HIS  39  -1.637   2.453   5.861
  260    H    LEU  40           H        LEU  40  -0.557   3.396  -0.731
  261    HA   LEU  40           HA       LEU  40   1.271   1.656   0.600
  262    HB2  LEU  40           2HB      LEU  40  -0.356   1.520  -1.670
  263    HB3  LEU  40           1HB      LEU  40   1.274   1.369  -2.312
  264    HG   LEU  40           HG       LEU  40   1.685  -0.419  -0.559
  265   HD11  LEU  40          1HD1      LEU  40  -1.323  -0.142  -0.229
  266   HD12  LEU  40          2HD1      LEU  40  -0.112   0.231   0.998
  267   HD13  LEU  40          3HD1      LEU  40  -0.343  -1.435   0.464
  268   HD21  LEU  40          3HD2      LEU  40   0.714  -2.125  -1.889
  269   HD22  LEU  40          1HD2      LEU  40   0.914  -0.778  -3.007
  270   HD23  LEU  40          2HD2      LEU  40  -0.671  -1.123  -2.315
  271    H    GLN  41           H        GLN  41   1.739   4.165  -1.914
  272    HA   GLN  41           HA       GLN  41   4.484   3.595  -2.338
  273    HB2  GLN  41           2HB      GLN  41   4.606   5.805  -3.400
  274    HB3  GLN  41           1HB      GLN  41   3.187   4.915  -3.939
  275    HG2  GLN  41           2HG      GLN  41   1.794   6.172  -2.319
  276    HG3  GLN  41           1HG      GLN  41   3.223   7.078  -1.810
  277   HE21  GLN  41          1HE2      GLN  41   4.075   8.695  -3.267
  278   HE22  GLN  41          2HE2      GLN  41   3.212   9.201  -4.652
  279    H    ARG  42           H        ARG  42   2.811   5.649  -0.017
  280    HA   ARG  42           HA       ARG  42   5.222   6.839   1.029
  281    HB2  ARG  42           2HB      ARG  42   2.766   7.760   1.082
  282    HB3  ARG  42           1HB      ARG  42   2.628   6.779   2.542
  283    HG2  ARG  42           2HG      ARG  42   4.397   7.960   3.624
  284    HG3  ARG  42           1HG      ARG  42   4.905   8.726   2.121
  285    HD2  ARG  42           2HD      ARG  42   2.350   9.615   2.223
  286    HD3  ARG  42           1HD      ARG  42   2.660   9.429   3.947
  287    HE   ARG  42           HE       ARG  42   4.854  10.792   3.006
  288   HH11  ARG  42          1HH2      ARG  42   1.386  11.354   2.884
  289   HH12  ARG  42          2HH2      ARG  42   1.560  13.072   2.893
  290   HH21  ARG  42          1HH1      ARG  42   5.012  13.042   2.996
  291   HH22  ARG  42          2HH1      ARG  42   3.582  14.020   2.954
  292    H    GLN  43           H        GLN  43   3.309   3.984   1.702
  293    HA   GLN  43           HA       GLN  43   4.435   3.462   4.306
  294    HB2  GLN  43           2HB      GLN  43   2.175   2.641   3.453
  295    HB3  GLN  43           1HB      GLN  43   3.071   1.472   2.486
  296    HG2  GLN  43           2HG      GLN  43   4.147   0.608   4.541
  297    HG3  GLN  43           1HG      GLN  43   3.219   1.756   5.500
  298   HE21  GLN  43          1HE2      GLN  43   1.217   1.032   6.237
  299   HE22  GLN  43          2HE2      GLN  43   0.387  -0.314   5.618
  300    H    GLN  44           H        GLN  44   5.109   2.451   0.985
  301    HA   GLN  44           HA       GLN  44   7.039   0.451   1.741
  302    HB2  GLN  44           2HB      GLN  44   7.481   0.234  -0.653
  303    HB3  GLN  44           1HB      GLN  44   5.746   0.257  -0.346
  304    HG2  GLN  44           2HG      GLN  44   5.693   2.670  -0.950
  305    HG3  GLN  44           1HG      GLN  44   7.418   2.606  -1.300
  306   HE21  GLN  44          1HE2      GLN  44   4.265   1.266  -2.336
  307   HE22  GLN  44          2HE2      GLN  44   4.776   0.872  -3.916
  308    H    ASN  45           H        ASN  45   7.224   3.878   1.174
  309    HA   ASN  45           HA       ASN  45   9.866   4.176   0.317
  310    HB2  ASN  45           2HB      ASN  45   8.056   5.964   0.549
  311    HB3  ASN  45           1HB      ASN  45   8.531   6.067   2.244
  312   HD21  ASN  45          1HD2      ASN  45   9.063   7.603  -0.619
  313   HD22  ASN  45          2HD2      ASN  45  10.659   8.146  -0.362
  314    H    SER  46           H        SER  46   8.617   3.789   3.627
  315    HA   SER  46           HA       SER  46  11.384   3.293   4.538
  316    HB2  SER  46           2HB      SER  46  10.576   5.636   5.115
  317    HB3  SER  46           1HB      SER  46   9.384   4.868   6.160
  318    HG   SER  46           HG       SER  46  10.907   4.476   7.548
  319    H    GLY  47           H        GLY  47   7.983   3.233   5.657
  320    HA2  GLY  47           2HA      GLY  47   6.756   1.554   6.654
  321    HA3  GLY  47           1HA      GLY  47   8.017   0.421   6.168
  322    H    ARG  48           H        ARG  48   8.000   3.282   8.316
  323    HA   ARG  48           HA       ARG  48   9.113   1.581  10.480
  324    HB2  ARG  48           2HB      ARG  48  10.647   3.346   9.425
  325    HB3  ARG  48           1HB      ARG  48   9.601   4.542  10.189
  326    HG2  ARG  48           2HG      ARG  48  10.077   3.671  12.387
  327    HG3  ARG  48           1HG      ARG  48  10.913   2.272  11.710
  328    HD2  ARG  48           2HD      ARG  48  11.800   5.158  11.431
  329    HD3  ARG  48           1HD      ARG  48  12.524   3.966  12.505
  330    HE   ARG  48           HE       ARG  48  12.668   2.799  10.031
  331   HH11  ARG  48          1HH2      ARG  48  13.744   5.892  11.319
  332   HH12  ARG  48          2HH2      ARG  48  15.078   5.996  10.225
  333   HH21  ARG  48          1HH1      ARG  48  14.414   2.998   8.638
  334   HH22  ARG  48          2HH1      ARG  48  15.453   4.380   8.722
  335    H    MET  49           H        MET  49   8.547   2.231  12.666
  336    HA   MET  49           HA       MET  49   5.775   2.877  12.937
  337    HB2  MET  49           2HB      MET  49   7.957   2.722  15.036
  338    HB3  MET  49           1HB      MET  49   6.225   2.796  15.363
  339    HG2  MET  49           2HG      MET  49   5.872   0.690  14.173
  340    HG3  MET  49           1HG      MET  49   7.581   0.620  13.740
  341    HE1  MET  49           3HE      MET  49   7.234  -2.245  16.313
  342    HE2  MET  49           1HE      MET  49   7.781  -1.760  14.704
  343    HE3  MET  49           2HE      MET  49   6.065  -1.721  15.103
  344    H    SER  50           H        SER  50   5.009   4.878  12.600
  345    HA   SER  50           HA       SER  50   6.260   7.117  14.014
  346    HB2  SER  50           2HB      SER  50   6.133   8.515  11.932
  347    HB3  SER  50           1HB      SER  50   7.357   7.251  11.883
  348    HG   SER  50           HG       SER  50   6.310   6.920  10.035
  349    HA   PRO  51           HA       PRO  51   2.051   8.330  14.656
  350    HB2  PRO  51           2HB      PRO  51   2.188  11.079  14.600
  351    HB3  PRO  51           1HB      PRO  51   2.750  10.091  15.962
  352    HG2  PRO  51           2HG      PRO  51   4.317  11.341  13.762
  353    HG3  PRO  51           1HG      PRO  51   4.696  11.215  15.488
  354    HD2  PRO  51           2HD      PRO  51   5.821   9.576  13.639
  355    HD3  PRO  51           1HD      PRO  51   5.481   9.043  15.299
  356    H    MET  52           H        MET  52   0.180   9.490  13.696
  357    HA   MET  52           HA       MET  52   0.018   9.104  10.894
  358    HB2  MET  52           2HB      MET  52  -2.215  10.205  11.096
  359    HB3  MET  52           1HB      MET  52  -1.979   8.895  12.248
  360    HG2  MET  52           2HG      MET  52  -1.546  10.452  14.042
  361    HG3  MET  52           1HG      MET  52  -1.489  11.810  12.922
  362    HE1  MET  52           3HE      MET  52  -3.256  10.950  15.649
  363    HE2  MET  52           1HE      MET  52  -4.724  11.885  15.331
  364    HE3  MET  52           2HE      MET  52  -3.140  12.604  15.051
  365    H    GLY  53           H        GLY  53   0.654  11.948  12.875
  366    HA2  GLY  53           2HA      GLY  53   1.798  13.873  12.174
  367    HA3  GLY  53           1HA      GLY  53   1.536  13.395  10.501
  368    H    THR  54           H        THR  54  -0.872  13.408   9.838
  369    HA   THR  54           HA       THR  54  -1.889  16.063  10.379
  370    HB   THR  54           HB       THR  54  -3.277  13.954   8.737
  371    HG1  THR  54           1HG      THR  54  -1.134  15.649   7.977
  372   HG21  THR  54          3HG2      THR  54  -4.166  15.837   7.557
  373   HG22  THR  54          1HG2      THR  54  -3.024  16.940   8.326
  374   HG23  THR  54          2HG2      THR  54  -4.321  16.213   9.274
  375    H    ALA  55           H        ALA  55  -3.676  16.626  11.522
  376    HA   ALA  55           HA       ALA  55  -4.698  14.758  13.455
  377    HB1  ALA  55           1HB      ALA  55  -4.485  17.022  14.176
  378    HB2  ALA  55           2HB      ALA  55  -6.216  16.716  14.037
  379    HB3  ALA  55           3HB      ALA  55  -5.377  17.622  12.779
  380    H    SER  56           H        SER  56  -7.031  14.362  13.761
  381    HA   SER  56           HA       SER  56  -8.267  13.606  11.236
  382    HB2  SER  56           2HB      SER  56  -8.185  12.140  13.330
  383    HB3  SER  56           1HB      SER  56  -9.410  13.213  14.002
  384    HG   SER  56           HG       SER  56 -10.820  12.223  12.813
  385    H    GLY  57           H        GLY  57 -10.851  13.830  11.413
  386    HA2  GLY  57           2HA      GLY  57 -12.699  15.217  11.439
  387    HA3  GLY  57           1HA      GLY  57 -11.819  16.299  12.515
  388    H    SER  58           H        SER  58 -11.109  15.167   9.202
  389    HA   SER  58           HA       SER  58 -10.497  17.897   8.390
  390    HB2  SER  58           2HB      SER  58  -9.749  16.857   6.294
  391    HB3  SER  58           1HB      SER  58  -9.025  16.055   7.685
  392    HG   SER  58           HG       SER  58  -9.958  14.645   6.042
  393    H    ASN  59           H        ASN  59 -12.852  15.349   7.651
  394    HA   ASN  59           HA       ASN  59 -14.239  16.980   5.695
  395    HB2  ASN  59           2HB      ASN  59 -14.710  14.250   6.881
  396    HB3  ASN  59           1HB      ASN  59 -15.906  15.029   5.845
  397   HD21  ASN  59          1HD2      ASN  59 -12.907  13.281   5.860
  398   HD22  ASN  59          2HD2      ASN  59 -12.610  13.367   4.191
  399    H    SER  60           H        SER  60 -15.775  18.419   6.145
  400    HA   SER  60           HA       SER  60 -17.645  18.023   8.320
  401    HB2  SER  60           2HB      SER  60 -15.713  20.353   8.373
  402    HB3  SER  60           1HB      SER  60 -17.127  20.191   9.410
  403    HG   SER  60           HG       SER  60 -15.472  19.340  10.561
  404    HA   PRO  61           HA       PRO  61 -20.382  20.236   5.641
  405    HB2  PRO  61           2HB      PRO  61 -21.234  21.977   7.902
  406    HB3  PRO  61           1HB      PRO  61 -22.203  20.913   6.867
  407    HG2  PRO  61           2HG      PRO  61 -21.642  20.277   9.391
  408    HG3  PRO  61           1HG      PRO  61 -21.738  19.049   8.116
  409    HD2  PRO  61           2HD      PRO  61 -19.313  20.210   9.436
  410    HD3  PRO  61           1HD      PRO  61 -19.597  18.556   8.848
  411    H    THR  62           H        THR  62 -20.237  21.955   4.259
  412    HA   THR  62           HA       THR  62 -18.140  23.890   4.686
  413    HB   THR  62           HB       THR  62 -18.459  23.001   2.450
  414    HG1  THR  62           1HG      THR  62 -18.548  24.961   1.374
  415   HG21  THR  62          3HG2      THR  62 -20.634  23.918   1.258
  416   HG22  THR  62          1HG2      THR  62 -21.279  23.910   2.898
  417   HG23  THR  62          2HG2      THR  62 -20.688  22.413   2.175
  Start of MODEL    6
    1    H1   GLY   1           1HT      GLY   1 -28.872 -18.380   5.906
    2    H2   GLY   1           2HT      GLY   1 -29.910 -19.425   5.060
    3    H3   GLY   1           3HT      GLY   1 -30.463 -17.900   5.568
    4    HA2  GLY   1           2HA      GLY   1 -28.468 -18.495   3.457
    5    HA3  GLY   1           1HA      GLY   1 -30.037 -17.710   3.265
    6    H    SER   2           H        SER   2 -30.351 -15.619   4.385
    7    HA   SER   2           HA       SER   2 -27.851 -14.155   4.949
    8    HB2  SER   2           2HB      SER   2 -28.518 -13.748   2.579
    9    HB3  SER   2           1HB      SER   2 -30.059 -13.122   3.153
   10    HG   SER   2           HG       SER   2 -28.667 -11.404   2.907
   11    H    MET   3           H        MET   3 -28.161 -13.723   7.068
   12    HA   MET   3           HA       MET   3 -30.792 -12.737   7.964
   13    HB2  MET   3           2HB      MET   3 -28.388 -13.719   9.522
   14    HB3  MET   3           1HB      MET   3 -29.888 -13.138  10.245
   15    HG2  MET   3           2HG      MET   3 -31.156 -14.919   9.221
   16    HG3  MET   3           1HG      MET   3 -29.764 -15.426   8.264
   17    HE1  MET   3           3HE      MET   3 -30.749 -14.766  12.157
   18    HE2  MET   3           1HE      MET   3 -30.966 -16.500  12.441
   19    HE3  MET   3           2HE      MET   3 -31.837 -15.700  11.134
   20    H    ALA   4           H        ALA   4 -30.739 -10.595   7.295
   21    HA   ALA   4           HA       ALA   4 -28.607  -8.899   8.468
   22    HB1  ALA   4           1HB      ALA   4 -30.337  -8.155   6.113
   23    HB2  ALA   4           2HB      ALA   4 -28.815  -9.024   5.924
   24    HB3  ALA   4           3HB      ALA   4 -28.827  -7.412   6.638
   25    H    GLN   5           H        GLN   5 -32.086  -9.242   7.916
   26    HA   GLN   5           HA       GLN   5 -32.859  -6.749   9.034
   27    HB2  GLN   5           2HB      GLN   5 -34.389  -9.340   8.721
   28    HB3  GLN   5           1HB      GLN   5 -35.113  -7.812   9.223
   29    HG2  GLN   5           2HG      GLN   5 -34.609  -6.772   7.140
   30    HG3  GLN   5           1HG      GLN   5 -33.521  -8.076   6.669
   31   HE21  GLN   5          1HE2      GLN   5 -34.667 -10.326   6.503
   32   HE22  GLN   5          2HE2      GLN   5 -36.240 -10.322   5.844
   33    H    GLU   6           H        GLU   6 -32.265  -9.932  10.444
   34    HA   GLU   6           HA       GLU   6 -33.141  -8.974  13.079
   35    HB2  GLU   6           2HB      GLU   6 -32.363 -11.712  12.055
   36    HB3  GLU   6           1HB      GLU   6 -32.762 -11.373  13.740
   37    HG2  GLU   6           2HG      GLU   6 -34.637 -10.549  11.534
   38    HG3  GLU   6           1HG      GLU   6 -34.665 -12.196  12.162
   39    H    THR   7           H        THR   7 -31.014  -7.535  12.412
   40    HA   THR   7           HA       THR   7 -28.951  -8.510  14.250
   41    HB   THR   7           HB       THR   7 -27.133  -7.953  12.696
   42    HG1  THR   7           1HG      THR   7 -28.129  -6.454  11.403
   43   HG21  THR   7          3HG2      THR   7 -29.090  -9.837  11.364
   44   HG22  THR   7          1HG2      THR   7 -28.131 -10.267  12.780
   45   HG23  THR   7          2HG2      THR   7 -27.330  -9.875  11.259
   46    H    ASN   8           H        ASN   8 -27.621  -6.817  15.105
   47    HA   ASN   8           HA       ASN   8 -28.997  -4.342  15.473
   48    HB2  ASN   8           2HB      ASN   8 -26.226  -5.280  16.220
   49    HB3  ASN   8           1HB      ASN   8 -26.822  -3.670  16.620
   50   HD21  ASN   8          1HD2      ASN   8 -26.301  -6.403  18.183
   51   HD22  ASN   8          2HD2      ASN   8 -27.680  -6.497  19.183
   52    H    GLN   9           H        GLN   9 -25.986  -5.209  13.771
   53    HA   GLN   9           HA       GLN   9 -26.253  -2.720  12.182
   54    HB2  GLN   9           2HB      GLN   9 -23.756  -2.812  11.936
   55    HB3  GLN   9           1HB      GLN   9 -24.300  -2.492  13.581
   56    HG2  GLN   9           2HG      GLN   9 -23.943  -4.829  14.194
   57    HG3  GLN   9           1HG      GLN   9 -23.513  -5.230  12.531
   58   HE21  GLN   9          1HE2      GLN   9 -22.078  -4.730  15.450
   59   HE22  GLN   9          2HE2      GLN   9 -20.593  -4.066  14.938
   60    H    THR  10           H        THR  10 -24.856  -2.986  10.076
   61    HA   THR  10           HA       THR  10 -25.126  -5.699   8.972
   62    HB   THR  10           HB       THR  10 -26.208  -4.760   6.935
   63    HG1  THR  10           1HG      THR  10 -26.440  -2.449   8.563
   64   HG21  THR  10          3HG2      THR  10 -27.797  -4.087   9.415
   65   HG22  THR  10          1HG2      THR  10 -27.466  -5.748   8.923
   66   HG23  THR  10          2HG2      THR  10 -28.403  -4.687   7.871
   67    HA   PRO  11           HA       PRO  11 -21.084  -3.809   7.770
   68    HB2  PRO  11           2HB      PRO  11 -20.180  -6.619   7.662
   69    HB3  PRO  11           1HB      PRO  11 -19.533  -5.265   8.606
   70    HG2  PRO  11           2HG      PRO  11 -20.858  -7.306   9.737
   71    HG3  PRO  11           1HG      PRO  11 -20.928  -5.652  10.371
   72    HD2  PRO  11           2HD      PRO  11 -22.962  -7.124   8.723
   73    HD3  PRO  11           1HD      PRO  11 -23.209  -6.017  10.093
   74    H    GLY  12           H        GLY  12 -20.405  -3.465   5.686
   75    HA2  GLY  12           2HA      GLY  12 -20.248  -5.272   3.596
   76    HA3  GLY  12           1HA      GLY  12 -21.877  -4.602   3.513
   77    HA   PRO  13           HA       PRO  13 -20.392  -0.918   1.585
   78    HB2  PRO  13           2HB      PRO  13 -21.114   1.240   3.129
   79    HB3  PRO  13           1HB      PRO  13 -22.250   0.308   2.132
   80    HG2  PRO  13           2HG      PRO  13 -21.775   0.208   5.060
   81    HG3  PRO  13           1HG      PRO  13 -23.283   0.027   4.144
   82    HD2  PRO  13           2HD      PRO  13 -21.882  -2.087   5.210
   83    HD3  PRO  13           1HD      PRO  13 -22.960  -2.223   3.802
   84    H    MET  14           H        MET  14 -18.163  -1.712   2.083
   85    HA   MET  14           HA       MET  14 -16.659  -0.540   4.214
   86    HB2  MET  14           2HB      MET  14 -15.949  -2.130   1.757
   87    HB3  MET  14           1HB      MET  14 -14.688  -1.394   2.747
   88    HG2  MET  14           2HG      MET  14 -16.857  -3.150   3.920
   89    HG3  MET  14           1HG      MET  14 -15.316  -3.794   3.354
   90    HE1  MET  14           3HE      MET  14 -15.034  -4.572   6.404
   91    HE2  MET  14           1HE      MET  14 -13.398  -3.920   6.239
   92    HE3  MET  14           2HE      MET  14 -14.208  -4.639   4.850
   93    H    LEU  15           H        LEU  15 -17.192   1.697   3.956
   94    HA   LEU  15           HA       LEU  15 -16.443   3.142   1.586
   95    HB2  LEU  15           2HB      LEU  15 -17.950   3.654   3.941
   96    HB3  LEU  15           1HB      LEU  15 -16.654   4.843   3.925
   97    HG   LEU  15           HG       LEU  15 -17.280   5.425   1.569
   98   HD11  LEU  15          1HD1      LEU  15 -19.670   4.656   0.943
   99   HD12  LEU  15          2HD1      LEU  15 -19.430   3.383   2.139
  100   HD13  LEU  15          3HD1      LEU  15 -18.363   3.491   0.738
  101   HD21  LEU  15          3HD2      LEU  15 -19.233   5.684   3.847
  102   HD22  LEU  15          1HD2      LEU  15 -19.601   6.395   2.275
  103   HD23  LEU  15          2HD2      LEU  15 -18.162   6.906   3.166
  104    H    CYS  16           H        CYS  16 -14.655   4.455   1.236
  105    HA   CYS  16           HA       CYS  16 -12.168   3.673   1.966
  106    HB2  CYS  16           2HB      CYS  16 -12.876   5.420   0.238
  107    HB3  CYS  16           1HB      CYS  16 -12.751   6.594   1.555
  108    H    SER  17           H        SER  17 -10.807   3.803   3.577
  109    HA   SER  17           HA       SER  17 -11.597   4.652   6.168
  110    HB2  SER  17           2HB      SER  17  -8.815   4.039   5.147
  111    HB3  SER  17           1HB      SER  17  -9.301   4.124   6.841
  112    HG   SER  17           HG       SER  17 -10.651   2.373   6.502
  113    H    THR  18           H        THR  18  -9.733   6.233   3.626
  114    HA   THR  18           HA       THR  18  -8.750   8.352   5.282
  115    HB   THR  18           HB       THR  18  -8.147   9.441   3.142
  116    HG1  THR  18           1HG      THR  18  -9.446   8.928   1.585
  117   HG21  THR  18          3HG2      THR  18  -7.515   6.478   3.236
  118   HG22  THR  18          1HG2      THR  18  -6.692   7.715   4.183
  119   HG23  THR  18          2HG2      THR  18  -6.561   7.720   2.424
  120    H    GLY  19           H        GLY  19 -11.881   7.772   3.972
  121    HA2  GLY  19           2HA      GLY  19 -13.805   9.024   4.193
  122    HA3  GLY  19           1HA      GLY  19 -12.854  10.268   5.002
  123    H    CYS  20           H        CYS  20 -12.476   8.901   1.722
  124    HA   CYS  20           HA       CYS  20 -12.372  11.600   0.656
  125    HB2  CYS  20           2HB      CYS  20 -11.644  10.582  -1.424
  126    HB3  CYS  20           1HB      CYS  20 -10.728   9.911  -0.077
  127    H    GLY  21           H        GLY  21 -14.839   9.245   1.079
  128    HA2  GLY  21           2HA      GLY  21 -17.123   9.732   0.681
  129    HA3  GLY  21           1HA      GLY  21 -16.639  10.874  -0.568
  130    H    PHE  22           H        PHE  22 -14.895   8.029  -1.044
  131    HA   PHE  22           HA       PHE  22 -16.863   7.064  -3.022
  132    HB2  PHE  22           2HB      PHE  22 -13.836   7.030  -3.077
  133    HB3  PHE  22           1HB      PHE  22 -14.870   6.240  -4.280
  134    HD1  PHE  22           1HD      PHE  22 -16.774   7.772  -5.292
  135    HD2  PHE  22           2HD      PHE  22 -13.184   9.245  -3.453
  136    HE1  PHE  22           1HE      PHE  22 -17.059   9.936  -6.470
  137    HE2  PHE  22           2HE      PHE  22 -13.468  11.411  -4.631
  138    HZ   PHE  22           HZ       PHE  22 -15.409  11.753  -6.140
  139    H    TYR  23           H        TYR  23 -16.693   4.729  -3.533
  140    HA   TYR  23           HA       TYR  23 -16.901   3.162  -1.165
  141    HB2  TYR  23           2HB      TYR  23 -17.975   2.875  -3.564
  142    HB3  TYR  23           1HB      TYR  23 -16.535   1.902  -3.864
  143    HD1  TYR  23           2HD      TYR  23 -19.187   2.377  -1.258
  144    HD2  TYR  23           1HD      TYR  23 -16.604  -0.372  -3.310
  145    HE1  TYR  23           2HE      TYR  23 -20.242   0.488  -0.048
  146    HE2  TYR  23           1HE      TYR  23 -17.662  -2.267  -2.106
  147    HH   TYR  23           HH       TYR  23 -19.860  -2.730  -0.972
  148    H    GLY  24           H        GLY  24 -15.559   1.570  -0.328
  149    HA2  GLY  24           2HA      GLY  24 -12.745   1.633  -1.269
  150    HA3  GLY  24           1HA      GLY  24 -13.248   1.324   0.395
  151    H    ASN  25           H        ASN  25 -11.532  -0.393  -1.028
  152    HA   ASN  25           HA       ASN  25 -13.223  -2.747  -1.614
  153    HB2  ASN  25           2HB      ASN  25 -11.379  -1.770  -3.232
  154    HB3  ASN  25           1HB      ASN  25 -10.292  -2.675  -2.189
  155   HD21  ASN  25          1HD2      ASN  25  -9.966  -3.933  -4.308
  156   HD22  ASN  25          2HD2      ASN  25 -11.042  -5.216  -4.632
  157    HA   PRO  26           HA       PRO  26 -11.647  -4.126   2.417
  158    HB2  PRO  26           2HB      PRO  26 -12.866  -6.566   2.476
  159    HB3  PRO  26           1HB      PRO  26 -13.688  -5.043   2.863
  160    HG2  PRO  26           2HG      PRO  26 -13.710  -6.602   0.317
  161    HG3  PRO  26           1HG      PRO  26 -15.057  -5.829   1.169
  162    HD2  PRO  26           2HD      PRO  26 -13.876  -4.669  -0.979
  163    HD3  PRO  26           1HD      PRO  26 -14.526  -3.710   0.369
  164    H    ARG  27           H        ARG  27 -11.215  -5.664  -0.693
  165    HA   ARG  27           HA       ARG  27  -9.392  -7.716   0.193
  166    HB2  ARG  27           2HB      ARG  27 -10.088  -6.553  -2.508
  167    HB3  ARG  27           1HB      ARG  27  -8.840  -7.780  -2.301
  168    HG2  ARG  27           2HG      ARG  27 -10.543  -9.236  -1.169
  169    HG3  ARG  27           1HG      ARG  27 -11.771  -8.035  -1.569
  170    HD2  ARG  27           2HD      ARG  27 -11.959  -9.487  -3.380
  171    HD3  ARG  27           1HD      ARG  27 -10.826  -8.299  -4.010
  172    HE   ARG  27           HE       ARG  27  -9.374 -10.366  -2.733
  173   HH11  ARG  27          1HH2      ARG  27 -11.344  -9.875  -5.610
  174   HH12  ARG  27          2HH2      ARG  27 -10.488 -11.070  -6.521
  175   HH21  ARG  27          1HH1      ARG  27  -8.303 -11.900  -3.979
  176   HH22  ARG  27          2HH1      ARG  27  -8.787 -12.196  -5.614
  177    H    THR  28           H        THR  28  -9.230  -4.391  -0.881
  178    HA   THR  28           HA       THR  28  -6.328  -4.347  -1.131
  179    HB   THR  28           HB       THR  28  -6.622  -1.947  -1.564
  180    HG1  THR  28           1HG      THR  28  -8.581  -0.984  -1.279
  181   HG21  THR  28          3HG2      THR  28  -8.343  -3.942  -2.960
  182   HG22  THR  28          1HG2      THR  28  -7.023  -2.954  -3.588
  183   HG23  THR  28          2HG2      THR  28  -8.612  -2.238  -3.326
  184    H    ASN  29           H        ASN  29  -6.017  -1.743   0.298
  185    HA   ASN  29           HA       ASN  29  -5.693  -2.839   2.978
  186    HB2  ASN  29           2HB      ASN  29  -4.644  -0.452   1.494
  187    HB3  ASN  29           1HB      ASN  29  -4.549  -0.500   3.257
  188   HD21  ASN  29          1HD2      ASN  29  -2.444  -1.136   3.784
  189   HD22  ASN  29          2HD2      ASN  29  -1.620  -2.435   3.044
  190    H    GLY  30           H        GLY  30  -8.442  -2.030   1.951
  191    HA2  GLY  30           2HA      GLY  30 -10.305  -1.265   3.119
  192    HA3  GLY  30           1HA      GLY  30  -9.225  -0.494   4.283
  193    H    MET  31           H        MET  31  -8.304   0.236   1.072
  194    HA   MET  31           HA       MET  31  -9.725   2.827   1.181
  195    HB2  MET  31           2HB      MET  31  -6.870   2.112   0.619
  196    HB3  MET  31           1HB      MET  31  -7.572   3.520  -0.182
  197    HG2  MET  31           2HG      MET  31  -6.625   4.352   1.813
  198    HG3  MET  31           1HG      MET  31  -8.348   4.261   2.147
  199    HE1  MET  31           3HE      MET  31  -5.720   4.529   3.618
  200    HE2  MET  31           1HE      MET  31  -4.816   3.030   3.876
  201    HE3  MET  31           2HE      MET  31  -5.893   3.642   5.130
  202    H    CYS  32           H        CYS  32  -9.990   3.878  -0.899
  203    HA   CYS  32           HA       CYS  32 -11.041   2.094  -2.866
  204    HB2  CYS  32           2HB      CYS  32 -11.728   4.126  -4.045
  205    HB3  CYS  32           1HB      CYS  32 -12.085   4.277  -2.332
  206    H    SER  33           H        SER  33 -10.242   3.576  -5.270
  207    HA   SER  33           HA       SER  33  -7.844   2.118  -5.835
  208    HB2  SER  33           2HB      SER  33  -8.199   3.700  -8.034
  209    HB3  SER  33           1HB      SER  33  -9.003   2.164  -7.762
  210    HG   SER  33           HG       SER  33 -10.311   4.154  -8.257
  211    H    VAL  34           H        VAL  34  -8.589   5.613  -5.708
  212    HA   VAL  34           HA       VAL  34  -5.941   6.451  -6.326
  213    HB   VAL  34           HB       VAL  34  -8.023   8.078  -4.851
  214   HG11  VAL  34          1HG1      VAL  34  -5.673   8.708  -6.649
  215   HG12  VAL  34          2HG1      VAL  34  -5.922   9.209  -4.977
  216   HG13  VAL  34          3HG1      VAL  34  -6.919   9.895  -6.259
  217   HG21  VAL  34          3HG2      VAL  34  -9.314   7.434  -6.670
  218   HG22  VAL  34          1HG2      VAL  34  -7.915   7.143  -7.700
  219   HG23  VAL  34          2HG2      VAL  34  -8.460   8.794  -7.398
  220    H    CYS  35           H        CYS  35  -7.703   6.429  -3.221
  221    HA   CYS  35           HA       CYS  35  -5.626   7.410  -1.618
  222    HB2  CYS  35           2HB      CYS  35  -7.904   5.561  -0.874
  223    HB3  CYS  35           1HB      CYS  35  -6.880   6.415   0.282
  224    H    TYR  36           H        TYR  36  -6.345   4.094  -2.609
  225    HA   TYR  36           HA       TYR  36  -4.669   2.720  -0.852
  226    HB2  TYR  36           2HB      TYR  36  -6.330   1.590  -2.218
  227    HB3  TYR  36           1HB      TYR  36  -5.449   2.005  -3.686
  228    HD1  TYR  36           1HD      TYR  36  -4.081   0.744  -0.405
  229    HD2  TYR  36           2HD      TYR  36  -4.818  -0.083  -4.557
  230    HE1  TYR  36           1HE      TYR  36  -2.788  -1.361  -0.217
  231    HE2  TYR  36           2HE      TYR  36  -3.528  -2.188  -4.365
  232    HH   TYR  36           HH       TYR  36  -2.983  -3.816  -2.207
  233    H    LYS  37           H        LYS  37  -3.872   3.956  -4.102
  234    HA   LYS  37           HA       LYS  37  -1.157   3.049  -3.953
  235    HB2  LYS  37           2HB      LYS  37  -0.787   4.355  -6.008
  236    HB3  LYS  37           1HB      LYS  37  -2.224   3.348  -6.136
  237    HG2  LYS  37           2HG      LYS  37  -3.634   5.308  -5.590
  238    HG3  LYS  37           1HG      LYS  37  -2.191   6.315  -5.500
  239    HD2  LYS  37           2HD      LYS  37  -1.680   5.584  -7.880
  240    HD3  LYS  37           1HD      LYS  37  -3.307   4.899  -7.923
  241    HE2  LYS  37           2HE      LYS  37  -4.146   7.195  -7.187
  242    HE3  LYS  37           1HE      LYS  37  -2.524   7.794  -7.534
  243    HZ1  LYS  37           3HZ      LYS  37  -3.928   8.088  -9.447
  244    HZ2  LYS  37           1HZ      LYS  37  -4.352   6.446  -9.446
  245    HZ3  LYS  37           2HZ      LYS  37  -2.755   6.907  -9.795
  246    H    GLU  38           H        GLU  38  -2.767   6.173  -3.506
  247    HA   GLU  38           HA       GLU  38  -0.561   7.812  -3.118
  248    HB2  GLU  38           2HB      GLU  38  -3.366   7.867  -2.051
  249    HB3  GLU  38           1HB      GLU  38  -2.194   9.087  -1.543
  250    HG2  GLU  38           2HG      GLU  38  -2.629   8.455  -4.463
  251    HG3  GLU  38           1HG      GLU  38  -3.649   9.621  -3.614
  252    H    HIS  39           H        HIS  39  -2.175   5.702  -0.726
  253    HA   HIS  39           HA       HIS  39  -0.366   6.654   1.351
  254    HB2  HIS  39           2HB      HIS  39  -1.659   5.503   2.924
  255    HB3  HIS  39           1HB      HIS  39  -2.821   6.093   1.746
  256    HD1  HIS  39           1HD      HIS  39  -4.597   4.394   1.525
  257    HD2  HIS  39           2HD      HIS  39  -0.860   2.586   1.845
  258    HE1  HIS  39           1HE      HIS  39  -4.998   1.896   1.438
  259    HE2  HIS  39           2HE      HIS  39  -2.724   0.782   1.609
  260    H    LEU  40           H        LEU  40  -0.675   3.846  -0.716
  261    HA   LEU  40           HA       LEU  40   1.103   2.101   0.623
  262    HB2  LEU  40           2HB      LEU  40  -0.480   1.539  -1.286
  263    HB3  LEU  40           1HB      LEU  40   0.724   2.239  -2.371
  264    HG   LEU  40           HG       LEU  40   2.406   0.651  -1.258
  265   HD11  LEU  40          1HD1      LEU  40   1.233  -1.435  -0.347
  266   HD12  LEU  40          2HD1      LEU  40  -0.221  -0.442  -0.228
  267   HD13  LEU  40          3HD1      LEU  40   1.216  -0.018   0.702
  268   HD21  LEU  40          3HD2      LEU  40   0.243  -0.896  -2.665
  269   HD22  LEU  40          1HD2      LEU  40   1.990  -0.959  -2.898
  270   HD23  LEU  40          2HD2      LEU  40   1.067   0.405  -3.526
  271    H    GLN  41           H        GLN  41   1.675   4.801  -1.547
  272    HA   GLN  41           HA       GLN  41   4.364   4.219  -2.226
  273    HB2  GLN  41           2HB      GLN  41   2.575   6.605  -2.339
  274    HB3  GLN  41           1HB      GLN  41   4.305   6.884  -2.480
  275    HG2  GLN  41           2HG      GLN  41   4.447   5.310  -4.346
  276    HG3  GLN  41           1HG      GLN  41   2.736   4.915  -4.167
  277   HE21  GLN  41          1HE2      GLN  41   5.006   7.338  -5.344
  278   HE22  GLN  41          2HE2      GLN  41   3.838   8.323  -6.104
  279    H    ARG  42           H        ARG  42   2.925   6.043   0.458
  280    HA   ARG  42           HA       ARG  42   5.484   6.895   1.503
  281    HB2  ARG  42           2HB      ARG  42   2.665   7.019   2.574
  282    HB3  ARG  42           1HB      ARG  42   4.061   7.601   3.481
  283    HG2  ARG  42           2HG      ARG  42   4.579   9.241   1.831
  284    HG3  ARG  42           1HG      ARG  42   3.488   8.509   0.657
  285    HD2  ARG  42           2HD      ARG  42   1.588   9.018   2.246
  286    HD3  ARG  42           1HD      ARG  42   2.732   9.956   3.205
  287    HE   ARG  42           HE       ARG  42   1.505  10.761   0.742
  288   HH11  ARG  42          1HH2      ARG  42   4.448  11.102   2.641
  289   HH12  ARG  42          2HH2      ARG  42   4.873  12.601   1.896
  290   HH21  ARG  42          1HH1      ARG  42   2.114  12.717  -0.177
  291   HH22  ARG  42          2HH1      ARG  42   3.573  13.505   0.324
  292    H    GLN  43           H        GLN  43   3.264   4.234   2.041
  293    HA   GLN  43           HA       GLN  43   4.468   3.347   4.501
  294    HB2  GLN  43           2HB      GLN  43   2.072   2.894   3.541
  295    HB3  GLN  43           1HB      GLN  43   2.864   1.574   2.685
  296    HG2  GLN  43           2HG      GLN  43   2.261   0.499   4.646
  297    HG3  GLN  43           1HG      GLN  43   3.878   1.052   5.073
  298   HE21  GLN  43          1HE2      GLN  43   3.343   1.199   7.361
  299   HE22  GLN  43          2HE2      GLN  43   2.314   2.410   7.954
  300    H    GLN  44           H        GLN  44   4.764   2.566   1.069
  301    HA   GLN  44           HA       GLN  44   6.521   0.327   1.432
  302    HB2  GLN  44           2HB      GLN  44   5.032   0.900  -0.606
  303    HB3  GLN  44           1HB      GLN  44   6.356   1.961  -1.086
  304    HG2  GLN  44           2HG      GLN  44   7.907   0.139  -1.161
  305    HG3  GLN  44           1HG      GLN  44   6.763  -0.951  -0.382
  306   HE21  GLN  44          1HE2      GLN  44   6.774   1.215  -3.278
  307   HE22  GLN  44          2HE2      GLN  44   6.024   0.075  -4.303
  308    H    ASN  45           H        ASN  45   6.977   3.771   0.695
  309    HA   ASN  45           HA       ASN  45   9.780   3.645   0.237
  310    HB2  ASN  45           2HB      ASN  45   7.841   5.843   0.883
  311    HB3  ASN  45           1HB      ASN  45   9.573   6.170   0.908
  312   HD21  ASN  45          1HD2      ASN  45   7.389   7.047  -1.062
  313   HD22  ASN  45          2HD2      ASN  45   7.990   6.570  -2.587
  314    H    SER  46           H        SER  46   7.838   4.314   3.137
  315    HA   SER  46           HA       SER  46  10.110   4.827   4.820
  316    HB2  SER  46           2HB      SER  46   7.629   5.572   5.123
  317    HB3  SER  46           1HB      SER  46   7.419   3.984   5.858
  318    HG   SER  46           HG       SER  46   8.019   5.329   7.489
  319    H    GLY  47           H        GLY  47   7.694   2.184   4.931
  320    HA2  GLY  47           2HA      GLY  47   7.936  -0.067   5.379
  321    HA3  GLY  47           1HA      GLY  47   9.665   0.121   5.108
  322    H    ARG  48           H        ARG  48   7.310   1.365   7.504
  323    HA   ARG  48           HA       ARG  48   9.107   0.406   9.659
  324    HB2  ARG  48           2HB      ARG  48   7.579   3.006   9.450
  325    HB3  ARG  48           1HB      ARG  48   8.238   2.397  10.968
  326    HG2  ARG  48           2HG      ARG  48   9.951   2.692   8.498
  327    HG3  ARG  48           1HG      ARG  48   9.720   4.024   9.633
  328    HD2  ARG  48           2HD      ARG  48  10.393   2.294  11.452
  329    HD3  ARG  48           1HD      ARG  48  11.037   1.357  10.106
  330    HE   ARG  48           HE       ARG  48  12.173   3.747  11.229
  331   HH11  ARG  48          1HH2      ARG  48  11.877   1.897   8.251
  332   HH12  ARG  48          2HH2      ARG  48  13.337   2.544   7.586
  333   HH21  ARG  48          1HH1      ARG  48  14.056   4.552  10.306
  334   HH22  ARG  48          2HH1      ARG  48  14.554   4.030   8.732
  335    H    MET  49           H        MET  49   5.767   1.381   8.856
  336    HA   MET  49           HA       MET  49   4.760  -0.337  11.033
  337    HB2  MET  49           2HB      MET  49   3.629   1.977   9.492
  338    HB3  MET  49           1HB      MET  49   2.538   0.830  10.265
  339    HG2  MET  49           2HG      MET  49   3.563   1.230  12.430
  340    HG3  MET  49           1HG      MET  49   4.796   2.256  11.698
  341    HE1  MET  49           3HE      MET  49   3.875   4.028   9.828
  342    HE2  MET  49           1HE      MET  49   4.551   4.757  11.290
  343    HE3  MET  49           2HE      MET  49   3.067   5.395  10.589
  344    H    SER  50           H        SER  50   4.339  -2.372  10.452
  345    HA   SER  50           HA       SER  50   3.641  -3.009   7.685
  346    HB2  SER  50           2HB      SER  50   3.859  -4.990   9.940
  347    HB3  SER  50           1HB      SER  50   4.122  -5.247   8.218
  348    HG   SER  50           HG       SER  50   6.137  -4.914   8.740
  349    HA   PRO  51           HA       PRO  51  -0.714  -3.584   8.171
  350    HB2  PRO  51           2HB      PRO  51  -0.542  -6.465   7.446
  351    HB3  PRO  51           1HB      PRO  51  -1.445  -5.154   6.665
  352    HG2  PRO  51           2HG      PRO  51   0.752  -6.188   5.571
  353    HG3  PRO  51           1HG      PRO  51   0.358  -4.465   5.432
  354    HD2  PRO  51           2HD      PRO  51   2.391  -5.797   7.184
  355    HD3  PRO  51           1HD      PRO  51   2.471  -4.226   6.355
  356    H    MET  52           H        MET  52  -2.450  -4.937   9.287
  357    HA   MET  52           HA       MET  52  -1.514  -5.639  11.948
  358    HB2  MET  52           2HB      MET  52  -4.286  -5.481  10.742
  359    HB3  MET  52           1HB      MET  52  -3.956  -5.858  12.433
  360    HG2  MET  52           2HG      MET  52  -2.865  -3.364  11.128
  361    HG3  MET  52           1HG      MET  52  -4.466  -3.398  11.864
  362    HE1  MET  52           3HE      MET  52  -4.901  -4.547  13.963
  363    HE2  MET  52           1HE      MET  52  -4.745  -2.906  14.601
  364    HE3  MET  52           2HE      MET  52  -3.996  -4.258  15.447
  365    H    GLY  53           H        GLY  53  -2.732  -7.596  12.976
  366    HA2  GLY  53           2HA      GLY  53  -3.172  -9.865  13.041
  367    HA3  GLY  53           1HA      GLY  53  -3.288  -9.847  11.284
  368    H    THR  54           H        THR  54  -0.507  -8.745  13.164
  369    HA   THR  54           HA       THR  54   1.177 -10.695  11.763
  370    HB   THR  54           HB       THR  54   3.032  -9.308  12.846
  371    HG1  THR  54           1HG      THR  54   2.439  -7.417  13.764
  372   HG21  THR  54          3HG2      THR  54   2.090  -9.089  10.476
  373   HG22  THR  54          1HG2      THR  54   2.918  -7.671  11.119
  374   HG23  THR  54          2HG2      THR  54   1.156  -7.723  11.087
  375    H    ALA  55           H        ALA  55   2.805 -11.903  12.942
  376    HA   ALA  55           HA       ALA  55   1.744 -12.978  15.429
  377    HB1  ALA  55           1HB      ALA  55   4.200 -13.789  13.857
  378    HB2  ALA  55           2HB      ALA  55   2.592 -14.480  13.644
  379    HB3  ALA  55           3HB      ALA  55   3.450 -14.699  15.169
  380    H    SER  56           H        SER  56   2.671 -12.808  17.426
  381    HA   SER  56           HA       SER  56   4.547 -10.641  17.831
  382    HB2  SER  56           2HB      SER  56   2.611 -11.061  19.351
  383    HB3  SER  56           1HB      SER  56   3.378 -12.564  19.854
  384    HG   SER  56           HG       SER  56   3.754 -10.348  20.990
  385    H    GLY  57           H        GLY  57   6.327 -11.086  19.558
  386    HA2  GLY  57           2HA      GLY  57   8.087 -12.437  20.363
  387    HA3  GLY  57           1HA      GLY  57   7.621 -13.692  19.220
  388    H    SER  58           H        SER  58   9.113 -10.478  19.454
  389    HA   SER  58           HA       SER  58  10.677 -11.092  17.011
  390    HB2  SER  58           2HB      SER  58   8.893  -9.164  16.984
  391    HB3  SER  58           1HB      SER  58  10.120  -8.276  17.883
  392    HG   SER  58           HG       SER  58  10.009  -8.878  15.255
  393    H    ASN  59           H        ASN  59  11.401 -11.807  19.700
  394    HA   ASN  59           HA       ASN  59  13.239  -9.910  20.799
  395    HB2  ASN  59           2HB      ASN  59  12.817 -12.869  21.229
  396    HB3  ASN  59           1HB      ASN  59  14.070 -11.958  22.072
  397   HD21  ASN  59          1HD2      ASN  59  13.426 -10.660  23.848
  398   HD22  ASN  59          2HD2      ASN  59  11.811 -10.478  24.338
  399    H    SER  60           H        SER  60  15.271  -9.472  20.216
  400    HA   SER  60           HA       SER  60  16.977 -11.462  18.995
  401    HB2  SER  60           2HB      SER  60  17.439  -9.882  17.017
  402    HB3  SER  60           1HB      SER  60  15.958 -10.834  16.963
  403    HG   SER  60           HG       SER  60  15.103  -8.919  16.681
  404    HA   PRO  61           HA       PRO  61  19.251  -8.297  21.448
  405    HB2  PRO  61           2HB      PRO  61  20.801  -9.983  22.887
  406    HB3  PRO  61           1HB      PRO  61  19.111  -9.656  23.319
  407    HG2  PRO  61           2HG      PRO  61  20.296 -12.015  21.954
  408    HG3  PRO  61           1HG      PRO  61  18.978 -11.933  23.134
  409    HD2  PRO  61           2HD      PRO  61  18.629 -12.182  20.381
  410    HD3  PRO  61           1HD      PRO  61  17.390 -11.600  21.513
  411    H    THR  62           H        THR  62  21.876  -8.493  21.983
  412    HA   THR  62           HA       THR  62  23.414  -9.651  19.845
  413    HB   THR  62           HB       THR  62  22.567  -7.758  18.593
  414    HG1  THR  62           1HG      THR  62  24.547  -6.770  18.148
  415   HG21  THR  62          3HG2      THR  62  22.927  -5.440  19.371
  416   HG22  THR  62          1HG2      THR  62  23.591  -6.054  20.885
  417   HG23  THR  62          2HG2      THR  62  21.895  -6.333  20.488
  Start of MODEL    7
    1    H1   GLY   1           1HT      GLY   1 -31.477  21.562   3.574
    2    H2   GLY   1           2HT      GLY   1 -31.536  19.901   3.222
    3    H3   GLY   1           3HT      GLY   1 -32.784  20.927   2.699
    4    HA2  GLY   1           2HA      GLY   1 -31.260  22.086   1.228
    5    HA3  GLY   1           1HA      GLY   1 -29.963  21.023   1.773
    6    H    SER   2           H        SER   2 -29.824  20.471  -0.557
    7    HA   SER   2           HA       SER   2 -31.931  18.606  -1.463
    8    HB2  SER   2           2HB      SER   2 -29.698  19.641  -3.189
    9    HB3  SER   2           1HB      SER   2 -31.286  19.052  -3.669
   10    HG   SER   2           HG       SER   2 -30.821  21.452  -3.565
   11    H    MET   3           H        MET   3 -31.491  16.554  -0.926
   12    HA   MET   3           HA       MET   3 -28.903  15.419  -1.661
   13    HB2  MET   3           2HB      MET   3 -29.967  15.478   1.162
   14    HB3  MET   3           1HB      MET   3 -28.803  14.268   0.619
   15    HG2  MET   3           2HG      MET   3 -27.327  16.163  -0.163
   16    HG3  MET   3           1HG      MET   3 -28.444  17.277   0.627
   17    HE1  MET   3           3HE      MET   3 -25.464  17.097   1.042
   18    HE2  MET   3           1HE      MET   3 -25.143  17.031   2.781
   19    HE3  MET   3           2HE      MET   3 -26.307  18.188   2.139
   20    H    ALA   4           H        ALA   4 -29.674  13.934  -3.068
   21    HA   ALA   4           HA       ALA   4 -31.563  11.921  -2.023
   22    HB1  ALA   4           1HB      ALA   4 -31.755  12.867  -4.871
   23    HB2  ALA   4           2HB      ALA   4 -32.615  13.716  -3.587
   24    HB3  ALA   4           3HB      ALA   4 -32.956  12.015  -3.902
   25    H    GLN   5           H        GLN   5 -28.659  11.873  -2.297
   26    HA   GLN   5           HA       GLN   5 -28.434   9.574  -4.135
   27    HB2  GLN   5           2HB      GLN   5 -26.642  11.996  -4.002
   28    HB3  GLN   5           1HB      GLN   5 -26.066  10.450  -4.630
   29    HG2  GLN   5           2HG      GLN   5 -28.217  10.511  -6.097
   30    HG3  GLN   5           1HG      GLN   5 -28.242  12.230  -5.711
   31   HE21  GLN   5          1HE2      GLN   5 -26.806  13.588  -6.857
   32   HE22  GLN   5          2HE2      GLN   5 -25.633  13.010  -7.953
   33    H    GLU   6           H        GLU   6 -28.836   9.628  -1.284
   34    HA   GLU   6           HA       GLU   6 -26.345   8.287  -0.426
   35    HB2  GLU   6           2HB      GLU   6 -28.008  10.205   1.227
   36    HB3  GLU   6           1HB      GLU   6 -26.681   9.223   1.847
   37    HG2  GLU   6           2HG      GLU   6 -25.187  10.301   0.124
   38    HG3  GLU   6           1HG      GLU   6 -26.516  11.393  -0.259
   39    H    THR   7           H        THR   7 -27.010   6.205  -0.445
   40    HA   THR   7           HA       THR   7 -29.674   5.432   0.379
   41    HB   THR   7           HB       THR   7 -28.697   3.094   0.052
   42    HG1  THR   7           1HG      THR   7 -26.671   2.935  -0.553
   43   HG21  THR   7          3HG2      THR   7 -28.629   5.142  -2.180
   44   HG22  THR   7          1HG2      THR   7 -30.002   4.144  -1.697
   45   HG23  THR   7          2HG2      THR   7 -28.587   3.398  -2.442
   46    H    ASN   8           H        ASN   8 -30.199   4.133   2.182
   47    HA   ASN   8           HA       ASN   8 -28.314   4.409   4.441
   48    HB2  ASN   8           2HB      ASN   8 -30.339   4.048   5.863
   49    HB3  ASN   8           1HB      ASN   8 -30.426   5.495   4.863
   50   HD21  ASN   8          1HD2      ASN   8 -32.062   5.584   3.223
   51   HD22  ASN   8          2HD2      ASN   8 -33.233   4.358   3.025
   52    H    GLN   9           H        GLN   9 -30.309   2.089   2.679
   53    HA   GLN   9           HA       GLN   9 -29.352  -0.102   4.395
   54    HB2  GLN   9           2HB      GLN   9 -31.823   0.236   3.661
   55    HB3  GLN   9           1HB      GLN   9 -31.285  -0.418   2.114
   56    HG2  GLN   9           2HG      GLN   9 -30.575  -2.470   3.123
   57    HG3  GLN   9           1HG      GLN   9 -30.743  -1.806   4.747
   58   HE21  GLN   9          1HE2      GLN   9 -32.673  -2.329   5.779
   59   HE22  GLN   9          2HE2      GLN   9 -34.110  -2.790   4.982
   60    H    THR  10           H        THR  10 -27.239  -0.410   3.728
   61    HA   THR  10           HA       THR  10 -26.934  -1.738   1.149
   62    HB   THR  10           HB       THR  10 -26.408   0.547   0.540
   63    HG1  THR  10           1HG      THR  10 -24.570   0.035  -0.391
   64   HG21  THR  10          3HG2      THR  10 -24.143   0.694   2.491
   65   HG22  THR  10          1HG2      THR  10 -25.768   1.053   3.074
   66   HG23  THR  10          2HG2      THR  10 -25.076   1.999   1.758
   67    HA   PRO  11           HA       PRO  11 -24.757  -3.961   4.586
   68    HB2  PRO  11           2HB      PRO  11 -24.947  -6.158   2.581
   69    HB3  PRO  11           1HB      PRO  11 -25.370  -6.161   4.303
   70    HG2  PRO  11           2HG      PRO  11 -27.247  -6.146   2.428
   71    HG3  PRO  11           1HG      PRO  11 -27.438  -5.231   3.935
   72    HD2  PRO  11           2HD      PRO  11 -26.738  -4.223   1.197
   73    HD3  PRO  11           1HD      PRO  11 -27.770  -3.481   2.442
   74    H    GLY  12           H        GLY  12 -22.577  -4.295   4.819
   75    HA2  GLY  12           2HA      GLY  12 -20.347  -4.540   4.293
   76    HA3  GLY  12           1HA      GLY  12 -20.827  -4.985   2.660
   77    HA   PRO  13           HA       PRO  13 -20.607  -0.295   2.107
   78    HB2  PRO  13           2HB      PRO  13 -20.835   1.453   4.169
   79    HB3  PRO  13           1HB      PRO  13 -22.251   0.695   3.409
   80    HG2  PRO  13           2HG      PRO  13 -20.868  -0.000   5.957
   81    HG3  PRO  13           1HG      PRO  13 -22.604   0.058   5.592
   82    HD2  PRO  13           2HD      PRO  13 -21.137  -2.276   5.649
   83    HD3  PRO  13           1HD      PRO  13 -22.620  -2.057   4.694
   84    H    MET  14           H        MET  14 -18.360  -1.395   2.018
   85    HA   MET  14           HA       MET  14 -16.379  -0.620   3.940
   86    HB2  MET  14           2HB      MET  14 -16.134  -1.729   1.132
   87    HB3  MET  14           1HB      MET  14 -14.770  -1.478   2.220
   88    HG2  MET  14           2HG      MET  14 -17.161  -3.100   3.079
   89    HG3  MET  14           1HG      MET  14 -15.849  -3.833   2.157
   90    HE1  MET  14           3HE      MET  14 -16.655  -4.924   4.951
   91    HE2  MET  14           1HE      MET  14 -17.288  -3.329   5.376
   92    HE3  MET  14           2HE      MET  14 -16.043  -4.079   6.370
   93    H    LEU  15           H        LEU  15 -17.082   1.727   3.891
   94    HA   LEU  15           HA       LEU  15 -16.320   3.265   1.560
   95    HB2  LEU  15           2HB      LEU  15 -17.414   3.916   4.275
   96    HB3  LEU  15           1HB      LEU  15 -16.675   5.195   3.311
   97    HG   LEU  15           HG       LEU  15 -18.884   3.373   2.304
   98   HD11  LEU  15          1HD1      LEU  15 -19.684   4.803   4.123
   99   HD12  LEU  15          2HD1      LEU  15 -20.315   5.379   2.582
  100   HD13  LEU  15          3HD1      LEU  15 -18.961   6.212   3.348
  101   HD21  LEU  15          3HD2      LEU  15 -18.949   5.613   0.747
  102   HD22  LEU  15          1HD2      LEU  15 -18.001   4.185   0.331
  103   HD23  LEU  15          2HD2      LEU  15 -17.228   5.557   1.121
  104    H    CYS  16           H        CYS  16 -14.512   4.471   1.246
  105    HA   CYS  16           HA       CYS  16 -12.059   3.716   1.981
  106    HB2  CYS  16           2HB      CYS  16 -12.777   5.573   0.357
  107    HB3  CYS  16           1HB      CYS  16 -12.594   6.663   1.733
  108    H    SER  17           H        SER  17 -10.606   3.859   3.556
  109    HA   SER  17           HA       SER  17 -11.395   4.475   6.207
  110    HB2  SER  17           2HB      SER  17  -8.530   4.313   5.278
  111    HB3  SER  17           1HB      SER  17  -9.198   3.871   6.848
  112    HG   SER  17           HG       SER  17 -10.361   2.204   5.752
  113    H    THR  18           H        THR  18  -9.817   6.397   3.714
  114    HA   THR  18           HA       THR  18  -8.989   8.470   5.555
  115    HB   THR  18           HB       THR  18  -8.197   9.643   3.588
  116    HG1  THR  18           1HG      THR  18  -9.821   9.277   2.148
  117   HG21  THR  18          3HG2      THR  18  -7.661   6.695   3.128
  118   HG22  THR  18          1HG2      THR  18  -6.937   7.604   4.459
  119   HG23  THR  18          2HG2      THR  18  -6.589   8.057   2.792
  120    H    GLY  19           H        GLY  19 -12.000   7.662   4.199
  121    HA2  GLY  19           2HA      GLY  19 -14.010   8.766   4.270
  122    HA3  GLY  19           1HA      GLY  19 -13.193  10.078   5.118
  123    H    CYS  20           H        CYS  20 -12.571   8.769   1.851
  124    HA   CYS  20           HA       CYS  20 -12.591  11.468   0.803
  125    HB2  CYS  20           2HB      CYS  20 -11.856  10.470  -1.305
  126    HB3  CYS  20           1HB      CYS  20 -10.884   9.881   0.044
  127    H    GLY  21           H        GLY  21 -15.066   9.234   1.315
  128    HA2  GLY  21           2HA      GLY  21 -17.327   9.603   0.816
  129    HA3  GLY  21           1HA      GLY  21 -16.843  10.742  -0.433
  130    H    PHE  22           H        PHE  22 -14.980   8.010  -0.954
  131    HA   PHE  22           HA       PHE  22 -16.903   6.979  -2.935
  132    HB2  PHE  22           2HB      PHE  22 -13.878   7.021  -2.917
  133    HB3  PHE  22           1HB      PHE  22 -14.846   6.146  -4.108
  134    HD1  PHE  22           2HD      PHE  22 -14.003   9.503  -2.773
  135    HD2  PHE  22           1HD      PHE  22 -16.033   7.303  -5.853
  136    HE1  PHE  22           2HE      PHE  22 -14.288  11.592  -4.082
  137    HE2  PHE  22           1HE      PHE  22 -16.319   9.390  -7.157
  138    HZ   PHE  22           HZ       PHE  22 -15.448  11.533  -6.272
  139    H    TYR  23           H        TYR  23 -16.208   4.656  -3.598
  140    HA   TYR  23           HA       TYR  23 -16.553   3.038  -1.216
  141    HB2  TYR  23           2HB      TYR  23 -17.731   2.743  -3.511
  142    HB3  TYR  23           1HB      TYR  23 -16.250   1.899  -3.971
  143    HD1  TYR  23           1HD      TYR  23 -18.394   2.016  -0.850
  144    HD2  TYR  23           2HD      TYR  23 -16.434  -0.392  -3.832
  145    HE1  TYR  23           1HE      TYR  23 -19.159  -0.046   0.302
  146    HE2  TYR  23           2HE      TYR  23 -17.197  -2.442  -2.674
  147    HH   TYR  23           HH       TYR  23 -19.360  -2.906  -0.993
  148    H    GLY  24           H        GLY  24 -15.270   1.430  -0.444
  149    HA2  GLY  24           2HA      GLY  24 -12.469   1.373  -1.444
  150    HA3  GLY  24           1HA      GLY  24 -12.919   1.159   0.256
  151    H    ASN  25           H        ASN  25 -11.376  -0.715  -1.209
  152    HA   ASN  25           HA       ASN  25 -13.249  -2.973  -1.608
  153    HB2  ASN  25           2HB      ASN  25 -11.397  -2.241  -3.354
  154    HB3  ASN  25           1HB      ASN  25 -10.344  -3.182  -2.307
  155   HD21  ASN  25          1HD2      ASN  25 -13.504  -3.467  -4.038
  156   HD22  ASN  25          2HD2      ASN  25 -13.344  -5.139  -4.344
  157    HA   PRO  26           HA       PRO  26 -11.651  -4.571   2.230
  158    HB2  PRO  26           2HB      PRO  26 -12.579  -7.149   2.088
  159    HB3  PRO  26           1HB      PRO  26 -13.558  -5.744   2.534
  160    HG2  PRO  26           2HG      PRO  26 -13.513  -7.282   0.027
  161    HG3  PRO  26           1HG      PRO  26 -14.821  -6.339   0.755
  162    HD2  PRO  26           2HD      PRO  26 -13.190  -5.528  -1.398
  163    HD3  PRO  26           1HD      PRO  26 -14.283  -4.493  -0.459
  164    H    ARG  27           H        ARG  27 -10.862  -6.067  -0.847
  165    HA   ARG  27           HA       ARG  27  -8.852  -7.857   0.189
  166    HB2  ARG  27           2HB      ARG  27  -9.433  -6.826  -2.598
  167    HB3  ARG  27           1HB      ARG  27  -8.170  -7.997  -2.231
  168    HG2  ARG  27           2HG      ARG  27  -9.840  -9.542  -1.302
  169    HG3  ARG  27           1HG      ARG  27 -11.115  -8.362  -1.606
  170    HD2  ARG  27           2HD      ARG  27 -10.329  -8.418  -4.060
  171    HD3  ARG  27           1HD      ARG  27  -9.455  -9.879  -3.619
  172    HE   ARG  27           HE       ARG  27 -12.312  -9.610  -3.955
  173   HH11  ARG  27          1HH2      ARG  27  -9.779 -11.489  -2.394
  174   HH12  ARG  27          2HH2      ARG  27 -10.784 -12.886  -2.223
  175   HH21  ARG  27          1HH1      ARG  27 -13.553 -11.465  -3.720
  176   HH22  ARG  27          2HH1      ARG  27 -12.889 -12.875  -2.961
  177    H    THR  28           H        THR  28  -9.019  -4.532  -0.853
  178    HA   THR  28           HA       THR  28  -6.124  -4.192  -1.022
  179    HB   THR  28           HB       THR  28  -6.662  -1.834  -1.482
  180    HG1  THR  28           1HG      THR  28  -8.553  -1.030  -1.024
  181   HG21  THR  28          3HG2      THR  28  -8.187  -2.211  -3.468
  182   HG22  THR  28          1HG2      THR  28  -8.348  -3.880  -2.924
  183   HG23  THR  28          2HG2      THR  28  -6.769  -3.253  -3.393
  184    H    ASN  29           H        ASN  29  -6.233  -1.550   0.383
  185    HA   ASN  29           HA       ASN  29  -5.903  -2.575   3.102
  186    HB2  ASN  29           2HB      ASN  29  -4.957  -0.126   1.654
  187    HB3  ASN  29           1HB      ASN  29  -4.993  -0.142   3.422
  188   HD21  ASN  29          1HD2      ASN  29  -2.744  -0.385   3.874
  189   HD22  ASN  29          2HD2      ASN  29  -1.824  -1.711   3.313
  190    H    GLY  30           H        GLY  30  -8.628  -2.130   1.918
  191    HA2  GLY  30           2HA      GLY  30 -10.647  -1.465   2.816
  192    HA3  GLY  30           1HA      GLY  30  -9.763  -0.715   4.146
  193    H    MET  31           H        MET  31  -8.641   0.230   1.016
  194    HA   MET  31           HA       MET  31 -10.195   2.744   1.180
  195    HB2  MET  31           2HB      MET  31  -7.284   2.331   0.472
  196    HB3  MET  31           1HB      MET  31  -8.153   3.854   0.263
  197    HG2  MET  31           2HG      MET  31  -8.659   3.920   2.663
  198    HG3  MET  31           1HG      MET  31  -7.838   2.375   2.894
  199    HE1  MET  31           3HE      MET  31  -5.552   4.499   4.730
  200    HE2  MET  31           1HE      MET  31  -5.174   2.864   4.170
  201    HE3  MET  31           2HE      MET  31  -6.820   3.279   4.643
  202    H    CYS  32           H        CYS  32 -10.112   3.975  -0.910
  203    HA   CYS  32           HA       CYS  32 -11.058   2.259  -3.014
  204    HB2  CYS  32           2HB      CYS  32 -11.753   4.298  -4.116
  205    HB3  CYS  32           1HB      CYS  32 -12.162   4.404  -2.408
  206    H    SER  33           H        SER  33 -10.272   3.601  -5.345
  207    HA   SER  33           HA       SER  33  -7.690   2.414  -5.764
  208    HB2  SER  33           2HB      SER  33  -9.805   2.871  -7.385
  209    HB3  SER  33           1HB      SER  33  -8.771   4.220  -7.851
  210    HG   SER  33           HG       SER  33  -8.556   1.848  -8.744
  211    H    VAL  34           H        VAL  34  -8.835   5.800  -5.636
  212    HA   VAL  34           HA       VAL  34  -6.373   6.963  -6.427
  213    HB   VAL  34           HB       VAL  34  -8.512   8.278  -4.732
  214   HG11  VAL  34          1HG1      VAL  34  -6.454   9.329  -6.703
  215   HG12  VAL  34          2HG1      VAL  34  -6.487   9.607  -4.961
  216   HG13  VAL  34          3HG1      VAL  34  -7.738  10.307  -5.988
  217   HG21  VAL  34          3HG2      VAL  34  -9.396   9.046  -7.011
  218   HG22  VAL  34          1HG2      VAL  34  -9.695   7.356  -6.609
  219   HG23  VAL  34          2HG2      VAL  34  -8.396   7.781  -7.724
  220    H    CYS  35           H        CYS  35  -7.812   6.549  -3.196
  221    HA   CYS  35           HA       CYS  35  -5.628   7.720  -1.799
  222    HB2  CYS  35           2HB      CYS  35  -7.775   5.871  -0.733
  223    HB3  CYS  35           1HB      CYS  35  -6.726   6.915   0.227
  224    H    TYR  36           H        TYR  36  -6.444   4.400  -2.675
  225    HA   TYR  36           HA       TYR  36  -4.609   3.107  -0.950
  226    HB2  TYR  36           2HB      TYR  36  -6.469   1.916  -1.981
  227    HB3  TYR  36           1HB      TYR  36  -5.775   2.167  -3.583
  228    HD1  TYR  36           1HD      TYR  36  -4.655   0.881  -0.221
  229    HD2  TYR  36           2HD      TYR  36  -4.646   0.361  -4.483
  230    HE1  TYR  36           1HE      TYR  36  -3.340  -1.206   0.031
  231    HE2  TYR  36           2HE      TYR  36  -3.330  -1.723  -4.230
  232    HH   TYR  36           HH       TYR  36  -1.666  -2.631  -2.353
  233    H    LYS  37           H        LYS  37  -4.133   4.713  -4.052
  234    HA   LYS  37           HA       LYS  37  -1.613   3.445  -4.604
  235    HB2  LYS  37           2HB      LYS  37  -3.264   4.601  -6.257
  236    HB3  LYS  37           1HB      LYS  37  -2.489   6.098  -5.732
  237    HG2  LYS  37           2HG      LYS  37  -0.287   5.169  -6.343
  238    HG3  LYS  37           1HG      LYS  37  -1.063   3.686  -6.896
  239    HD2  LYS  37           2HD      LYS  37  -2.083   4.756  -8.728
  240    HD3  LYS  37           1HD      LYS  37  -1.913   6.355  -8.005
  241    HE2  LYS  37           2HE      LYS  37   0.543   6.211  -8.279
  242    HE3  LYS  37           1HE      LYS  37   0.358   4.626  -9.029
  243    HZ1  LYS  37           3HZ      LYS  37  -1.052   5.696 -10.726
  244    HZ2  LYS  37           1HZ      LYS  37   0.542   6.274 -10.729
  245    HZ3  LYS  37           2HZ      LYS  37  -0.697   7.210 -10.041
  246    H    GLU  38           H        GLU  38  -2.721   6.502  -3.189
  247    HA   GLU  38           HA       GLU  38  -0.159   7.667  -2.832
  248    HB2  GLU  38           2HB      GLU  38  -2.809   8.145  -1.454
  249    HB3  GLU  38           1HB      GLU  38  -1.372   9.125  -1.166
  250    HG2  GLU  38           2HG      GLU  38  -2.469   8.655  -3.940
  251    HG3  GLU  38           1HG      GLU  38  -3.014   9.996  -2.927
  252    H    HIS  39           H        HIS  39  -2.266   5.817  -0.608
  253    HA   HIS  39           HA       HIS  39  -0.737   6.020   1.719
  254    HB2  HIS  39           2HB      HIS  39  -3.082   5.022   1.324
  255    HB3  HIS  39           1HB      HIS  39  -2.238   3.526   0.926
  256    HD1  HIS  39           1HD      HIS  39  -2.244   6.077   3.778
  257    HD2  HIS  39           2HD      HIS  39  -1.819   1.976   3.154
  258    HE1  HIS  39           1HE      HIS  39  -2.140   5.010   6.071
  259    HE2  HIS  39           2HE      HIS  39  -1.842   2.514   5.710
  260    H    LEU  40           H        LEU  40  -0.566   3.550  -0.843
  261    HA   LEU  40           HA       LEU  40   1.412   1.949   0.368
  262    HB2  LEU  40           2HB      LEU  40   0.092   2.121  -2.237
  263    HB3  LEU  40           1HB      LEU  40   1.770   1.593  -2.378
  264    HG   LEU  40           HG       LEU  40   1.263  -0.072  -0.512
  265   HD11  LEU  40          1HD1      LEU  40  -1.082  -0.613  -0.117
  266   HD12  LEU  40          2HD1      LEU  40  -1.590   0.633  -1.258
  267   HD13  LEU  40          3HD1      LEU  40  -0.810   1.089   0.256
  268   HD21  LEU  40          3HD2      LEU  40   0.176  -1.658  -2.064
  269   HD22  LEU  40          1HD2      LEU  40   1.421  -0.721  -2.889
  270   HD23  LEU  40          2HD2      LEU  40  -0.282  -0.318  -3.116
  271    H    GLN  41           H        GLN  41   1.710   4.909  -1.510
  272    HA   GLN  41           HA       GLN  41   4.463   4.648  -2.167
  273    HB2  GLN  41           2HB      GLN  41   2.749   6.299  -3.130
  274    HB3  GLN  41           1HB      GLN  41   3.058   7.273  -1.693
  275    HG2  GLN  41           2HG      GLN  41   4.611   8.132  -3.230
  276    HG3  GLN  41           1HG      GLN  41   5.574   6.964  -2.320
  277   HE21  GLN  41          1HE2      GLN  41   4.252   7.719  -5.466
  278   HE22  GLN  41          2HE2      GLN  41   4.889   6.362  -6.276
  279    H    ARG  42           H        ARG  42   2.769   5.796   0.698
  280    HA   ARG  42           HA       ARG  42   5.159   6.898   1.914
  281    HB2  ARG  42           2HB      ARG  42   2.299   6.562   2.782
  282    HB3  ARG  42           1HB      ARG  42   3.552   7.059   3.924
  283    HG2  ARG  42           2HG      ARG  42   3.259   8.459   1.273
  284    HG3  ARG  42           1HG      ARG  42   2.249   8.916   2.645
  285    HD2  ARG  42           2HD      ARG  42   4.136   9.504   3.972
  286    HD3  ARG  42           1HD      ARG  42   5.251   8.705   2.869
  287    HE   ARG  42           HE       ARG  42   3.945  10.714   1.420
  288   HH11  ARG  42          1HH2      ARG  42   6.144  10.491   4.160
  289   HH12  ARG  42          2HH2      ARG  42   6.881  12.019   3.821
  290   HH21  ARG  42          1HH1      ARG  42   4.953  12.680   1.027
  291   HH22  ARG  42          2HH1      ARG  42   6.222  13.238   2.065
  292    H    GLN  43           H        GLN  43   3.265   3.939   2.116
  293    HA   GLN  43           HA       GLN  43   4.649   2.943   4.450
  294    HB2  GLN  43           2HB      GLN  43   2.707   1.709   2.497
  295    HB3  GLN  43           1HB      GLN  43   3.440   0.796   3.816
  296    HG2  GLN  43           2HG      GLN  43   2.058   3.426   4.327
  297    HG3  GLN  43           1HG      GLN  43   1.147   1.920   4.260
  298   HE21  GLN  43          1HE2      GLN  43   1.969   0.141   5.797
  299   HE22  GLN  43          2HE2      GLN  43   2.616   0.633   7.289
  300    H    GLN  44           H        GLN  44   5.065   2.753   0.979
  301    HA   GLN  44           HA       GLN  44   6.839   0.485   1.024
  302    HB2  GLN  44           2HB      GLN  44   5.397   1.227  -0.936
  303    HB3  GLN  44           1HB      GLN  44   6.570   2.518  -1.188
  304    HG2  GLN  44           2HG      GLN  44   8.306   1.012  -1.699
  305    HG3  GLN  44           1HG      GLN  44   7.470  -0.347  -0.945
  306   HE21  GLN  44          1HE2      GLN  44   6.437   2.066  -3.425
  307   HE22  GLN  44          2HE2      GLN  44   5.943   0.893  -4.559
  308    H    ASN  45           H        ASN  45   7.262   4.016   0.810
  309    HA   ASN  45           HA       ASN  45  10.082   3.964   0.436
  310    HB2  ASN  45           2HB      ASN  45   8.063   6.030   1.197
  311    HB3  ASN  45           1HB      ASN  45   9.756   6.384   1.531
  312   HD21  ASN  45          1HD2      ASN  45   7.402   5.848  -1.056
  313   HD22  ASN  45          2HD2      ASN  45   8.427   6.341  -2.328
  314    H    SER  46           H        SER  46   8.046   4.174   3.342
  315    HA   SER  46           HA       SER  46  10.245   4.480   5.160
  316    HB2  SER  46           2HB      SER  46   7.429   3.515   5.707
  317    HB3  SER  46           1HB      SER  46   8.592   4.067   6.909
  318    HG   SER  46           HG       SER  46   8.290   6.084   6.287
  319    H    GLY  47           H        GLY  47   7.967   1.750   4.749
  320    HA2  GLY  47           2HA      GLY  47   8.504  -0.522   4.495
  321    HA3  GLY  47           1HA      GLY  47  10.183  -0.147   4.863
  322    H    ARG  48           H        ARG  48  10.225   0.984   7.260
  323    HA   ARG  48           HA       ARG  48   8.648  -0.732   9.078
  324    HB2  ARG  48           2HB      ARG  48  11.032  -1.580   8.603
  325    HB3  ARG  48           1HB      ARG  48  11.573  -0.189   9.543
  326    HG2  ARG  48           2HG      ARG  48  10.325  -0.931  11.479
  327    HG3  ARG  48           1HG      ARG  48   9.560  -2.219  10.549
  328    HD2  ARG  48           2HD      ARG  48  12.549  -2.005  10.978
  329    HD3  ARG  48           1HD      ARG  48  11.487  -2.987  11.983
  330    HE   ARG  48           HE       ARG  48  11.220  -3.552   9.165
  331   HH11  ARG  48          1HH2      ARG  48  13.092  -4.295  12.052
  332   HH12  ARG  48          2HH2      ARG  48  13.607  -5.830  11.443
  333   HH21  ARG  48          1HH1      ARG  48  11.922  -5.555   8.436
  334   HH22  ARG  48          2HH1      ARG  48  12.956  -6.535   9.422
  335    H    MET  49           H        MET  49  11.103   1.877   9.149
  336    HA   MET  49           HA       MET  49  10.063   3.013  11.559
  337    HB2  MET  49           2HB      MET  49  12.109   3.847   9.527
  338    HB3  MET  49           1HB      MET  49  11.563   4.998  10.747
  339    HG2  MET  49           2HG      MET  49  12.480   2.222  11.502
  340    HG3  MET  49           1HG      MET  49  13.624   3.553  11.328
  341    HE1  MET  49           3HE      MET  49  13.733   3.858  15.014
  342    HE2  MET  49           1HE      MET  49  14.487   4.391  13.506
  343    HE3  MET  49           2HE      MET  49  14.160   2.681  13.776
  344    H    SER  50           H        SER  50   8.072   3.854  11.595
  345    HA   SER  50           HA       SER  50   7.099   5.419   9.305
  346    HB2  SER  50           2HB      SER  50   5.684   4.393  11.776
  347    HB3  SER  50           1HB      SER  50   4.915   5.308  10.483
  348    HG   SER  50           HG       SER  50   4.962   3.590   9.250
  349    HA   PRO  51           HA       PRO  51   7.697   9.228  11.501
  350    HB2  PRO  51           2HB      PRO  51   5.754  10.827  10.488
  351    HB3  PRO  51           1HB      PRO  51   7.132  10.276   9.515
  352    HG2  PRO  51           2HG      PRO  51   4.330   9.279   9.563
  353    HG3  PRO  51           1HG      PRO  51   5.431   9.495   8.192
  354    HD2  PRO  51           2HD      PRO  51   4.934   7.058   9.412
  355    HD3  PRO  51           1HD      PRO  51   6.401   7.430   8.482
  356    H    MET  52           H        MET  52   6.234  11.075  12.628
  357    HA   MET  52           HA       MET  52   4.742   9.688  14.719
  358    HB2  MET  52           2HB      MET  52   5.739  12.521  14.397
  359    HB3  MET  52           1HB      MET  52   4.712  12.017  15.742
  360    HG2  MET  52           2HG      MET  52   6.355  10.327  16.403
  361    HG3  MET  52           1HG      MET  52   7.367  10.742  15.021
  362    HE1  MET  52           3HE      MET  52   9.520  12.331  15.511
  363    HE2  MET  52           1HE      MET  52   8.924  13.992  15.638
  364    HE3  MET  52           2HE      MET  52   8.201  12.880  14.480
  365    H    GLY  53           H        GLY  53   4.186  12.699  12.870
  366    HA2  GLY  53           2HA      GLY  53   2.003  12.476  11.478
  367    HA3  GLY  53           1HA      GLY  53   1.282  12.241  13.067
  368    H    THR  54           H        THR  54   2.227  14.013  14.706
  369    HA   THR  54           HA       THR  54   1.220  16.522  13.762
  370    HB   THR  54           HB       THR  54   0.883  15.906  16.084
  371    HG1  THR  54           1HG      THR  54   1.268  17.866  16.795
  372   HG21  THR  54          3HG2      THR  54   3.039  16.037  17.569
  373   HG22  THR  54          1HG2      THR  54   3.876  15.641  16.068
  374   HG23  THR  54          2HG2      THR  54   2.667  14.536  16.720
  375    H    ALA  55           H        ALA  55   2.528  18.585  14.204
  376    HA   ALA  55           HA       ALA  55   5.079  18.324  12.780
  377    HB1  ALA  55           1HB      ALA  55   3.349  20.715  13.441
  378    HB2  ALA  55           2HB      ALA  55   3.559  19.956  11.864
  379    HB3  ALA  55           3HB      ALA  55   4.901  20.820  12.612
  380    H    SER  56           H        SER  56   6.822  19.921  13.497
  381    HA   SER  56           HA       SER  56   6.915  20.337  16.397
  382    HB2  SER  56           2HB      SER  56   9.278  19.347  16.359
  383    HB3  SER  56           1HB      SER  56   7.937  18.206  16.312
  384    HG   SER  56           HG       SER  56   9.298  17.608  14.694
  385    H    GLY  57           H        GLY  57   8.940  20.505  13.450
  386    HA2  GLY  57           2HA      GLY  57   9.770  22.452  12.427
  387    HA3  GLY  57           1HA      GLY  57   9.287  23.381  13.844
  388    H    SER  58           H        SER  58  11.388  20.527  13.348
  389    HA   SER  58           HA       SER  58  13.688  22.037  14.354
  390    HB2  SER  58           2HB      SER  58  12.878  19.402  15.594
  391    HB3  SER  58           1HB      SER  58  14.214  20.443  16.077
  392    HG   SER  58           HG       SER  58  11.439  20.801  16.385
  393    H    ASN  59           H        ASN  59  12.651  18.714  13.514
  394    HA   ASN  59           HA       ASN  59  15.185  18.300  12.093
  395    HB2  ASN  59           2HB      ASN  59  14.444  15.930  11.966
  396    HB3  ASN  59           1HB      ASN  59  14.526  16.530  13.618
  397   HD21  ASN  59          1HD2      ASN  59  12.268  15.643  11.011
  398   HD22  ASN  59          2HD2      ASN  59  10.903  15.522  12.011
  399    H    SER  60           H        SER  60  15.309  17.753   9.912
  400    HA   SER  60           HA       SER  60  13.126  18.766   8.271
  401    HB2  SER  60           2HB      SER  60  15.939  17.857   7.673
  402    HB3  SER  60           1HB      SER  60  14.791  18.270   6.403
  403    HG   SER  60           HG       SER  60  15.825  20.140   6.871
  404    HA   PRO  61           HA       PRO  61  11.613  14.721   7.226
  405    HB2  PRO  61           2HB      PRO  61  10.337  15.190   4.885
  406    HB3  PRO  61           1HB      PRO  61   9.751  15.848   6.425
  407    HG2  PRO  61           2HG      PRO  61  11.251  17.193   4.241
  408    HG3  PRO  61           1HG      PRO  61   9.949  17.813   5.268
  409    HD2  PRO  61           2HD      PRO  61  12.655  18.341   5.656
  410    HD3  PRO  61           1HD      PRO  61  11.404  18.486   6.909
  411    H    THR  62           H        THR  62  13.342  13.357   6.828
  412    HA   THR  62           HA       THR  62  14.993  13.558   4.484
  413    HB   THR  62           HB       THR  62  14.739  11.139   6.270
  414    HG1  THR  62           1HG      THR  62  16.248  13.508   6.676
  415   HG21  THR  62          3HG2      THR  62  17.032  10.767   5.641
  416   HG22  THR  62          1HG2      THR  62  17.132  12.345   4.862
  417   HG23  THR  62          2HG2      THR  62  16.127  11.078   4.160
  Start of MODEL    8
    1    H1   GLY   1           1HT      GLY   1 -40.268  -8.757  -5.594
    2    H2   GLY   1           2HT      GLY   1 -40.303  -8.920  -7.284
    3    H3   GLY   1           3HT      GLY   1 -41.048  -7.586  -6.540
    4    HA2  GLY   1           2HA      GLY   1 -38.152  -8.158  -6.781
    5    HA3  GLY   1           1HA      GLY   1 -39.038  -6.768  -7.409
    6    H    SER   2           H        SER   2 -37.675  -8.269  -4.553
    7    HA   SER   2           HA       SER   2 -38.252  -5.825  -2.979
    8    HB2  SER   2           2HB      SER   2 -37.575  -8.615  -2.015
    9    HB3  SER   2           1HB      SER   2 -37.930  -7.227  -0.991
   10    HG   SER   2           HG       SER   2 -39.632  -8.924  -2.037
   11    H    MET   3           H        MET   3 -36.069  -6.097  -4.926
   12    HA   MET   3           HA       MET   3 -33.605  -6.599  -3.578
   13    HB2  MET   3           2HB      MET   3 -34.308  -5.144  -6.126
   14    HB3  MET   3           1HB      MET   3 -32.648  -5.273  -5.544
   15    HG2  MET   3           2HG      MET   3 -32.755  -7.698  -5.604
   16    HG3  MET   3           1HG      MET   3 -34.470  -7.650  -6.012
   17    HE1  MET   3           3HE      MET   3 -34.136  -9.083  -8.572
   18    HE2  MET   3           1HE      MET   3 -32.893  -9.360  -7.343
   19    HE3  MET   3           2HE      MET   3 -32.430  -9.039  -9.012
   20    H    ALA   4           H        ALA   4 -35.169  -3.542  -4.588
   21    HA   ALA   4           HA       ALA   4 -33.464  -2.087  -2.668
   22    HB1  ALA   4           1HB      ALA   4 -33.393  -1.271  -4.972
   23    HB2  ALA   4           2HB      ALA   4 -34.153  -0.071  -3.926
   24    HB3  ALA   4           3HB      ALA   4 -35.146  -1.081  -4.979
   25    H    GLN   5           H        GLN   5 -35.761  -3.685  -1.810
   26    HA   GLN   5           HA       GLN   5 -37.535  -1.546  -0.777
   27    HB2  GLN   5           2HB      GLN   5 -38.084  -4.431  -1.486
   28    HB3  GLN   5           1HB      GLN   5 -39.157  -3.508  -0.434
   29    HG2  GLN   5           2HG      GLN   5 -39.245  -1.747  -2.268
   30    HG3  GLN   5           1HG      GLN   5 -38.433  -2.914  -3.310
   31   HE21  GLN   5          1HE2      GLN   5 -41.363  -1.767  -3.139
   32   HE22  GLN   5          2HE2      GLN   5 -42.320  -3.174  -3.261
   33    H    GLU   6           H        GLU   6 -34.958  -2.367   0.371
   34    HA   GLU   6           HA       GLU   6 -35.850  -3.676   2.871
   35    HB2  GLU   6           2HB      GLU   6 -33.439  -4.161   3.246
   36    HB3  GLU   6           1HB      GLU   6 -34.063  -4.898   1.773
   37    HG2  GLU   6           2HG      GLU   6 -33.032  -3.236   0.390
   38    HG3  GLU   6           1HG      GLU   6 -32.665  -2.216   1.781
   39    H    THR   7           H        THR   7 -34.179  -2.965   4.727
   40    HA   THR   7           HA       THR   7 -34.810  -0.220   5.280
   41    HB   THR   7           HB       THR   7 -33.460  -0.645   7.363
   42    HG1  THR   7           1HG      THR   7 -32.035  -2.163   6.934
   43   HG21  THR   7          3HG2      THR   7 -35.497  -2.793   6.721
   44   HG22  THR   7          1HG2      THR   7 -35.912  -1.138   7.165
   45   HG23  THR   7          2HG2      THR   7 -35.079  -2.179   8.320
   46    H    ASN   8           H        ASN   8 -33.089   1.322   6.053
   47    HA   ASN   8           HA       ASN   8 -30.803   1.265   4.173
   48    HB2  ASN   8           2HB      ASN   8 -32.464   3.455   5.356
   49    HB3  ASN   8           1HB      ASN   8 -30.793   3.804   4.918
   50   HD21  ASN   8          1HD2      ASN   8 -30.903   4.875   2.941
   51   HD22  ASN   8          2HD2      ASN   8 -31.804   4.332   1.597
   52    H    GLN   9           H        GLN   9 -30.894  -0.109   6.815
   53    HA   GLN   9           HA       GLN   9 -28.477   1.125   7.949
   54    HB2  GLN   9           2HB      GLN   9 -29.348   0.518  10.251
   55    HB3  GLN   9           1HB      GLN   9 -30.157   1.879   9.478
   56    HG2  GLN   9           2HG      GLN   9 -32.130   0.725   9.187
   57    HG3  GLN   9           1HG      GLN   9 -31.319  -0.825   8.978
   58   HE21  GLN   9          1HE2      GLN   9 -31.153  -2.180  10.803
   59   HE22  GLN   9          2HE2      GLN   9 -31.635  -1.720  12.372
   60    H    THR  10           H        THR  10 -27.544  -0.589   6.620
   61    HA   THR  10           HA       THR  10 -27.156  -3.012   8.174
   62    HB   THR  10           HB       THR  10 -27.508  -4.383   5.996
   63    HG1  THR  10           1HG      THR  10 -28.107  -3.138   4.424
   64   HG21  THR  10          3HG2      THR  10 -29.711  -4.926   6.682
   65   HG22  THR  10          1HG2      THR  10 -30.020  -3.286   7.255
   66   HG23  THR  10          2HG2      THR  10 -28.923  -4.338   8.147
   67    HA   PRO  11           HA       PRO  11 -23.123  -2.368   6.460
   68    HB2  PRO  11           2HB      PRO  11 -21.984  -4.822   6.711
   69    HB3  PRO  11           1HB      PRO  11 -22.353  -3.793   8.115
   70    HG2  PRO  11           2HG      PRO  11 -23.874  -6.111   7.019
   71    HG3  PRO  11           1HG      PRO  11 -23.512  -5.692   8.704
   72    HD2  PRO  11           2HD      PRO  11 -25.930  -5.158   7.528
   73    HD3  PRO  11           1HD      PRO  11 -25.253  -4.173   8.844
   74    H    GLY  12           H        GLY  12 -21.588  -3.159   4.731
   75    HA2  GLY  12           2HA      GLY  12 -21.670  -4.953   2.826
   76    HA3  GLY  12           1HA      GLY  12 -23.126  -4.059   2.389
   77    HA   PRO  13           HA       PRO  13 -20.649  -0.985   0.396
   78    HB2  PRO  13           2HB      PRO  13 -21.406   1.463   1.270
   79    HB3  PRO  13           1HB      PRO  13 -22.488   0.402   0.341
   80    HG2  PRO  13           2HG      PRO  13 -22.444   0.979   3.251
   81    HG3  PRO  13           1HG      PRO  13 -23.815   0.689   2.170
   82    HD2  PRO  13           2HD      PRO  13 -22.712  -1.207   3.898
   83    HD3  PRO  13           1HD      PRO  13 -23.743  -1.572   2.495
   84    H    MET  14           H        MET  14 -18.521  -1.459   1.081
   85    HA   MET  14           HA       MET  14 -17.399  -0.379   3.485
   86    HB2  MET  14           2HB      MET  14 -16.351  -1.878   1.114
   87    HB3  MET  14           1HB      MET  14 -15.203  -1.034   2.152
   88    HG2  MET  14           2HG      MET  14 -15.285  -3.057   3.271
   89    HG3  MET  14           1HG      MET  14 -16.606  -2.224   4.086
   90    HE1  MET  14           3HE      MET  14 -17.869  -5.802   3.974
   91    HE2  MET  14           1HE      MET  14 -16.794  -4.645   4.768
   92    HE3  MET  14           2HE      MET  14 -16.167  -5.717   3.522
   93    H    LEU  15           H        LEU  15 -17.594   1.831   3.546
   94    HA   LEU  15           HA       LEU  15 -16.810   3.509   1.324
   95    HB2  LEU  15           2HB      LEU  15 -18.050   3.839   3.975
   96    HB3  LEU  15           1HB      LEU  15 -16.951   5.150   3.565
   97    HG   LEU  15           HG       LEU  15 -19.261   5.630   2.850
   98   HD11  LEU  15          1HD1      LEU  15 -18.723   6.508   0.741
   99   HD12  LEU  15          2HD1      LEU  15 -17.679   5.147   0.356
  100   HD13  LEU  15          3HD1      LEU  15 -17.158   6.348   1.539
  101   HD21  LEU  15          3HD2      LEU  15 -20.315   4.366   1.044
  102   HD22  LEU  15          1HD2      LEU  15 -19.998   3.312   2.420
  103   HD23  LEU  15          2HD2      LEU  15 -18.947   3.260   1.000
  104    H    CYS  16           H        CYS  16 -14.925   4.701   1.106
  105    HA   CYS  16           HA       CYS  16 -12.511   3.668   1.965
  106    HB2  CYS  16           2HB      CYS  16 -12.983   5.412   0.136
  107    HB3  CYS  16           1HB      CYS  16 -12.845   6.612   1.425
  108    H    SER  17           H        SER  17 -11.545   3.539   3.848
  109    HA   SER  17           HA       SER  17 -12.459   4.695   6.237
  110    HB2  SER  17           2HB      SER  17  -9.823   3.436   5.500
  111    HB3  SER  17           1HB      SER  17 -10.186   3.996   7.135
  112    HG   SER  17           HG       SER  17 -10.756   1.693   6.273
  113    H    THR  18           H        THR  18 -10.255   5.994   3.837
  114    HA   THR  18           HA       THR  18  -9.023   7.909   5.575
  115    HB   THR  18           HB       THR  18  -8.222   8.974   3.475
  116    HG1  THR  18           1HG      THR  18  -9.692   8.657   1.970
  117   HG21  THR  18          3HG2      THR  18  -6.769   7.299   4.247
  118   HG22  THR  18          1HG2      THR  18  -7.101   6.782   2.594
  119   HG23  THR  18          2HG2      THR  18  -7.937   6.012   3.939
  120    H    GLY  19           H        GLY  19 -12.121   7.824   4.016
  121    HA2  GLY  19           2HA      GLY  19 -13.882   9.300   4.410
  122    HA3  GLY  19           1HA      GLY  19 -12.744  10.431   5.134
  123    H    CYS  20           H        CYS  20 -12.571   8.947   1.911
  124    HA   CYS  20           HA       CYS  20 -12.401  11.629   0.751
  125    HB2  CYS  20           2HB      CYS  20 -11.678  10.533  -1.312
  126    HB3  CYS  20           1HB      CYS  20 -10.708   9.993   0.058
  127    H    GLY  21           H        GLY  21 -14.748   9.100   1.115
  128    HA2  GLY  21           2HA      GLY  21 -17.058   9.410   0.740
  129    HA3  GLY  21           1HA      GLY  21 -16.684  10.683  -0.412
  130    H    PHE  22           H        PHE  22 -14.729   8.026  -1.092
  131    HA   PHE  22           HA       PHE  22 -16.484   7.208  -3.284
  132    HB2  PHE  22           2HB      PHE  22 -13.499   7.153  -2.865
  133    HB3  PHE  22           1HB      PHE  22 -14.269   6.194  -4.134
  134    HD1  PHE  22           2HD      PHE  22 -14.363   9.676  -2.735
  135    HD2  PHE  22           1HD      PHE  22 -14.565   7.175  -6.223
  136    HE1  PHE  22           2HE      PHE  22 -14.534  11.691  -4.168
  137    HE2  PHE  22           1HE      PHE  22 -14.745   9.191  -7.656
  138    HZ   PHE  22           HZ       PHE  22 -14.728  11.447  -6.628
  139    H    TYR  23           H        TYR  23 -15.713   4.827  -3.993
  140    HA   TYR  23           HA       TYR  23 -16.533   3.123  -1.763
  141    HB2  TYR  23           2HB      TYR  23 -17.499   3.037  -4.157
  142    HB3  TYR  23           1HB      TYR  23 -16.010   2.182  -4.576
  143    HD1  TYR  23           1HD      TYR  23 -18.440   2.136  -1.704
  144    HD2  TYR  23           2HD      TYR  23 -16.227  -0.133  -4.604
  145    HE1  TYR  23           1HE      TYR  23 -19.368   0.049  -0.767
  146    HE2  TYR  23           2HE      TYR  23 -17.165  -2.233  -3.670
  147    HH   TYR  23           HH       TYR  23 -19.328  -2.846  -2.339
  148    H    GLY  24           H        GLY  24 -15.287   1.685  -0.723
  149    HA2  GLY  24           2HA      GLY  24 -12.439   1.507  -1.552
  150    HA3  GLY  24           1HA      GLY  24 -13.026   1.316   0.097
  151    H    ASN  25           H        ASN  25 -11.318  -0.567  -1.003
  152    HA   ASN  25           HA       ASN  25 -13.070  -2.886  -1.568
  153    HB2  ASN  25           2HB      ASN  25 -11.170  -2.046  -3.215
  154    HB3  ASN  25           1HB      ASN  25 -10.131  -2.949  -2.121
  155   HD21  ASN  25          1HD2      ASN  25 -12.779  -3.265  -4.461
  156   HD22  ASN  25          2HD2      ASN  25 -12.685  -4.966  -4.579
  157    HA   PRO  26           HA       PRO  26 -11.552  -4.409   2.387
  158    HB2  PRO  26           2HB      PRO  26 -12.634  -6.879   2.383
  159    HB3  PRO  26           1HB      PRO  26 -13.622  -5.416   2.567
  160    HG2  PRO  26           2HG      PRO  26 -13.158  -7.083   0.139
  161    HG3  PRO  26           1HG      PRO  26 -14.669  -6.382   0.753
  162    HD2  PRO  26           2HD      PRO  26 -13.201  -5.239  -1.267
  163    HD3  PRO  26           1HD      PRO  26 -14.239  -4.307  -0.167
  164    H    ARG  27           H        ARG  27 -10.957  -6.085  -0.669
  165    HA   ARG  27           HA       ARG  27  -9.028  -7.944   0.362
  166    HB2  ARG  27           2HB      ARG  27  -9.796  -6.997  -2.387
  167    HB3  ARG  27           1HB      ARG  27  -8.332  -7.947  -2.159
  168    HG2  ARG  27           2HG      ARG  27  -9.499  -9.844  -1.479
  169    HG3  ARG  27           1HG      ARG  27 -10.890  -8.913  -0.919
  170    HD2  ARG  27           2HD      ARG  27 -11.356  -8.326  -3.332
  171    HD3  ARG  27           1HD      ARG  27 -10.099  -9.473  -3.789
  172    HE   ARG  27           HE       ARG  27 -12.763 -10.103  -2.883
  173   HH11  ARG  27          1HH2      ARG  27  -9.463 -11.308  -3.068
  174   HH12  ARG  27          2HH2      ARG  27  -9.954 -12.963  -2.979
  175   HH21  ARG  27          1HH1      ARG  27 -13.338 -12.264  -2.768
  176   HH22  ARG  27          2HH1      ARG  27 -12.127 -13.500  -2.807
  177    H    THR  28           H        THR  28  -8.995  -4.656  -0.873
  178    HA   THR  28           HA       THR  28  -6.100  -4.453  -0.957
  179    HB   THR  28           HB       THR  28  -6.484  -2.101  -1.484
  180    HG1  THR  28           1HG      THR  28  -8.097  -1.271  -0.442
  181   HG21  THR  28          3HG2      THR  28  -6.819  -3.585  -3.356
  182   HG22  THR  28          1HG2      THR  28  -8.068  -2.343  -3.422
  183   HG23  THR  28          2HG2      THR  28  -8.460  -3.956  -2.829
  184    H    ASN  29           H        ASN  29  -6.006  -1.805   0.431
  185    HA   ASN  29           HA       ASN  29  -5.874  -2.828   3.164
  186    HB2  ASN  29           2HB      ASN  29  -4.651  -0.538   1.679
  187    HB3  ASN  29           1HB      ASN  29  -4.810  -0.408   3.433
  188   HD21  ASN  29          1HD2      ASN  29  -3.931  -3.114   1.189
  189   HD22  ASN  29          2HD2      ASN  29  -2.523  -3.551   2.048
  190    H    GLY  30           H        GLY  30  -8.524  -2.153   1.895
  191    HA2  GLY  30           2HA      GLY  30 -10.514  -1.377   2.760
  192    HA3  GLY  30           1HA      GLY  30  -9.614  -0.648   4.087
  193    H    MET  31           H        MET  31  -8.439   0.202   0.956
  194    HA   MET  31           HA       MET  31  -9.818   2.815   1.126
  195    HB2  MET  31           2HB      MET  31  -6.973   2.061   0.592
  196    HB3  MET  31           1HB      MET  31  -7.626   3.483  -0.221
  197    HG2  MET  31           2HG      MET  31  -6.625   4.210   1.846
  198    HG3  MET  31           1HG      MET  31  -8.369   4.344   2.025
  199    HE1  MET  31           3HE      MET  31  -5.960   4.365   3.890
  200    HE2  MET  31           1HE      MET  31  -5.124   2.806   3.826
  201    HE3  MET  31           2HE      MET  31  -6.103   3.228   5.228
  202    H    CYS  32           H        CYS  32  -9.966   3.951  -0.958
  203    HA   CYS  32           HA       CYS  32 -11.056   2.241  -2.983
  204    HB2  CYS  32           2HB      CYS  32 -11.728   4.330  -4.065
  205    HB3  CYS  32           1HB      CYS  32 -12.089   4.410  -2.346
  206    H    SER  33           H        SER  33 -10.241   3.801  -5.312
  207    HA   SER  33           HA       SER  33  -7.837   2.379  -5.919
  208    HB2  SER  33           2HB      SER  33  -9.873   3.294  -7.439
  209    HB3  SER  33           1HB      SER  33  -8.688   4.563  -7.740
  210    HG   SER  33           HG       SER  33  -7.258   3.037  -8.449
  211    H    VAL  34           H        VAL  34  -8.563   5.864  -5.631
  212    HA   VAL  34           HA       VAL  34  -5.912   6.732  -6.139
  213    HB   VAL  34           HB       VAL  34  -8.053   8.220  -4.593
  214   HG11  VAL  34          1HG1      VAL  34  -5.893   9.319  -4.458
  215   HG12  VAL  34          2HG1      VAL  34  -6.891  10.208  -5.608
  216   HG13  VAL  34          3HG1      VAL  34  -5.634   9.119  -6.191
  217   HG21  VAL  34          3HG2      VAL  34  -7.573   7.903  -7.565
  218   HG22  VAL  34          1HG2      VAL  34  -8.528   9.220  -6.883
  219   HG23  VAL  34          2HG2      VAL  34  -9.050   7.552  -6.664
  220    H    CYS  35           H        CYS  35  -7.693   6.607  -3.033
  221    HA   CYS  35           HA       CYS  35  -5.630   7.444  -1.370
  222    HB2  CYS  35           2HB      CYS  35  -7.910   5.542  -0.794
  223    HB3  CYS  35           1HB      CYS  35  -6.874   6.259   0.437
  224    H    TYR  36           H        TYR  36  -6.326   4.196  -2.592
  225    HA   TYR  36           HA       TYR  36  -4.617   2.745  -0.923
  226    HB2  TYR  36           2HB      TYR  36  -6.307   1.720  -2.399
  227    HB3  TYR  36           1HB      TYR  36  -5.299   2.105  -3.796
  228    HD1  TYR  36           1HD      TYR  36  -4.742   0.632  -0.368
  229    HD2  TYR  36           2HD      TYR  36  -4.099   0.276  -4.605
  230    HE1  TYR  36           1HE      TYR  36  -3.438  -1.444   0.004
  231    HE2  TYR  36           2HE      TYR  36  -2.793  -1.800  -4.230
  232    HH   TYR  36           HH       TYR  36  -1.426  -2.646  -1.578
  233    H    LYS  37           H        LYS  37  -3.875   4.329  -4.029
  234    HA   LYS  37           HA       LYS  37  -1.185   3.365  -4.112
  235    HB2  LYS  37           2HB      LYS  37  -2.616   4.155  -6.083
  236    HB3  LYS  37           1HB      LYS  37  -2.254   5.795  -5.548
  237    HG2  LYS  37           2HG      LYS  37   0.177   5.280  -5.695
  238    HG3  LYS  37           1HG      LYS  37  -0.221   3.676  -6.308
  239    HD2  LYS  37           2HD      LYS  37   0.081   4.821  -8.309
  240    HD3  LYS  37           1HD      LYS  37  -1.649   5.050  -8.069
  241    HE2  LYS  37           2HE      LYS  37  -1.344   7.259  -7.233
  242    HE3  LYS  37           1HE      LYS  37   0.391   7.023  -7.030
  243    HZ1  LYS  37           3HZ      LYS  37   0.030   8.290  -8.998
  244    HZ2  LYS  37           1HZ      LYS  37  -1.109   7.178  -9.585
  245    HZ3  LYS  37           2HZ      LYS  37   0.528   6.737  -9.473
  246    H    GLU  38           H        GLU  38  -2.703   6.461  -3.250
  247    HA   GLU  38           HA       GLU  38  -0.440   7.976  -2.725
  248    HB2  GLU  38           2HB      GLU  38  -3.159   8.035  -1.413
  249    HB3  GLU  38           1HB      GLU  38  -1.919   9.260  -1.140
  250    HG2  GLU  38           2HG      GLU  38  -2.817   8.517  -3.925
  251    HG3  GLU  38           1HG      GLU  38  -3.664   9.739  -2.974
  252    H    HIS  39           H        HIS  39  -2.095   5.687  -0.535
  253    HA   HIS  39           HA       HIS  39  -0.229   6.379   1.596
  254    HB2  HIS  39           2HB      HIS  39  -1.529   5.117   3.081
  255    HB3  HIS  39           1HB      HIS  39  -2.674   5.916   2.018
  256    HD1  HIS  39           1HD      HIS  39  -4.576   4.366   1.722
  257    HD2  HIS  39           2HD      HIS  39  -0.963   2.313   1.609
  258    HE1  HIS  39           1HE      HIS  39  -5.138   1.922   1.370
  259    HE2  HIS  39           2HE      HIS  39  -2.944   0.665   1.269
  260    H    LEU  40           H        LEU  40  -0.659   3.764  -0.699
  261    HA   LEU  40           HA       LEU  40   1.103   1.894   0.505
  262    HB2  LEU  40           2HB      LEU  40  -0.526   1.448  -1.382
  263    HB3  LEU  40           1HB      LEU  40   0.643   2.210  -2.466
  264    HG   LEU  40           HG       LEU  40   2.363   0.561  -1.555
  265   HD11  LEU  40          1HD1      LEU  40   1.085  -1.582  -0.702
  266   HD12  LEU  40          2HD1      LEU  40  -0.153  -0.418  -0.232
  267   HD13  LEU  40          3HD1      LEU  40   1.476  -0.288   0.431
  268   HD21  LEU  40          3HD2      LEU  40   1.245   0.292  -3.757
  269   HD22  LEU  40          1HD2      LEU  40  -0.065  -0.588  -2.970
  270   HD23  LEU  40          2HD2      LEU  40   1.561  -1.268  -2.996
  271    H    GLN  41           H        GLN  41   1.652   4.665  -1.589
  272    HA   GLN  41           HA       GLN  41   4.384   4.099  -2.223
  273    HB2  GLN  41           2HB      GLN  41   2.729   5.751  -3.359
  274    HB3  GLN  41           1HB      GLN  41   3.210   6.868  -2.086
  275    HG2  GLN  41           2HG      GLN  41   5.605   6.490  -2.746
  276    HG3  GLN  41           1HG      GLN  41   5.023   5.541  -4.119
  277   HE21  GLN  41          1HE2      GLN  41   4.230   8.738  -2.619
  278   HE22  GLN  41          2HE2      GLN  41   4.139   9.568  -4.107
  279    H    ARG  42           H        ARG  42   2.745   5.915   0.331
  280    HA   ARG  42           HA       ARG  42   5.122   6.970   1.534
  281    HB2  ARG  42           2HB      ARG  42   2.237   6.760   2.333
  282    HB3  ARG  42           1HB      ARG  42   3.442   7.244   3.526
  283    HG2  ARG  42           2HG      ARG  42   4.152   9.103   2.120
  284    HG3  ARG  42           1HG      ARG  42   3.068   8.581   0.831
  285    HD2  ARG  42           2HD      ARG  42   1.896  10.319   1.959
  286    HD3  ARG  42           1HD      ARG  42   1.169   8.819   2.529
  287    HE   ARG  42           HE       ARG  42   3.157   9.334   4.348
  288   HH11  ARG  42          1HH2      ARG  42   0.405  11.174   3.154
  289   HH12  ARG  42          2HH2      ARG  42   0.210  12.037   4.640
  290   HH21  ARG  42          1HH1      ARG  42   2.847  10.478   6.248
  291   HH22  ARG  42          2HH1      ARG  42   1.578  11.649   6.371
  292    H    GLN  43           H        GLN  43   3.229   4.030   1.952
  293    HA   GLN  43           HA       GLN  43   4.499   3.242   4.415
  294    HB2  GLN  43           2HB      GLN  43   2.649   1.905   2.460
  295    HB3  GLN  43           1HB      GLN  43   3.419   0.977   3.747
  296    HG2  GLN  43           2HG      GLN  43   1.957   3.547   4.333
  297    HG3  GLN  43           1HG      GLN  43   1.102   2.009   4.245
  298   HE21  GLN  43          1HE2      GLN  43   1.132   0.724   6.116
  299   HE22  GLN  43          2HE2      GLN  43   2.150   0.998   7.448
  300    H    GLN  44           H        GLN  44   4.956   2.569   0.984
  301    HA   GLN  44           HA       GLN  44   6.924   0.508   1.388
  302    HB2  GLN  44           2HB      GLN  44   5.907   2.055  -0.977
  303    HB3  GLN  44           1HB      GLN  44   7.371   1.083  -1.127
  304    HG2  GLN  44           2HG      GLN  44   6.095  -0.876  -0.221
  305    HG3  GLN  44           1HG      GLN  44   4.636   0.113  -0.257
  306   HE21  GLN  44          1HE2      GLN  44   5.773  -2.328  -1.943
  307   HE22  GLN  44          2HE2      GLN  44   5.418  -1.850  -3.541
  308    H    ASN  45           H        ASN  45   6.988   3.988   0.770
  309    HA   ASN  45           HA       ASN  45   9.792   4.203   0.325
  310    HB2  ASN  45           2HB      ASN  45   7.594   6.127   1.002
  311    HB3  ASN  45           1HB      ASN  45   9.273   6.663   1.085
  312   HD21  ASN  45          1HD2      ASN  45   9.761   7.743  -0.825
  313   HD22  ASN  45          2HD2      ASN  45   9.300   7.224  -2.385
  314    H    SER  46           H        SER  46   7.764   4.364   3.217
  315    HA   SER  46           HA       SER  46   9.928   5.139   4.960
  316    HB2  SER  46           2HB      SER  46   7.113   4.168   5.451
  317    HB3  SER  46           1HB      SER  46   8.237   4.523   6.759
  318    HG   SER  46           HG       SER  46   6.722   6.237   5.696
  319    H    GLY  47           H        GLY  47   8.071   2.135   4.432
  320    HA2  GLY  47           2HA      GLY  47   8.660  -0.075   4.704
  321    HA3  GLY  47           1HA      GLY  47  10.340   0.451   4.774
  322    H    ARG  48           H        ARG  48   7.543   1.178   6.869
  323    HA   ARG  48           HA       ARG  48   9.176   0.474   9.210
  324    HB2  ARG  48           2HB      ARG  48   6.589   2.013   8.912
  325    HB3  ARG  48           1HB      ARG  48   7.311   1.605  10.470
  326    HG2  ARG  48           2HG      ARG  48   9.362   2.809   9.862
  327    HG3  ARG  48           1HG      ARG  48   8.689   3.181   8.274
  328    HD2  ARG  48           2HD      ARG  48   6.951   4.536   9.242
  329    HD3  ARG  48           1HD      ARG  48   7.371   4.010  10.870
  330    HE   ARG  48           HE       ARG  48   9.635   5.227   9.690
  331   HH11  ARG  48          1HH2      ARG  48   6.451   6.106  10.906
  332   HH12  ARG  48          2HH2      ARG  48   6.944   7.708  11.327
  333   HH21  ARG  48          1HH1      ARG  48  10.208   7.321  10.258
  334   HH22  ARG  48          2HH1      ARG  48   9.043   8.391  10.967
  335    H    MET  49           H        MET  49   5.751   0.069   8.222
  336    HA   MET  49           HA       MET  49   5.692  -2.480   9.721
  337    HB2  MET  49           2HB      MET  49   4.019  -0.579  10.197
  338    HB3  MET  49           1HB      MET  49   3.287  -1.012   8.652
  339    HG2  MET  49           2HG      MET  49   2.105  -2.280  10.290
  340    HG3  MET  49           1HG      MET  49   3.212  -3.418   9.525
  341    HE1  MET  49           3HE      MET  49   5.636  -4.242  10.820
  342    HE2  MET  49           1HE      MET  49   4.052  -5.013  10.668
  343    HE3  MET  49           2HE      MET  49   4.893  -5.020  12.215
  344    H    SER  50           H        SER  50   6.314  -4.075   8.358
  345    HA   SER  50           HA       SER  50   4.597  -4.757   6.146
  346    HB2  SER  50           2HB      SER  50   6.320  -4.713   4.413
  347    HB3  SER  50           1HB      SER  50   6.097  -3.098   5.078
  348    HG   SER  50           HG       SER  50   8.334  -3.931   4.852
  349    HA   PRO  51           HA       PRO  51   6.125  -8.745   7.359
  350    HB2  PRO  51           2HB      PRO  51   5.644 -10.263   5.155
  351    HB3  PRO  51           1HB      PRO  51   4.342  -9.639   6.187
  352    HG2  PRO  51           2HG      PRO  51   5.325  -8.634   3.565
  353    HG3  PRO  51           1HG      PRO  51   3.668  -8.756   4.180
  354    HD2  PRO  51           2HD      PRO  51   5.113  -6.409   4.152
  355    HD3  PRO  51           1HD      PRO  51   3.790  -6.743   5.290
  356    H    MET  52           H        MET  52   7.265  -7.555   4.216
  357    HA   MET  52           HA       MET  52   9.942  -8.634   4.807
  358    HB2  MET  52           2HB      MET  52   8.370  -9.051   2.261
  359    HB3  MET  52           1HB      MET  52  10.123  -9.231   2.343
  360    HG2  MET  52           2HG      MET  52   8.269 -10.687   4.234
  361    HG3  MET  52           1HG      MET  52   8.752 -11.369   2.682
  362    HE1  MET  52           3HE      MET  52   9.866 -13.311   3.249
  363    HE2  MET  52           1HE      MET  52   9.491 -13.218   4.975
  364    HE3  MET  52           2HE      MET  52  11.136 -13.562   4.444
  365    H    GLY  53           H        GLY  53   8.244  -6.826   2.222
  366    HA2  GLY  53           2HA      GLY  53   8.526  -4.491   1.814
  367    HA3  GLY  53           1HA      GLY  53  10.063  -4.551   2.670
  368    H    THR  54           H        THR  54  11.054  -6.918   1.334
  369    HA   THR  54           HA       THR  54  11.440  -5.895  -1.423
  370    HB   THR  54           HB       THR  54  13.778  -6.766  -1.253
  371    HG1  THR  54           1HG      THR  54  13.090  -6.964   1.492
  372   HG21  THR  54          3HG2      THR  54  14.597  -4.902   0.171
  373   HG22  THR  54          1HG2      THR  54  12.955  -4.661   0.764
  374   HG23  THR  54          2HG2      THR  54  13.325  -4.385  -0.937
  375    H    ALA  55           H        ALA  55  11.930  -7.493  -3.025
  376    HA   ALA  55           HA       ALA  55  10.597 -10.038  -2.502
  377    HB1  ALA  55           1HB      ALA  55  11.727  -8.916  -5.079
  378    HB2  ALA  55           2HB      ALA  55  10.054  -8.748  -4.545
  379    HB3  ALA  55           3HB      ALA  55  10.703 -10.344  -4.925
  380    H    SER  56           H        SER  56  11.728 -11.743  -1.834
  381    HA   SER  56           HA       SER  56  14.620 -11.836  -2.204
  382    HB2  SER  56           2HB      SER  56  12.765 -13.744  -0.766
  383    HB3  SER  56           1HB      SER  56  14.525 -13.781  -0.716
  384    HG   SER  56           HG       SER  56  12.716 -12.019   0.464
  385    H    GLY  57           H        GLY  57  15.465 -14.190  -2.655
  386    HA2  GLY  57           2HA      GLY  57  15.457 -16.121  -3.985
  387    HA3  GLY  57           1HA      GLY  57  13.897 -15.634  -4.646
  388    H    SER  58           H        SER  58  17.371 -14.883  -4.721
  389    HA   SER  58           HA       SER  58  17.145 -14.282  -7.580
  390    HB2  SER  58           2HB      SER  58  18.488 -12.387  -5.640
  391    HB3  SER  58           1HB      SER  58  18.360 -12.188  -7.386
  392    HG   SER  58           HG       SER  58  16.178 -11.921  -7.185
  393    H    ASN  59           H        ASN  59  18.256 -16.510  -6.076
  394    HA   ASN  59           HA       ASN  59  21.123 -16.239  -6.025
  395    HB2  ASN  59           2HB      ASN  59  21.090 -18.709  -5.654
  396    HB3  ASN  59           1HB      ASN  59  20.094 -17.817  -4.509
  397   HD21  ASN  59          1HD2      ASN  59  20.006 -20.096  -7.206
  398   HD22  ASN  59          2HD2      ASN  59  18.348 -20.444  -7.088
  399    H    SER  60           H        SER  60  22.623 -17.321  -7.396
  400    HA   SER  60           HA       SER  60  21.590 -18.189 -10.020
  401    HB2  SER  60           2HB      SER  60  22.242 -15.864 -10.314
  402    HB3  SER  60           1HB      SER  60  23.803 -16.175  -9.558
  403    HG   SER  60           HG       SER  60  22.844 -16.873 -12.082
  404    HA   PRO  61           HA       PRO  61  24.385 -21.602  -9.526
  405    HB2  PRO  61           2HB      PRO  61  25.139 -21.287 -12.390
  406    HB3  PRO  61           1HB      PRO  61  24.468 -22.694 -11.545
  407    HG2  PRO  61           2HG      PRO  61  22.995 -21.229 -13.208
  408    HG3  PRO  61           1HG      PRO  61  22.310 -21.954 -11.743
  409    HD2  PRO  61           2HD      PRO  61  23.051 -19.098 -12.264
  410    HD3  PRO  61           1HD      PRO  61  21.711 -19.762 -11.302
  411    H    THR  62           H        THR  62  26.549 -21.989  -9.092
  412    HA   THR  62           HA       THR  62  28.325 -19.690  -9.198
  413    HB   THR  62           HB       THR  62  29.051 -22.427  -8.172
  414    HG1  THR  62           1HG      THR  62  27.938 -22.044  -6.378
  415   HG21  THR  62          3HG2      THR  62  29.810 -19.604  -7.371
  416   HG22  THR  62          1HG2      THR  62  30.814 -20.714  -8.302
  417   HG23  THR  62          2HG2      THR  62  30.421 -21.078  -6.622
  Start of MODEL    9
    1    H1   GLY   1           1HT      GLY   1 -37.123  -9.450  22.621
    2    H2   GLY   1           2HT      GLY   1 -37.372 -10.506  21.313
    3    H3   GLY   1           3HT      GLY   1 -37.854  -8.881  21.202
    4    HA2  GLY   1           2HA      GLY   1 -35.031  -9.664  21.616
    5    HA3  GLY   1           1HA      GLY   1 -35.734  -9.485  20.008
    6    H    SER   2           H        SER   2 -35.626  -7.725  23.123
    7    HA   SER   2           HA       SER   2 -34.985  -5.254  21.644
    8    HB2  SER   2           2HB      SER   2 -36.948  -5.289  23.934
    9    HB3  SER   2           1HB      SER   2 -36.599  -3.971  22.822
   10    HG   SER   2           HG       SER   2 -38.549  -5.205  22.370
   11    H    MET   3           H        MET   3 -33.549  -3.911  22.662
   12    HA   MET   3           HA       MET   3 -32.828  -4.397  25.455
   13    HB2  MET   3           2HB      MET   3 -31.016  -4.895  23.111
   14    HB3  MET   3           1HB      MET   3 -30.352  -4.389  24.664
   15    HG2  MET   3           2HG      MET   3 -31.691  -6.294  25.708
   16    HG3  MET   3           1HG      MET   3 -31.974  -6.868  24.064
   17    HE1  MET   3           3HE      MET   3 -31.058  -9.039  24.626
   18    HE2  MET   3           1HE      MET   3 -30.466  -8.713  26.259
   19    HE3  MET   3           2HE      MET   3 -29.397  -9.438  25.061
   20    H    ALA   4           H        ALA   4 -30.830  -2.827  25.939
   21    HA   ALA   4           HA       ALA   4 -31.759  -0.168  25.145
   22    HB1  ALA   4           1HB      ALA   4 -29.996   0.507  26.914
   23    HB2  ALA   4           2HB      ALA   4 -29.949  -1.211  27.313
   24    HB3  ALA   4           3HB      ALA   4 -31.456  -0.309  27.472
   25    H    GLN   5           H        GLN   5 -28.847  -2.184  25.005
   26    HA   GLN   5           HA       GLN   5 -27.456  -0.117  23.437
   27    HB2  GLN   5           2HB      GLN   5 -26.416  -1.394  25.442
   28    HB3  GLN   5           1HB      GLN   5 -26.258  -2.735  24.308
   29    HG2  GLN   5           2HG      GLN   5 -24.892  -1.433  22.823
   30    HG3  GLN   5           1HG      GLN   5 -25.235   0.050  23.712
   31   HE21  GLN   5          1HE2      GLN   5 -24.544  -0.099  26.161
   32   HE22  GLN   5          2HE2      GLN   5 -23.047  -0.860  26.459
   33    H    GLU   6           H        GLU   6 -29.698  -1.705  22.319
   34    HA   GLU   6           HA       GLU   6 -28.549  -3.645  20.521
   35    HB2  GLU   6           2HB      GLU   6 -30.974  -3.559  21.427
   36    HB3  GLU   6           1HB      GLU   6 -31.244  -2.355  20.166
   37    HG2  GLU   6           2HG      GLU   6 -30.495  -3.933  18.452
   38    HG3  GLU   6           1HG      GLU   6 -30.129  -5.134  19.691
   39    H    THR   7           H        THR   7 -27.312  -3.060  18.856
   40    HA   THR   7           HA       THR   7 -27.551  -0.410  17.674
   41    HB   THR   7           HB       THR   7 -25.306  -1.262  18.042
   42    HG1  THR   7           1HG      THR   7 -24.702  -0.452  16.215
   43   HG21  THR   7          3HG2      THR   7 -26.398  -3.659  16.634
   44   HG22  THR   7          1HG2      THR   7 -25.282  -3.566  17.996
   45   HG23  THR   7          2HG2      THR   7 -24.704  -3.251  16.361
   46    H    ASN   8           H        ASN   8 -27.626  -0.170  15.286
   47    HA   ASN   8           HA       ASN   8 -29.248  -2.273  13.977
   48    HB2  ASN   8           2HB      ASN   8 -29.771   0.686  14.175
   49    HB3  ASN   8           1HB      ASN   8 -30.432  -0.273  12.852
   50   HD21  ASN   8          1HD2      ASN   8 -31.722  -2.279  13.574
   51   HD22  ASN   8          2HD2      ASN   8 -32.636  -2.142  15.007
   52    H    GLN   9           H        GLN   9 -26.398  -1.777  13.776
   53    HA   GLN   9           HA       GLN   9 -26.108  -0.637  11.073
   54    HB2  GLN   9           2HB      GLN   9 -23.672  -0.699  11.558
   55    HB3  GLN   9           1HB      GLN   9 -24.571   0.278  12.712
   56    HG2  GLN   9           2HG      GLN   9 -23.841  -0.989  14.429
   57    HG3  GLN   9           1HG      GLN   9 -24.489  -2.443  13.682
   58   HE21  GLN   9          1HE2      GLN   9 -21.600  -1.001  14.693
   59   HE22  GLN   9          2HE2      GLN   9 -20.518  -1.945  13.772
   60    H    THR  10           H        THR  10 -24.360  -1.815   9.733
   61    HA   THR  10           HA       THR  10 -24.160  -4.666  10.097
   62    HB   THR  10           HB       THR  10 -26.403  -4.630   9.183
   63    HG1  THR  10           1HG      THR  10 -25.581  -6.278   8.184
   64   HG21  THR  10          3HG2      THR  10 -25.183  -2.751   7.163
   65   HG22  THR  10          1HG2      THR  10 -26.635  -2.525   8.141
   66   HG23  THR  10          2HG2      THR  10 -26.647  -3.661   6.792
   67    HA   PRO  11           HA       PRO  11 -20.568  -3.654   7.661
   68    HB2  PRO  11           2HB      PRO  11 -19.649  -6.146   7.045
   69    HB3  PRO  11           1HB      PRO  11 -19.517  -5.441   8.667
   70    HG2  PRO  11           2HG      PRO  11 -21.426  -7.461   7.630
   71    HG3  PRO  11           1HG      PRO  11 -20.672  -7.329   9.227
   72    HD2  PRO  11           2HD      PRO  11 -23.273  -6.548   8.658
   73    HD3  PRO  11           1HD      PRO  11 -22.317  -5.942  10.025
   74    H    GLY  12           H        GLY  12 -19.590  -4.011   5.476
   75    HA2  GLY  12           2HA      GLY  12 -20.098  -5.191   3.262
   76    HA3  GLY  12           1HA      GLY  12 -21.698  -4.468   3.450
   77    HA   PRO  13           HA       PRO  13 -20.306  -0.652   1.692
   78    HB2  PRO  13           2HB      PRO  13 -21.001   1.351   3.420
   79    HB3  PRO  13           1HB      PRO  13 -22.185   0.434   2.465
   80    HG2  PRO  13           2HG      PRO  13 -21.389   0.100   5.322
   81    HG3  PRO  13           1HG      PRO  13 -23.004   0.050   4.585
   82    HD2  PRO  13           2HD      PRO  13 -21.634  -2.212   5.246
   83    HD3  PRO  13           1HD      PRO  13 -22.762  -2.143   3.872
   84    H    MET  14           H        MET  14 -18.009  -1.502   2.121
   85    HA   MET  14           HA       MET  14 -16.466  -0.332   4.236
   86    HB2  MET  14           2HB      MET  14 -15.725  -1.775   1.690
   87    HB3  MET  14           1HB      MET  14 -14.508  -1.101   2.771
   88    HG2  MET  14           2HG      MET  14 -16.668  -2.963   3.766
   89    HG3  MET  14           1HG      MET  14 -15.135  -3.562   3.136
   90    HE1  MET  14           3HE      MET  14 -13.275  -3.913   6.204
   91    HE2  MET  14           1HE      MET  14 -13.400  -4.157   4.456
   92    HE3  MET  14           2HE      MET  14 -14.662  -4.763   5.527
   93    H    LEU  15           H        LEU  15 -17.019   1.918   4.045
   94    HA   LEU  15           HA       LEU  15 -16.364   3.390   1.656
   95    HB2  LEU  15           2HB      LEU  15 -17.771   3.883   4.109
   96    HB3  LEU  15           1HB      LEU  15 -16.536   5.127   3.940
   97    HG   LEU  15           HG       LEU  15 -17.364   5.561   1.610
   98   HD11  LEU  15          1HD1      LEU  15 -19.410   3.497   2.456
   99   HD12  LEU  15          2HD1      LEU  15 -18.425   3.517   0.993
  100   HD13  LEU  15          3HD1      LEU  15 -19.739   4.676   1.186
  101   HD21  LEU  15          3HD2      LEU  15 -19.506   6.640   2.356
  102   HD22  LEU  15          1HD2      LEU  15 -18.138   6.982   3.414
  103   HD23  LEU  15          2HD2      LEU  15 -19.345   5.790   3.892
  104    H    CYS  16           H        CYS  16 -14.588   4.732   1.289
  105    HA   CYS  16           HA       CYS  16 -12.093   3.904   1.987
  106    HB2  CYS  16           2HB      CYS  16 -12.781   5.632   0.234
  107    HB3  CYS  16           1HB      CYS  16 -12.636   6.827   1.529
  108    H    SER  17           H        SER  17 -10.681   4.087   3.548
  109    HA   SER  17           HA       SER  17 -11.422   4.979   6.144
  110    HB2  SER  17           2HB      SER  17  -8.600   4.434   5.230
  111    HB3  SER  17           1HB      SER  17  -9.285   4.228   6.843
  112    HG   SER  17           HG       SER  17 -10.335   2.451   6.177
  113    H    THR  18           H        THR  18  -9.814   6.587   3.490
  114    HA   THR  18           HA       THR  18  -8.636   8.655   5.130
  115    HB   THR  18           HB       THR  18  -8.003   9.679   2.979
  116    HG1  THR  18           1HG      THR  18  -9.288   9.238   1.399
  117   HG21  THR  18          3HG2      THR  18  -7.203   7.052   2.200
  118   HG22  THR  18          1HG2      THR  18  -7.213   7.100   3.964
  119   HG23  THR  18          2HG2      THR  18  -6.256   8.267   3.055
  120    H    GLY  19           H        GLY  19 -11.773   8.170   3.746
  121    HA2  GLY  19           2HA      GLY  19 -13.646   9.492   4.128
  122    HA3  GLY  19           1HA      GLY  19 -12.590  10.773   4.726
  123    H    CYS  20           H        CYS  20 -12.230   9.174   1.584
  124    HA   CYS  20           HA       CYS  20 -12.330  11.749   0.270
  125    HB2  CYS  20           2HB      CYS  20 -11.869  10.495  -1.809
  126    HB3  CYS  20           1HB      CYS  20 -10.725  10.092  -0.527
  127    H    GLY  21           H        GLY  21 -14.653   9.306   1.036
  128    HA2  GLY  21           2HA      GLY  21 -16.974   9.584   0.867
  129    HA3  GLY  21           1HA      GLY  21 -16.722  10.811  -0.374
  130    H    PHE  22           H        PHE  22 -14.861   8.023  -1.011
  131    HA   PHE  22           HA       PHE  22 -16.792   7.151  -3.039
  132    HB2  PHE  22           2HB      PHE  22 -13.779   7.045  -2.868
  133    HB3  PHE  22           1HB      PHE  22 -14.680   6.116  -4.065
  134    HD1  PHE  22           1HD      PHE  22 -16.408   7.391  -5.503
  135    HD2  PHE  22           2HD      PHE  22 -13.263   9.314  -3.300
  136    HE1  PHE  22           1HE      PHE  22 -16.634   9.398  -6.935
  137    HE2  PHE  22           2HE      PHE  22 -13.486  11.325  -4.735
  138    HZ   PHE  22           HZ       PHE  22 -15.173  11.368  -6.553
  139    H    TYR  23           H        TYR  23 -15.885   4.669  -3.642
  140    HA   TYR  23           HA       TYR  23 -16.596   3.150  -1.223
  141    HB2  TYR  23           2HB      TYR  23 -17.770   2.931  -3.561
  142    HB3  TYR  23           1HB      TYR  23 -16.382   1.907  -3.942
  143    HD1  TYR  23           1HD      TYR  23 -18.878   2.446  -1.189
  144    HD2  TYR  23           2HD      TYR  23 -16.512  -0.365  -3.417
  145    HE1  TYR  23           1HE      TYR  23 -19.921   0.578   0.062
  146    HE2  TYR  23           2HE      TYR  23 -17.555  -2.235  -2.165
  147    HH   TYR  23           HH       TYR  23 -18.709  -2.407   0.253
  148    H    GLY  24           H        GLY  24 -15.354   1.502  -0.407
  149    HA2  GLY  24           2HA      GLY  24 -12.584   1.293  -1.450
  150    HA3  GLY  24           1HA      GLY  24 -13.021   1.130   0.252
  151    H    ASN  25           H        ASN  25 -11.552  -0.882  -0.811
  152    HA   ASN  25           HA       ASN  25 -13.515  -3.073  -1.197
  153    HB2  ASN  25           2HB      ASN  25 -11.799  -2.353  -3.109
  154    HB3  ASN  25           1HB      ASN  25 -10.704  -3.363  -2.175
  155   HD21  ASN  25          1HD2      ASN  25 -14.214  -3.679  -3.008
  156   HD22  ASN  25          2HD2      ASN  25 -14.059  -5.256  -3.639
  157    HA   PRO  26           HA       PRO  26 -11.553  -4.662   2.493
  158    HB2  PRO  26           2HB      PRO  26 -12.549  -7.194   2.528
  159    HB3  PRO  26           1HB      PRO  26 -13.507  -5.762   2.945
  160    HG2  PRO  26           2HG      PRO  26 -13.499  -7.374   0.457
  161    HG3  PRO  26           1HG      PRO  26 -14.839  -6.551   1.272
  162    HD2  PRO  26           2HD      PRO  26 -13.503  -5.572  -0.969
  163    HD3  PRO  26           1HD      PRO  26 -14.468  -4.585   0.148
  164    H    ARG  27           H        ARG  27 -11.023  -6.043  -0.656
  165    HA   ARG  27           HA       ARG  27  -9.029  -7.963   0.167
  166    HB2  ARG  27           2HB      ARG  27 -10.013  -6.894  -2.470
  167    HB3  ARG  27           1HB      ARG  27  -8.540  -7.858  -2.392
  168    HG2  ARG  27           2HG      ARG  27 -10.939  -8.923  -0.956
  169    HG3  ARG  27           1HG      ARG  27 -10.966  -8.974  -2.718
  170    HD2  ARG  27           2HD      ARG  27  -8.612 -10.021  -2.537
  171    HD3  ARG  27           1HD      ARG  27  -9.001 -10.283  -0.840
  172    HE   ARG  27           HE       ARG  27 -11.143 -11.298  -2.314
  173   HH11  ARG  27          1HH2      ARG  27  -7.703 -11.957  -2.001
  174   HH12  ARG  27          2HH2      ARG  27  -7.889 -13.638  -2.359
  175   HH21  ARG  27          1HH1      ARG  27 -11.314 -13.491  -2.792
  176   HH22  ARG  27          2HH1      ARG  27  -9.903 -14.495  -2.812
  177    H    THR  28           H        THR  28  -9.141  -4.635  -0.968
  178    HA   THR  28           HA       THR  28  -6.265  -4.382  -1.262
  179    HB   THR  28           HB       THR  28  -6.726  -2.035  -1.726
  180    HG1  THR  28           1HG      THR  28  -9.353  -2.620  -0.839
  181   HG21  THR  28          3HG2      THR  28  -7.249  -3.545  -3.564
  182   HG22  THR  28          1HG2      THR  28  -8.439  -2.244  -3.526
  183   HG23  THR  28          2HG2      THR  28  -8.856  -3.840  -2.903
  184    H    ASN  29           H        ASN  29  -6.173  -1.716   0.186
  185    HA   ASN  29           HA       ASN  29  -5.674  -2.774   2.849
  186    HB2  ASN  29           2HB      ASN  29  -4.911  -0.314   1.319
  187    HB3  ASN  29           1HB      ASN  29  -4.883  -0.248   3.079
  188   HD21  ASN  29          1HD2      ASN  29  -4.059  -3.077   0.994
  189   HD22  ASN  29          2HD2      ASN  29  -2.445  -3.178   1.531
  190    H    GLY  30           H        GLY  30  -8.523  -2.407   1.935
  191    HA2  GLY  30           2HA      GLY  30 -10.477  -1.804   2.960
  192    HA3  GLY  30           1HA      GLY  30  -9.526  -1.106   4.269
  193    H    MET  31           H        MET  31  -8.673   0.056   1.130
  194    HA   MET  31           HA       MET  31 -10.381   2.444   1.463
  195    HB2  MET  31           2HB      MET  31  -7.446   2.416   0.697
  196    HB3  MET  31           1HB      MET  31  -8.480   3.849   0.790
  197    HG2  MET  31           2HG      MET  31  -8.941   3.089   3.233
  198    HG3  MET  31           1HG      MET  31  -7.520   2.071   3.036
  199    HE1  MET  31           3HE      MET  31  -6.271   3.658   5.205
  200    HE2  MET  31           1HE      MET  31  -4.880   4.089   4.199
  201    HE3  MET  31           2HE      MET  31  -5.714   2.559   3.945
  202    H    CYS  32           H        CYS  32 -10.143   3.818  -0.681
  203    HA   CYS  32           HA       CYS  32 -11.095   2.106  -2.766
  204    HB2  CYS  32           2HB      CYS  32 -11.778   4.085  -3.898
  205    HB3  CYS  32           1HB      CYS  32 -12.083   4.354  -2.186
  206    H    SER  33           H        SER  33 -10.256   3.252  -5.111
  207    HA   SER  33           HA       SER  33  -7.729   1.951  -5.452
  208    HB2  SER  33           2HB      SER  33  -9.822   2.410  -7.098
  209    HB3  SER  33           1HB      SER  33  -8.709   3.651  -7.664
  210    HG   SER  33           HG       SER  33  -8.486   1.499  -8.632
  211    H    VAL  34           H        VAL  34  -8.658   5.416  -5.721
  212    HA   VAL  34           HA       VAL  34  -6.045   6.273  -6.470
  213    HB   VAL  34           HB       VAL  34  -8.162   7.972  -5.121
  214   HG11  VAL  34          1HG1      VAL  34  -6.966   9.654  -6.791
  215   HG12  VAL  34          2HG1      VAL  34  -5.639   8.498  -6.668
  216   HG13  VAL  34          3HG1      VAL  34  -6.245   9.300  -5.220
  217   HG21  VAL  34          3HG2      VAL  34  -7.742   7.484  -8.084
  218   HG22  VAL  34          1HG2      VAL  34  -8.979   8.503  -7.351
  219   HG23  VAL  34          2HG2      VAL  34  -9.038   6.755  -7.141
  220    H    CYS  35           H        CYS  35  -7.751   6.478  -3.342
  221    HA   CYS  35           HA       CYS  35  -5.660   7.608  -1.857
  222    HB2  CYS  35           2HB      CYS  35  -7.926   5.815  -0.968
  223    HB3  CYS  35           1HB      CYS  35  -6.881   6.723   0.122
  224    H    TYR  36           H        TYR  36  -6.443   4.234  -2.587
  225    HA   TYR  36           HA       TYR  36  -4.697   2.979  -0.800
  226    HB2  TYR  36           2HB      TYR  36  -6.340   1.661  -1.948
  227    HB3  TYR  36           1HB      TYR  36  -5.686   2.105  -3.526
  228    HD1  TYR  36           2HD      TYR  36  -4.261   0.771  -0.303
  229    HD2  TYR  36           1HD      TYR  36  -4.576   0.328  -4.561
  230    HE1  TYR  36           2HE      TYR  36  -2.738  -1.176  -0.208
  231    HE2  TYR  36           1HE      TYR  36  -3.056  -1.630  -4.467
  232    HH   TYR  36           HH       TYR  36  -2.266  -3.211  -1.598
  233    H    LYS  37           H        LYS  37  -4.073   4.505  -3.905
  234    HA   LYS  37           HA       LYS  37  -1.386   3.502  -4.128
  235    HB2  LYS  37           2HB      LYS  37  -3.195   5.299  -5.647
  236    HB3  LYS  37           1HB      LYS  37  -1.477   5.642  -5.808
  237    HG2  LYS  37           2HG      LYS  37  -1.181   3.132  -6.270
  238    HG3  LYS  37           1HG      LYS  37  -2.933   3.076  -6.463
  239    HD2  LYS  37           2HD      LYS  37  -1.941   3.385  -8.655
  240    HD3  LYS  37           1HD      LYS  37  -2.734   4.891  -8.194
  241    HE2  LYS  37           2HE      LYS  37  -0.667   5.943  -7.670
  242    HE3  LYS  37           1HE      LYS  37   0.201   4.408  -7.649
  243    HZ1  LYS  37           3HZ      LYS  37  -0.915   5.830  -9.995
  244    HZ2  LYS  37           1HZ      LYS  37  -0.399   4.214 -10.059
  245    HZ3  LYS  37           2HZ      LYS  37   0.711   5.443  -9.685
  246    H    GLU  38           H        GLU  38  -2.913   6.579  -3.208
  247    HA   GLU  38           HA       GLU  38  -0.602   8.088  -2.788
  248    HB2  GLU  38           2HB      GLU  38  -3.312   8.267  -1.469
  249    HB3  GLU  38           1HB      GLU  38  -2.040   9.471  -1.262
  250    HG2  GLU  38           2HG      GLU  38  -1.973   9.555  -3.848
  251    HG3  GLU  38           1HG      GLU  38  -3.531   8.734  -3.779
  252    H    HIS  39           H        HIS  39  -2.320   5.958  -0.469
  253    HA   HIS  39           HA       HIS  39  -0.456   6.716   1.624
  254    HB2  HIS  39           2HB      HIS  39  -1.778   5.543   3.144
  255    HB3  HIS  39           1HB      HIS  39  -2.935   6.166   1.977
  256    HD1  HIS  39           1HD      HIS  39  -4.676   4.470   1.496
  257    HD2  HIS  39           2HD      HIS  39  -0.985   2.664   2.173
  258    HE1  HIS  39           1HE      HIS  39  -5.067   1.972   1.379
  259    HE2  HIS  39           2HE      HIS  39  -2.820   0.859   1.764
  260    H    LEU  40           H        LEU  40  -0.865   3.956  -0.539
  261    HA   LEU  40           HA       LEU  40   0.990   2.211   0.700
  262    HB2  LEU  40           2HB      LEU  40  -0.648   1.660  -1.179
  263    HB3  LEU  40           1HB      LEU  40   0.536   2.369  -2.281
  264    HG   LEU  40           HG       LEU  40   2.226   0.769  -1.107
  265   HD11  LEU  40          1HD1      LEU  40   0.780   0.091   0.739
  266   HD12  LEU  40          2HD1      LEU  40   1.124  -1.313  -0.274
  267   HD13  LEU  40          3HD1      LEU  40  -0.436  -0.500  -0.394
  268   HD21  LEU  40          3HD2      LEU  40   0.989   0.624  -3.461
  269   HD22  LEU  40          1HD2      LEU  40   0.181  -0.749  -2.702
  270   HD23  LEU  40          2HD2      LEU  40   1.938  -0.733  -2.860
  271    H    GLN  41           H        GLN  41   1.421   4.994  -1.373
  272    HA   GLN  41           HA       GLN  41   4.075   4.562  -2.243
  273    HB2  GLN  41           2HB      GLN  41   2.462   6.326  -3.086
  274    HB3  GLN  41           1HB      GLN  41   2.840   7.251  -1.633
  275    HG2  GLN  41           2HG      GLN  41   4.311   8.070  -3.323
  276    HG3  GLN  41           1HG      GLN  41   5.292   7.031  -2.286
  277   HE21  GLN  41          1HE2      GLN  41   3.127   6.534  -5.148
  278   HE22  GLN  41          2HE2      GLN  41   4.222   5.519  -5.972
  279    H    ARG  42           H        ARG  42   2.761   6.007   0.716
  280    HA   ARG  42           HA       ARG  42   5.350   6.775   1.741
  281    HB2  ARG  42           2HB      ARG  42   2.592   6.676   2.977
  282    HB3  ARG  42           1HB      ARG  42   4.030   7.129   3.893
  283    HG2  ARG  42           2HG      ARG  42   4.430   8.778   1.867
  284    HG3  ARG  42           1HG      ARG  42   2.696   8.572   1.626
  285    HD2  ARG  42           2HD      ARG  42   2.248   9.305   3.911
  286    HD3  ARG  42           1HD      ARG  42   3.974   9.403   4.251
  287    HE   ARG  42           HE       ARG  42   3.160  11.035   2.007
  288   HH11  ARG  42          1HH2      ARG  42   3.462  10.945   5.510
  289   HH12  ARG  42          2HH2      ARG  42   3.554  12.664   5.649
  290   HH21  ARG  42          1HH1      ARG  42   3.256  13.264   2.259
  291   HH22  ARG  42          2HH1      ARG  42   3.428  13.966   3.834
  292    H    GLN  43           H        GLN  43   3.261   3.963   1.934
  293    HA   GLN  43           HA       GLN  43   4.568   2.737   4.180
  294    HB2  GLN  43           2HB      GLN  43   2.812   1.552   2.016
  295    HB3  GLN  43           1HB      GLN  43   3.306   0.716   3.486
  296    HG2  GLN  43           2HG      GLN  43   2.077   3.375   3.952
  297    HG3  GLN  43           1HG      GLN  43   0.996   2.196   3.219
  298   HE21  GLN  43          1HE2      GLN  43   3.343   2.417   5.966
  299   HE22  GLN  43          2HE2      GLN  43   2.433   1.424   7.001
  300    H    GLN  44           H        GLN  44   4.917   2.592   0.661
  301    HA   GLN  44           HA       GLN  44   6.755   0.396   0.647
  302    HB2  GLN  44           2HB      GLN  44   5.311   1.166  -1.301
  303    HB3  GLN  44           1HB      GLN  44   6.468   2.481  -1.518
  304    HG2  GLN  44           2HG      GLN  44   8.297   0.826  -1.737
  305    HG3  GLN  44           1HG      GLN  44   7.132  -0.477  -1.550
  306   HE21  GLN  44          1HE2      GLN  44   5.987  -1.144  -3.404
  307   HE22  GLN  44          2HE2      GLN  44   6.114  -0.369  -4.921
  308    H    ASN  45           H        ASN  45   7.130   3.827   1.172
  309    HA   ASN  45           HA       ASN  45   9.712   4.331   0.319
  310    HB2  ASN  45           2HB      ASN  45   8.058   5.940   1.399
  311    HB3  ASN  45           1HB      ASN  45   8.647   5.342   2.950
  312   HD21  ASN  45          1HD2      ASN  45   9.306   7.560   0.391
  313   HD22  ASN  45          2HD2      ASN  45  10.867   8.020   0.908
  314    H    SER  46           H        SER  46   8.726   2.790   3.375
  315    HA   SER  46           HA       SER  46  11.517   2.446   4.169
  316    HB2  SER  46           2HB      SER  46  10.584   1.505   6.236
  317    HB3  SER  46           1HB      SER  46   9.859   3.069   5.874
  318    HG   SER  46           HG       SER  46   8.147   1.798   6.264
  319    H    GLY  47           H        GLY  47   8.688   0.349   3.538
  320    HA2  GLY  47           2HA      GLY  47   8.724  -1.671   2.321
  321    HA3  GLY  47           1HA      GLY  47  10.480  -1.702   2.466
  322    H    ARG  48           H        ARG  48  11.022  -1.594   5.069
  323    HA   ARG  48           HA       ARG  48   9.435  -3.741   6.350
  324    HB2  ARG  48           2HB      ARG  48  11.715  -4.445   5.312
  325    HB3  ARG  48           1HB      ARG  48  12.418  -3.575   6.674
  326    HG2  ARG  48           2HG      ARG  48  10.658  -4.987   8.072
  327    HG3  ARG  48           1HG      ARG  48  10.741  -6.063   6.678
  328    HD2  ARG  48           2HD      ARG  48  13.165  -6.252   6.924
  329    HD3  ARG  48           1HD      ARG  48  13.146  -5.092   8.248
  330    HE   ARG  48           HE       ARG  48  12.456  -6.793   9.660
  331   HH11  ARG  48          1HH2      ARG  48  11.876  -7.798   6.340
  332   HH12  ARG  48          2HH2      ARG  48  11.489  -9.421   6.789
  333   HH21  ARG  48          1HH1      ARG  48  11.945  -8.921  10.181
  334   HH22  ARG  48          2HH1      ARG  48  11.529 -10.052   8.938
  335    H    MET  49           H        MET  49   8.397  -2.449   7.820
  336    HA   MET  49           HA       MET  49  10.115  -0.967   9.731
  337    HB2  MET  49           2HB      MET  49   8.550   0.432   8.272
  338    HB3  MET  49           1HB      MET  49   7.221  -0.331   9.145
  339    HG2  MET  49           2HG      MET  49   8.095   0.493  11.271
  340    HG3  MET  49           1HG      MET  49   9.499   1.182  10.454
  341    HE1  MET  49           3HE      MET  49   7.864   2.627  12.384
  342    HE2  MET  49           1HE      MET  49   6.209   2.130  12.006
  343    HE3  MET  49           2HE      MET  49   6.692   3.813  11.815
  344    H    SER  50           H        SER  50   6.801  -2.302   9.536
  345    HA   SER  50           HA       SER  50   7.061  -3.234  12.319
  346    HB2  SER  50           2HB      SER  50   4.565  -3.133  10.621
  347    HB3  SER  50           1HB      SER  50   4.669  -3.332  12.369
  348    HG   SER  50           HG       SER  50   4.202  -1.154  11.600
  349    HA   PRO  51           HA       PRO  51   7.359  -7.543  11.387
  350    HB2  PRO  51           2HB      PRO  51   4.876  -8.091  12.942
  351    HB3  PRO  51           1HB      PRO  51   6.509  -8.750  13.145
  352    HG2  PRO  51           2HG      PRO  51   5.501  -6.934  14.817
  353    HG3  PRO  51           1HG      PRO  51   7.220  -6.974  14.393
  354    HD2  PRO  51           2HD      PRO  51   5.100  -5.077  13.486
  355    HD3  PRO  51           1HD      PRO  51   6.835  -4.795  13.744
  356    H    MET  52           H        MET  52   6.869  -8.544   9.522
  357    HA   MET  52           HA       MET  52   4.189  -8.166   8.345
  358    HB2  MET  52           2HB      MET  52   6.407  -7.563   7.126
  359    HB3  MET  52           1HB      MET  52   6.558  -9.304   6.886
  360    HG2  MET  52           2HG      MET  52   4.526  -9.418   5.651
  361    HG3  MET  52           1HG      MET  52   4.029  -7.810   6.175
  362    HE1  MET  52           3HE      MET  52   3.653  -8.650   3.602
  363    HE2  MET  52           1HE      MET  52   4.647  -7.974   2.304
  364    HE3  MET  52           2HE      MET  52   3.709  -6.907   3.345
  365    H    GLY  53           H        GLY  53   6.614 -10.650   9.102
  366    HA2  GLY  53           2HA      GLY  53   6.027 -12.811   9.933
  367    HA3  GLY  53           1HA      GLY  53   4.473 -12.676   9.114
  368    H    THR  54           H        THR  54   5.079 -12.034   6.571
  369    HA   THR  54           HA       THR  54   6.401 -14.457   5.603
  370    HB   THR  54           HB       THR  54   5.040 -12.342   3.936
  371    HG1  THR  54           1HG      THR  54   3.170 -13.602   4.210
  372   HG21  THR  54          3HG2      THR  54   5.561 -15.306   3.578
  373   HG22  THR  54          1HG2      THR  54   6.360 -13.991   2.714
  374   HG23  THR  54          2HG2      THR  54   4.643 -14.302   2.456
  375    H    ALA  55           H        ALA  55   8.215 -14.483   4.315
  376    HA   ALA  55           HA       ALA  55   9.555 -11.903   3.766
  377    HB1  ALA  55           1HB      ALA  55  10.633 -14.304   5.215
  378    HB2  ALA  55           2HB      ALA  55  10.779 -12.597   5.632
  379    HB3  ALA  55           3HB      ALA  55  11.719 -13.262   4.296
  380    H    SER  56           H        SER  56   9.667 -15.426   3.172
  381    HA   SER  56           HA       SER  56  10.928 -15.025   0.581
  382    HB2  SER  56           2HB      SER  56  11.317 -16.977   2.275
  383    HB3  SER  56           1HB      SER  56   9.858 -17.653   1.559
  384    HG   SER  56           HG       SER  56  11.130 -18.292   0.020
  385    H    GLY  57           H        GLY  57   7.780 -15.977   1.890
  386    HA2  GLY  57           2HA      GLY  57   5.731 -15.452   0.772
  387    HA3  GLY  57           1HA      GLY  57   6.585 -15.519  -0.767
  388    H    SER  58           H        SER  58   6.720 -17.872   1.883
  389    HA   SER  58           HA       SER  58   6.101 -20.026   0.031
  390    HB2  SER  58           2HB      SER  58   6.558 -20.236   3.009
  391    HB3  SER  58           1HB      SER  58   6.735 -21.502   1.797
  392    HG   SER  58           HG       SER  58   8.456 -20.300   0.906
  393    H    ASN  59           H        ASN  59   4.804 -19.002   3.210
  394    HA   ASN  59           HA       ASN  59   2.310 -20.424   2.655
  395    HB2  ASN  59           2HB      ASN  59   3.561 -20.432   4.909
  396    HB3  ASN  59           1HB      ASN  59   2.914 -18.808   5.124
  397   HD21  ASN  59          1HD2      ASN  59   2.258 -21.681   6.302
  398   HD22  ASN  59          2HD2      ASN  59   0.562 -21.712   6.241
  399    H    SER  60           H        SER  60   0.406 -19.471   2.167
  400    HA   SER  60           HA       SER  60  -0.007 -16.625   2.590
  401    HB2  SER  60           2HB      SER  60   1.219 -16.921   0.355
  402    HB3  SER  60           1HB      SER  60  -0.262 -17.678  -0.226
  403    HG   SER  60           HG       SER  60  -1.363 -15.755   0.396
  404    HA   PRO  61           HA       PRO  61  -3.805 -19.221   3.213
  405    HB2  PRO  61           2HB      PRO  61  -4.552 -16.861   4.862
  406    HB3  PRO  61           1HB      PRO  61  -4.586 -18.586   5.275
  407    HG2  PRO  61           2HG      PRO  61  -2.748 -16.929   6.276
  408    HG3  PRO  61           1HG      PRO  61  -2.381 -18.620   5.890
  409    HD2  PRO  61           2HD      PRO  61  -1.642 -16.140   4.384
  410    HD3  PRO  61           1HD      PRO  61  -0.726 -17.648   4.597
  411    H    THR  62           H        THR  62  -5.920 -18.960   2.392
  412    HA   THR  62           HA       THR  62  -6.215 -16.782   0.465
  413    HB   THR  62           HB       THR  62  -8.226 -18.119  -0.258
  414    HG1  THR  62           1HG      THR  62  -8.852 -19.470   1.216
  415   HG21  THR  62          3HG2      THR  62  -5.563 -19.562  -0.130
  416   HG22  THR  62          1HG2      THR  62  -6.041 -18.382  -1.350
  417   HG23  THR  62          2HG2      THR  62  -6.870 -19.935  -1.252
  Start of MODEL   10
    1    H1   GLY   1           1HT      GLY   1 -32.213   0.423  29.949
    2    H2   GLY   1           2HT      GLY   1 -33.873   0.215  29.648
    3    H3   GLY   1           3HT      GLY   1 -32.889   0.995  28.502
    4    HA2  GLY   1           2HA      GLY   1 -32.508  -1.829  29.325
    5    HA3  GLY   1           1HA      GLY   1 -33.473  -1.344  27.929
    6    H    SER   2           H        SER   2 -30.360  -2.081  29.045
    7    HA   SER   2           HA       SER   2 -28.900  -0.585  27.035
    8    HB2  SER   2           2HB      SER   2 -27.978  -2.781  28.901
    9    HB3  SER   2           1HB      SER   2 -26.936  -1.750  27.926
   10    HG   SER   2           HG       SER   2 -27.204  -0.195  29.320
   11    H    MET   3           H        MET   3 -28.736  -1.207  24.983
   12    HA   MET   3           HA       MET   3 -28.365  -4.021  24.321
   13    HB2  MET   3           2HB      MET   3 -30.174  -3.962  22.595
   14    HB3  MET   3           1HB      MET   3 -30.781  -3.875  24.247
   15    HG2  MET   3           2HG      MET   3 -30.763  -1.328  23.964
   16    HG3  MET   3           1HG      MET   3 -30.521  -1.625  22.242
   17    HE1  MET   3           3HE      MET   3 -31.689  -3.559  21.173
   18    HE2  MET   3           1HE      MET   3 -32.703  -2.241  20.565
   19    HE3  MET   3           2HE      MET   3 -33.445  -3.722  21.163
   20    H    ALA   4           H        ALA   4 -26.699  -1.641  24.197
   21    HA   ALA   4           HA       ALA   4 -26.448  -1.173  21.294
   22    HB1  ALA   4           1HB      ALA   4 -25.149   0.764  21.853
   23    HB2  ALA   4           2HB      ALA   4 -25.020   0.263  23.539
   24    HB3  ALA   4           3HB      ALA   4 -26.575   0.779  22.890
   25    H    GLN   5           H        GLN   5 -25.621  -3.693  22.578
   26    HA   GLN   5           HA       GLN   5 -22.683  -3.565  22.371
   27    HB2  GLN   5           2HB      GLN   5 -23.832  -4.654  24.369
   28    HB3  GLN   5           1HB      GLN   5 -24.344  -5.926  23.257
   29    HG2  GLN   5           2HG      GLN   5 -22.047  -6.456  22.707
   30    HG3  GLN   5           1HG      GLN   5 -21.460  -5.076  23.634
   31   HE21  GLN   5          1HE2      GLN   5 -22.172  -8.416  23.822
   32   HE22  GLN   5          2HE2      GLN   5 -22.125  -8.566  25.520
   33    H    GLU   6           H        GLU   6 -25.487  -5.413  21.167
   34    HA   GLU   6           HA       GLU   6 -23.812  -6.396  18.928
   35    HB2  GLU   6           2HB      GLU   6 -25.085  -7.989  20.579
   36    HB3  GLU   6           1HB      GLU   6 -26.498  -7.542  19.624
   37    HG2  GLU   6           2HG      GLU   6 -25.075  -8.131  17.561
   38    HG3  GLU   6           1HG      GLU   6 -23.978  -8.918  18.694
   39    H    THR   7           H        THR   7 -24.223  -5.665  16.938
   40    HA   THR   7           HA       THR   7 -26.773  -4.231  16.451
   41    HB   THR   7           HB       THR   7 -24.888  -2.707  16.316
   42    HG1  THR   7           1HG      THR   7 -25.274  -1.984  14.268
   43   HG21  THR   7          3HG2      THR   7 -23.235  -3.260  14.320
   44   HG22  THR   7          1HG2      THR   7 -23.697  -4.924  14.684
   45   HG23  THR   7          2HG2      THR   7 -22.947  -3.926  15.929
   46    H    ASN   8           H        ASN   8 -27.634  -4.370  14.259
   47    HA   ASN   8           HA       ASN   8 -27.177  -7.042  13.097
   48    HB2  ASN   8           2HB      ASN   8 -29.482  -5.096  12.833
   49    HB3  ASN   8           1HB      ASN   8 -29.379  -6.638  11.982
   50   HD21  ASN   8          1HD2      ASN   8 -28.703  -8.526  13.714
   51   HD22  ASN   8          2HD2      ASN   8 -29.662  -8.523  15.124
   52    H    GLN   9           H        GLN   9 -25.330  -4.843  12.603
   53    HA   GLN   9           HA       GLN   9 -25.876  -3.970   9.871
   54    HB2  GLN   9           2HB      GLN   9 -24.799  -2.522  11.699
   55    HB3  GLN   9           1HB      GLN   9 -23.344  -3.483  11.430
   56    HG2  GLN   9           2HG      GLN   9 -23.605  -2.927   8.949
   57    HG3  GLN   9           1HG      GLN   9 -24.805  -1.734   9.442
   58   HE21  GLN   9          1HE2      GLN   9 -23.688  -0.632  11.735
   59   HE22  GLN   9          2HE2      GLN   9 -22.189   0.092  11.366
   60    H    THR  10           H        THR  10 -25.470  -5.371   8.275
   61    HA   THR  10           HA       THR  10 -23.423  -7.423   8.576
   62    HB   THR  10           HB       THR  10 -24.249  -8.063   6.243
   63    HG1  THR  10           1HG      THR  10 -25.350  -6.477   5.406
   64   HG21  THR  10          3HG2      THR  10 -26.144  -7.974   8.602
   65   HG22  THR  10          1HG2      THR  10 -25.030  -9.276   8.179
   66   HG23  THR  10          2HG2      THR  10 -26.425  -8.940   7.153
   67    HA   PRO  11           HA       PRO  11 -20.396  -5.034   6.348
   68    HB2  PRO  11           2HB      PRO  11 -18.681  -6.984   5.539
   69    HB3  PRO  11           1HB      PRO  11 -18.823  -6.482   7.234
   70    HG2  PRO  11           2HG      PRO  11 -19.946  -8.870   5.867
   71    HG3  PRO  11           1HG      PRO  11 -19.268  -8.712   7.496
   72    HD2  PRO  11           2HD      PRO  11 -21.979  -8.758   6.944
   73    HD3  PRO  11           1HD      PRO  11 -21.269  -8.029   8.400
   74    H    GLY  12           H        GLY  12 -20.030  -4.296   4.259
   75    HA2  GLY  12           2HA      GLY  12 -20.128  -5.777   1.889
   76    HA3  GLY  12           1HA      GLY  12 -21.748  -5.137   2.164
   77    HA   PRO  13           HA       PRO  13 -20.314  -1.224   0.636
   78    HB2  PRO  13           2HB      PRO  13 -21.581   0.658   2.091
   79    HB3  PRO  13           1HB      PRO  13 -22.471  -0.488   1.063
   80    HG2  PRO  13           2HG      PRO  13 -22.129  -0.459   4.011
   81    HG3  PRO  13           1HG      PRO  13 -23.521  -0.964   3.033
   82    HD2  PRO  13           2HD      PRO  13 -21.612  -2.686   4.184
   83    HD3  PRO  13           1HD      PRO  13 -22.779  -3.123   2.916
   84    H    MET  14           H        MET  14 -18.092  -1.889   1.595
   85    HA   MET  14           HA       MET  14 -17.124  -0.571   3.935
   86    HB2  MET  14           2HB      MET  14 -15.757  -1.910   1.600
   87    HB3  MET  14           1HB      MET  14 -14.856  -1.161   2.918
   88    HG2  MET  14           2HG      MET  14 -16.367  -2.591   4.475
   89    HG3  MET  14           1HG      MET  14 -16.719  -3.527   3.021
   90    HE1  MET  14           3HE      MET  14 -14.188  -5.480   5.324
   91    HE2  MET  14           1HE      MET  14 -15.848  -4.872   5.254
   92    HE3  MET  14           2HE      MET  14 -14.593  -3.933   6.060
   93    H    LEU  15           H        LEU  15 -17.439   1.633   3.882
   94    HA   LEU  15           HA       LEU  15 -16.748   3.251   1.610
   95    HB2  LEU  15           2HB      LEU  15 -17.994   3.623   4.219
   96    HB3  LEU  15           1HB      LEU  15 -16.831   4.902   3.911
   97    HG   LEU  15           HG       LEU  15 -19.098   5.499   3.122
   98   HD11  LEU  15          1HD1      LEU  15 -16.860   5.185   1.154
   99   HD12  LEU  15          2HD1      LEU  15 -17.445   6.644   1.937
  100   HD13  LEU  15          3HD1      LEU  15 -18.387   5.897   0.647
  101   HD21  LEU  15          3HD2      LEU  15 -20.305   4.271   1.547
  102   HD22  LEU  15          1HD2      LEU  15 -19.530   2.977   2.463
  103   HD23  LEU  15          2HD2      LEU  15 -18.864   3.480   0.909
  104    H    CYS  16           H        CYS  16 -14.879   4.444   1.245
  105    HA   CYS  16           HA       CYS  16 -12.407   3.566   1.844
  106    HB2  CYS  16           2HB      CYS  16 -13.051   5.458   0.282
  107    HB3  CYS  16           1HB      CYS  16 -12.971   6.528   1.687
  108    H    SER  17           H        SER  17 -10.897   3.629   3.387
  109    HA   SER  17           HA       SER  17 -11.580   4.055   6.085
  110    HB2  SER  17           2HB      SER  17  -8.900   3.782   4.717
  111    HB3  SER  17           1HB      SER  17  -9.090   3.851   6.469
  112    HG   SER  17           HG       SER  17  -9.385   1.773   6.236
  113    H    THR  18           H        THR  18 -10.295   6.274   3.698
  114    HA   THR  18           HA       THR  18  -9.470   8.206   5.714
  115    HB   THR  18           HB       THR  18  -8.666   9.532   3.834
  116    HG1  THR  18           1HG      THR  18  -9.944   9.270   2.165
  117   HG21  THR  18          3HG2      THR  18  -7.192   7.689   2.758
  118   HG22  THR  18          1HG2      THR  18  -8.014   6.587   3.858
  119   HG23  THR  18          2HG2      THR  18  -7.067   7.929   4.500
  120    H    GLY  19           H        GLY  19 -12.425   7.457   4.252
  121    HA2  GLY  19           2HA      GLY  19 -14.445   8.547   4.275
  122    HA3  GLY  19           1HA      GLY  19 -13.693   9.780   5.283
  123    H    CYS  20           H        CYS  20 -12.796   8.777   1.986
  124    HA   CYS  20           HA       CYS  20 -12.919  11.559   1.148
  125    HB2  CYS  20           2HB      CYS  20 -11.676  10.913  -0.785
  126    HB3  CYS  20           1HB      CYS  20 -10.976  10.047   0.578
  127    H    GLY  21           H        GLY  21 -15.074   8.901   1.080
  128    HA2  GLY  21           2HA      GLY  21 -17.349   9.229   0.425
  129    HA3  GLY  21           1HA      GLY  21 -16.807  10.363  -0.801
  130    H    PHE  22           H        PHE  22 -14.679   7.933  -1.221
  131    HA   PHE  22           HA       PHE  22 -16.202   6.777  -3.409
  132    HB2  PHE  22           2HB      PHE  22 -13.284   6.742  -2.632
  133    HB3  PHE  22           1HB      PHE  22 -13.924   5.733  -3.929
  134    HD1  PHE  22           1HD      PHE  22 -14.212   9.319  -2.775
  135    HD2  PHE  22           2HD      PHE  22 -13.779   6.593  -6.070
  136    HE1  PHE  22           1HE      PHE  22 -14.133  11.233  -4.349
  137    HE2  PHE  22           2HE      PHE  22 -13.695   8.508  -7.641
  138    HZ   PHE  22           HZ       PHE  22 -13.875  10.828  -6.783
  139    H    TYR  23           H        TYR  23 -15.473   4.346  -3.818
  140    HA   TYR  23           HA       TYR  23 -16.468   2.854  -1.502
  141    HB2  TYR  23           2HB      TYR  23 -17.168   2.642  -4.041
  142    HB3  TYR  23           1HB      TYR  23 -15.754   1.587  -4.124
  143    HD1  TYR  23           2HD      TYR  23 -18.529   2.169  -1.641
  144    HD2  TYR  23           1HD      TYR  23 -16.296  -0.667  -3.973
  145    HE1  TYR  23           2HE      TYR  23 -19.896   0.325  -0.707
  146    HE2  TYR  23           1HE      TYR  23 -17.669  -2.511  -3.046
  147    HH   TYR  23           HH       TYR  23 -20.529  -2.149  -1.642
  148    H    GLY  24           H        GLY  24 -15.284   1.465  -0.302
  149    HA2  GLY  24           2HA      GLY  24 -12.384   1.314  -0.851
  150    HA3  GLY  24           1HA      GLY  24 -13.153   1.031   0.711
  151    H    ASN  25           H        ASN  25 -11.328  -0.604  -1.135
  152    HA   ASN  25           HA       ASN  25 -13.008  -2.989  -1.542
  153    HB2  ASN  25           2HB      ASN  25 -11.214  -1.954  -3.232
  154    HB3  ASN  25           1HB      ASN  25 -10.113  -2.964  -2.297
  155   HD21  ASN  25          1HD2      ASN  25 -13.334  -3.225  -3.926
  156   HD22  ASN  25          2HD2      ASN  25 -13.085  -4.825  -4.463
  157    HA   PRO  26           HA       PRO  26 -11.209  -4.654   2.205
  158    HB2  PRO  26           2HB      PRO  26 -12.094  -7.217   2.062
  159    HB3  PRO  26           1HB      PRO  26 -13.132  -5.842   2.474
  160    HG2  PRO  26           2HG      PRO  26 -12.872  -7.310  -0.091
  161    HG3  PRO  26           1HG      PRO  26 -14.318  -6.642   0.686
  162    HD2  PRO  26           2HD      PRO  26 -12.968  -5.418  -1.399
  163    HD3  PRO  26           1HD      PRO  26 -14.006  -4.563  -0.237
  164    H    ARG  27           H        ARG  27 -10.518  -5.968  -0.967
  165    HA   ARG  27           HA       ARG  27  -8.448  -7.780  -0.106
  166    HB2  ARG  27           2HB      ARG  27  -9.437  -6.735  -2.738
  167    HB3  ARG  27           1HB      ARG  27  -7.849  -7.495  -2.663
  168    HG2  ARG  27           2HG      ARG  27  -9.120  -9.377  -3.053
  169    HG3  ARG  27           1HG      ARG  27  -9.208  -9.349  -1.294
  170    HD2  ARG  27           2HD      ARG  27 -11.344  -8.058  -1.467
  171    HD3  ARG  27           1HD      ARG  27 -11.269  -8.233  -3.216
  172    HE   ARG  27           HE       ARG  27 -11.075 -10.808  -2.289
  173   HH11  ARG  27          1HH2      ARG  27 -13.401  -8.208  -1.826
  174   HH12  ARG  27          2HH2      ARG  27 -14.716  -9.295  -1.545
  175   HH21  ARG  27          1HH1      ARG  27 -12.818 -12.172  -1.913
  176   HH22  ARG  27          2HH1      ARG  27 -14.392 -11.520  -1.600
  177    H    THR  28           H        THR  28  -8.687  -4.421  -1.062
  178    HA   THR  28           HA       THR  28  -5.807  -4.044  -1.239
  179    HB   THR  28           HB       THR  28  -6.353  -1.690  -1.625
  180    HG1  THR  28           1HG      THR  28  -8.235  -0.878  -1.084
  181   HG21  THR  28          3HG2      THR  28  -7.951  -1.945  -3.552
  182   HG22  THR  28          1HG2      THR  28  -8.220  -3.611  -3.040
  183   HG23  THR  28          2HG2      THR  28  -6.617  -3.099  -3.572
  184    H    ASN  29           H        ASN  29  -5.863  -1.472   0.300
  185    HA   ASN  29           HA       ASN  29  -5.591  -2.648   2.972
  186    HB2  ASN  29           2HB      ASN  29  -4.531  -0.207   1.617
  187    HB3  ASN  29           1HB      ASN  29  -4.726  -0.152   3.370
  188   HD21  ASN  29          1HD2      ASN  29  -3.694  -2.860   1.195
  189   HD22  ASN  29          2HD2      ASN  29  -2.225  -3.133   2.014
  190    H    GLY  30           H        GLY  30  -8.294  -2.076   1.751
  191    HA2  GLY  30           2HA      GLY  30 -10.322  -1.461   2.680
  192    HA3  GLY  30           1HA      GLY  30  -9.451  -0.743   4.038
  193    H    MET  31           H        MET  31  -8.335   0.220   0.898
  194    HA   MET  31           HA       MET  31  -9.760   2.802   1.154
  195    HB2  MET  31           2HB      MET  31  -6.919   2.155   0.389
  196    HB3  MET  31           1HB      MET  31  -7.678   3.683  -0.065
  197    HG2  MET  31           2HG      MET  31  -8.022   4.304   2.208
  198    HG3  MET  31           1HG      MET  31  -7.658   2.677   2.783
  199    HE1  MET  31           3HE      MET  31  -4.605   4.036   4.319
  200    HE2  MET  31           1HE      MET  31  -5.401   2.472   4.110
  201    HE3  MET  31           2HE      MET  31  -6.355   3.907   4.472
  202    H    CYS  32           H        CYS  32 -10.053   3.980  -0.819
  203    HA   CYS  32           HA       CYS  32 -11.033   2.332  -2.941
  204    HB2  CYS  32           2HB      CYS  32 -11.832   4.395  -3.930
  205    HB3  CYS  32           1HB      CYS  32 -12.145   4.446  -2.198
  206    H    SER  33           H        SER  33 -10.350   3.914  -5.235
  207    HA   SER  33           HA       SER  33  -7.823   2.711  -5.869
  208    HB2  SER  33           2HB      SER  33  -9.988   3.371  -7.348
  209    HB3  SER  33           1HB      SER  33  -8.939   4.732  -7.728
  210    HG   SER  33           HG       SER  33  -8.421   3.116  -9.143
  211    H    VAL  34           H        VAL  34  -8.880   6.089  -5.412
  212    HA   VAL  34           HA       VAL  34  -6.383   7.255  -6.130
  213    HB   VAL  34           HB       VAL  34  -8.412   8.531  -4.289
  214   HG11  VAL  34          1HG1      VAL  34  -6.176   9.620  -4.788
  215   HG12  VAL  34          2HG1      VAL  34  -7.589  10.584  -5.215
  216   HG13  VAL  34          3HG1      VAL  34  -6.694   9.729  -6.469
  217   HG21  VAL  34          3HG2      VAL  34  -9.775   7.764  -6.099
  218   HG22  VAL  34          1HG2      VAL  34  -8.530   8.142  -7.290
  219   HG23  VAL  34          2HG2      VAL  34  -9.397   9.444  -6.474
  220    H    CYS  35           H        CYS  35  -7.840   6.532  -2.987
  221    HA   CYS  35           HA       CYS  35  -5.691   7.581  -1.437
  222    HB2  CYS  35           2HB      CYS  35  -7.930   5.699  -0.660
  223    HB3  CYS  35           1HB      CYS  35  -6.838   6.506   0.471
  224    H    TYR  36           H        TYR  36  -6.502   4.316  -2.568
  225    HA   TYR  36           HA       TYR  36  -4.685   2.930  -0.918
  226    HB2  TYR  36           2HB      TYR  36  -6.522   1.824  -2.120
  227    HB3  TYR  36           1HB      TYR  36  -5.702   2.124  -3.655
  228    HD1  TYR  36           1HD      TYR  36  -4.567   0.883  -0.274
  229    HD2  TYR  36           2HD      TYR  36  -4.785   0.169  -4.505
  230    HE1  TYR  36           1HE      TYR  36  -3.259  -1.196   0.010
  231    HE2  TYR  36           2HE      TYR  36  -3.473  -1.915  -4.219
  232    HH   TYR  36           HH       TYR  36  -3.093  -3.478  -1.437
  233    H    LYS  37           H        LYS  37  -4.185   4.474  -4.095
  234    HA   LYS  37           HA       LYS  37  -1.526   3.402  -4.359
  235    HB2  LYS  37           2HB      LYS  37  -1.302   4.917  -6.277
  236    HB3  LYS  37           1HB      LYS  37  -2.817   4.024  -6.367
  237    HG2  LYS  37           2HG      LYS  37  -3.971   6.011  -5.351
  238    HG3  LYS  37           1HG      LYS  37  -2.455   6.898  -5.462
  239    HD2  LYS  37           2HD      LYS  37  -3.074   5.642  -8.016
  240    HD3  LYS  37           1HD      LYS  37  -4.438   6.609  -7.470
  241    HE2  LYS  37           2HE      LYS  37  -1.778   7.896  -7.180
  242    HE3  LYS  37           1HE      LYS  37  -2.326   7.637  -8.833
  243    HZ1  LYS  37           3HZ      LYS  37  -3.829   9.032  -6.687
  244    HZ2  LYS  37           1HZ      LYS  37  -4.426   8.722  -8.245
  245    HZ3  LYS  37           2HZ      LYS  37  -3.094   9.756  -8.036
  246    H    GLU  38           H        GLU  38  -2.974   6.472  -3.359
  247    HA   GLU  38           HA       GLU  38  -0.594   7.917  -2.905
  248    HB2  GLU  38           2HB      GLU  38  -3.350   8.148  -1.680
  249    HB3  GLU  38           1HB      GLU  38  -2.055   9.309  -1.385
  250    HG2  GLU  38           2HG      GLU  38  -2.956   8.554  -4.173
  251    HG3  GLU  38           1HG      GLU  38  -3.672   9.899  -3.278
  252    H    HIS  39           H        HIS  39  -2.628   5.994  -0.665
  253    HA   HIS  39           HA       HIS  39  -1.170   6.396   1.687
  254    HB2  HIS  39           2HB      HIS  39  -3.442   5.255   1.348
  255    HB3  HIS  39           1HB      HIS  39  -2.529   3.807   0.919
  256    HD1  HIS  39           1HD      HIS  39  -2.675   6.311   3.805
  257    HD2  HIS  39           2HD      HIS  39  -1.890   2.273   3.109
  258    HE1  HIS  39           1HE      HIS  39  -2.335   5.245   6.077
  259    HE2  HIS  39           2HE      HIS  39  -1.846   2.788   5.671
  260    H    LEU  40           H        LEU  40  -0.856   3.848  -0.774
  261    HA   LEU  40           HA       LEU  40   1.173   2.369   0.479
  262    HB2  LEU  40           2HB      LEU  40  -0.210   2.349  -2.047
  263    HB3  LEU  40           1HB      LEU  40   1.513   2.115  -2.344
  264    HG   LEU  40           HG       LEU  40   1.472   0.332  -0.533
  265   HD11  LEU  40          1HD1      LEU  40  -1.482   0.926  -0.769
  266   HD12  LEU  40          2HD1      LEU  40  -0.500   0.839   0.695
  267   HD13  LEU  40          3HD1      LEU  40  -0.892  -0.633  -0.195
  268   HD21  LEU  40          3HD2      LEU  40  -0.420  -0.216  -2.837
  269   HD22  LEU  40          1HD2      LEU  40   0.649  -1.363  -2.027
  270   HD23  LEU  40          2HD2      LEU  40   1.328  -0.088  -3.037
  271    H    GLN  41           H        GLN  41   1.401   5.375  -1.368
  272    HA   GLN  41           HA       GLN  41   4.059   5.293  -2.203
  273    HB2  GLN  41           2HB      GLN  41   2.139   7.120  -2.449
  274    HB3  GLN  41           1HB      GLN  41   2.976   7.852  -1.081
  275    HG2  GLN  41           2HG      GLN  41   5.102   7.768  -2.357
  276    HG3  GLN  41           1HG      GLN  41   4.233   7.085  -3.736
  277   HE21  GLN  41          1HE2      GLN  41   2.825   8.517  -4.963
  278   HE22  GLN  41          2HE2      GLN  41   2.857  10.207  -4.738
  279    H    ARG  42           H        ARG  42   2.729   6.028   0.978
  280    HA   ARG  42           HA       ARG  42   5.310   6.748   2.077
  281    HB2  ARG  42           2HB      ARG  42   2.530   6.511   3.203
  282    HB3  ARG  42           1HB      ARG  42   3.928   6.735   4.257
  283    HG2  ARG  42           2HG      ARG  42   4.551   8.697   2.687
  284    HG3  ARG  42           1HG      ARG  42   2.892   8.580   2.105
  285    HD2  ARG  42           2HD      ARG  42   3.264   8.649   5.062
  286    HD3  ARG  42           1HD      ARG  42   3.596  10.135   4.189
  287    HE   ARG  42           HE       ARG  42   1.338  10.271   3.569
  288   HH11  ARG  42          1HH2      ARG  42   1.929   7.263   5.314
  289   HH12  ARG  42          2HH2      ARG  42   0.248   6.967   5.563
  290   HH21  ARG  42          1HH1      ARG  42  -0.822   9.815   3.929
  291   HH22  ARG  42          2HH1      ARG  42  -1.290   8.388   4.792
  292    H    GLN  43           H        GLN  43   3.282   3.898   1.897
  293    HA   GLN  43           HA       GLN  43   4.475   2.395   3.998
  294    HB2  GLN  43           2HB      GLN  43   2.279   1.968   2.660
  295    HB3  GLN  43           1HB      GLN  43   3.335   1.132   1.523
  296    HG2  GLN  43           2HG      GLN  43   2.693  -0.585   2.986
  297    HG3  GLN  43           1HG      GLN  43   4.255  -0.085   3.632
  298   HE21  GLN  43          1HE2      GLN  43   0.749   0.086   4.178
  299   HE22  GLN  43          2HE2      GLN  43   0.857   0.613   5.788
  300    H    GLN  44           H        GLN  44   5.190   2.690   0.536
  301    HA   GLN  44           HA       GLN  44   7.168   0.658   0.457
  302    HB2  GLN  44           2HB      GLN  44   7.843   1.632  -1.705
  303    HB3  GLN  44           1HB      GLN  44   6.099   1.421  -1.590
  304    HG2  GLN  44           2HG      GLN  44   5.839   3.802  -1.023
  305    HG3  GLN  44           1HG      GLN  44   7.584   4.023  -1.105
  306   HE21  GLN  44          1HE2      GLN  44   4.682   3.389  -3.059
  307   HE22  GLN  44          2HE2      GLN  44   5.410   3.753  -4.560
  308    H    ASN  45           H        ASN  45   7.406   4.151   1.069
  309    HA   ASN  45           HA       ASN  45  10.283   4.148   1.112
  310    HB2  ASN  45           2HB      ASN  45   8.750   6.158   0.668
  311    HB3  ASN  45           1HB      ASN  45   8.528   6.218   2.415
  312   HD21  ASN  45          1HD2      ASN  45  10.151   7.936   0.315
  313   HD22  ASN  45          2HD2      ASN  45  11.659   8.120   1.092
  314    H    SER  46           H        SER  46   7.734   4.177   3.605
  315    HA   SER  46           HA       SER  46   9.553   4.188   5.814
  316    HB2  SER  46           2HB      SER  46   7.258   4.982   6.085
  317    HB3  SER  46           1HB      SER  46   6.634   3.386   5.674
  318    HG   SER  46           HG       SER  46   7.249   2.643   7.581
  319    H    GLY  47           H        GLY  47   7.443   1.612   4.490
  320    HA2  GLY  47           2HA      GLY  47   8.217  -0.619   4.075
  321    HA3  GLY  47           1HA      GLY  47   9.461  -0.384   5.299
  322    H    ARG  48           H        ARG  48   8.158   0.500   7.473
  323    HA   ARG  48           HA       ARG  48   5.913  -1.337   7.991
  324    HB2  ARG  48           2HB      ARG  48   8.447  -1.147   9.643
  325    HB3  ARG  48           1HB      ARG  48   6.979  -1.983  10.157
  326    HG2  ARG  48           2HG      ARG  48   7.114  -3.411   8.123
  327    HG3  ARG  48           1HG      ARG  48   8.629  -2.620   7.694
  328    HD2  ARG  48           2HD      ARG  48   9.667  -3.412   9.761
  329    HD3  ARG  48           1HD      ARG  48   8.143  -4.127  10.280
  330    HE   ARG  48           HE       ARG  48   8.929  -5.145   7.728
  331   HH11  ARG  48          1HH2      ARG  48   9.679  -5.441  11.154
  332   HH12  ARG  48          2HH2      ARG  48  10.226  -7.073  10.991
  333   HH21  ARG  48          1HH1      ARG  48   9.659  -7.258   7.589
  334   HH22  ARG  48          2HH1      ARG  48  10.218  -8.089   9.003
  335    H    MET  49           H        MET  49   4.460   0.356   8.161
  336    HA   MET  49           HA       MET  49   5.037   2.657   9.828
  337    HB2  MET  49           2HB      MET  49   3.632   2.653   7.680
  338    HB3  MET  49           1HB      MET  49   2.351   1.943   8.663
  339    HG2  MET  49           2HG      MET  49   2.672   3.880  10.279
  340    HG3  MET  49           1HG      MET  49   3.699   4.623   9.055
  341    HE1  MET  49           3HE      MET  49   1.383   6.571   9.672
  342    HE2  MET  49           1HE      MET  49   1.131   6.908   7.952
  343    HE3  MET  49           2HE      MET  49   2.745   6.541   8.554
  344    H    SER  50           H        SER  50   2.345   0.292   9.862
  345    HA   SER  50           HA       SER  50   1.918   0.829  12.699
  346    HB2  SER  50           2HB      SER  50   0.414  -0.920  10.742
  347    HB3  SER  50           1HB      SER  50  -0.069  -0.620  12.409
  348    HG   SER  50           HG       SER  50   0.154   1.222  10.265
  349    HA   PRO  51           HA       PRO  51   4.023  -2.820  14.084
  350    HB2  PRO  51           2HB      PRO  51   2.658  -3.467  16.349
  351    HB3  PRO  51           1HB      PRO  51   3.710  -2.042  16.239
  352    HG2  PRO  51           2HG      PRO  51   0.744  -2.222  16.067
  353    HG3  PRO  51           1HG      PRO  51   1.759  -1.008  16.864
  354    HD2  PRO  51           2HD      PRO  51   0.583  -0.621  14.408
  355    HD3  PRO  51           1HD      PRO  51   2.074   0.197  14.923
  356    H    MET  52           H        MET  52   3.482  -5.160  14.981
  357    HA   MET  52           HA       MET  52   1.077  -6.265  13.698
  358    HB2  MET  52           2HB      MET  52   2.444  -8.090  12.686
  359    HB3  MET  52           1HB      MET  52   2.772  -6.509  11.985
  360    HG2  MET  52           2HG      MET  52   4.447  -7.418  14.305
  361    HG3  MET  52           1HG      MET  52   4.760  -8.123  12.722
  362    HE1  MET  52           3HE      MET  52   5.134  -6.248  10.415
  363    HE2  MET  52           1HE      MET  52   6.117  -7.450  11.263
  364    HE3  MET  52           2HE      MET  52   6.783  -5.860  10.901
  365    H    GLY  53           H        GLY  53   0.940  -8.709  14.221
  366    HA2  GLY  53           2HA      GLY  53   2.039 -10.233  16.060
  367    HA3  GLY  53           1HA      GLY  53   1.374  -8.987  17.111
  368    H    THR  54           H        THR  54  -1.050  -8.427  16.026
  369    HA   THR  54           HA       THR  54  -2.488 -10.952  15.631
  370    HB   THR  54           HB       THR  54  -4.130 -10.323  17.404
  371    HG1  THR  54           1HG      THR  54  -2.107  -8.449  18.067
  372   HG21  THR  54          3HG2      THR  54  -2.771 -11.106  19.257
  373   HG22  THR  54          1HG2      THR  54  -1.294 -10.622  18.424
  374   HG23  THR  54          2HG2      THR  54  -2.267 -11.950  17.794
  375    H    ALA  55           H        ALA  55  -3.647 -10.611  13.841
  376    HA   ALA  55           HA       ALA  55  -4.888  -7.950  13.429
  377    HB1  ALA  55           1HB      ALA  55  -3.190  -8.550  11.729
  378    HB2  ALA  55           2HB      ALA  55  -4.804  -8.415  11.034
  379    HB3  ALA  55           3HB      ALA  55  -4.110 -10.006  11.344
  380    H    SER  56           H        SER  56  -6.725  -8.561  14.693
  381    HA   SER  56           HA       SER  56  -8.725  -9.998  13.138
  382    HB2  SER  56           2HB      SER  56  -9.364 -11.442  15.045
  383    HB3  SER  56           1HB      SER  56  -7.744 -11.804  14.456
  384    HG   SER  56           HG       SER  56  -8.421 -11.209  16.894
  385    H    GLY  57           H        GLY  57  -8.023  -8.493  16.300
  386    HA2  GLY  57           2HA      GLY  57  -9.041  -6.552  17.165
  387    HA3  GLY  57           1HA      GLY  57 -10.300  -6.691  15.940
  388    H    SER  58           H        SER  58  -9.036  -8.702  18.623
  389    HA   SER  58           HA       SER  58 -11.696  -9.710  19.204
  390    HB2  SER  58           2HB      SER  58  -9.030 -10.159  20.563
  391    HB3  SER  58           1HB      SER  58 -10.527 -10.974  21.002
  392    HG   SER  58           HG       SER  58  -9.860 -12.334  19.523
  393    H    ASN  59           H        ASN  59  -9.198  -8.072  21.182
  394    HA   ASN  59           HA       ASN  59 -11.160  -7.272  23.149
  395    HB2  ASN  59           2HB      ASN  59  -8.206  -6.717  22.838
  396    HB3  ASN  59           1HB      ASN  59  -9.175  -6.088  24.171
  397   HD21  ASN  59          1HD2      ASN  59 -10.273  -7.760  25.577
  398   HD22  ASN  59          2HD2      ASN  59  -9.555  -9.290  25.735
  399    H    SER  60           H        SER  60 -12.493  -5.617  22.791
  400    HA   SER  60           HA       SER  60 -11.887  -3.538  20.879
  401    HB2  SER  60           2HB      SER  60 -14.206  -4.593  21.533
  402    HB3  SER  60           1HB      SER  60 -14.176  -3.384  22.811
  403    HG   SER  60           HG       SER  60 -15.120  -2.445  21.044
  404    HA   PRO  61           HA       PRO  61 -10.143  -0.735  23.867
  405    HB2  PRO  61           2HB      PRO  61 -10.324   1.622  22.544
  406    HB3  PRO  61           1HB      PRO  61  -9.219   0.331  22.032
  407    HG2  PRO  61           2HG      PRO  61 -11.843   1.134  20.900
  408    HG3  PRO  61           1HG      PRO  61 -10.381   0.566  20.077
  409    HD2  PRO  61           2HD      PRO  61 -12.607  -1.016  20.631
  410    HD3  PRO  61           1HD      PRO  61 -10.979  -1.636  20.286
  411    H    THR  62           H        THR  62 -10.676   0.932  25.381
  412    HA   THR  62           HA       THR  62 -13.556   1.220  25.829
  413    HB   THR  62           HB       THR  62 -12.737   2.220  28.032
  414    HG1  THR  62           1HG      THR  62 -10.685   2.709  27.822
  415   HG21  THR  62          3HG2      THR  62 -11.876  -0.120  28.786
  416   HG22  THR  62          1HG2      THR  62 -12.221  -0.603  27.125
  417   HG23  THR  62          2HG2      THR  62 -13.518   0.009  28.153
  Start of MODEL   11
    1    H1   GLY   1           1HT      GLY   1 -31.416   3.642   0.015
    2    H2   GLY   1           2HT      GLY   1 -31.195   4.040   1.652
    3    H3   GLY   1           3HT      GLY   1 -32.621   4.492   0.850
    4    HA2  GLY   1           2HA      GLY   1 -31.796   1.674   1.257
    5    HA3  GLY   1           1HA      GLY   1 -32.876   2.541   2.349
    6    H    SER   2           H        SER   2 -32.892   0.410  -0.112
    7    HA   SER   2           HA       SER   2 -35.142   1.487  -1.622
    8    HB2  SER   2           2HB      SER   2 -33.913  -1.269  -1.802
    9    HB3  SER   2           1HB      SER   2 -34.923  -0.465  -3.001
   10    HG   SER   2           HG       SER   2 -32.554  -0.403  -3.313
   11    H    MET   3           H        MET   3 -34.520  -1.487   0.271
   12    HA   MET   3           HA       MET   3 -37.416  -1.766   0.725
   13    HB2  MET   3           2HB      MET   3 -36.819  -4.037   1.567
   14    HB3  MET   3           1HB      MET   3 -36.327  -3.772  -0.105
   15    HG2  MET   3           2HG      MET   3 -34.038  -3.458   0.521
   16    HG3  MET   3           1HG      MET   3 -34.450  -3.338   2.231
   17    HE1  MET   3           3HE      MET   3 -32.859  -5.796  -0.259
   18    HE2  MET   3           1HE      MET   3 -34.411  -5.244  -0.902
   19    HE3  MET   3           2HE      MET   3 -34.175  -6.943  -0.498
   20    H    ALA   4           H        ALA   4 -38.168  -2.330   2.898
   21    HA   ALA   4           HA       ALA   4 -36.681  -0.823   4.951
   22    HB1  ALA   4           1HB      ALA   4 -39.558  -1.750   5.049
   23    HB2  ALA   4           2HB      ALA   4 -39.060  -0.196   4.381
   24    HB3  ALA   4           3HB      ALA   4 -38.777  -0.553   6.084
   25    H    GLN   5           H        GLN   5 -35.833  -3.468   4.230
   26    HA   GLN   5           HA       GLN   5 -36.592  -5.055   6.611
   27    HB2  GLN   5           2HB      GLN   5 -36.921  -6.017   4.267
   28    HB3  GLN   5           1HB      GLN   5 -35.161  -6.079   4.159
   29    HG2  GLN   5           2HG      GLN   5 -35.003  -7.583   6.006
   30    HG3  GLN   5           1HG      GLN   5 -36.683  -7.310   6.463
   31   HE21  GLN   5          1HE2      GLN   5 -34.572  -9.064   4.257
   32   HE22  GLN   5          2HE2      GLN   5 -35.800 -10.019   3.555
   33    H    GLU   6           H        GLU   6 -33.862  -3.829   4.710
   34    HA   GLU   6           HA       GLU   6 -31.859  -4.962   6.444
   35    HB2  GLU   6           2HB      GLU   6 -31.558  -4.380   3.979
   36    HB3  GLU   6           1HB      GLU   6 -31.473  -2.693   4.489
   37    HG2  GLU   6           2HG      GLU   6 -29.583  -3.217   5.970
   38    HG3  GLU   6           1HG      GLU   6 -29.677  -4.915   5.506
   39    H    THR   7           H        THR   7 -30.818  -4.030   8.143
   40    HA   THR   7           HA       THR   7 -32.014  -1.666   9.320
   41    HB   THR   7           HB       THR   7 -30.246  -2.140  11.118
   42    HG1  THR   7           1HG      THR   7 -28.799  -3.490  10.441
   43   HG21  THR   7          3HG2      THR   7 -32.307  -4.226  10.355
   44   HG22  THR   7          1HG2      THR   7 -32.558  -2.825  11.397
   45   HG23  THR   7          2HG2      THR   7 -31.511  -4.143  11.927
   46    H    ASN   8           H        ASN   8 -30.335  -0.119  10.427
   47    HA   ASN   8           HA       ASN   8 -28.909   1.193   8.294
   48    HB2  ASN   8           2HB      ASN   8 -30.153   2.318  10.226
   49    HB3  ASN   8           1HB      ASN   8 -28.771   1.881  11.228
   50   HD21  ASN   8          1HD2      ASN   8 -26.635   2.828  10.614
   51   HD22  ASN   8          2HD2      ASN   8 -26.586   4.268   9.701
   52    H    GLN   9           H        GLN   9 -27.949  -0.249  11.419
   53    HA   GLN   9           HA       GLN   9 -25.135  -0.103  10.730
   54    HB2  GLN   9           2HB      GLN   9 -26.669  -1.153  13.105
   55    HB3  GLN   9           1HB      GLN   9 -24.927  -1.376  12.942
   56    HG2  GLN   9           2HG      GLN   9 -26.258   1.332  12.728
   57    HG3  GLN   9           1HG      GLN   9 -25.643   0.688  14.249
   58   HE21  GLN   9          1HE2      GLN   9 -23.231  -0.131  14.050
   59   HE22  GLN   9          2HE2      GLN   9 -22.187   0.875  13.150
   60    H    THR  10           H        THR  10 -24.474  -1.480   9.185
   61    HA   THR  10           HA       THR  10 -24.660  -4.332   9.686
   62    HB   THR  10           HB       THR  10 -25.639  -3.296   7.027
   63    HG1  THR  10           1HG      THR  10 -27.599  -3.196   7.805
   64   HG21  THR  10          3HG2      THR  10 -25.635  -5.959   8.452
   65   HG22  THR  10          1HG2      THR  10 -24.918  -5.556   6.891
   66   HG23  THR  10          2HG2      THR  10 -26.672  -5.640   7.060
   67    HA   PRO  11           HA       PRO  11 -20.630  -3.732   7.804
   68    HB2  PRO  11           2HB      PRO  11 -19.839  -6.336   7.551
   69    HB3  PRO  11           1HB      PRO  11 -19.854  -5.475   9.101
   70    HG2  PRO  11           2HG      PRO  11 -21.790  -7.446   8.014
   71    HG3  PRO  11           1HG      PRO  11 -21.212  -7.221   9.674
   72    HD2  PRO  11           2HD      PRO  11 -23.654  -6.316   8.763
   73    HD3  PRO  11           1HD      PRO  11 -22.784  -5.606  10.139
   74    H    GLY  12           H        GLY  12 -20.288  -3.192   5.721
   75    HA2  GLY  12           2HA      GLY  12 -20.231  -4.852   3.523
   76    HA3  GLY  12           1HA      GLY  12 -21.884  -4.242   3.585
   77    HA   PRO  13           HA       PRO  13 -20.605  -0.370   1.846
   78    HB2  PRO  13           2HB      PRO  13 -21.346   1.652   3.539
   79    HB3  PRO  13           1HB      PRO  13 -22.499   0.712   2.568
   80    HG2  PRO  13           2HG      PRO  13 -21.837   0.501   5.453
   81    HG3  PRO  13           1HG      PRO  13 -23.387   0.279   4.622
   82    HD2  PRO  13           2HD      PRO  13 -21.783  -1.796   5.493
   83    HD3  PRO  13           1HD      PRO  13 -22.981  -1.938   4.187
   84    H    MET  14           H        MET  14 -18.341  -1.325   2.479
   85    HA   MET  14           HA       MET  14 -16.834   0.001   4.518
   86    HB2  MET  14           2HB      MET  14 -16.280  -1.969   2.352
   87    HB3  MET  14           1HB      MET  14 -14.905  -1.044   2.952
   88    HG2  MET  14           2HG      MET  14 -15.746  -1.690   5.311
   89    HG3  MET  14           1HG      MET  14 -16.730  -2.898   4.486
   90    HE1  MET  14           3HE      MET  14 -13.856  -5.000   5.997
   91    HE2  MET  14           1HE      MET  14 -15.588  -4.980   5.639
   92    HE3  MET  14           2HE      MET  14 -14.874  -3.708   6.629
   93    H    LEU  15           H        LEU  15 -17.233   2.235   4.062
   94    HA   LEU  15           HA       LEU  15 -16.367   3.418   1.592
   95    HB2  LEU  15           2HB      LEU  15 -17.418   4.447   4.196
   96    HB3  LEU  15           1HB      LEU  15 -16.536   5.566   3.157
   97    HG   LEU  15           HG       LEU  15 -18.814   3.848   2.143
   98   HD11  LEU  15          1HD1      LEU  15 -19.024   6.775   2.807
   99   HD12  LEU  15          2HD1      LEU  15 -19.355   5.547   4.030
  100   HD13  LEU  15          3HD1      LEU  15 -20.319   5.605   2.554
  101   HD21  LEU  15          3HD2      LEU  15 -18.822   5.654   0.372
  102   HD22  LEU  15          1HD2      LEU  15 -17.353   4.680   0.390
  103   HD23  LEU  15          2HD2      LEU  15 -17.350   6.294   1.101
  104    H    CYS  16           H        CYS  16 -14.576   4.738   1.221
  105    HA   CYS  16           HA       CYS  16 -12.103   3.841   1.942
  106    HB2  CYS  16           2HB      CYS  16 -12.697   5.536   0.148
  107    HB3  CYS  16           1HB      CYS  16 -12.600   6.766   1.410
  108    H    SER  17           H        SER  17 -10.714   3.973   3.530
  109    HA   SER  17           HA       SER  17 -11.402   4.851   6.117
  110    HB2  SER  17           2HB      SER  17  -8.561   4.494   5.191
  111    HB3  SER  17           1HB      SER  17  -9.250   4.170   6.784
  112    HG   SER  17           HG       SER  17  -9.331   2.205   5.964
  113    H    THR  18           H        THR  18  -9.778   6.524   3.487
  114    HA   THR  18           HA       THR  18  -8.766   8.656   5.138
  115    HB   THR  18           HB       THR  18  -8.142   9.710   3.010
  116    HG1  THR  18           1HG      THR  18  -9.608   9.260   1.550
  117   HG21  THR  18          3HG2      THR  18  -7.218   7.203   3.979
  118   HG22  THR  18          1HG2      THR  18  -6.353   8.341   2.946
  119   HG23  THR  18          2HG2      THR  18  -7.316   7.054   2.225
  120    H    GLY  19           H        GLY  19 -11.887   7.965   3.946
  121    HA2  GLY  19           2HA      GLY  19 -13.841   9.171   4.081
  122    HA3  GLY  19           1HA      GLY  19 -12.929  10.466   4.857
  123    H    CYS  20           H        CYS  20 -12.139   9.111   1.694
  124    HA   CYS  20           HA       CYS  20 -12.146  11.706   0.503
  125    HB2  CYS  20           2HB      CYS  20 -11.476  10.576  -1.553
  126    HB3  CYS  20           1HB      CYS  20 -10.556   9.950  -0.184
  127    H    GLY  21           H        GLY  21 -14.626   9.328   0.921
  128    HA2  GLY  21           2HA      GLY  21 -16.914   9.909   0.580
  129    HA3  GLY  21           1HA      GLY  21 -16.424  10.971  -0.733
  130    H    PHE  22           H        PHE  22 -14.771   8.044  -1.092
  131    HA   PHE  22           HA       PHE  22 -16.821   7.030  -2.962
  132    HB2  PHE  22           2HB      PHE  22 -13.804   7.023  -3.145
  133    HB3  PHE  22           1HB      PHE  22 -14.834   6.019  -4.174
  134    HD1  PHE  22           2HD      PHE  22 -16.563   7.113  -5.645
  135    HD2  PHE  22           1HD      PHE  22 -13.562   9.356  -3.546
  136    HE1  PHE  22           2HE      PHE  22 -16.982   9.058  -7.125
  137    HE2  PHE  22           1HE      PHE  22 -13.978  11.301  -5.025
  138    HZ   PHE  22           HZ       PHE  22 -15.690  11.151  -6.811
  139    H    TYR  23           H        TYR  23 -16.691   4.690  -3.391
  140    HA   TYR  23           HA       TYR  23 -16.802   3.214  -0.963
  141    HB2  TYR  23           2HB      TYR  23 -18.182   2.784  -3.032
  142    HB3  TYR  23           1HB      TYR  23 -16.734   2.081  -3.761
  143    HD1  TYR  23           2HD      TYR  23 -18.501   1.890  -0.433
  144    HD2  TYR  23           1HD      TYR  23 -16.605  -0.217  -3.661
  145    HE1  TYR  23           2HE      TYR  23 -18.940  -0.266   0.709
  146    HE2  TYR  23           1HE      TYR  23 -17.042  -2.370  -2.514
  147    HH   TYR  23           HH       TYR  23 -19.116  -2.983  -0.493
  148    H    GLY  24           H        GLY  24 -15.518   1.566  -0.192
  149    HA2  GLY  24           2HA      GLY  24 -12.737   1.495  -1.228
  150    HA3  GLY  24           1HA      GLY  24 -13.190   1.213   0.457
  151    H    ASN  25           H        ASN  25 -11.626  -0.650  -0.832
  152    HA   ASN  25           HA       ASN  25 -13.501  -2.886  -1.373
  153    HB2  ASN  25           2HB      ASN  25 -11.713  -2.073  -3.150
  154    HB3  ASN  25           1HB      ASN  25 -10.610  -3.030  -2.158
  155   HD21  ASN  25          1HD2      ASN  25 -13.469  -3.217  -4.256
  156   HD22  ASN  25          2HD2      ASN  25 -13.437  -4.914  -4.432
  157    HA   PRO  26           HA       PRO  26 -11.796  -4.509   2.433
  158    HB2  PRO  26           2HB      PRO  26 -12.823  -7.013   2.396
  159    HB3  PRO  26           1HB      PRO  26 -13.807  -5.570   2.703
  160    HG2  PRO  26           2HG      PRO  26 -13.507  -7.153   0.197
  161    HG3  PRO  26           1HG      PRO  26 -14.968  -6.450   0.922
  162    HD2  PRO  26           2HD      PRO  26 -13.600  -5.279  -1.156
  163    HD3  PRO  26           1HD      PRO  26 -14.580  -4.368   0.013
  164    H    ARG  27           H        ARG  27 -11.208  -6.036  -0.673
  165    HA   ARG  27           HA       ARG  27  -9.226  -7.895   0.284
  166    HB2  ARG  27           2HB      ARG  27  -9.907  -6.879  -2.483
  167    HB3  ARG  27           1HB      ARG  27  -8.695  -8.120  -2.157
  168    HG2  ARG  27           2HG      ARG  27 -10.417  -9.521  -1.080
  169    HG3  ARG  27           1HG      ARG  27 -11.630  -8.281  -1.412
  170    HD2  ARG  27           2HD      ARG  27 -11.147  -8.499  -3.840
  171    HD3  ARG  27           1HD      ARG  27 -10.009  -9.792  -3.477
  172    HE   ARG  27           HE       ARG  27 -12.507 -10.433  -2.328
  173   HH11  ARG  27          1HH2      ARG  27 -11.005 -10.142  -5.498
  174   HH12  ARG  27          2HH2      ARG  27 -12.091 -11.270  -6.228
  175   HH21  ARG  27          1HH1      ARG  27 -13.876 -11.902  -3.333
  176   HH22  ARG  27          2HH1      ARG  27 -13.699 -12.258  -5.018
  177    H    THR  28           H        THR  28  -9.307  -4.640  -1.078
  178    HA   THR  28           HA       THR  28  -6.450  -4.339  -1.297
  179    HB   THR  28           HB       THR  28  -6.982  -1.950  -1.645
  180    HG1  THR  28           1HG      THR  28  -8.577  -1.402  -0.367
  181   HG21  THR  28          3HG2      THR  28  -8.482  -4.084  -3.074
  182   HG22  THR  28          1HG2      THR  28  -7.347  -2.887  -3.701
  183   HG23  THR  28          2HG2      THR  28  -9.014  -2.428  -3.354
  184    H    ASN  29           H        ASN  29  -6.265  -1.755   0.198
  185    HA   ASN  29           HA       ASN  29  -5.919  -2.887   2.860
  186    HB2  ASN  29           2HB      ASN  29  -4.839  -0.551   1.365
  187    HB3  ASN  29           1HB      ASN  29  -4.968  -0.374   3.115
  188   HD21  ASN  29          1HD2      ASN  29  -4.109  -3.218   1.055
  189   HD22  ASN  29          2HD2      ASN  29  -2.617  -3.503   1.827
  190    H    GLY  30           H        GLY  30  -8.684  -2.313   1.856
  191    HA2  GLY  30           2HA      GLY  30 -10.614  -1.659   2.901
  192    HA3  GLY  30           1HA      GLY  30  -9.641  -0.925   4.174
  193    H    MET  31           H        MET  31  -8.800   0.081   0.967
  194    HA   MET  31           HA       MET  31 -10.446   2.520   1.245
  195    HB2  MET  31           2HB      MET  31  -7.521   2.422   0.460
  196    HB3  MET  31           1HB      MET  31  -8.527   3.872   0.578
  197    HG2  MET  31           2HG      MET  31  -8.978   3.080   3.018
  198    HG3  MET  31           1HG      MET  31  -7.560   2.065   2.788
  199    HE1  MET  31           3HE      MET  31  -6.216   3.718   4.973
  200    HE2  MET  31           1HE      MET  31  -4.873   3.979   3.852
  201    HE3  MET  31           2HE      MET  31  -5.841   2.512   3.748
  202    H    CYS  32           H        CYS  32 -10.158   3.877  -0.868
  203    HA   CYS  32           HA       CYS  32 -11.146   2.230  -2.985
  204    HB2  CYS  32           2HB      CYS  32 -11.680   4.290  -4.107
  205    HB3  CYS  32           1HB      CYS  32 -12.075   4.488  -2.412
  206    H    SER  33           H        SER  33 -10.222   3.447  -5.265
  207    HA   SER  33           HA       SER  33  -7.759   2.054  -5.645
  208    HB2  SER  33           2HB      SER  33  -8.033   3.498  -7.943
  209    HB3  SER  33           1HB      SER  33  -8.841   1.972  -7.613
  210    HG   SER  33           HG       SER  33 -10.018   4.148  -8.198
  211    H    VAL  34           H        VAL  34  -8.550   5.543  -5.733
  212    HA   VAL  34           HA       VAL  34  -5.933   6.402  -6.350
  213    HB   VAL  34           HB       VAL  34  -7.931   8.087  -4.839
  214   HG11  VAL  34          1HG1      VAL  34  -6.870   9.804  -6.444
  215   HG12  VAL  34          2HG1      VAL  34  -5.636   8.577  -6.736
  216   HG13  VAL  34          3HG1      VAL  34  -5.871   9.221  -5.111
  217   HG21  VAL  34          3HG2      VAL  34  -7.870   7.356  -7.783
  218   HG22  VAL  34          1HG2      VAL  34  -8.710   8.777  -7.164
  219   HG23  VAL  34          2HG2      VAL  34  -9.218   7.169  -6.660
  220    H    CYS  35           H        CYS  35  -7.617   6.595  -3.193
  221    HA   CYS  35           HA       CYS  35  -5.466   7.564  -1.706
  222    HB2  CYS  35           2HB      CYS  35  -7.715   5.772  -0.756
  223    HB3  CYS  35           1HB      CYS  35  -6.670   6.749   0.277
  224    H    TYR  36           H        TYR  36  -6.313   4.245  -2.572
  225    HA   TYR  36           HA       TYR  36  -4.629   2.851  -0.830
  226    HB2  TYR  36           2HB      TYR  36  -6.320   1.702  -2.141
  227    HB3  TYR  36           1HB      TYR  36  -5.494   2.133  -3.640
  228    HD1  TYR  36           2HD      TYR  36  -4.506   0.618  -0.326
  229    HD2  TYR  36           1HD      TYR  36  -4.341   0.372  -4.614
  230    HE1  TYR  36           2HE      TYR  36  -3.110  -1.422  -0.157
  231    HE2  TYR  36           1HE      TYR  36  -2.940  -1.665  -4.443
  232    HH   TYR  36           HH       TYR  36  -1.262  -2.534  -1.963
  233    H    LYS  37           H        LYS  37  -3.909   4.274  -3.998
  234    HA   LYS  37           HA       LYS  37  -1.224   3.270  -4.068
  235    HB2  LYS  37           2HB      LYS  37  -2.795   4.105  -6.022
  236    HB3  LYS  37           1HB      LYS  37  -2.084   5.673  -5.644
  237    HG2  LYS  37           2HG      LYS  37   0.146   4.835  -6.039
  238    HG3  LYS  37           1HG      LYS  37  -0.447   3.179  -6.167
  239    HD2  LYS  37           2HD      LYS  37  -0.240   3.778  -8.420
  240    HD3  LYS  37           1HD      LYS  37  -1.935   4.135  -8.107
  241    HE2  LYS  37           2HE      LYS  37  -0.428   6.463  -7.394
  242    HE3  LYS  37           1HE      LYS  37   0.132   5.927  -8.976
  243    HZ1  LYS  37           3HZ      LYS  37  -2.707   6.350  -8.225
  244    HZ2  LYS  37           1HZ      LYS  37  -2.136   5.898  -9.756
  245    HZ3  LYS  37           2HZ      LYS  37  -1.763   7.433  -9.129
  246    H    GLU  38           H        GLU  38  -2.751   6.390  -3.314
  247    HA   GLU  38           HA       GLU  38  -0.468   7.912  -2.862
  248    HB2  GLU  38           2HB      GLU  38  -3.262   8.061  -1.777
  249    HB3  GLU  38           1HB      GLU  38  -2.024   9.186  -1.222
  250    HG2  GLU  38           2HG      GLU  38  -2.552   8.719  -4.159
  251    HG3  GLU  38           1HG      GLU  38  -3.435   9.936  -3.233
  252    H    HIS  39           H        HIS  39  -2.160   5.747  -0.544
  253    HA   HIS  39           HA       HIS  39  -0.300   6.567   1.543
  254    HB2  HIS  39           2HB      HIS  39  -1.564   5.339   3.092
  255    HB3  HIS  39           1HB      HIS  39  -2.729   6.076   2.002
  256    HD1  HIS  39           1HD      HIS  39  -4.576   4.513   1.561
  257    HD2  HIS  39           2HD      HIS  39  -0.984   2.465   1.934
  258    HE1  HIS  39           1HE      HIS  39  -5.142   2.047   1.440
  259    HE2  HIS  39           2HE      HIS  39  -2.950   0.788   1.628
  260    H    LEU  40           H        LEU  40  -0.685   3.844  -0.621
  261    HA   LEU  40           HA       LEU  40   1.115   2.045   0.620
  262    HB2  LEU  40           2HB      LEU  40  -0.483   1.493  -1.233
  263    HB3  LEU  40           1HB      LEU  40   0.597   2.331  -2.348
  264    HG   LEU  40           HG       LEU  40   2.441   0.758  -1.444
  265   HD11  LEU  40          1HD1      LEU  40  -0.043  -0.747  -0.562
  266   HD12  LEU  40          2HD1      LEU  40   1.164  -0.045   0.512
  267   HD13  LEU  40          3HD1      LEU  40   1.601  -1.386  -0.547
  268   HD21  LEU  40          3HD2      LEU  40   1.041   0.659  -3.663
  269   HD22  LEU  40          1HD2      LEU  40   0.261  -0.725  -2.898
  270   HD23  LEU  40          2HD2      LEU  40   2.001  -0.745  -3.193
  271    H    GLN  41           H        GLN  41   1.662   4.844  -1.434
  272    HA   GLN  41           HA       GLN  41   4.350   4.310  -2.187
  273    HB2  GLN  41           2HB      GLN  41   2.713   6.092  -3.103
  274    HB3  GLN  41           1HB      GLN  41   3.278   7.088  -1.763
  275    HG2  GLN  41           2HG      GLN  41   5.628   6.721  -2.533
  276    HG3  GLN  41           1HG      GLN  41   4.998   5.836  -3.926
  277   HE21  GLN  41          1HE2      GLN  41   2.838   7.399  -4.734
  278   HE22  GLN  41          2HE2      GLN  41   3.380   8.960  -5.162
  279    H    ARG  42           H        ARG  42   2.927   5.961   0.598
  280    HA   ARG  42           HA       ARG  42   5.453   6.802   1.687
  281    HB2  ARG  42           2HB      ARG  42   2.696   6.640   2.927
  282    HB3  ARG  42           1HB      ARG  42   4.095   7.420   3.668
  283    HG2  ARG  42           2HG      ARG  42   4.253   8.795   1.490
  284    HG3  ARG  42           1HG      ARG  42   2.618   8.218   1.158
  285    HD2  ARG  42           2HD      ARG  42   3.431   9.643   3.708
  286    HD3  ARG  42           1HD      ARG  42   2.676  10.437   2.329
  287    HE   ARG  42           HE       ARG  42   1.114   8.203   3.156
  288   HH11  ARG  42          1HH2      ARG  42   1.924  11.485   4.145
  289   HH12  ARG  42          2HH2      ARG  42   0.423  11.714   4.973
  290   HH21  ARG  42          1HH1      ARG  42  -0.821   8.575   4.251
  291   HH22  ARG  42          2HH1      ARG  42  -1.106  10.096   5.029
  292    H    GLN  43           H        GLN  43   3.375   3.992   2.038
  293    HA   GLN  43           HA       GLN  43   4.672   3.003   4.412
  294    HB2  GLN  43           2HB      GLN  43   2.354   2.353   2.847
  295    HB3  GLN  43           1HB      GLN  43   3.323   0.893   3.007
  296    HG2  GLN  43           2HG      GLN  43   1.941   0.871   4.920
  297    HG3  GLN  43           1HG      GLN  43   3.473   1.508   5.519
  298   HE21  GLN  43          1HE2      GLN  43   3.347   3.474   6.622
  299   HE22  GLN  43          2HE2      GLN  43   2.033   4.539   6.544
  300    H    GLN  44           H        GLN  44   4.947   2.412   0.930
  301    HA   GLN  44           HA       GLN  44   6.822   0.249   1.207
  302    HB2  GLN  44           2HB      GLN  44   5.918   1.944  -1.117
  303    HB3  GLN  44           1HB      GLN  44   7.170   0.713  -1.282
  304    HG2  GLN  44           2HG      GLN  44   4.543   0.031   0.015
  305    HG3  GLN  44           1HG      GLN  44   4.685   0.049  -1.740
  306   HE21  GLN  44          1HE2      GLN  44   5.754  -1.613   1.202
  307   HE22  GLN  44          2HE2      GLN  44   6.457  -2.943   0.396
  308    H    ASN  45           H        ASN  45   7.031   3.742   0.851
  309    HA   ASN  45           HA       ASN  45   9.688   4.063   0.055
  310    HB2  ASN  45           2HB      ASN  45   7.921   5.856   0.333
  311    HB3  ASN  45           1HB      ASN  45   8.270   5.822   2.060
  312   HD21  ASN  45          1HD2      ASN  45  10.113   6.071  -1.053
  313   HD22  ASN  45          2HD2      ASN  45  11.215   7.228  -0.456
  314    H    SER  46           H        SER  46   8.395   3.184   3.201
  315    HA   SER  46           HA       SER  46  10.608   3.791   4.834
  316    HB2  SER  46           2HB      SER  46   8.418   1.737   5.049
  317    HB3  SER  46           1HB      SER  46   9.682   1.869   6.267
  318    HG   SER  46           HG       SER  46   7.705   3.728   5.507
  319    H    GLY  47           H        GLY  47   9.696   0.539   3.643
  320    HA2  GLY  47           2HA      GLY  47  10.981  -1.249   2.972
  321    HA3  GLY  47           1HA      GLY  47  12.305  -0.117   2.719
  322    H    ARG  48           H        ARG  48  10.480  -1.492   5.473
  323    HA   ARG  48           HA       ARG  48  12.707  -1.302   7.268
  324    HB2  ARG  48           2HB      ARG  48  10.034  -2.697   7.411
  325    HB3  ARG  48           1HB      ARG  48  11.224  -2.807   8.709
  326    HG2  ARG  48           2HG      ARG  48  11.199  -0.422   9.037
  327    HG3  ARG  48           1HG      ARG  48  10.225  -0.177   7.588
  328    HD2  ARG  48           2HD      ARG  48   8.490  -1.712   8.758
  329    HD3  ARG  48           1HD      ARG  48   9.401  -1.374  10.226
  330    HE   ARG  48           HE       ARG  48   8.739   1.033   8.812
  331   HH11  ARG  48          1HH2      ARG  48   7.398  -1.382  10.992
  332   HH12  ARG  48          2HH2      ARG  48   6.230  -0.289  11.645
  333   HH21  ARG  48          1HH1      ARG  48   7.198   2.399   9.696
  334   HH22  ARG  48          2HH1      ARG  48   6.116   1.827  10.922
  335    H    MET  49           H        MET  49  13.864  -3.065   8.235
  336    HA   MET  49           HA       MET  49  14.153  -5.389   6.422
  337    HB2  MET  49           2HB      MET  49  16.129  -3.861   8.100
  338    HB3  MET  49           1HB      MET  49  16.468  -5.509   7.569
  339    HG2  MET  49           2HG      MET  49  15.970  -4.776   5.213
  340    HG3  MET  49           1HG      MET  49  15.853  -3.119   5.808
  341    HE1  MET  49           3HE      MET  49  17.992  -5.618   4.189
  342    HE2  MET  49           1HE      MET  49  19.356  -4.521   3.922
  343    HE3  MET  49           2HE      MET  49  17.719  -4.012   3.516
  344    H    SER  50           H        SER  50  12.744  -6.828   7.339
  345    HA   SER  50           HA       SER  50  13.600  -8.135   9.765
  346    HB2  SER  50           2HB      SER  50  11.996  -6.077  10.305
  347    HB3  SER  50           1HB      SER  50  10.749  -7.238   9.866
  348    HG   SER  50           HG       SER  50  11.446  -7.193  12.137
  349    HA   PRO  51           HA       PRO  51  11.874 -11.686   7.738
  350    HB2  PRO  51           2HB      PRO  51  10.453 -12.466  10.236
  351    HB3  PRO  51           1HB      PRO  51  11.644 -13.371   9.285
  352    HG2  PRO  51           2HG      PRO  51  12.263 -12.278  11.632
  353    HG3  PRO  51           1HG      PRO  51  13.427 -12.347  10.296
  354    HD2  PRO  51           2HD      PRO  51  11.853 -10.010  11.307
  355    HD3  PRO  51           1HD      PRO  51  13.503 -10.058  10.645
  356    H    MET  52           H        MET  52   9.565 -13.029   7.800
  357    HA   MET  52           HA       MET  52   7.480 -10.965   7.367
  358    HB2  MET  52           2HB      MET  52   6.456 -12.599   5.793
  359    HB3  MET  52           1HB      MET  52   8.065 -12.089   5.295
  360    HG2  MET  52           2HG      MET  52   9.047 -14.146   6.056
  361    HG3  MET  52           1HG      MET  52   7.561 -14.619   6.881
  362    HE1  MET  52           3HE      MET  52   8.930 -13.332   3.574
  363    HE2  MET  52           1HE      MET  52   8.473 -14.574   2.399
  364    HE3  MET  52           2HE      MET  52   9.630 -14.947   3.674
  365    H    GLY  53           H        GLY  53   5.340 -11.405   8.027
  366    HA2  GLY  53           2HA      GLY  53   3.646 -12.401   9.262
  367    HA3  GLY  53           1HA      GLY  53   4.686 -13.801   9.498
  368    H    THR  54           H        THR  54   5.516 -10.453  10.287
  369    HA   THR  54           HA       THR  54   5.860 -11.255  13.106
  370    HB   THR  54           HB       THR  54   6.846  -8.693  11.863
  371    HG1  THR  54           1HG      THR  54   7.696 -10.317  10.610
  372   HG21  THR  54          3HG2      THR  54   6.871  -8.937  14.333
  373   HG22  THR  54          1HG2      THR  54   8.499  -8.847  13.666
  374   HG23  THR  54          2HG2      THR  54   7.835 -10.403  14.164
  375    H    ALA  55           H        ALA  55   4.610 -10.438  14.683
  376    HA   ALA  55           HA       ALA  55   2.380  -8.734  13.975
  377    HB1  ALA  55           1HB      ALA  55   1.902 -10.507  15.504
  378    HB2  ALA  55           2HB      ALA  55   1.823  -9.010  16.434
  379    HB3  ALA  55           3HB      ALA  55   3.243 -10.049  16.555
  380    H    SER  56           H        SER  56   3.367  -6.759  13.419
  381    HA   SER  56           HA       SER  56   3.962  -5.057  15.705
  382    HB2  SER  56           2HB      SER  56   6.156  -6.103  14.865
  383    HB3  SER  56           1HB      SER  56   5.933  -5.116  13.425
  384    HG   SER  56           HG       SER  56   7.128  -3.939  14.891
  385    H    GLY  57           H        GLY  57   4.621  -2.752  14.638
  386    HA2  GLY  57           2HA      GLY  57   4.123  -1.095  13.035
  387    HA3  GLY  57           1HA      GLY  57   3.036  -2.226  12.233
  388    H    SER  58           H        SER  58   3.402  -0.153  15.084
  389    HA   SER  58           HA       SER  58   0.515   0.358  15.043
  390    HB2  SER  58           2HB      SER  58   1.088  -1.528  16.686
  391    HB3  SER  58           1HB      SER  58   1.899  -0.292  17.643
  392    HG   SER  58           HG       SER  58  -0.040   0.051  18.388
  393    H    ASN  59           H        ASN  59   2.850   1.935  14.283
  394    HA   ASN  59           HA       ASN  59   2.980   3.987  16.395
  395    HB2  ASN  59           2HB      ASN  59   5.063   3.033  15.218
  396    HB3  ASN  59           1HB      ASN  59   4.552   3.990  13.828
  397   HD21  ASN  59          1HD2      ASN  59   5.869   4.174  17.092
  398   HD22  ASN  59          2HD2      ASN  59   6.169   5.845  17.070
  399    H    SER  60           H        SER  60   2.415   6.132  16.011
  400    HA   SER  60           HA       SER  60   1.266   6.870  13.429
  401    HB2  SER  60           2HB      SER  60  -0.868   7.541  14.356
  402    HB3  SER  60           1HB      SER  60  -0.598   5.844  14.743
  403    HG   SER  60           HG       SER  60  -0.470   8.119  16.391
  404    HA   PRO  61           HA       PRO  61   3.008  10.760  14.675
  405    HB2  PRO  61           2HB      PRO  61   1.681  12.513  13.083
  406    HB3  PRO  61           1HB      PRO  61   2.863  11.354  12.444
  407    HG2  PRO  61           2HG      PRO  61  -0.106  11.248  12.399
  408    HG3  PRO  61           1HG      PRO  61   1.062  10.755  11.163
  409    HD2  PRO  61           2HD      PRO  61  -0.217   9.000  12.883
  410    HD3  PRO  61           1HD      PRO  61   1.326   8.661  12.070
  411    H    THR  62           H        THR  62   2.694  12.385  16.170
  412    HA   THR  62           HA       THR  62  -0.033  13.183  16.896
  413    HB   THR  62           HB       THR  62   0.421  12.769  19.297
  414    HG1  THR  62           1HG      THR  62   2.703  11.437  18.268
  415   HG21  THR  62          3HG2      THR  62  -0.692  11.084  17.708
  416   HG22  THR  62          1HG2      THR  62  -0.073  10.451  19.234
  417   HG23  THR  62          2HG2      THR  62   0.843  10.216  17.745
  Start of MODEL   12
    1    H1   GLY   1           1HT      GLY   1 -36.765 -19.213  14.509
    2    H2   GLY   1           2HT      GLY   1 -36.291 -19.820  12.995
    3    H3   GLY   1           3HT      GLY   1 -37.757 -18.975  13.155
    4    HA2  GLY   1           2HA      GLY   1 -35.060 -17.807  13.582
    5    HA3  GLY   1           1HA      GLY   1 -36.032 -17.602  12.125
    6    H    SER   2           H        SER   2 -35.084 -15.671  14.258
    7    HA   SER   2           HA       SER   2 -37.626 -14.726  15.378
    8    HB2  SER   2           2HB      SER   2 -36.034 -12.989  16.430
    9    HB3  SER   2           1HB      SER   2 -35.922 -14.653  16.996
   10    HG   SER   2           HG       SER   2 -33.877 -14.244  16.510
   11    H    MET   3           H        MET   3 -34.917 -13.490  13.402
   12    HA   MET   3           HA       MET   3 -36.805 -11.804  11.928
   13    HB2  MET   3           2HB      MET   3 -35.192  -9.854  12.112
   14    HB3  MET   3           1HB      MET   3 -36.114 -10.216  13.566
   15    HG2  MET   3           2HG      MET   3 -33.470 -11.584  13.283
   16    HG3  MET   3           1HG      MET   3 -33.431  -9.849  13.585
   17    HE1  MET   3           3HE      MET   3 -32.616  -9.421  15.611
   18    HE2  MET   3           1HE      MET   3 -32.019 -11.060  15.911
   19    HE3  MET   3           2HE      MET   3 -32.926 -10.207  17.157
   20    H    ALA   4           H        ALA   4 -36.413 -13.217  10.186
   21    HA   ALA   4           HA       ALA   4 -33.682 -13.398   9.141
   22    HB1  ALA   4           1HB      ALA   4 -34.700 -14.947   7.484
   23    HB2  ALA   4           2HB      ALA   4 -36.273 -14.670   8.230
   24    HB3  ALA   4           3HB      ALA   4 -34.985 -15.452   9.149
   25    H    GLN   5           H        GLN   5 -36.850 -12.057   8.312
   26    HA   GLN   5           HA       GLN   5 -35.889 -10.986   5.784
   27    HB2  GLN   5           2HB      GLN   5 -38.519 -10.967   7.241
   28    HB3  GLN   5           1HB      GLN   5 -38.244  -9.892   5.871
   29    HG2  GLN   5           2HG      GLN   5 -39.191 -11.857   4.927
   30    HG3  GLN   5           1HG      GLN   5 -37.464 -11.973   4.594
   31   HE21  GLN   5          1HE2      GLN   5 -39.687 -12.864   7.310
   32   HE22  GLN   5          2HE2      GLN   5 -38.983 -14.397   7.561
   33    H    GLU   6           H        GLU   6 -37.164  -9.636   8.841
   34    HA   GLU   6           HA       GLU   6 -36.351  -6.956   8.124
   35    HB2  GLU   6           2HB      GLU   6 -37.489  -8.123  10.672
   36    HB3  GLU   6           1HB      GLU   6 -37.153  -6.408  10.432
   37    HG2  GLU   6           2HG      GLU   6 -38.887  -7.968   8.515
   38    HG3  GLU   6           1HG      GLU   6 -39.554  -7.200   9.954
   39    H    THR   7           H        THR   7 -34.127  -6.905   7.922
   40    HA   THR   7           HA       THR   7 -32.521  -7.665  10.285
   41    HB   THR   7           HB       THR   7 -30.585  -7.481   8.708
   42    HG1  THR   7           1HG      THR   7 -31.060  -6.376   6.990
   43   HG21  THR   7          3HG2      THR   7 -31.057  -9.567   7.541
   44   HG22  THR   7          1HG2      THR   7 -32.790  -9.334   7.768
   45   HG23  THR   7          2HG2      THR   7 -31.752  -9.639   9.160
   46    H    ASN   8           H        ASN   8 -31.367  -6.157  11.395
   47    HA   ASN   8           HA       ASN   8 -31.934  -3.354  10.808
   48    HB2  ASN   8           2HB      ASN   8 -30.719  -4.802  13.155
   49    HB3  ASN   8           1HB      ASN   8 -30.689  -3.043  13.027
   50   HD21  ASN   8          1HD2      ASN   8 -32.362  -2.190  14.258
   51   HD22  ASN   8          2HD2      ASN   8 -33.936  -2.840  14.353
   52    H    GLN   9           H        GLN   9 -28.974  -5.093  11.829
   53    HA   GLN   9           HA       GLN   9 -27.345  -3.132  10.389
   54    HB2  GLN   9           2HB      GLN   9 -26.688  -5.358  12.323
   55    HB3  GLN   9           1HB      GLN   9 -25.446  -4.460  11.452
   56    HG2  GLN   9           2HG      GLN   9 -26.703  -2.350  12.361
   57    HG3  GLN   9           1HG      GLN   9 -27.370  -3.477  13.542
   58   HE21  GLN   9          1HE2      GLN   9 -24.244  -2.279  12.240
   59   HE22  GLN   9          2HE2      GLN   9 -23.360  -2.596  13.664
   60    H    THR  10           H        THR  10 -25.832  -3.705   8.786
   61    HA   THR  10           HA       THR  10 -25.577  -6.375   7.796
   62    HB   THR  10           HB       THR  10 -27.775  -6.025   6.873
   63    HG1  THR  10           1HG      THR  10 -27.213  -6.617   4.917
   64   HG21  THR  10          3HG2      THR  10 -27.431  -3.413   6.971
   65   HG22  THR  10          1HG2      THR  10 -28.492  -4.114   5.750
   66   HG23  THR  10          2HG2      THR  10 -26.854  -3.627   5.318
   67    HA   PRO  11           HA       PRO  11 -22.092  -3.673   6.580
   68    HB2  PRO  11           2HB      PRO  11 -20.157  -5.606   6.596
   69    HB3  PRO  11           1HB      PRO  11 -20.701  -4.761   8.056
   70    HG2  PRO  11           2HG      PRO  11 -21.354  -7.485   7.092
   71    HG3  PRO  11           1HG      PRO  11 -21.152  -6.882   8.744
   72    HD2  PRO  11           2HD      PRO  11 -23.606  -7.345   7.528
   73    HD3  PRO  11           1HD      PRO  11 -23.354  -6.270   8.919
   74    H    GLY  12           H        GLY  12 -20.595  -3.697   4.699
   75    HA2  GLY  12           2HA      GLY  12 -20.285  -5.439   2.673
   76    HA3  GLY  12           1HA      GLY  12 -21.915  -4.835   2.373
   77    HA   PRO  13           HA       PRO  13 -20.252  -1.122   0.629
   78    HB2  PRO  13           2HB      PRO  13 -21.312   1.037   1.892
   79    HB3  PRO  13           1HB      PRO  13 -22.285  -0.058   0.889
   80    HG2  PRO  13           2HG      PRO  13 -22.060   0.104   3.849
   81    HG3  PRO  13           1HG      PRO  13 -23.476  -0.230   2.835
   82    HD2  PRO  13           2HD      PRO  13 -22.011  -2.171   4.159
   83    HD3  PRO  13           1HD      PRO  13 -23.027  -2.479   2.732
   84    H    MET  14           H        MET  14 -18.055  -1.671   1.393
   85    HA   MET  14           HA       MET  14 -16.943  -0.437   3.725
   86    HB2  MET  14           2HB      MET  14 -15.702  -1.749   1.301
   87    HB3  MET  14           1HB      MET  14 -14.743  -1.079   2.618
   88    HG2  MET  14           2HG      MET  14 -16.946  -3.097   3.081
   89    HG3  MET  14           1HG      MET  14 -15.272  -3.567   2.784
   90    HE1  MET  14           3HE      MET  14 -16.713  -4.426   5.614
   91    HE2  MET  14           1HE      MET  14 -15.137  -4.302   6.409
   92    HE3  MET  14           2HE      MET  14 -15.246  -4.851   4.738
   93    H    LEU  15           H        LEU  15 -17.301   1.790   3.664
   94    HA   LEU  15           HA       LEU  15 -16.509   3.347   1.356
   95    HB2  LEU  15           2HB      LEU  15 -17.888   3.848   3.920
   96    HB3  LEU  15           1HB      LEU  15 -16.853   5.175   3.401
   97    HG   LEU  15           HG       LEU  15 -19.143   5.470   2.548
   98   HD11  LEU  15          1HD1      LEU  15 -18.573   6.076   0.365
   99   HD12  LEU  15          2HD1      LEU  15 -17.526   4.675   0.142
  100   HD13  LEU  15          3HD1      LEU  15 -17.000   6.017   1.158
  101   HD21  LEU  15          3HD2      LEU  15 -19.445   2.867   2.415
  102   HD22  LEU  15          1HD2      LEU  15 -18.812   3.065   0.779
  103   HD23  LEU  15          2HD2      LEU  15 -20.288   3.902   1.262
  104    H    CYS  16           H        CYS  16 -14.669   4.539   1.089
  105    HA   CYS  16           HA       CYS  16 -12.238   3.753   1.988
  106    HB2  CYS  16           2HB      CYS  16 -12.836   5.510   0.215
  107    HB3  CYS  16           1HB      CYS  16 -12.768   6.678   1.536
  108    H    SER  17           H        SER  17 -11.235   3.636   3.851
  109    HA   SER  17           HA       SER  17 -12.171   4.615   6.290
  110    HB2  SER  17           2HB      SER  17  -9.282   3.988   5.662
  111    HB3  SER  17           1HB      SER  17 -10.071   3.937   7.239
  112    HG   SER  17           HG       SER  17  -9.850   1.881   6.058
  113    H    THR  18           H        THR  18 -10.314   6.305   3.859
  114    HA   THR  18           HA       THR  18  -9.348   8.342   5.677
  115    HB   THR  18           HB       THR  18  -8.513   9.459   3.688
  116    HG1  THR  18           1HG      THR  18  -9.327   9.074   1.799
  117   HG21  THR  18          3HG2      THR  18  -7.399   7.331   4.644
  118   HG22  THR  18          1HG2      THR  18  -6.920   7.843   3.026
  119   HG23  THR  18          2HG2      THR  18  -8.060   6.514   3.228
  120    H    GLY  19           H        GLY  19 -12.384   7.748   4.226
  121    HA2  GLY  19           2HA      GLY  19 -14.318   8.981   4.307
  122    HA3  GLY  19           1HA      GLY  19 -13.421  10.250   5.132
  123    H    CYS  20           H        CYS  20 -12.766   8.871   1.909
  124    HA   CYS  20           HA       CYS  20 -12.812  11.573   0.813
  125    HB2  CYS  20           2HB      CYS  20 -11.794  10.644  -1.180
  126    HB3  CYS  20           1HB      CYS  20 -10.944  10.043   0.241
  127    H    GLY  21           H        GLY  21 -15.125   9.121   1.181
  128    HA2  GLY  21           2HA      GLY  21 -17.374   9.287   0.575
  129    HA3  GLY  21           1HA      GLY  21 -16.948  10.505  -0.613
  130    H    PHE  22           H        PHE  22 -14.812   8.057  -1.205
  131    HA   PHE  22           HA       PHE  22 -16.508   6.965  -3.331
  132    HB2  PHE  22           2HB      PHE  22 -13.522   7.156  -2.961
  133    HB3  PHE  22           1HB      PHE  22 -14.251   6.127  -4.197
  134    HD1  PHE  22           2HD      PHE  22 -15.671   7.135  -5.990
  135    HD2  PHE  22           1HD      PHE  22 -13.482   9.543  -3.185
  136    HE1  PHE  22           2HE      PHE  22 -15.937   9.104  -7.474
  137    HE2  PHE  22           1HE      PHE  22 -13.749  11.514  -4.668
  138    HZ   PHE  22           HZ       PHE  22 -14.976  11.295  -6.813
  139    H    TYR  23           H        TYR  23 -15.904   4.640  -3.930
  140    HA   TYR  23           HA       TYR  23 -16.421   2.989  -1.615
  141    HB2  TYR  23           2HB      TYR  23 -17.357   2.750  -4.036
  142    HB3  TYR  23           1HB      TYR  23 -15.837   1.908  -4.355
  143    HD1  TYR  23           1HD      TYR  23 -18.771   1.961  -2.050
  144    HD2  TYR  23           2HD      TYR  23 -15.560  -0.349  -3.719
  145    HE1  TYR  23           1HE      TYR  23 -19.699  -0.083  -1.005
  146    HE2  TYR  23           2HE      TYR  23 -16.487  -2.396  -2.673
  147    HH   TYR  23           HH       TYR  23 -17.979  -2.912  -0.655
  148    H    GLY  24           H        GLY  24 -15.114   1.547  -0.633
  149    HA2  GLY  24           2HA      GLY  24 -12.271   1.468  -1.486
  150    HA3  GLY  24           1HA      GLY  24 -12.819   1.315   0.188
  151    H    ASN  25           H        ASN  25 -11.179  -0.580  -1.260
  152    HA   ASN  25           HA       ASN  25 -13.007  -2.866  -1.647
  153    HB2  ASN  25           2HB      ASN  25 -11.037  -2.151  -3.278
  154    HB3  ASN  25           1HB      ASN  25 -10.072  -3.102  -2.152
  155   HD21  ASN  25          1HD2      ASN  25 -13.083  -3.348  -4.128
  156   HD22  ASN  25          2HD2      ASN  25 -12.935  -5.027  -4.402
  157    HA   PRO  26           HA       PRO  26 -11.691  -4.381   2.344
  158    HB2  PRO  26           2HB      PRO  26 -12.646  -6.937   2.216
  159    HB3  PRO  26           1HB      PRO  26 -13.666  -5.512   2.485
  160    HG2  PRO  26           2HG      PRO  26 -13.249  -7.098   0.014
  161    HG3  PRO  26           1HG      PRO  26 -14.717  -6.318   0.624
  162    HD2  PRO  26           2HD      PRO  26 -13.115  -5.267  -1.379
  163    HD3  PRO  26           1HD      PRO  26 -14.207  -4.307  -0.360
  164    H    ARG  27           H        ARG  27 -10.823  -6.041  -0.641
  165    HA   ARG  27           HA       ARG  27  -8.840  -7.757   0.546
  166    HB2  ARG  27           2HB      ARG  27  -9.608  -7.003  -2.256
  167    HB3  ARG  27           1HB      ARG  27  -8.076  -7.826  -1.967
  168    HG2  ARG  27           2HG      ARG  27 -10.587  -8.907  -0.718
  169    HG3  ARG  27           1HG      ARG  27 -10.246  -9.245  -2.415
  170    HD2  ARG  27           2HD      ARG  27  -8.217 -10.363  -1.897
  171    HD3  ARG  27           1HD      ARG  27  -8.182  -9.717  -0.260
  172    HE   ARG  27           HE       ARG  27 -10.511 -11.334  -0.737
  173   HH11  ARG  27          1HH2      ARG  27  -7.093 -11.486   0.091
  174   HH12  ARG  27          2HH2      ARG  27  -7.242 -13.039   0.836
  175   HH21  ARG  27          1HH1      ARG  27 -10.632 -13.348   0.246
  176   HH22  ARG  27          2HH1      ARG  27  -9.218 -14.081   0.926
  177    H    THR  28           H        THR  28  -8.928  -4.475  -0.637
  178    HA   THR  28           HA       THR  28  -6.031  -4.200  -0.762
  179    HB   THR  28           HB       THR  28  -6.506  -1.859  -1.334
  180    HG1  THR  28           1HG      THR  28  -8.296  -0.980  -0.723
  181   HG21  THR  28          3HG2      THR  28  -6.681  -3.272  -3.228
  182   HG22  THR  28          1HG2      THR  28  -8.138  -2.279  -3.272
  183   HG23  THR  28          2HG2      THR  28  -8.220  -3.940  -2.688
  184    H    ASN  29           H        ASN  29  -6.139  -1.478   0.565
  185    HA   ASN  29           HA       ASN  29  -5.892  -2.425   3.322
  186    HB2  ASN  29           2HB      ASN  29  -4.916  -0.026   1.812
  187    HB3  ASN  29           1HB      ASN  29  -5.068   0.072   3.569
  188   HD21  ASN  29          1HD2      ASN  29  -2.547   0.021   1.932
  189   HD22  ASN  29          2HD2      ASN  29  -1.669  -1.326   2.503
  190    H    GLY  30           H        GLY  30  -8.601  -2.049   2.049
  191    HA2  GLY  30           2HA      GLY  30 -10.651  -1.379   2.851
  192    HA3  GLY  30           1HA      GLY  30  -9.827  -0.607   4.207
  193    H    MET  31           H        MET  31  -8.672   0.298   1.055
  194    HA   MET  31           HA       MET  31 -10.218   2.822   1.190
  195    HB2  MET  31           2HB      MET  31  -7.345   2.456   0.303
  196    HB3  MET  31           1HB      MET  31  -8.246   3.975   0.307
  197    HG2  MET  31           2HG      MET  31  -8.522   3.801   2.755
  198    HG3  MET  31           1HG      MET  31  -7.600   2.297   2.750
  199    HE1  MET  31           3HE      MET  31  -6.468   4.131   4.700
  200    HE2  MET  31           1HE      MET  31  -4.760   4.174   4.238
  201    HE3  MET  31           2HE      MET  31  -5.677   2.675   4.099
  202    H    CYS  32           H        CYS  32 -10.134   4.019  -0.921
  203    HA   CYS  32           HA       CYS  32 -11.090   2.301  -3.018
  204    HB2  CYS  32           2HB      CYS  32 -11.656   4.380  -4.164
  205    HB3  CYS  32           1HB      CYS  32 -12.162   4.473  -2.481
  206    H    SER  33           H        SER  33 -10.203   3.529  -5.347
  207    HA   SER  33           HA       SER  33  -7.641   2.285  -5.636
  208    HB2  SER  33           2HB      SER  33  -9.688   2.852  -7.345
  209    HB3  SER  33           1HB      SER  33  -8.508   4.072  -7.816
  210    HG   SER  33           HG       SER  33  -7.091   2.511  -8.331
  211    H    VAL  34           H        VAL  34  -8.689   5.693  -5.669
  212    HA   VAL  34           HA       VAL  34  -6.196   6.837  -6.321
  213    HB   VAL  34           HB       VAL  34  -8.348   8.111  -4.607
  214   HG11  VAL  34          1HG1      VAL  34  -6.223   9.230  -6.462
  215   HG12  VAL  34          2HG1      VAL  34  -6.292   9.412  -4.709
  216   HG13  VAL  34          3HG1      VAL  34  -7.506  10.190  -5.725
  217   HG21  VAL  34          3HG2      VAL  34  -8.134   7.781  -7.609
  218   HG22  VAL  34          1HG2      VAL  34  -9.158   9.001  -6.853
  219   HG23  VAL  34          2HG2      VAL  34  -9.469   7.291  -6.567
  220    H    CYS  35           H        CYS  35  -7.703   6.404  -3.121
  221    HA   CYS  35           HA       CYS  35  -5.506   7.448  -1.658
  222    HB2  CYS  35           2HB      CYS  35  -7.764   5.663  -0.718
  223    HB3  CYS  35           1HB      CYS  35  -6.677   6.586   0.320
  224    H    TYR  36           H        TYR  36  -6.419   4.177  -2.658
  225    HA   TYR  36           HA       TYR  36  -4.661   2.797  -0.926
  226    HB2  TYR  36           2HB      TYR  36  -6.537   1.699  -2.067
  227    HB3  TYR  36           1HB      TYR  36  -5.715   1.893  -3.616
  228    HD1  TYR  36           2HD      TYR  36  -4.758   0.726  -0.156
  229    HD2  TYR  36           1HD      TYR  36  -4.719  -0.062  -4.383
  230    HE1  TYR  36           2HE      TYR  36  -3.539  -1.395   0.247
  231    HE2  TYR  36           1HE      TYR  36  -3.497  -2.180  -3.976
  232    HH   TYR  36           HH       TYR  36  -3.341  -3.685  -1.111
  233    H    LYS  37           H        LYS  37  -4.066   4.300  -4.112
  234    HA   LYS  37           HA       LYS  37  -1.512   3.003  -4.377
  235    HB2  LYS  37           2HB      LYS  37  -1.182   4.534  -6.308
  236    HB3  LYS  37           1HB      LYS  37  -2.666   3.596  -6.409
  237    HG2  LYS  37           2HG      LYS  37  -3.985   5.507  -5.683
  238    HG3  LYS  37           1HG      LYS  37  -2.526   6.454  -5.402
  239    HD2  LYS  37           2HD      LYS  37  -3.231   7.172  -7.529
  240    HD3  LYS  37           1HD      LYS  37  -1.995   5.967  -7.896
  241    HE2  LYS  37           2HE      LYS  37  -3.808   4.247  -8.097
  242    HE3  LYS  37           1HE      LYS  37  -4.997   5.534  -7.895
  243    HZ1  LYS  37           3HZ      LYS  37  -4.438   4.915 -10.243
  244    HZ2  LYS  37           1HZ      LYS  37  -2.905   5.592  -9.989
  245    HZ3  LYS  37           2HZ      LYS  37  -4.292   6.565  -9.873
  246    H    GLU  38           H        GLU  38  -2.641   6.239  -3.400
  247    HA   GLU  38           HA       GLU  38  -0.076   7.400  -3.080
  248    HB2  GLU  38           2HB      GLU  38  -2.650   8.035  -1.615
  249    HB3  GLU  38           1HB      GLU  38  -1.214   9.053  -1.652
  250    HG2  GLU  38           2HG      GLU  38  -1.533   8.792  -4.292
  251    HG3  GLU  38           1HG      GLU  38  -3.204   8.494  -3.815
  252    H    HIS  39           H        HIS  39  -2.243   5.725  -0.809
  253    HA   HIS  39           HA       HIS  39  -0.717   5.991   1.528
  254    HB2  HIS  39           2HB      HIS  39  -3.120   5.141   1.200
  255    HB3  HIS  39           1HB      HIS  39  -2.389   3.577   0.837
  256    HD1  HIS  39           1HD      HIS  39  -2.410   6.185   3.613
  257    HD2  HIS  39           2HD      HIS  39  -1.785   2.097   3.081
  258    HE1  HIS  39           1HE      HIS  39  -2.189   5.189   5.926
  259    HE2  HIS  39           2HE      HIS  39  -1.751   2.707   5.624
  260    H    LEU  40           H        LEU  40  -0.703   3.415  -0.938
  261    HA   LEU  40           HA       LEU  40   1.170   1.748   0.376
  262    HB2  LEU  40           2HB      LEU  40  -0.309   1.734  -2.089
  263    HB3  LEU  40           1HB      LEU  40   1.371   1.331  -2.447
  264    HG   LEU  40           HG       LEU  40   1.265  -0.350  -0.550
  265   HD11  LEU  40          1HD1      LEU  40  -1.119  -1.080   0.006
  266   HD12  LEU  40          2HD1      LEU  40  -1.657   0.437  -0.711
  267   HD13  LEU  40          3HD1      LEU  40  -0.617   0.457   0.713
  268   HD21  LEU  40          3HD2      LEU  40  -0.559  -0.612  -2.953
  269   HD22  LEU  40          1HD2      LEU  40  -0.158  -1.970  -1.899
  270   HD23  LEU  40          2HD2      LEU  40   1.113  -1.155  -2.812
  271    H    GLN  41           H        GLN  41   1.611   4.540  -1.705
  272    HA   GLN  41           HA       GLN  41   4.383   4.038  -2.268
  273    HB2  GLN  41           2HB      GLN  41   2.417   6.084  -2.919
  274    HB3  GLN  41           1HB      GLN  41   3.948   6.827  -2.460
  275    HG2  GLN  41           2HG      GLN  41   5.126   5.366  -4.083
  276    HG3  GLN  41           1HG      GLN  41   3.577   4.675  -4.568
  277   HE21  GLN  41          1HE2      GLN  41   5.553   7.626  -4.692
  278   HE22  GLN  41          2HE2      GLN  41   4.624   8.391  -5.901
  279    H    ARG  42           H        ARG  42   2.615   5.631   0.315
  280    HA   ARG  42           HA       ARG  42   4.889   6.933   1.489
  281    HB2  ARG  42           2HB      ARG  42   2.401   7.528   1.764
  282    HB3  ARG  42           1HB      ARG  42   2.357   6.221   2.948
  283    HG2  ARG  42           2HG      ARG  42   3.911   7.301   4.369
  284    HG3  ARG  42           1HG      ARG  42   4.447   8.395   3.095
  285    HD2  ARG  42           2HD      ARG  42   2.385   9.611   3.149
  286    HD3  ARG  42           1HD      ARG  42   1.621   8.392   4.165
  287    HE   ARG  42           HE       ARG  42   3.394  10.508   5.036
  288   HH11  ARG  42          1HH2      ARG  42   2.062   7.352   5.846
  289   HH12  ARG  42          2HH2      ARG  42   2.402   7.527   7.528
  290   HH21  ARG  42          1HH1      ARG  42   3.840  10.655   7.235
  291   HH22  ARG  42          2HH1      ARG  42   3.397   9.366   8.306
  292    H    GLN  43           H        GLN  43   3.338   3.798   1.847
  293    HA   GLN  43           HA       GLN  43   4.670   3.088   4.285
  294    HB2  GLN  43           2HB      GLN  43   2.505   2.079   3.300
  295    HB3  GLN  43           1HB      GLN  43   3.586   1.089   2.316
  296    HG2  GLN  43           2HG      GLN  43   3.124  -0.178   4.304
  297    HG3  GLN  43           1HG      GLN  43   4.764   0.437   4.471
  298   HE21  GLN  43          1HE2      GLN  43   1.382   1.320   5.354
  299   HE22  GLN  43          2HE2      GLN  43   1.806   2.062   6.822
  300    H    GLN  44           H        GLN  44   5.520   2.965   0.899
  301    HA   GLN  44           HA       GLN  44   7.637   1.034   1.202
  302    HB2  GLN  44           2HB      GLN  44   6.950   2.948  -1.042
  303    HB3  GLN  44           1HB      GLN  44   8.180   1.689  -1.140
  304    HG2  GLN  44           2HG      GLN  44   5.518   0.752  -0.212
  305    HG3  GLN  44           1HG      GLN  44   5.558   1.353  -1.867
  306   HE21  GLN  44          1HE2      GLN  44   6.172  -1.388   0.056
  307   HE22  GLN  44          2HE2      GLN  44   7.068  -2.274  -1.086
  308    H    ASN  45           H        ASN  45   7.336   4.485   1.590
  309    HA   ASN  45           HA       ASN  45   9.997   5.260   1.046
  310    HB2  ASN  45           2HB      ASN  45   7.627   6.444   2.346
  311    HB3  ASN  45           1HB      ASN  45   9.163   7.087   2.918
  312   HD21  ASN  45          1HD2      ASN  45  10.412   8.387   1.462
  313   HD22  ASN  45          2HD2      ASN  45   9.835   8.844  -0.075
  314    H    SER  46           H        SER  46   8.490   4.009   4.004
  315    HA   SER  46           HA       SER  46  10.777   4.552   5.657
  316    HB2  SER  46           2HB      SER  46   9.637   3.164   7.328
  317    HB3  SER  46           1HB      SER  46   8.517   4.317   6.613
  318    HG   SER  46           HG       SER  46   8.219   1.746   6.752
  319    H    GLY  47           H        GLY  47   9.374   1.452   4.547
  320    HA2  GLY  47           2HA      GLY  47  10.333  -0.564   4.016
  321    HA3  GLY  47           1HA      GLY  47  11.715   0.373   3.467
  322    H    ARG  48           H        ARG  48  10.262  -0.437   6.650
  323    HA   ARG  48           HA       ARG  48  12.908  -0.713   7.823
  324    HB2  ARG  48           2HB      ARG  48  10.122  -0.546   8.810
  325    HB3  ARG  48           1HB      ARG  48  11.159  -1.618   9.746
  326    HG2  ARG  48           2HG      ARG  48  11.778   0.292  10.825
  327    HG3  ARG  48           1HG      ARG  48  12.825   0.537   9.431
  328    HD2  ARG  48           2HD      ARG  48  11.633   2.574   9.661
  329    HD3  ARG  48           1HD      ARG  48  10.823   1.728   8.345
  330    HE   ARG  48           HE       ARG  48   9.402   0.926  10.502
  331   HH11  ARG  48          1HH2      ARG  48  10.360   4.127   9.391
  332   HH12  ARG  48          2HH2      ARG  48   8.997   4.897  10.124
  333   HH21  ARG  48          1HH1      ARG  48   7.656   1.987  11.424
  334   HH22  ARG  48          2HH1      ARG  48   7.484   3.703  11.260
  335    H    MET  49           H        MET  49  13.252  -2.734   9.259
  336    HA   MET  49           HA       MET  49  12.645  -5.114   7.608
  337    HB2  MET  49           2HB      MET  49  14.969  -4.477   9.434
  338    HB3  MET  49           1HB      MET  49  14.688  -6.072   8.735
  339    HG2  MET  49           2HG      MET  49  14.930  -5.244   6.507
  340    HG3  MET  49           1HG      MET  49  14.855  -3.566   7.051
  341    HE1  MET  49           3HE      MET  49  16.780  -5.428   5.295
  342    HE2  MET  49           1HE      MET  49  18.453  -4.989   5.667
  343    HE3  MET  49           2HE      MET  49  17.276  -3.738   5.277
  344    H    SER  50           H        SER  50  10.714  -4.195   9.457
  345    HA   SER  50           HA       SER  50  10.944  -6.029  11.753
  346    HB2  SER  50           2HB      SER  50   9.068  -3.745  11.134
  347    HB3  SER  50           1HB      SER  50   8.811  -4.853  12.478
  348    HG   SER  50           HG       SER  50  11.099  -3.236  12.000
  349    HA   PRO  51           HA       PRO  51   8.061  -8.806   9.834
  350    HB2  PRO  51           2HB      PRO  51   7.098 -10.175  11.956
  351    HB3  PRO  51           1HB      PRO  51   8.788 -10.317  11.436
  352    HG2  PRO  51           2HG      PRO  51   7.630  -8.811  13.715
  353    HG3  PRO  51           1HG      PRO  51   9.173  -9.671  13.593
  354    HD2  PRO  51           2HD      PRO  51   8.844  -6.899  13.340
  355    HD3  PRO  51           1HD      PRO  51  10.263  -7.822  12.799
  356    H    MET  52           H        MET  52   5.689  -9.643  10.093
  357    HA   MET  52           HA       MET  52   3.978  -7.291  10.344
  358    HB2  MET  52           2HB      MET  52   3.650 -10.044   9.182
  359    HB3  MET  52           1HB      MET  52   2.237  -9.042   9.512
  360    HG2  MET  52           2HG      MET  52   2.777  -8.479   7.291
  361    HG3  MET  52           1HG      MET  52   3.527  -7.186   8.226
  362    HE1  MET  52           3HE      MET  52   5.550  -8.816   4.973
  363    HE2  MET  52           1HE      MET  52   4.066  -7.931   5.349
  364    HE3  MET  52           2HE      MET  52   4.093  -9.690   5.439
  365    H    GLY  53           H        GLY  53   1.655  -7.921  11.215
  366    HA2  GLY  53           2HA      GLY  53   0.321  -8.768  12.934
  367    HA3  GLY  53           1HA      GLY  53   1.704  -9.682  13.529
  368    H    THR  54           H        THR  54   1.673  -6.214  12.845
  369    HA   THR  54           HA       THR  54   2.048  -5.681  15.740
  370    HB   THR  54           HB       THR  54   3.127  -3.973  13.498
  371    HG1  THR  54           1HG      THR  54   4.773  -5.264  13.347
  372   HG21  THR  54          3HG2      THR  54   2.871  -3.035  15.816
  373   HG22  THR  54          1HG2      THR  54   4.539  -3.074  15.246
  374   HG23  THR  54          2HG2      THR  54   3.971  -4.289  16.390
  375    H    ALA  55           H        ALA  55   0.191  -4.860  16.501
  376    HA   ALA  55           HA       ALA  55  -1.443  -3.108  14.802
  377    HB1  ALA  55           1HB      ALA  55  -3.169  -3.400  16.496
  378    HB2  ALA  55           2HB      ALA  55  -2.030  -4.242  17.547
  379    HB3  ALA  55           3HB      ALA  55  -2.531  -4.976  16.024
  380    H    SER  56           H        SER  56   0.211  -3.125  17.950
  381    HA   SER  56           HA       SER  56  -0.449  -0.377  18.521
  382    HB2  SER  56           2HB      SER  56   1.714  -2.027  19.827
  383    HB3  SER  56           1HB      SER  56   0.848  -0.650  20.500
  384    HG   SER  56           HG       SER  56   0.105  -2.786  21.178
  385    H    GLY  57           H        GLY  57   1.116   1.344  18.732
  386    HA2  GLY  57           2HA      GLY  57   3.076   2.504  18.206
  387    HA3  GLY  57           1HA      GLY  57   3.693   1.060  17.407
  388    H    SER  58           H        SER  58   0.882   3.240  17.003
  389    HA   SER  58           HA       SER  58   1.719   3.891  14.290
  390    HB2  SER  58           2HB      SER  58  -0.985   2.624  14.758
  391    HB3  SER  58           1HB      SER  58  -0.279   3.101  13.216
  392    HG   SER  58           HG       SER  58   0.110   0.849  14.721
  393    H    ASN  59           H        ASN  59  -1.220   4.004  16.334
  394    HA   ASN  59           HA       ASN  59  -1.687   6.768  15.543
  395    HB2  ASN  59           2HB      ASN  59  -3.753   6.548  16.922
  396    HB3  ASN  59           1HB      ASN  59  -3.629   5.324  15.663
  397   HD21  ASN  59          1HD2      ASN  59  -4.376   5.698  18.906
  398   HD22  ASN  59          2HD2      ASN  59  -4.048   4.120  19.438
  399    H    SER  60           H        SER  60  -1.221   8.530  16.726
  400    HA   SER  60           HA       SER  60  -0.907   8.430  19.590
  401    HB2  SER  60           2HB      SER  60   1.283   7.556  18.897
  402    HB3  SER  60           1HB      SER  60   1.525   8.960  17.860
  403    HG   SER  60           HG       SER  60   2.304   8.829  20.252
  404    HA   PRO  61           HA       PRO  61  -2.442  12.467  17.871
  405    HB2  PRO  61           2HB      PRO  61  -3.693  12.586  20.566
  406    HB3  PRO  61           1HB      PRO  61  -4.422  12.833  18.970
  407    HG2  PRO  61           2HG      PRO  61  -4.890  10.636  20.408
  408    HG3  PRO  61           1HG      PRO  61  -4.781  10.596  18.638
  409    HD2  PRO  61           2HD      PRO  61  -2.763   9.713  20.672
  410    HD3  PRO  61           1HD      PRO  61  -3.157   9.002  19.090
  411    H    THR  62           H        THR  62  -2.074  14.686  18.626
  412    HA   THR  62           HA       THR  62  -0.554  15.189  21.007
  413    HB   THR  62           HB       THR  62   1.248  14.231  19.685
  414    HG1  THR  62           1HG      THR  62   1.458  17.059  19.661
  415   HG21  THR  62          3HG2      THR  62   0.746  16.377  17.612
  416   HG22  THR  62          1HG2      THR  62   0.126  14.732  17.455
  417   HG23  THR  62          2HG2      THR  62   1.865  15.018  17.510
  Start of MODEL   13
    1    H1   GLY   1           1HT      GLY   1 -19.210 -30.915 -14.549
    2    H2   GLY   1           2HT      GLY   1 -17.558 -30.850 -14.937
    3    H3   GLY   1           3HT      GLY   1 -18.661 -31.552 -16.022
    4    HA2  GLY   1           2HA      GLY   1 -17.860 -29.225 -16.565
    5    HA3  GLY   1           1HA      GLY   1 -19.600 -29.513 -16.608
    6    H    SER   2           H        SER   2 -17.008 -28.516 -14.360
    7    HA   SER   2           HA       SER   2 -18.954 -26.742 -12.995
    8    HB2  SER   2           2HB      SER   2 -17.991 -28.536 -11.572
    9    HB3  SER   2           1HB      SER   2 -16.380 -27.909 -11.907
   10    HG   SER   2           HG       SER   2 -17.611 -27.168  -9.934
   11    H    MET   3           H        MET   3 -18.669 -24.630 -13.326
   12    HA   MET   3           HA       MET   3 -16.193 -23.663 -14.539
   13    HB2  MET   3           2HB      MET   3 -18.855 -22.344 -13.973
   14    HB3  MET   3           1HB      MET   3 -17.477 -21.498 -14.675
   15    HG2  MET   3           2HG      MET   3 -17.439 -23.052 -16.563
   16    HG3  MET   3           1HG      MET   3 -18.755 -23.985 -15.848
   17    HE1  MET   3           3HE      MET   3 -18.862 -22.425 -18.966
   18    HE2  MET   3           1HE      MET   3 -20.613 -22.557 -18.761
   19    HE3  MET   3           2HE      MET   3 -19.553 -23.823 -18.149
   20    H    ALA   4           H        ALA   4 -15.673 -21.270 -13.694
   21    HA   ALA   4           HA       ALA   4 -15.648 -21.243 -10.748
   22    HB1  ALA   4           1HB      ALA   4 -13.528 -22.144 -11.067
   23    HB2  ALA   4           2HB      ALA   4 -13.179 -20.415 -11.058
   24    HB3  ALA   4           3HB      ALA   4 -13.279 -21.287 -12.587
   25    H    GLN   5           H        GLN   5 -17.199 -19.704 -12.660
   26    HA   GLN   5           HA       GLN   5 -16.092 -16.992 -12.180
   27    HB2  GLN   5           2HB      GLN   5 -17.739 -18.054 -14.483
   28    HB3  GLN   5           1HB      GLN   5 -17.530 -16.331 -14.168
   29    HG2  GLN   5           2HG      GLN   5 -15.803 -16.817 -15.693
   30    HG3  GLN   5           1HG      GLN   5 -14.993 -16.861 -14.128
   31   HE21  GLN   5          1HE2      GLN   5 -16.796 -19.143 -16.279
   32   HE22  GLN   5          2HE2      GLN   5 -15.739 -20.453 -15.999
   33    H    GLU   6           H        GLU   6 -17.677 -18.507 -10.302
   34    HA   GLU   6           HA       GLU   6 -20.411 -17.630 -10.419
   35    HB2  GLU   6           2HB      GLU   6 -18.761 -18.802  -8.169
   36    HB3  GLU   6           1HB      GLU   6 -20.490 -18.475  -8.063
   37    HG2  GLU   6           2HG      GLU   6 -21.001 -20.060  -9.765
   38    HG3  GLU   6           1HG      GLU   6 -19.312 -20.181 -10.261
   39    H    THR   7           H        THR   7 -21.432 -16.059  -9.145
   40    HA   THR   7           HA       THR   7 -19.836 -13.718  -8.609
   41    HB   THR   7           HB       THR   7 -22.053 -13.457  -9.586
   42    HG1  THR   7           1HG      THR   7 -22.641 -11.815  -8.311
   43   HG21  THR   7          3HG2      THR   7 -22.940 -14.919  -7.096
   44   HG22  THR   7          1HG2      THR   7 -23.301 -15.305  -8.779
   45   HG23  THR   7          2HG2      THR   7 -24.048 -13.902  -8.016
   46    H    ASN   8           H        ASN   8 -19.620 -12.644  -6.598
   47    HA   ASN   8           HA       ASN   8 -20.159 -14.289  -4.196
   48    HB2  ASN   8           2HB      ASN   8 -17.732 -14.348  -5.021
   49    HB3  ASN   8           1HB      ASN   8 -17.649 -12.651  -4.554
   50   HD21  ASN   8          1HD2      ASN   8 -17.376 -12.177  -2.332
   51   HD22  ASN   8          2HD2      ASN   8 -17.361 -13.369  -1.110
   52    H    GLN   9           H        GLN   9 -21.709 -12.102  -5.279
   53    HA   GLN   9           HA       GLN   9 -21.112  -9.679  -3.871
   54    HB2  GLN   9           2HB      GLN   9 -23.650 -10.655  -5.199
   55    HB3  GLN   9           1HB      GLN   9 -23.435  -9.034  -4.538
   56    HG2  GLN   9           2HG      GLN   9 -21.455 -10.150  -6.514
   57    HG3  GLN   9           1HG      GLN   9 -22.957  -9.413  -7.071
   58   HE21  GLN   9          1HE2      GLN   9 -23.383  -7.162  -5.843
   59   HE22  GLN   9          2HE2      GLN   9 -22.022  -6.137  -5.760
   60    H    THR  10           H        THR  10 -21.380  -9.283  -1.785
   61    HA   THR  10           HA       THR  10 -23.660 -10.386  -0.332
   62    HB   THR  10           HB       THR  10 -21.973 -11.021   1.550
   63    HG1  THR  10           1HG      THR  10 -19.959 -11.598   0.764
   64   HG21  THR  10          3HG2      THR  10 -23.347 -12.496  -0.246
   65   HG22  THR  10          1HG2      THR  10 -22.243 -13.215   0.926
   66   HG23  THR  10          2HG2      THR  10 -21.704 -12.921  -0.726
   67    HA   PRO  11           HA       PRO  11 -23.639  -6.461   1.720
   68    HB2  PRO  11           2HB      PRO  11 -23.755  -7.173   4.437
   69    HB3  PRO  11           1HB      PRO  11 -25.141  -6.986   3.349
   70    HG2  PRO  11           2HG      PRO  11 -23.762  -9.448   4.246
   71    HG3  PRO  11           1HG      PRO  11 -25.471  -9.176   3.869
   72    HD2  PRO  11           2HD      PRO  11 -23.810 -10.502   2.182
   73    HD3  PRO  11           1HD      PRO  11 -25.164  -9.513   1.595
   74    H    GLY  12           H        GLY  12 -21.657  -5.519   1.383
   75    HA2  GLY  12           2HA      GLY  12 -19.747  -5.530   3.563
   76    HA3  GLY  12           1HA      GLY  12 -19.142  -6.250   2.073
   77    HA   PRO  13           HA       PRO  13 -19.914  -1.808   0.507
   78    HB2  PRO  13           2HB      PRO  13 -21.308  -0.007   2.024
   79    HB3  PRO  13           1HB      PRO  13 -22.075  -1.111   0.862
   80    HG2  PRO  13           2HG      PRO  13 -21.832  -1.352   3.826
   81    HG3  PRO  13           1HG      PRO  13 -23.219  -1.696   2.775
   82    HD2  PRO  13           2HD      PRO  13 -21.612  -3.667   3.745
   83    HD3  PRO  13           1HD      PRO  13 -22.411  -3.783   2.159
   84    H    MET  14           H        MET  14 -17.652  -2.250   1.431
   85    HA   MET  14           HA       MET  14 -16.800  -0.838   3.769
   86    HB2  MET  14           2HB      MET  14 -15.384  -2.242   1.521
   87    HB3  MET  14           1HB      MET  14 -14.484  -1.323   2.728
   88    HG2  MET  14           2HG      MET  14 -16.541  -3.375   3.526
   89    HG3  MET  14           1HG      MET  14 -14.867  -3.832   3.210
   90    HE1  MET  14           3HE      MET  14 -15.341  -3.841   7.114
   91    HE2  MET  14           1HE      MET  14 -14.600  -4.737   5.782
   92    HE3  MET  14           2HE      MET  14 -16.329  -4.404   5.768
   93    H    LEU  15           H        LEU  15 -17.219   1.342   3.678
   94    HA   LEU  15           HA       LEU  15 -16.557   2.940   1.367
   95    HB2  LEU  15           2HB      LEU  15 -18.032   3.268   3.819
   96    HB3  LEU  15           1HB      LEU  15 -16.865   4.581   3.695
   97    HG   LEU  15           HG       LEU  15 -17.702   5.061   1.387
   98   HD11  LEU  15          1HD1      LEU  15 -19.940   4.017   0.803
   99   HD12  LEU  15          2HD1      LEU  15 -19.656   2.862   2.105
  100   HD13  LEU  15          3HD1      LEU  15 -18.562   2.918   0.722
  101   HD21  LEU  15          3HD2      LEU  15 -19.975   4.993   3.383
  102   HD22  LEU  15          1HD2      LEU  15 -19.702   6.172   2.100
  103   HD23  LEU  15          2HD2      LEU  15 -18.635   6.132   3.503
  104    H    CYS  16           H        CYS  16 -14.805   4.339   1.105
  105    HA   CYS  16           HA       CYS  16 -12.307   3.570   1.953
  106    HB2  CYS  16           2HB      CYS  16 -12.950   5.259   0.132
  107    HB3  CYS  16           1HB      CYS  16 -12.926   6.467   1.422
  108    H    SER  17           H        SER  17 -11.238   3.583   3.786
  109    HA   SER  17           HA       SER  17 -12.242   4.657   6.204
  110    HB2  SER  17           2HB      SER  17  -9.373   3.888   5.694
  111    HB3  SER  17           1HB      SER  17 -10.263   3.816   7.215
  112    HG   SER  17           HG       SER  17  -9.978   1.889   5.533
  113    H    THR  18           H        THR  18  -9.989   5.946   3.823
  114    HA   THR  18           HA       THR  18  -8.806   7.939   5.441
  115    HB   THR  18           HB       THR  18  -8.064   8.963   3.373
  116    HG1  THR  18           1HG      THR  18  -9.427   8.902   1.798
  117   HG21  THR  18          3HG2      THR  18  -7.295   6.557   4.218
  118   HG22  THR  18          1HG2      THR  18  -6.701   7.221   2.694
  119   HG23  THR  18          2HG2      THR  18  -8.024   6.056   2.693
  120    H    GLY  19           H        GLY  19 -11.950   7.821   3.935
  121    HA2  GLY  19           2HA      GLY  19 -13.716   9.256   4.483
  122    HA3  GLY  19           1HA      GLY  19 -12.549  10.422   5.105
  123    H    CYS  20           H        CYS  20 -12.466   8.890   1.893
  124    HA   CYS  20           HA       CYS  20 -12.435  11.547   0.687
  125    HB2  CYS  20           2HB      CYS  20 -11.840  10.445  -1.400
  126    HB3  CYS  20           1HB      CYS  20 -10.822   9.832  -0.098
  127    H    GLY  21           H        GLY  21 -14.786   9.137   1.383
  128    HA2  GLY  21           2HA      GLY  21 -17.088   9.374   1.191
  129    HA3  GLY  21           1HA      GLY  21 -16.845  10.687   0.050
  130    H    PHE  22           H        PHE  22 -15.023   7.885  -0.750
  131    HA   PHE  22           HA       PHE  22 -17.024   7.159  -2.790
  132    HB2  PHE  22           2HB      PHE  22 -14.007   7.173  -2.848
  133    HB3  PHE  22           1HB      PHE  22 -14.982   6.335  -4.063
  134    HD1  PHE  22           2HD      PHE  22 -16.823   7.692  -5.257
  135    HD2  PHE  22           1HD      PHE  22 -13.618   9.493  -3.033
  136    HE1  PHE  22           2HE      PHE  22 -17.223   9.840  -6.426
  137    HE2  PHE  22           1HE      PHE  22 -14.019  11.646  -4.203
  138    HZ   PHE  22           HZ       PHE  22 -15.824  11.817  -5.896
  139    H    TYR  23           H        TYR  23 -16.483   4.915  -3.705
  140    HA   TYR  23           HA       TYR  23 -16.856   3.014  -1.555
  141    HB2  TYR  23           2HB      TYR  23 -18.009   3.104  -3.899
  142    HB3  TYR  23           1HB      TYR  23 -16.563   2.253  -4.447
  143    HD1  TYR  23           2HD      TYR  23 -18.903   2.115  -1.502
  144    HD2  TYR  23           1HD      TYR  23 -16.727  -0.058  -4.503
  145    HE1  TYR  23           2HE      TYR  23 -19.824  -0.006  -0.622
  146    HE2  TYR  23           1HE      TYR  23 -17.653  -2.186  -3.627
  147    HH   TYR  23           HH       TYR  23 -19.975  -2.729  -2.207
  148    H    GLY  24           H        GLY  24 -15.486   1.388  -0.893
  149    HA2  GLY  24           2HA      GLY  24 -12.782   1.324  -2.128
  150    HA3  GLY  24           1HA      GLY  24 -13.030   1.264  -0.379
  151    H    ASN  25           H        ASN  25 -11.619  -0.769  -1.019
  152    HA   ASN  25           HA       ASN  25 -13.481  -3.056  -1.289
  153    HB2  ASN  25           2HB      ASN  25 -11.818  -2.468  -3.280
  154    HB3  ASN  25           1HB      ASN  25 -10.669  -3.332  -2.272
  155   HD21  ASN  25          1HD2      ASN  25 -14.167  -3.857  -3.037
  156   HD22  ASN  25          2HD2      ASN  25 -13.962  -5.491  -3.479
  157    HA   PRO  26           HA       PRO  26 -11.394  -4.288   2.465
  158    HB2  PRO  26           2HB      PRO  26 -12.414  -6.805   2.752
  159    HB3  PRO  26           1HB      PRO  26 -13.311  -5.322   3.118
  160    HG2  PRO  26           2HG      PRO  26 -13.542  -7.147   0.810
  161    HG3  PRO  26           1HG      PRO  26 -14.769  -6.133   1.582
  162    HD2  PRO  26           2HD      PRO  26 -13.422  -5.540  -0.814
  163    HD3  PRO  26           1HD      PRO  26 -14.376  -4.403   0.156
  164    H    ARG  27           H        ARG  27 -10.922  -5.892  -0.586
  165    HA   ARG  27           HA       ARG  27  -8.965  -7.810   0.344
  166    HB2  ARG  27           2HB      ARG  27  -9.614  -6.786  -2.432
  167    HB3  ARG  27           1HB      ARG  27  -8.507  -8.109  -2.079
  168    HG2  ARG  27           2HG      ARG  27 -10.247  -9.491  -1.252
  169    HG3  ARG  27           1HG      ARG  27 -11.368  -8.136  -1.118
  170    HD2  ARG  27           2HD      ARG  27 -11.226  -7.873  -3.619
  171    HD3  ARG  27           1HD      ARG  27 -10.289  -9.362  -3.668
  172    HE   ARG  27           HE       ARG  27 -12.605  -9.977  -2.276
  173   HH11  ARG  27          1HH2      ARG  27 -11.793  -8.844  -5.508
  174   HH12  ARG  27          2HH2      ARG  27 -13.236  -9.493  -6.207
  175   HH21  ARG  27          1HH1      ARG  27 -14.447 -10.813  -3.250
  176   HH22  ARG  27          2HH1      ARG  27 -14.717 -10.596  -4.948
  177    H    THR  28           H        THR  28  -9.032  -4.567  -1.010
  178    HA   THR  28           HA       THR  28  -6.155  -4.328  -1.298
  179    HB   THR  28           HB       THR  28  -6.617  -1.948  -1.717
  180    HG1  THR  28           1HG      THR  28  -8.288  -1.085  -0.828
  181   HG21  THR  28          3HG2      THR  28  -8.560  -2.336  -3.460
  182   HG22  THR  28          1HG2      THR  28  -8.323  -4.028  -3.030
  183   HG23  THR  28          2HG2      THR  28  -6.986  -3.095  -3.695
  184    H    ASN  29           H        ASN  29  -5.922  -1.719   0.135
  185    HA   ASN  29           HA       ASN  29  -5.560  -2.823   2.819
  186    HB2  ASN  29           2HB      ASN  29  -4.555  -0.375   1.400
  187    HB3  ASN  29           1HB      ASN  29  -4.445  -0.509   3.157
  188   HD21  ASN  29          1HD2      ASN  29  -2.258  -1.011   3.517
  189   HD22  ASN  29          2HD2      ASN  29  -1.439  -2.304   2.760
  190    H    GLY  30           H        GLY  30  -8.314  -2.070   1.774
  191    HA2  GLY  30           2HA      GLY  30 -10.200  -1.354   2.895
  192    HA3  GLY  30           1HA      GLY  30  -9.166  -0.600   4.109
  193    H    MET  31           H        MET  31  -8.144   0.288   0.993
  194    HA   MET  31           HA       MET  31  -9.622   2.841   1.145
  195    HB2  MET  31           2HB      MET  31  -6.785   2.127   0.492
  196    HB3  MET  31           1HB      MET  31  -7.496   3.570  -0.236
  197    HG2  MET  31           2HG      MET  31  -6.553   4.365   1.754
  198    HG3  MET  31           1HG      MET  31  -8.247   4.153   2.172
  199    HE1  MET  31           3HE      MET  31  -5.476   4.456   3.456
  200    HE2  MET  31           1HE      MET  31  -4.612   2.980   3.904
  201    HE3  MET  31           2HE      MET  31  -5.786   3.688   5.009
  202    H    CYS  32           H        CYS  32  -9.898   3.938  -0.945
  203    HA   CYS  32           HA       CYS  32 -10.948   2.140  -2.916
  204    HB2  CYS  32           2HB      CYS  32 -11.738   4.158  -4.041
  205    HB3  CYS  32           1HB      CYS  32 -12.076   4.270  -2.316
  206    H    SER  33           H        SER  33 -10.242   3.691  -5.308
  207    HA   SER  33           HA       SER  33  -7.765   2.369  -5.897
  208    HB2  SER  33           2HB      SER  33  -9.892   3.199  -7.406
  209    HB3  SER  33           1HB      SER  33  -8.673   4.395  -7.831
  210    HG   SER  33           HG       SER  33  -8.534   2.523  -9.133
  211    H    VAL  34           H        VAL  34  -8.673   5.825  -5.654
  212    HA   VAL  34           HA       VAL  34  -6.066   6.791  -6.237
  213    HB   VAL  34           HB       VAL  34  -8.176   8.280  -4.663
  214   HG11  VAL  34          1HG1      VAL  34  -5.865   9.098  -6.444
  215   HG12  VAL  34          2HG1      VAL  34  -6.078   9.446  -4.727
  216   HG13  VAL  34          3HG1      VAL  34  -7.122  10.220  -5.919
  217   HG21  VAL  34          3HG2      VAL  34  -8.072   7.509  -7.553
  218   HG22  VAL  34          1HG2      VAL  34  -8.607   9.146  -7.169
  219   HG23  VAL  34          2HG2      VAL  34  -9.467   7.759  -6.507
  220    H    CYS  35           H        CYS  35  -7.810   6.667  -3.112
  221    HA   CYS  35           HA       CYS  35  -5.744   7.619  -1.504
  222    HB2  CYS  35           2HB      CYS  35  -7.941   5.669  -0.777
  223    HB3  CYS  35           1HB      CYS  35  -6.941   6.553   0.376
  224    H    TYR  36           H        TYR  36  -6.361   4.320  -2.624
  225    HA   TYR  36           HA       TYR  36  -4.627   2.943  -0.919
  226    HB2  TYR  36           2HB      TYR  36  -6.222   1.769  -2.327
  227    HB3  TYR  36           1HB      TYR  36  -5.384   2.310  -3.780
  228    HD1  TYR  36           2HD      TYR  36  -4.237   0.806  -0.514
  229    HD2  TYR  36           1HD      TYR  36  -4.266   0.546  -4.803
  230    HE1  TYR  36           2HE      TYR  36  -2.748  -1.171  -0.404
  231    HE2  TYR  36           1HE      TYR  36  -2.777  -1.435  -4.692
  232    HH   TYR  36           HH       TYR  36  -1.058  -2.351  -3.007
  233    H    LYS  37           H        LYS  37  -3.910   4.584  -3.987
  234    HA   LYS  37           HA       LYS  37  -1.190   3.684  -4.086
  235    HB2  LYS  37           2HB      LYS  37  -2.665   4.480  -6.040
  236    HB3  LYS  37           1HB      LYS  37  -2.274   6.114  -5.505
  237    HG2  LYS  37           2HG      LYS  37   0.112   5.665  -5.755
  238    HG3  LYS  37           1HG      LYS  37  -0.217   3.987  -6.175
  239    HD2  LYS  37           2HD      LYS  37  -1.336   4.642  -8.211
  240    HD3  LYS  37           1HD      LYS  37  -1.275   6.343  -7.758
  241    HE2  LYS  37           2HE      LYS  37   1.357   4.977  -7.812
  242    HE3  LYS  37           1HE      LYS  37   0.563   5.134  -9.379
  243    HZ1  LYS  37           3HZ      LYS  37   1.007   7.368  -7.472
  244    HZ2  LYS  37           1HZ      LYS  37   0.327   7.489  -9.021
  245    HZ3  LYS  37           2HZ      LYS  37   1.960   7.054  -8.842
  246    H    GLU  38           H        GLU  38  -2.804   6.709  -3.166
  247    HA   GLU  38           HA       GLU  38  -0.578   8.276  -2.634
  248    HB2  GLU  38           2HB      GLU  38  -3.287   8.280  -1.297
  249    HB3  GLU  38           1HB      GLU  38  -2.075   9.547  -1.086
  250    HG2  GLU  38           2HG      GLU  38  -3.004   8.696  -3.827
  251    HG3  GLU  38           1HG      GLU  38  -3.869   9.925  -2.899
  252    H    HIS  39           H        HIS  39  -2.153   5.916  -0.450
  253    HA   HIS  39           HA       HIS  39  -0.322   6.697   1.690
  254    HB2  HIS  39           2HB      HIS  39  -1.564   5.384   3.182
  255    HB3  HIS  39           1HB      HIS  39  -2.755   6.099   2.104
  256    HD1  HIS  39           1HD      HIS  39  -4.521   4.454   1.575
  257    HD2  HIS  39           2HD      HIS  39  -0.823   2.575   1.954
  258    HE1  HIS  39           1HE      HIS  39  -4.935   1.975   1.272
  259    HE2  HIS  39           2HE      HIS  39  -2.690   0.821   1.479
  260    H    LEU  40           H        LEU  40  -0.639   4.056  -0.594
  261    HA   LEU  40           HA       LEU  40   1.231   2.288   0.620
  262    HB2  LEU  40           2HB      LEU  40  -0.467   1.812  -1.255
  263    HB3  LEU  40           1HB      LEU  40   0.739   2.478  -2.356
  264    HG   LEU  40           HG       LEU  40   1.679   0.413  -0.403
  265   HD11  LEU  40          1HD1      LEU  40   0.918  -1.415  -1.913
  266   HD12  LEU  40          2HD1      LEU  40  -0.017  -0.237  -2.831
  267   HD13  LEU  40          3HD1      LEU  40  -0.431  -0.573  -1.152
  268   HD21  LEU  40          3HD2      LEU  40   2.184   0.509  -3.375
  269   HD22  LEU  40          1HD2      LEU  40   3.238  -0.083  -2.093
  270   HD23  LEU  40          2HD2      LEU  40   2.998   1.649  -2.308
  271    H    GLN  41           H        GLN  41   1.590   5.097  -1.476
  272    HA   GLN  41           HA       GLN  41   4.204   4.724  -2.418
  273    HB2  GLN  41           2HB      GLN  41   2.426   6.522  -2.999
  274    HB3  GLN  41           1HB      GLN  41   3.114   7.421  -1.650
  275    HG2  GLN  41           2HG      GLN  41   4.388   8.211  -3.421
  276    HG3  GLN  41           1HG      GLN  41   5.401   6.892  -2.836
  277   HE21  GLN  41          1HE2      GLN  41   6.262   5.874  -4.653
  278   HE22  GLN  41          2HE2      GLN  41   5.368   5.450  -6.043
  279    H    ARG  42           H        ARG  42   3.030   6.128   0.615
  280    HA   ARG  42           HA       ARG  42   5.721   6.737   1.538
  281    HB2  ARG  42           2HB      ARG  42   3.422   7.984   2.034
  282    HB3  ARG  42           1HB      ARG  42   3.350   6.826   3.362
  283    HG2  ARG  42           2HG      ARG  42   5.706   7.545   3.976
  284    HG3  ARG  42           1HG      ARG  42   5.535   8.846   2.797
  285    HD2  ARG  42           2HD      ARG  42   3.426   8.465   4.904
  286    HD3  ARG  42           1HD      ARG  42   4.927   9.288   5.315
  287    HE   ARG  42           HE       ARG  42   3.990  10.481   2.976
  288   HH11  ARG  42          1HH2      ARG  42   2.797  10.062   6.258
  289   HH12  ARG  42          2HH2      ARG  42   1.970  11.580   6.260
  290   HH21  ARG  42          1HH1      ARG  42   2.899  12.442   3.045
  291   HH22  ARG  42          2HH1      ARG  42   2.028  12.913   4.466
  292    H    GLN  43           H        GLN  43   3.313   4.224   1.920
  293    HA   GLN  43           HA       GLN  43   4.412   2.986   4.261
  294    HB2  GLN  43           2HB      GLN  43   2.059   2.677   3.320
  295    HB3  GLN  43           1HB      GLN  43   2.788   1.627   2.104
  296    HG2  GLN  43           2HG      GLN  43   3.662   0.155   3.839
  297    HG3  GLN  43           1HG      GLN  43   3.055   1.232   5.098
  298   HE21  GLN  43          1HE2      GLN  43   2.125  -1.216   2.744
  299   HE22  GLN  43          2HE2      GLN  43   0.510  -1.349   3.252
  300    H    GLN  44           H        GLN  44   4.710   2.428   0.773
  301    HA   GLN  44           HA       GLN  44   6.427   0.171   0.938
  302    HB2  GLN  44           2HB      GLN  44   5.018   1.000  -1.052
  303    HB3  GLN  44           1HB      GLN  44   6.368   2.087  -1.382
  304    HG2  GLN  44           2HG      GLN  44   7.898   0.122  -1.427
  305    HG3  GLN  44           1HG      GLN  44   6.504  -0.936  -1.202
  306   HE21  GLN  44          1HE2      GLN  44   5.100  -1.295  -3.022
  307   HE22  GLN  44          2HE2      GLN  44   5.461  -0.704  -4.581
  308    H    ASN  45           H        ASN  45   7.056   3.619   1.076
  309    HA   ASN  45           HA       ASN  45   9.785   3.615   0.337
  310    HB2  ASN  45           2HB      ASN  45   8.216   5.619   0.654
  311    HB3  ASN  45           1HB      ASN  45   8.592   5.490   2.370
  312   HD21  ASN  45          1HD2      ASN  45  10.308   5.641  -0.806
  313   HD22  ASN  45          2HD2      ASN  45  11.607   6.578  -0.217
  314    H    SER  46           H        SER  46   8.252   3.371   3.554
  315    HA   SER  46           HA       SER  46  10.867   2.665   4.722
  316    HB2  SER  46           2HB      SER  46   9.570   2.902   6.904
  317    HB3  SER  46           1HB      SER  46   9.802   4.382   5.976
  318    HG   SER  46           HG       SER  46   7.727   4.434   5.532
  319    H    GLY  47           H        GLY  47   7.470   1.632   5.190
  320    HA2  GLY  47           2HA      GLY  47   6.542  -0.492   5.158
  321    HA3  GLY  47           1HA      GLY  47   8.106  -1.134   4.671
  322    H    ARG  48           H        ARG  48   7.545   0.869   7.523
  323    HA   ARG  48           HA       ARG  48   8.428  -1.388   9.216
  324    HB2  ARG  48           2HB      ARG  48   8.401   1.587   9.796
  325    HB3  ARG  48           1HB      ARG  48   9.013   0.332  10.874
  326    HG2  ARG  48           2HG      ARG  48  10.067   0.594   8.062
  327    HG3  ARG  48           1HG      ARG  48  10.721   1.585   9.367
  328    HD2  ARG  48           2HD      ARG  48  11.386  -0.356  10.615
  329    HD3  ARG  48           1HD      ARG  48  10.506  -1.428   9.531
  330    HE   ARG  48           HE       ARG  48  12.487   0.085   8.121
  331   HH11  ARG  48          1HH2      ARG  48  12.080  -2.726  10.198
  332   HH12  ARG  48          2HH2      ARG  48  13.529  -3.480   9.629
  333   HH21  ARG  48          1HH1      ARG  48  14.348  -0.947   7.425
  334   HH22  ARG  48          2HH1      ARG  48  14.798  -2.487   8.079
  335    H    MET  49           H        MET  49   7.410  -1.584  11.353
  336    HA   MET  49           HA       MET  49   4.515  -1.044  11.188
  337    HB2  MET  49           2HB      MET  49   6.082  -2.998  12.889
  338    HB3  MET  49           1HB      MET  49   4.328  -2.809  12.921
  339    HG2  MET  49           2HG      MET  49   4.431  -3.211  10.371
  340    HG3  MET  49           1HG      MET  49   6.063  -3.809  10.663
  341    HE1  MET  49           3HE      MET  49   3.291  -5.981   9.636
  342    HE2  MET  49           1HE      MET  49   4.656  -7.031  10.041
  343    HE3  MET  49           2HE      MET  49   4.939  -5.459   9.297
  344    H    SER  50           H        SER  50   7.356  -0.610  13.244
  345    HA   SER  50           HA       SER  50   5.831   1.355  14.842
  346    HB2  SER  50           2HB      SER  50   7.218   0.575  16.817
  347    HB3  SER  50           1HB      SER  50   5.977  -0.549  16.272
  348    HG   SER  50           HG       SER  50   8.178  -1.407  16.640
  349    HA   PRO  51           HA       PRO  51   9.312   3.984  14.066
  350    HB2  PRO  51           2HB      PRO  51   9.369   5.576  16.288
  351    HB3  PRO  51           1HB      PRO  51   8.129   5.711  15.026
  352    HG2  PRO  51           2HG      PRO  51   7.972   4.433  17.702
  353    HG3  PRO  51           1HG      PRO  51   6.749   5.353  16.811
  354    HD2  PRO  51           2HD      PRO  51   6.786   2.597  16.972
  355    HD3  PRO  51           1HD      PRO  51   6.017   3.507  15.655
  356    H    MET  52           H        MET  52  11.330   3.147  14.052
  357    HA   MET  52           HA       MET  52  12.474   1.917  16.430
  358    HB2  MET  52           2HB      MET  52  12.703   1.196  13.892
  359    HB3  MET  52           1HB      MET  52  14.034   2.353  13.908
  360    HG2  MET  52           2HG      MET  52  13.806   0.281  16.082
  361    HG3  MET  52           1HG      MET  52  14.520  -0.143  14.528
  362    HE1  MET  52           3HE      MET  52  16.640  -0.830  15.811
  363    HE2  MET  52           1HE      MET  52  15.988  -0.295  17.367
  364    HE3  MET  52           2HE      MET  52  17.594   0.220  16.856
  365    H    GLY  53           H        GLY  53  13.024   4.755  14.375
  366    HA2  GLY  53           2HA      GLY  53  13.809   6.840  15.169
  367    HA3  GLY  53           1HA      GLY  53  14.501   6.027  16.568
  368    H    THR  54           H        THR  54  14.905   5.031  13.199
  369    HA   THR  54           HA       THR  54  17.813   5.506  13.459
  370    HB   THR  54           HB       THR  54  16.462   3.726  11.431
  371    HG1  THR  54           1HG      THR  54  16.594   2.100  12.856
  372   HG21  THR  54          3HG2      THR  54  18.795   2.616  11.714
  373   HG22  THR  54          1HG2      THR  54  19.258   4.143  12.464
  374   HG23  THR  54          2HG2      THR  54  18.690   4.118  10.795
  375    H    ALA  55           H        ALA  55  18.945   6.526  11.785
  376    HA   ALA  55           HA       ALA  55  17.485   8.532  10.349
  377    HB1  ALA  55           1HB      ALA  55  19.611   9.309   9.599
  378    HB2  ALA  55           2HB      ALA  55  20.365   7.743   9.899
  379    HB3  ALA  55           3HB      ALA  55  19.852   8.749  11.255
  380    H    SER  56           H        SER  56  18.361   8.815   7.899
  381    HA   SER  56           HA       SER  56  17.045   6.762   6.411
  382    HB2  SER  56           2HB      SER  56  18.879   8.871   5.271
  383    HB3  SER  56           1HB      SER  56  17.529   8.067   4.478
  384    HG   SER  56           HG       SER  56  17.033  10.191   5.270
  385    H    GLY  57           H        GLY  57  20.447   7.652   6.909
  386    HA2  GLY  57           2HA      GLY  57  22.138   5.934   7.066
  387    HA3  GLY  57           1HA      GLY  57  21.232   4.987   5.891
  388    H    SER  58           H        SER  58  23.173   7.926   6.303
  389    HA   SER  58           HA       SER  58  23.919   7.765   3.438
  390    HB2  SER  58           2HB      SER  58  24.213  10.258   3.558
  391    HB3  SER  58           1HB      SER  58  22.544   9.723   3.722
  392    HG   SER  58           HG       SER  58  23.477  11.320   5.307
  393    H    ASN  59           H        ASN  59  25.236   6.490   5.705
  394    HA   ASN  59           HA       ASN  59  27.663   8.075   6.122
  395    HB2  ASN  59           2HB      ASN  59  28.320   6.205   7.637
  396    HB3  ASN  59           1HB      ASN  59  26.793   6.958   8.084
  397   HD21  ASN  59          1HD2      ASN  59  28.293   3.969   7.145
  398   HD22  ASN  59          2HD2      ASN  59  26.876   3.036   7.096
  399    H    SER  60           H        SER  60  29.540   7.745   5.087
  400    HA   SER  60           HA       SER  60  29.626   5.705   2.992
  401    HB2  SER  60           2HB      SER  60  31.666   7.847   3.607
  402    HB3  SER  60           1HB      SER  60  31.507   6.920   2.119
  403    HG   SER  60           HG       SER  60  30.451   9.205   2.556
  404    HA   PRO  61           HA       PRO  61  32.417   3.114   5.272
  405    HB2  PRO  61           2HB      PRO  61  33.788   1.841   3.317
  406    HB3  PRO  61           1HB      PRO  61  32.055   1.567   3.582
  407    HG2  PRO  61           2HG      PRO  61  33.414   3.218   1.517
  408    HG3  PRO  61           1HG      PRO  61  31.976   2.195   1.378
  409    HD2  PRO  61           2HD      PRO  61  31.913   4.958   1.663
  410    HD3  PRO  61           1HD      PRO  61  30.566   3.872   2.070
  411    H    THR  62           H        THR  62  34.372   3.282   6.287
  412    HA   THR  62           HA       THR  62  36.726   4.298   4.977
  413    HB   THR  62           HB       THR  62  35.641   6.429   5.374
  414    HG1  THR  62           1HG      THR  62  37.581   6.012   7.403
  415   HG21  THR  62          3HG2      THR  62  34.040   6.035   7.059
  416   HG22  THR  62          1HG2      THR  62  35.235   7.053   7.861
  417   HG23  THR  62          2HG2      THR  62  35.226   5.312   8.145
  Start of MODEL   14
    1    H1   GLY   1           1HT      GLY   1 -27.002 -17.360 -13.155
    2    H2   GLY   1           2HT      GLY   1 -26.181 -15.916 -12.796
    3    H3   GLY   1           3HT      GLY   1 -27.740 -15.867 -13.469
    4    HA2  GLY   1           2HA      GLY   1 -28.737 -16.690 -11.507
    5    HA3  GLY   1           1HA      GLY   1 -27.157 -17.076 -10.826
    6    H    SER   2           H        SER   2 -29.293 -14.433 -11.804
    7    HA   SER   2           HA       SER   2 -27.979 -12.693  -9.819
    8    HB2  SER   2           2HB      SER   2 -28.837 -11.666 -12.524
    9    HB3  SER   2           1HB      SER   2 -27.870 -10.843 -11.303
   10    HG   SER   2           HG       SER   2 -26.695 -11.817 -13.114
   11    H    MET   3           H        MET   3 -29.370 -11.544  -8.588
   12    HA   MET   3           HA       MET   3 -32.147 -11.183  -9.475
   13    HB2  MET   3           2HB      MET   3 -31.260 -12.708  -7.037
   14    HB3  MET   3           1HB      MET   3 -32.823 -11.892  -7.078
   15    HG2  MET   3           2HG      MET   3 -33.391 -13.127  -9.158
   16    HG3  MET   3           1HG      MET   3 -31.851 -13.983  -9.048
   17    HE1  MET   3           3HE      MET   3 -32.015 -16.177  -6.051
   18    HE2  MET   3           1HE      MET   3 -31.047 -14.942  -6.870
   19    HE3  MET   3           2HE      MET   3 -31.671 -16.320  -7.772
   20    H    ALA   4           H        ALA   4 -32.725  -9.133  -9.135
   21    HA   ALA   4           HA       ALA   4 -31.514  -7.660  -6.868
   22    HB1  ALA   4           1HB      ALA   4 -30.566  -7.002  -9.107
   23    HB2  ALA   4           2HB      ALA   4 -31.341  -5.685  -8.229
   24    HB3  ALA   4           3HB      ALA   4 -32.181  -6.467  -9.567
   25    H    GLN   5           H        GLN   5 -34.055  -9.093  -6.964
   26    HA   GLN   5           HA       GLN   5 -36.147  -7.114  -7.247
   27    HB2  GLN   5           2HB      GLN   5 -36.362  -9.646  -7.642
   28    HB3  GLN   5           1HB      GLN   5 -36.417  -9.789  -5.883
   29    HG2  GLN   5           2HG      GLN   5 -38.690  -9.621  -6.547
   30    HG3  GLN   5           1HG      GLN   5 -38.269  -8.013  -5.959
   31   HE21  GLN   5          1HE2      GLN   5 -38.187  -6.274  -7.492
   32   HE22  GLN   5          2HE2      GLN   5 -38.687  -6.464  -9.113
   33    H    GLU   6           H        GLU   6 -34.982  -9.079  -4.487
   34    HA   GLU   6           HA       GLU   6 -35.955  -6.984  -2.645
   35    HB2  GLU   6           2HB      GLU   6 -35.261  -9.899  -2.227
   36    HB3  GLU   6           1HB      GLU   6 -35.635  -8.788  -0.910
   37    HG2  GLU   6           2HG      GLU   6 -37.847  -8.365  -1.828
   38    HG3  GLU   6           1HG      GLU   6 -37.478  -9.339  -3.252
   39    H    THR   7           H        THR   7 -34.413  -5.536  -2.147
   40    HA   THR   7           HA       THR   7 -31.599  -6.297  -2.137
   41    HB   THR   7           HB       THR   7 -32.683  -3.607  -1.328
   42    HG1  THR   7           1HG      THR   7 -32.200  -4.567  -3.956
   43   HG21  THR   7          3HG2      THR   7 -30.253  -4.184  -1.066
   44   HG22  THR   7          1HG2      THR   7 -30.546  -2.835  -2.164
   45   HG23  THR   7          2HG2      THR   7 -30.174  -4.433  -2.811
   46    H    ASN   8           H        ASN   8 -30.647  -7.098  -0.382
   47    HA   ASN   8           HA       ASN   8 -31.905  -6.798   2.237
   48    HB2  ASN   8           2HB      ASN   8 -30.980  -8.995   1.284
   49    HB3  ASN   8           1HB      ASN   8 -29.385  -8.332   1.628
   50   HD21  ASN   8          1HD2      ASN   8 -32.530  -8.385   3.425
   51   HD22  ASN   8          2HD2      ASN   8 -31.840  -8.946   4.880
   52    H    GLN   9           H        GLN   9 -28.644  -6.342   0.831
   53    HA   GLN   9           HA       GLN   9 -27.877  -4.686   3.113
   54    HB2  GLN   9           2HB      GLN   9 -25.636  -4.660   2.022
   55    HB3  GLN   9           1HB      GLN   9 -26.229  -6.290   2.332
   56    HG2  GLN   9           2HG      GLN   9 -26.686  -6.693   0.065
   57    HG3  GLN   9           1HG      GLN   9 -26.747  -4.976  -0.326
   58   HE21  GLN   9          1HE2      GLN   9 -24.895  -4.171  -1.315
   59   HE22  GLN   9          2HE2      GLN   9 -23.347  -4.878  -1.204
   60    H    THR  10           H        THR  10 -27.102  -2.529   2.898
   61    HA   THR  10           HA       THR  10 -28.493  -1.025   0.806
   62    HB   THR  10           HB       THR  10 -27.584   0.937   2.270
   63    HG1  THR  10           1HG      THR  10 -26.246   0.087   3.679
   64   HG21  THR  10          3HG2      THR  10 -29.654  -1.057   3.221
   65   HG22  THR  10          1HG2      THR  10 -29.931   0.357   2.204
   66   HG23  THR  10          2HG2      THR  10 -29.465   0.561   3.893
   67    HA   PRO  11           HA       PRO  11 -24.781  -0.114  -1.447
   68    HB2  PRO  11           2HB      PRO  11 -25.282   2.326  -2.510
   69    HB3  PRO  11           1HB      PRO  11 -26.169   0.875  -3.014
   70    HG2  PRO  11           2HG      PRO  11 -26.994   3.038  -1.135
   71    HG3  PRO  11           1HG      PRO  11 -27.937   2.210  -2.388
   72    HD2  PRO  11           2HD      PRO  11 -28.088   1.575   0.286
   73    HD3  PRO  11           1HD      PRO  11 -28.431   0.418  -1.020
   74    H    GLY  12           H        GLY  12 -22.860   1.221  -1.554
   75    HA2  GLY  12           2HA      GLY  12 -21.184   2.546  -0.715
   76    HA3  GLY  12           1HA      GLY  12 -22.433   3.522   0.055
   77    HA   PRO  13           HA       PRO  13 -21.720   0.399   3.525
   78    HB2  PRO  13           2HB      PRO  13 -20.512  -2.021   3.089
   79    HB3  PRO  13           1HB      PRO  13 -22.253  -1.734   2.904
   80    HG2  PRO  13           2HG      PRO  13 -20.136  -1.935   0.826
   81    HG3  PRO  13           1HG      PRO  13 -21.818  -2.493   0.795
   82    HD2  PRO  13           2HD      PRO  13 -20.941  -0.188  -0.441
   83    HD3  PRO  13           1HD      PRO  13 -22.616  -0.471   0.087
   84    H    MET  14           H        MET  14 -18.823  -1.134   2.093
   85    HA   MET  14           HA       MET  14 -17.152  -0.088   4.142
   86    HB2  MET  14           2HB      MET  14 -16.816  -1.871   1.785
   87    HB3  MET  14           1HB      MET  14 -15.360  -1.104   2.417
   88    HG2  MET  14           2HG      MET  14 -16.268  -1.922   4.742
   89    HG3  MET  14           1HG      MET  14 -17.226  -3.039   3.773
   90    HE1  MET  14           3HE      MET  14 -14.153  -2.211   5.469
   91    HE2  MET  14           1HE      MET  14 -13.172  -3.671   5.271
   92    HE3  MET  14           2HE      MET  14 -14.782  -3.777   5.976
   93    H    LEU  15           H        LEU  15 -17.542   2.204   3.822
   94    HA   LEU  15           HA       LEU  15 -16.584   3.571   1.490
   95    HB2  LEU  15           2HB      LEU  15 -17.741   4.294   4.113
   96    HB3  LEU  15           1HB      LEU  15 -16.606   5.478   3.475
   97    HG   LEU  15           HG       LEU  15 -19.056   5.808   2.836
   98   HD11  LEU  15          1HD1      LEU  15 -16.935   6.670   1.623
   99   HD12  LEU  15          2HD1      LEU  15 -18.476   6.747   0.771
  100   HD13  LEU  15          3HD1      LEU  15 -17.326   5.463   0.398
  101   HD21  LEU  15          3HD2      LEU  15 -18.629   3.742   0.695
  102   HD22  LEU  15          1HD2      LEU  15 -20.139   4.398   1.329
  103   HD23  LEU  15          2HD2      LEU  15 -19.222   3.223   2.273
  104    H    CYS  16           H        CYS  16 -14.697   4.788   1.240
  105    HA   CYS  16           HA       CYS  16 -12.276   3.714   1.818
  106    HB2  CYS  16           2HB      CYS  16 -12.808   5.684   0.309
  107    HB3  CYS  16           1HB      CYS  16 -12.659   6.704   1.741
  108    H    SER  17           H        SER  17 -10.726   3.752   3.345
  109    HA   SER  17           HA       SER  17 -11.438   4.118   6.053
  110    HB2  SER  17           2HB      SER  17  -8.713   3.838   4.771
  111    HB3  SER  17           1HB      SER  17  -9.023   3.740   6.508
  112    HG   SER  17           HG       SER  17  -9.004   1.685   5.383
  113    H    THR  18           H        THR  18  -9.926   6.282   3.737
  114    HA   THR  18           HA       THR  18  -9.147   8.174   5.814
  115    HB   THR  18           HB       THR  18  -8.058   9.438   4.134
  116    HG1  THR  18           1HG      THR  18  -9.718   8.022   2.345
  117   HG21  THR  18          3HG2      THR  18  -7.796   6.593   3.139
  118   HG22  THR  18          1HG2      THR  18  -7.104   7.135   4.669
  119   HG23  THR  18          2HG2      THR  18  -6.563   7.854   3.155
  120    H    GLY  19           H        GLY  19 -12.052   7.543   4.244
  121    HA2  GLY  19           2HA      GLY  19 -14.053   8.650   4.289
  122    HA3  GLY  19           1HA      GLY  19 -13.286   9.885   5.276
  123    H    CYS  20           H        CYS  20 -12.358   8.915   1.979
  124    HA   CYS  20           HA       CYS  20 -12.453  11.678   1.142
  125    HB2  CYS  20           2HB      CYS  20 -11.565  10.889  -0.985
  126    HB3  CYS  20           1HB      CYS  20 -10.665  10.179   0.357
  127    H    GLY  21           H        GLY  21 -14.726   9.080   1.108
  128    HA2  GLY  21           2HA      GLY  21 -17.039   9.554   0.679
  129    HA3  GLY  21           1HA      GLY  21 -16.544  10.708  -0.555
  130    H    PHE  22           H        PHE  22 -14.620   7.997  -0.983
  131    HA   PHE  22           HA       PHE  22 -16.410   6.937  -3.061
  132    HB2  PHE  22           2HB      PHE  22 -13.407   7.079  -2.805
  133    HB3  PHE  22           1HB      PHE  22 -14.203   6.020  -3.980
  134    HD1  PHE  22           1HD      PHE  22 -15.603   6.972  -5.786
  135    HD2  PHE  22           2HD      PHE  22 -13.379   9.477  -3.096
  136    HE1  PHE  22           1HE      PHE  22 -15.882   8.886  -7.336
  137    HE2  PHE  22           2HE      PHE  22 -13.665  11.395  -4.645
  138    HZ   PHE  22           HZ       PHE  22 -14.917  11.095  -6.762
  139    H    TYR  23           H        TYR  23 -16.395   4.639  -3.440
  140    HA   TYR  23           HA       TYR  23 -16.605   3.082  -1.082
  141    HB2  TYR  23           2HB      TYR  23 -17.799   2.688  -3.303
  142    HB3  TYR  23           1HB      TYR  23 -16.289   1.964  -3.874
  143    HD1  TYR  23           1HD      TYR  23 -18.466   1.841  -0.817
  144    HD2  TYR  23           2HD      TYR  23 -16.110  -0.354  -3.655
  145    HE1  TYR  23           1HE      TYR  23 -19.047  -0.268   0.328
  146    HE2  TYR  23           2HE      TYR  23 -16.698  -2.473  -2.503
  147    HH   TYR  23           HH       TYR  23 -18.977  -3.081  -0.836
  148    H    GLY  24           H        GLY  24 -15.342   1.444  -0.251
  149    HA2  GLY  24           2HA      GLY  24 -12.499   1.447  -1.109
  150    HA3  GLY  24           1HA      GLY  24 -13.059   1.103   0.531
  151    H    ASN  25           H        ASN  25 -11.360  -0.664  -0.827
  152    HA   ASN  25           HA       ASN  25 -13.142  -2.927  -1.534
  153    HB2  ASN  25           2HB      ASN  25 -11.224  -1.904  -3.105
  154    HB3  ASN  25           1HB      ASN  25 -10.219  -2.992  -2.158
  155   HD21  ASN  25          1HD2      ASN  25 -12.478  -2.833  -4.766
  156   HD22  ASN  25          2HD2      ASN  25 -12.631  -4.513  -5.012
  157    HA   PRO  26           HA       PRO  26 -11.509  -4.710   2.260
  158    HB2  PRO  26           2HB      PRO  26 -12.548  -7.207   2.096
  159    HB3  PRO  26           1HB      PRO  26 -13.517  -5.769   2.471
  160    HG2  PRO  26           2HG      PRO  26 -13.290  -7.281  -0.075
  161    HG3  PRO  26           1HG      PRO  26 -14.699  -6.492   0.651
  162    HD2  PRO  26           2HD      PRO  26 -13.156  -5.409  -1.399
  163    HD3  PRO  26           1HD      PRO  26 -14.223  -4.475  -0.332
  164    H    ARG  27           H        ARG  27 -10.871  -6.053  -0.906
  165    HA   ARG  27           HA       ARG  27  -8.886  -7.965  -0.065
  166    HB2  ARG  27           2HB      ARG  27  -9.645  -6.755  -2.726
  167    HB3  ARG  27           1HB      ARG  27  -8.285  -7.862  -2.554
  168    HG2  ARG  27           2HG      ARG  27  -9.651  -9.663  -1.957
  169    HG3  ARG  27           1HG      ARG  27 -10.964  -8.616  -1.421
  170    HD2  ARG  27           2HD      ARG  27 -11.591  -9.639  -3.533
  171    HD3  ARG  27           1HD      ARG  27 -11.320  -7.916  -3.791
  172    HE   ARG  27           HE       ARG  27  -8.926  -9.394  -4.273
  173   HH11  ARG  27          1HH2      ARG  27 -12.046  -8.659  -5.724
  174   HH12  ARG  27          2HH2      ARG  27 -11.462  -8.890  -7.335
  175   HH21  ARG  27          1HH1      ARG  27  -8.236  -9.676  -6.394
  176   HH22  ARG  27          2HH1      ARG  27  -9.342  -9.467  -7.709
  177    H    THR  28           H        THR  28  -8.969  -4.592  -1.045
  178    HA   THR  28           HA       THR  28  -6.072  -4.316  -1.111
  179    HB   THR  28           HB       THR  28  -6.528  -1.971  -1.618
  180    HG1  THR  28           1HG      THR  28  -8.222  -1.133  -0.755
  181   HG21  THR  28          3HG2      THR  28  -8.317  -3.962  -3.024
  182   HG22  THR  28          1HG2      THR  28  -6.777  -3.299  -3.569
  183   HG23  THR  28          2HG2      THR  28  -8.216  -2.279  -3.537
  184    H    ASN  29           H        ASN  29  -6.038  -1.700   0.332
  185    HA   ASN  29           HA       ASN  29  -5.972  -2.791   3.040
  186    HB2  ASN  29           2HB      ASN  29  -4.822  -0.395   1.669
  187    HB3  ASN  29           1HB      ASN  29  -5.048  -0.328   3.418
  188   HD21  ASN  29          1HD2      ASN  29  -4.300  -2.699   4.417
  189   HD22  ASN  29          2HD2      ASN  29  -2.727  -3.141   3.922
  190    H    GLY  30           H        GLY  30  -8.618  -2.086   1.649
  191    HA2  GLY  30           2HA      GLY  30 -10.656  -1.385   2.510
  192    HA3  GLY  30           1HA      GLY  30  -9.807  -0.749   3.919
  193    H    MET  31           H        MET  31  -8.538   0.246   0.846
  194    HA   MET  31           HA       MET  31  -9.877   2.871   1.110
  195    HB2  MET  31           2HB      MET  31  -7.023   2.175   0.416
  196    HB3  MET  31           1HB      MET  31  -7.731   3.748   0.027
  197    HG2  MET  31           2HG      MET  31  -8.113   4.260   2.318
  198    HG3  MET  31           1HG      MET  31  -7.849   2.588   2.814
  199    HE1  MET  31           3HE      MET  31  -5.840   1.913   3.954
  200    HE2  MET  31           1HE      MET  31  -6.293   3.454   4.696
  201    HE3  MET  31           2HE      MET  31  -4.599   3.096   4.364
  202    H    CYS  32           H        CYS  32 -10.220   4.034  -0.847
  203    HA   CYS  32           HA       CYS  32 -11.196   2.464  -2.983
  204    HB2  CYS  32           2HB      CYS  32 -11.779   4.598  -4.022
  205    HB3  CYS  32           1HB      CYS  32 -12.161   4.659  -2.304
  206    H    SER  33           H        SER  33 -10.382   3.909  -5.285
  207    HA   SER  33           HA       SER  33  -7.946   2.524  -5.878
  208    HB2  SER  33           2HB      SER  33 -10.048   3.419  -7.376
  209    HB3  SER  33           1HB      SER  33  -8.810   4.600  -7.789
  210    HG   SER  33           HG       SER  33  -8.947   2.465  -8.975
  211    H    VAL  34           H        VAL  34  -8.765   5.981  -5.642
  212    HA   VAL  34           HA       VAL  34  -6.211   6.996  -6.282
  213    HB   VAL  34           HB       VAL  34  -8.242   8.323  -4.472
  214   HG11  VAL  34          1HG1      VAL  34  -7.288  10.395  -5.451
  215   HG12  VAL  34          2HG1      VAL  34  -6.129   9.419  -6.355
  216   HG13  VAL  34          3HG1      VAL  34  -6.067   9.451  -4.593
  217   HG21  VAL  34          3HG2      VAL  34  -9.657   8.113  -6.245
  218   HG22  VAL  34          1HG2      VAL  34  -8.366   7.635  -7.345
  219   HG23  VAL  34          2HG2      VAL  34  -8.661   9.343  -7.016
  220    H    CYS  35           H        CYS  35  -7.697   6.696  -3.055
  221    HA   CYS  35           HA       CYS  35  -5.473   7.508  -1.573
  222    HB2  CYS  35           2HB      CYS  35  -7.733   5.665  -0.762
  223    HB3  CYS  35           1HB      CYS  35  -6.599   6.431   0.351
  224    H    TYR  36           H        TYR  36  -6.311   4.309  -2.813
  225    HA   TYR  36           HA       TYR  36  -4.515   2.836  -1.196
  226    HB2  TYR  36           2HB      TYR  36  -6.407   1.864  -2.516
  227    HB3  TYR  36           1HB      TYR  36  -5.434   2.071  -3.972
  228    HD1  TYR  36           1HD      TYR  36  -4.942   0.797  -0.466
  229    HD2  TYR  36           2HD      TYR  36  -4.295   0.159  -4.666
  230    HE1  TYR  36           1HE      TYR  36  -3.788  -1.331   0.032
  231    HE2  TYR  36           2HE      TYR  36  -3.131  -1.975  -4.158
  232    HH   TYR  36           HH       TYR  36  -3.331  -3.697  -1.957
  233    H    LYS  37           H        LYS  37  -3.997   4.545  -4.299
  234    HA   LYS  37           HA       LYS  37  -1.410   3.358  -4.694
  235    HB2  LYS  37           2HB      LYS  37  -2.979   4.328  -6.490
  236    HB3  LYS  37           1HB      LYS  37  -2.377   5.906  -5.977
  237    HG2  LYS  37           2HG      LYS  37  -0.046   5.072  -6.337
  238    HG3  LYS  37           1HG      LYS  37  -0.719   3.583  -6.998
  239    HD2  LYS  37           2HD      LYS  37  -1.573   4.659  -8.894
  240    HD3  LYS  37           1HD      LYS  37  -1.577   6.242  -8.115
  241    HE2  LYS  37           2HE      LYS  37   1.002   5.959  -8.009
  242    HE3  LYS  37           1HE      LYS  37   0.766   4.702  -9.223
  243    HZ1  LYS  37           3HZ      LYS  37  -0.216   6.251 -10.695
  244    HZ2  LYS  37           1HZ      LYS  37   1.202   6.979 -10.115
  245    HZ3  LYS  37           2HZ      LYS  37  -0.307   7.452  -9.497
  246    H    GLU  38           H        GLU  38  -2.587   6.558  -3.636
  247    HA   GLU  38           HA       GLU  38  -0.019   7.690  -3.239
  248    HB2  GLU  38           2HB      GLU  38  -2.692   8.391  -2.010
  249    HB3  GLU  38           1HB      GLU  38  -1.237   9.384  -1.887
  250    HG2  GLU  38           2HG      GLU  38  -2.230   8.493  -4.582
  251    HG3  GLU  38           1HG      GLU  38  -2.955   9.896  -3.787
  252    H    HIS  39           H        HIS  39  -2.269   6.062  -1.008
  253    HA   HIS  39           HA       HIS  39  -0.889   6.502   1.386
  254    HB2  HIS  39           2HB      HIS  39  -3.204   5.640   1.215
  255    HB3  HIS  39           1HB      HIS  39  -2.580   4.110   0.595
  256    HD1  HIS  39           1HD      HIS  39  -2.325   6.285   3.725
  257    HD2  HIS  39           2HD      HIS  39  -1.892   2.304   2.568
  258    HE1  HIS  39           1HE      HIS  39  -1.963   4.955   5.846
  259    HE2  HIS  39           2HE      HIS  39  -1.691   2.529   5.163
  260    H    LEU  40           H        LEU  40  -0.659   3.690  -0.823
  261    HA   LEU  40           HA       LEU  40   1.250   2.294   0.709
  262    HB2  LEU  40           2HB      LEU  40   0.203   2.098  -2.066
  263    HB3  LEU  40           1HB      LEU  40   1.756   1.323  -1.761
  264    HG   LEU  40           HG       LEU  40  -0.121  -0.254  -1.426
  265   HD11  LEU  40          1HD1      LEU  40   1.020   0.382   1.294
  266   HD12  LEU  40          2HD1      LEU  40   2.017  -0.283   0.000
  267   HD13  LEU  40          3HD1      LEU  40   0.634  -1.195   0.605
  268   HD21  LEU  40          3HD2      LEU  40  -1.911   1.189  -0.735
  269   HD22  LEU  40          1HD2      LEU  40  -0.995   1.770   0.653
  270   HD23  LEU  40          2HD2      LEU  40  -1.585   0.110   0.620
  271    H    GLN  41           H        GLN  41   1.642   4.892  -1.631
  272    HA   GLN  41           HA       GLN  41   4.350   4.568  -2.276
  273    HB2  GLN  41           2HB      GLN  41   2.757   6.196  -3.339
  274    HB3  GLN  41           1HB      GLN  41   2.922   7.213  -1.910
  275    HG2  GLN  41           2HG      GLN  41   5.377   7.317  -2.291
  276    HG3  GLN  41           1HG      GLN  41   5.173   6.348  -3.752
  277   HE21  GLN  41          1HE2      GLN  41   4.191   9.474  -2.280
  278   HE22  GLN  41          2HE2      GLN  41   3.957  10.271  -3.770
  279    H    ARG  42           H        ARG  42   2.844   6.174   0.520
  280    HA   ARG  42           HA       ARG  42   5.414   6.986   1.596
  281    HB2  ARG  42           2HB      ARG  42   4.108   7.847   3.502
  282    HB3  ARG  42           1HB      ARG  42   3.466   8.421   1.967
  283    HG2  ARG  42           2HG      ARG  42   1.600   6.974   2.072
  284    HG3  ARG  42           1HG      ARG  42   2.346   5.950   3.294
  285    HD2  ARG  42           2HD      ARG  42   0.923   7.164   4.640
  286    HD3  ARG  42           1HD      ARG  42   2.336   8.214   4.695
  287    HE   ARG  42           HE       ARG  42   0.889   9.081   2.513
  288   HH11  ARG  42          1HH2      ARG  42   0.216   8.701   5.950
  289   HH12  ARG  42          2HH2      ARG  42  -0.950   9.977   5.960
  290   HH21  ARG  42          1HH1      ARG  42  -0.642  10.700   2.591
  291   HH22  ARG  42          2HH1      ARG  42  -1.437  11.094   4.077
  292    H    GLN  43           H        GLN  43   3.133   4.352   2.030
  293    HA   GLN  43           HA       GLN  43   4.181   3.361   4.486
  294    HB2  GLN  43           2HB      GLN  43   1.904   2.873   3.416
  295    HB3  GLN  43           1HB      GLN  43   2.759   1.712   2.401
  296    HG2  GLN  43           2HG      GLN  43   2.143   0.350   4.178
  297    HG3  GLN  43           1HG      GLN  43   3.739   0.879   4.711
  298   HE21  GLN  43          1HE2      GLN  43   0.803   0.361   6.000
  299   HE22  GLN  43          2HE2      GLN  43   0.730   1.619   7.140
  300    H    GLN  44           H        GLN  44   4.592   2.250   1.107
  301    HA   GLN  44           HA       GLN  44   6.378   0.151   1.613
  302    HB2  GLN  44           2HB      GLN  44   6.136   1.923  -0.829
  303    HB3  GLN  44           1HB      GLN  44   7.061   0.422  -0.770
  304    HG2  GLN  44           2HG      GLN  44   5.120  -0.890  -0.417
  305    HG3  GLN  44           1HG      GLN  44   4.147   0.519   0.003
  306   HE21  GLN  44          1HE2      GLN  44   4.021  -1.606  -2.292
  307   HE22  GLN  44          2HE2      GLN  44   3.819  -0.646  -3.688
  308    H    ASN  45           H        ASN  45   6.981   3.601   1.229
  309    HA   ASN  45           HA       ASN  45   9.803   3.466   0.949
  310    HB2  ASN  45           2HB      ASN  45   8.267   5.451   0.477
  311    HB3  ASN  45           1HB      ASN  45   8.293   5.750   2.213
  312   HD21  ASN  45          1HD2      ASN  45  10.377   6.379   3.191
  313   HD22  ASN  45          2HD2      ASN  45  11.657   6.945   2.215
  314    H    SER  46           H        SER  46   7.816   4.264   3.826
  315    HA   SER  46           HA       SER  46  10.032   3.272   5.529
  316    HB2  SER  46           2HB      SER  46   8.245   5.674   5.941
  317    HB3  SER  46           1HB      SER  46   9.215   4.962   7.226
  318    HG   SER  46           HG       SER  46  10.078   6.758   5.743
  319    H    GLY  47           H        GLY  47   6.605   4.246   5.885
  320    HA2  GLY  47           2HA      GLY  47   4.778   3.074   6.673
  321    HA3  GLY  47           1HA      GLY  47   5.734   1.601   6.564
  322    H    ARG  48           H        ARG  48   6.702   4.457   8.398
  323    HA   ARG  48           HA       ARG  48   6.120   3.036  10.926
  324    HB2  ARG  48           2HB      ARG  48   8.565   2.872  10.147
  325    HB3  ARG  48           1HB      ARG  48   8.664   4.595  10.507
  326    HG2  ARG  48           2HG      ARG  48   7.997   4.199  12.816
  327    HG3  ARG  48           1HG      ARG  48   7.742   2.486  12.481
  328    HD2  ARG  48           2HD      ARG  48  10.081   2.131  12.076
  329    HD3  ARG  48           1HD      ARG  48  10.406   3.861  12.076
  330    HE   ARG  48           HE       ARG  48   9.336   3.326  14.567
  331   HH11  ARG  48          1HH2      ARG  48  12.112   2.167  12.742
  332   HH12  ARG  48          2HH2      ARG  48  13.045   1.861  14.164
  333   HH21  ARG  48          1HH1      ARG  48  10.601   2.913  16.372
  334   HH22  ARG  48          2HH1      ARG  48  12.203   2.278  16.196
  335    H    MET  49           H        MET  49   7.541   6.155   9.865
  336    HA   MET  49           HA       MET  49   5.566   7.533  11.597
  337    HB2  MET  49           2HB      MET  49   8.470   8.181  11.074
  338    HB3  MET  49           1HB      MET  49   7.346   9.320  11.811
  339    HG2  MET  49           2HG      MET  49   6.969   7.879  13.685
  340    HG3  MET  49           1HG      MET  49   7.783   6.528  12.893
  341    HE1  MET  49           3HE      MET  49   9.769   5.937  12.876
  342    HE2  MET  49           1HE      MET  49  11.186   6.596  13.702
  343    HE3  MET  49           2HE      MET  49  10.778   7.140  12.076
  344    H    SER  50           H        SER  50   7.834   8.244   8.912
  345    HA   SER  50           HA       SER  50   5.668   9.294   7.291
  346    HB2  SER  50           2HB      SER  50   7.049  11.498   7.036
  347    HB3  SER  50           1HB      SER  50   5.960  11.315   8.407
  348    HG   SER  50           HG       SER  50   8.764  10.854   8.347
  349    HA   PRO  51           HA       PRO  51   8.472   8.042   4.094
  350    HB2  PRO  51           2HB      PRO  51   7.720   9.579   1.980
  351    HB3  PRO  51           1HB      PRO  51   6.707   8.275   2.628
  352    HG2  PRO  51           2HG      PRO  51   6.486  11.211   3.012
  353    HG3  PRO  51           1HG      PRO  51   5.213   9.994   2.825
  354    HD2  PRO  51           2HD      PRO  51   5.989  11.071   5.257
  355    HD3  PRO  51           1HD      PRO  51   5.180   9.501   5.066
  356    H    MET  52           H        MET  52   8.162  11.614   4.115
  357    HA   MET  52           HA       MET  52  10.960  11.884   3.287
  358    HB2  MET  52           2HB      MET  52   8.626  13.765   3.480
  359    HB3  MET  52           1HB      MET  52  10.269  14.395   3.384
  360    HG2  MET  52           2HG      MET  52   9.622  14.268   1.124
  361    HG3  MET  52           1HG      MET  52  10.533  12.776   1.362
  362    HE1  MET  52           3HE      MET  52   9.278  12.764  -0.920
  363    HE2  MET  52           1HE      MET  52   7.845  11.749  -1.126
  364    HE3  MET  52           2HE      MET  52   9.335  11.059  -0.485
  365    H    GLY  53           H        GLY  53   8.820  12.825   5.974
  366    HA2  GLY  53           2HA      GLY  53   9.517  12.770   8.259
  367    HA3  GLY  53           1HA      GLY  53  11.183  12.991   7.729
  368    H    THR  54           H        THR  54  11.350  15.151   6.303
  369    HA   THR  54           HA       THR  54  10.469  17.294   8.092
  370    HB   THR  54           HB       THR  54  12.034  18.674   6.647
  371    HG1  THR  54           1HG      THR  54  12.284  17.579   4.820
  372   HG21  THR  54          3HG2      THR  54  12.651  17.609   8.834
  373   HG22  THR  54          1HG2      THR  54  14.013  17.798   7.731
  374   HG23  THR  54          2HG2      THR  54  13.254  16.219   7.931
  375    H    ALA  55           H        ALA  55   9.977  19.446   6.881
  376    HA   ALA  55           HA       ALA  55   7.614  18.989   5.298
  377    HB1  ALA  55           1HB      ALA  55   8.985  21.619   5.903
  378    HB2  ALA  55           2HB      ALA  55   7.838  20.833   6.986
  379    HB3  ALA  55           3HB      ALA  55   7.312  21.383   5.395
  380    H    SER  56           H        SER  56   7.448  18.940   3.142
  381    HA   SER  56           HA       SER  56   9.365  20.363   1.464
  382    HB2  SER  56           2HB      SER  56   8.952  17.379   1.178
  383    HB3  SER  56           1HB      SER  56   9.963  18.400   0.159
  384    HG   SER  56           HG       SER  56  10.935  17.176   2.033
  385    H    GLY  57           H        GLY  57   8.752  19.774  -0.966
  386    HA2  GLY  57           2HA      GLY  57   7.026  19.334  -2.548
  387    HA3  GLY  57           1HA      GLY  57   5.838  19.481  -1.258
  388    H    SER  58           H        SER  58   8.483  21.601  -2.403
  389    HA   SER  58           HA       SER  58   6.545  23.633  -3.204
  390    HB2  SER  58           2HB      SER  58   7.641  25.373  -1.821
  391    HB3  SER  58           1HB      SER  58   6.875  24.128  -0.840
  392    HG   SER  58           HG       SER  58   9.059  24.700  -0.213
  393    H    ASN  59           H        ASN  59   8.434  21.980  -4.643
  394    HA   ASN  59           HA       ASN  59  10.463  23.945  -5.518
  395    HB2  ASN  59           2HB      ASN  59  10.292  20.956  -5.974
  396    HB3  ASN  59           1HB      ASN  59  11.569  22.007  -6.585
  397   HD21  ASN  59          1HD2      ASN  59  13.221  22.672  -5.114
  398   HD22  ASN  59          2HD2      ASN  59  13.283  22.148  -3.500
  399    H    SER  60           H        SER  60  10.307  24.871  -7.471
  400    HA   SER  60           HA       SER  60   8.021  24.236  -9.156
  401    HB2  SER  60           2HB      SER  60   8.671  26.591  -8.643
  402    HB3  SER  60           1HB      SER  60  10.173  26.336  -9.528
  403    HG   SER  60           HG       SER  60   8.383  27.273 -10.749
  404    HA   PRO  61           HA       PRO  61  10.093  21.605 -12.062
  405    HB2  PRO  61           2HB      PRO  61   8.866  23.207 -14.255
  406    HB3  PRO  61           1HB      PRO  61   8.763  21.467 -13.931
  407    HG2  PRO  61           2HG      PRO  61   6.716  23.098 -13.449
  408    HG3  PRO  61           1HG      PRO  61   7.071  21.714 -12.402
  409    HD2  PRO  61           2HD      PRO  61   7.564  24.623 -11.913
  410    HD3  PRO  61           1HD      PRO  61   7.123  23.342 -10.761
  411    H    THR  62           H        THR  62  12.125  21.600 -12.864
  412    HA   THR  62           HA       THR  62  14.154  22.306 -13.658
  413    HB   THR  62           HB       THR  62  12.715  24.561 -15.051
  414    HG1  THR  62           1HG      THR  62  12.915  21.836 -15.813
  415   HG21  THR  62          3HG2      THR  62  15.078  24.654 -15.344
  416   HG22  THR  62          1HG2      THR  62  14.451  23.904 -16.811
  417   HG23  THR  62          2HG2      THR  62  15.193  22.907 -15.560
  Start of MODEL   15
    1    H1   GLY   1           1HT      GLY   1 -42.752  -7.122  -7.146
    2    H2   GLY   1           2HT      GLY   1 -42.825  -6.970  -8.837
    3    H3   GLY   1           3HT      GLY   1 -44.053  -6.308  -7.868
    4    HA2  GLY   1           2HA      GLY   1 -42.488  -4.623  -8.726
    5    HA3  GLY   1           1HA      GLY   1 -42.577  -4.680  -6.964
    6    H    SER   2           H        SER   2 -40.476  -4.532  -9.504
    7    HA   SER   2           HA       SER   2 -38.372  -6.222  -8.428
    8    HB2  SER   2           2HB      SER   2 -38.795  -5.734 -10.912
    9    HB3  SER   2           1HB      SER   2 -38.072  -4.157 -10.604
   10    HG   SER   2           HG       SER   2 -36.177  -5.112 -10.123
   11    H    MET   3           H        MET   3 -37.168  -5.588  -6.752
   12    HA   MET   3           HA       MET   3 -36.220  -2.810  -6.642
   13    HB2  MET   3           2HB      MET   3 -36.727  -2.698  -4.206
   14    HB3  MET   3           1HB      MET   3 -38.175  -2.783  -5.206
   15    HG2  MET   3           2HG      MET   3 -38.120  -5.315  -4.819
   16    HG3  MET   3           1HG      MET   3 -36.915  -4.995  -3.571
   17    HE1  MET   3           3HE      MET   3 -40.644  -5.520  -4.133
   18    HE2  MET   3           1HE      MET   3 -40.230  -4.061  -5.046
   19    HE3  MET   3           2HE      MET   3 -41.345  -3.966  -3.685
   20    H    ALA   4           H        ALA   4 -34.927  -5.326  -7.352
   21    HA   ALA   4           HA       ALA   4 -33.277  -6.144  -5.130
   22    HB1  ALA   4           1HB      ALA   4 -33.907  -7.630  -7.066
   23    HB2  ALA   4           2HB      ALA   4 -32.179  -7.583  -6.712
   24    HB3  ALA   4           3HB      ALA   4 -32.825  -6.669  -8.074
   25    H    GLN   5           H        GLN   5 -32.713  -4.323  -8.152
   26    HA   GLN   5           HA       GLN   5 -30.015  -3.627  -7.468
   27    HB2  GLN   5           2HB      GLN   5 -31.925  -2.553  -9.553
   28    HB3  GLN   5           1HB      GLN   5 -30.242  -2.042  -9.406
   29    HG2  GLN   5           2HG      GLN   5 -29.415  -4.155 -10.002
   30    HG3  GLN   5           1HG      GLN   5 -30.928  -4.964  -9.599
   31   HE21  GLN   5          1HE2      GLN   5 -32.288  -5.408 -11.338
   32   HE22  GLN   5          2HE2      GLN   5 -32.187  -4.655 -12.866
   33    H    GLU   6           H        GLU   6 -33.128  -1.900  -7.425
   34    HA   GLU   6           HA       GLU   6 -31.919   0.458  -6.226
   35    HB2  GLU   6           2HB      GLU   6 -34.766  -0.250  -6.961
   36    HB3  GLU   6           1HB      GLU   6 -34.302   1.280  -6.216
   37    HG2  GLU   6           2HG      GLU   6 -32.795   1.764  -8.087
   38    HG3  GLU   6           1HG      GLU   6 -33.186   0.211  -8.824
   39    H    THR   7           H        THR   7 -31.412   0.394  -4.123
   40    HA   THR   7           HA       THR   7 -33.441  -0.560  -2.218
   41    HB   THR   7           HB       THR   7 -30.549  -1.258  -1.791
   42    HG1  THR   7           1HG      THR   7 -30.728  -2.620  -3.360
   43   HG21  THR   7          3HG2      THR   7 -31.591  -3.019  -0.386
   44   HG22  THR   7          1HG2      THR   7 -33.184  -2.400  -0.822
   45   HG23  THR   7          2HG2      THR   7 -32.076  -1.399   0.117
   46    H    ASN   8           H        ASN   8 -33.204   0.309  -0.085
   47    HA   ASN   8           HA       ASN   8 -31.984   2.966  -0.102
   48    HB2  ASN   8           2HB      ASN   8 -34.366   2.506   0.667
   49    HB3  ASN   8           1HB      ASN   8 -33.657   1.733   2.084
   50   HD21  ASN   8          1HD2      ASN   8 -34.799   4.691   0.950
   51   HD22  ASN   8          2HD2      ASN   8 -33.985   5.714   2.047
   52    H    GLN   9           H        GLN   9 -31.819  -0.086   1.703
   53    HA   GLN   9           HA       GLN   9 -29.840   0.904   3.558
   54    HB2  GLN   9           2HB      GLN   9 -31.027  -1.812   3.011
   55    HB3  GLN   9           1HB      GLN   9 -29.698  -1.589   4.150
   56    HG2  GLN   9           2HG      GLN   9 -31.066   0.112   5.357
   57    HG3  GLN   9           1HG      GLN   9 -32.407  -0.233   4.265
   58   HE21  GLN   9          1HE2      GLN   9 -33.292  -2.500   4.326
   59   HE22  GLN   9          2HE2      GLN   9 -33.141  -3.403   5.766
   60    H    THR  10           H        THR  10 -27.821  -0.612   3.846
   61    HA   THR  10           HA       THR  10 -26.615  -1.465   1.334
   62    HB   THR  10           HB       THR  10 -25.277   0.697   2.963
   63    HG1  THR  10           1HG      THR  10 -26.769   1.869   2.034
   64   HG21  THR  10          3HG2      THR  10 -23.929   0.887   0.841
   65   HG22  THR  10          1HG2      THR  10 -24.743  -0.568   0.264
   66   HG23  THR  10          2HG2      THR  10 -23.719  -0.641   1.698
   67    HA   PRO  11           HA       PRO  11 -24.960  -3.913   4.823
   68    HB2  PRO  11           2HB      PRO  11 -24.836  -6.308   3.605
   69    HB3  PRO  11           1HB      PRO  11 -26.384  -5.606   4.114
   70    HG2  PRO  11           2HG      PRO  11 -25.200  -5.808   1.404
   71    HG3  PRO  11           1HG      PRO  11 -26.896  -5.884   1.909
   72    HD2  PRO  11           2HD      PRO  11 -25.576  -3.621   0.843
   73    HD3  PRO  11           1HD      PRO  11 -27.170  -3.637   1.628
   74    H    GLY  12           H        GLY  12 -22.845  -4.011   5.378
   75    HA2  GLY  12           2HA      GLY  12 -20.557  -4.186   5.260
   76    HA3  GLY  12           1HA      GLY  12 -20.784  -5.109   3.778
   77    HA   PRO  13           HA       PRO  13 -20.494  -0.768   1.894
   78    HB2  PRO  13           2HB      PRO  13 -20.856   1.488   3.398
   79    HB3  PRO  13           1HB      PRO  13 -22.194   0.603   2.636
   80    HG2  PRO  13           2HG      PRO  13 -21.262   0.565   5.463
   81    HG3  PRO  13           1HG      PRO  13 -22.913   0.530   4.813
   82    HD2  PRO  13           2HD      PRO  13 -21.603  -1.708   5.723
   83    HD3  PRO  13           1HD      PRO  13 -22.879  -1.748   4.488
   84    H    MET  14           H        MET  14 -18.256  -1.502   1.938
   85    HA   MET  14           HA       MET  14 -16.419  -0.602   3.951
   86    HB2  MET  14           2HB      MET  14 -16.255  -2.091   1.378
   87    HB3  MET  14           1HB      MET  14 -14.794  -1.243   1.877
   88    HG2  MET  14           2HG      MET  14 -15.838  -2.567   4.198
   89    HG3  MET  14           1HG      MET  14 -15.874  -3.730   2.878
   90    HE1  MET  14           3HE      MET  14 -14.168  -4.236   5.427
   91    HE2  MET  14           1HE      MET  14 -14.069  -2.491   5.693
   92    HE3  MET  14           2HE      MET  14 -12.595  -3.447   5.536
   93    H    LEU  15           H        LEU  15 -17.023   1.695   3.942
   94    HA   LEU  15           HA       LEU  15 -16.365   3.292   1.620
   95    HB2  LEU  15           2HB      LEU  15 -17.766   3.676   4.121
   96    HB3  LEU  15           1HB      LEU  15 -16.568   4.952   3.932
   97    HG   LEU  15           HG       LEU  15 -18.317   4.218   1.600
   98   HD11  LEU  15          1HD1      LEU  15 -19.071   5.866   4.009
   99   HD12  LEU  15          2HD1      LEU  15 -19.974   4.547   3.269
  100   HD13  LEU  15          3HD1      LEU  15 -19.838   6.099   2.439
  101   HD21  LEU  15          3HD2      LEU  15 -17.336   6.930   2.496
  102   HD22  LEU  15          1HD2      LEU  15 -17.824   6.419   0.880
  103   HD23  LEU  15          2HD2      LEU  15 -16.306   5.840   1.569
  104    H    CYS  16           H        CYS  16 -14.610   4.655   1.354
  105    HA   CYS  16           HA       CYS  16 -12.115   3.785   2.151
  106    HB2  CYS  16           2HB      CYS  16 -12.764   5.495   0.328
  107    HB3  CYS  16           1HB      CYS  16 -12.608   6.702   1.609
  108    H    SER  17           H        SER  17 -10.996   3.803   3.952
  109    HA   SER  17           HA       SER  17 -11.918   4.955   6.364
  110    HB2  SER  17           2HB      SER  17  -9.084   4.080   5.816
  111    HB3  SER  17           1HB      SER  17  -9.932   4.104   7.364
  112    HG   SER  17           HG       SER  17  -9.772   2.105   5.733
  113    H    THR  18           H        THR  18  -9.940   6.303   3.813
  114    HA   THR  18           HA       THR  18  -8.678   8.298   5.457
  115    HB   THR  18           HB       THR  18  -7.920   9.269   3.340
  116    HG1  THR  18           1HG      THR  18  -9.300   9.036   1.793
  117   HG21  THR  18          3HG2      THR  18  -7.724   6.282   3.013
  118   HG22  THR  18          1HG2      THR  18  -6.953   7.087   4.380
  119   HG23  THR  18          2HG2      THR  18  -6.490   7.509   2.732
  120    H    GLY  19           H        GLY  19 -11.806   8.050   3.955
  121    HA2  GLY  19           2HA      GLY  19 -13.608   9.485   4.303
  122    HA3  GLY  19           1HA      GLY  19 -12.496  10.682   4.965
  123    H    CYS  20           H        CYS  20 -12.428   9.050   1.784
  124    HA   CYS  20           HA       CYS  20 -12.207  11.673   0.517
  125    HB2  CYS  20           2HB      CYS  20 -11.639  10.452  -1.534
  126    HB3  CYS  20           1HB      CYS  20 -10.619   9.958  -0.177
  127    H    GLY  21           H        GLY  21 -14.634   9.231   1.007
  128    HA2  GLY  21           2HA      GLY  21 -16.947   9.713   0.742
  129    HA3  GLY  21           1HA      GLY  21 -16.542  10.880  -0.508
  130    H    PHE  22           H        PHE  22 -14.818   8.001  -1.055
  131    HA   PHE  22           HA       PHE  22 -16.799   7.156  -3.064
  132    HB2  PHE  22           2HB      PHE  22 -13.782   7.050  -2.973
  133    HB3  PHE  22           1HB      PHE  22 -14.710   6.096  -4.133
  134    HD1  PHE  22           1HD      PHE  22 -16.326   7.270  -5.697
  135    HD2  PHE  22           2HD      PHE  22 -13.458   9.389  -3.299
  136    HE1  PHE  22           1HE      PHE  22 -16.598   9.269  -7.138
  137    HE2  PHE  22           2HE      PHE  22 -13.729  11.386  -4.745
  138    HZ   PHE  22           HZ       PHE  22 -15.299  11.326  -6.660
  139    H    TYR  23           H        TYR  23 -15.914   4.675  -3.689
  140    HA   TYR  23           HA       TYR  23 -16.642   3.118  -1.304
  141    HB2  TYR  23           2HB      TYR  23 -17.784   2.979  -3.656
  142    HB3  TYR  23           1HB      TYR  23 -16.389   1.981  -4.072
  143    HD1  TYR  23           2HD      TYR  23 -18.718   2.333  -1.129
  144    HD2  TYR  23           1HD      TYR  23 -16.751  -0.302  -3.898
  145    HE1  TYR  23           2HE      TYR  23 -19.800   0.385  -0.044
  146    HE2  TYR  23           1HE      TYR  23 -17.836  -2.250  -2.810
  147    HH   TYR  23           HH       TYR  23 -19.191  -2.174   0.161
  148    H    GLY  24           H        GLY  24 -15.383   1.520  -0.451
  149    HA2  GLY  24           2HA      GLY  24 -12.610   1.304  -1.482
  150    HA3  GLY  24           1HA      GLY  24 -13.072   1.117   0.213
  151    H    ASN  25           H        ASN  25 -11.563  -0.861  -0.790
  152    HA   ASN  25           HA       ASN  25 -13.465  -3.086  -1.258
  153    HB2  ASN  25           2HB      ASN  25 -11.732  -2.303  -3.133
  154    HB3  ASN  25           1HB      ASN  25 -10.625  -3.295  -2.188
  155   HD21  ASN  25          1HD2      ASN  25 -13.473  -3.377  -4.274
  156   HD22  ASN  25          2HD2      ASN  25 -13.539  -5.078  -4.410
  157    HA   PRO  26           HA       PRO  26 -11.507  -4.682   2.469
  158    HB2  PRO  26           2HB      PRO  26 -12.531  -7.174   2.529
  159    HB3  PRO  26           1HB      PRO  26 -13.529  -5.734   2.828
  160    HG2  PRO  26           2HG      PRO  26 -13.238  -7.333   0.322
  161    HG3  PRO  26           1HG      PRO  26 -14.715  -6.733   1.101
  162    HD2  PRO  26           2HD      PRO  26 -13.544  -5.451  -1.010
  163    HD3  PRO  26           1HD      PRO  26 -14.454  -4.591   0.250
  164    H    ARG  27           H        ARG  27 -11.058  -6.092  -0.702
  165    HA   ARG  27           HA       ARG  27  -9.080  -8.036   0.087
  166    HB2  ARG  27           2HB      ARG  27  -9.654  -6.863  -2.656
  167    HB3  ARG  27           1HB      ARG  27  -8.730  -8.326  -2.313
  168    HG2  ARG  27           2HG      ARG  27 -10.712  -9.407  -1.378
  169    HG3  ARG  27           1HG      ARG  27 -11.651  -7.930  -1.587
  170    HD2  ARG  27           2HD      ARG  27 -11.671  -8.125  -3.930
  171    HD3  ARG  27           1HD      ARG  27 -10.284  -9.207  -3.944
  172    HE   ARG  27           HE       ARG  27 -12.468 -10.396  -2.546
  173   HH11  ARG  27          1HH2      ARG  27 -11.406  -9.634  -5.812
  174   HH12  ARG  27          2HH2      ARG  27 -12.231 -10.986  -6.505
  175   HH21  ARG  27          1HH1      ARG  27 -13.515 -12.130  -3.504
  176   HH22  ARG  27          2HH1      ARG  27 -13.414 -12.384  -5.214
  177    H    THR  28           H        THR  28  -9.179  -4.701  -1.034
  178    HA   THR  28           HA       THR  28  -6.309  -4.437  -1.310
  179    HB   THR  28           HB       THR  28  -6.815  -2.071  -1.737
  180    HG1  THR  28           1HG      THR  28  -8.845  -1.278  -1.401
  181   HG21  THR  28          3HG2      THR  28  -7.149  -3.389  -3.676
  182   HG22  THR  28          1HG2      THR  28  -8.609  -2.408  -3.553
  183   HG23  THR  28          2HG2      THR  28  -8.637  -4.095  -3.042
  184    H    ASN  29           H        ASN  29  -6.151  -1.819   0.119
  185    HA   ASN  29           HA       ASN  29  -5.768  -2.887   2.809
  186    HB2  ASN  29           2HB      ASN  29  -4.473  -0.907   1.165
  187    HB3  ASN  29           1HB      ASN  29  -4.964  -0.146   2.674
  188   HD21  ASN  29          1HD2      ASN  29  -3.616  -3.382   1.773
  189   HD22  ASN  29          2HD2      ASN  29  -2.410  -3.369   2.979
  190    H    GLY  30           H        GLY  30  -8.550  -2.262   1.806
  191    HA2  GLY  30           2HA      GLY  30 -10.455  -1.540   2.868
  192    HA3  GLY  30           1HA      GLY  30  -9.446  -0.826   4.126
  193    H    MET  31           H        MET  31  -8.433   0.147   1.004
  194    HA   MET  31           HA       MET  31  -9.898   2.702   1.270
  195    HB2  MET  31           2HB      MET  31  -7.046   2.012   0.705
  196    HB3  MET  31           1HB      MET  31  -7.721   3.431  -0.100
  197    HG2  MET  31           2HG      MET  31  -6.768   4.188   1.951
  198    HG3  MET  31           1HG      MET  31  -8.507   4.212   2.186
  199    HE1  MET  31           3HE      MET  31  -5.977   4.307   3.891
  200    HE2  MET  31           1HE      MET  31  -5.116   2.763   3.850
  201    HE3  MET  31           2HE      MET  31  -6.064   3.209   5.265
  202    H    CYS  32           H        CYS  32  -9.942   3.924  -0.840
  203    HA   CYS  32           HA       CYS  32 -11.109   2.258  -2.871
  204    HB2  CYS  32           2HB      CYS  32 -11.789   4.341  -3.915
  205    HB3  CYS  32           1HB      CYS  32 -12.067   4.462  -2.180
  206    H    SER  33           H        SER  33 -10.369   3.700  -5.211
  207    HA   SER  33           HA       SER  33  -7.931   2.329  -5.840
  208    HB2  SER  33           2HB      SER  33 -10.102   3.200  -7.286
  209    HB3  SER  33           1HB      SER  33  -8.836   4.306  -7.810
  210    HG   SER  33           HG       SER  33  -9.123   2.067  -8.824
  211    H    VAL  34           H        VAL  34  -8.739   5.817  -5.568
  212    HA   VAL  34           HA       VAL  34  -6.146   6.710  -6.311
  213    HB   VAL  34           HB       VAL  34  -8.128   8.235  -4.610
  214   HG11  VAL  34          1HG1      VAL  34  -6.075   9.145  -6.652
  215   HG12  VAL  34          2HG1      VAL  34  -5.853   9.206  -4.904
  216   HG13  VAL  34          3HG1      VAL  34  -7.101  10.188  -5.668
  217   HG21  VAL  34          3HG2      VAL  34  -8.743   9.144  -7.026
  218   HG22  VAL  34          1HG2      VAL  34  -9.505   7.675  -6.412
  219   HG23  VAL  34          2HG2      VAL  34  -8.158   7.561  -7.541
  220    H    CYS  35           H        CYS  35  -7.712   6.665  -3.101
  221    HA   CYS  35           HA       CYS  35  -5.550   7.529  -1.585
  222    HB2  CYS  35           2HB      CYS  35  -7.794   5.665  -0.778
  223    HB3  CYS  35           1HB      CYS  35  -6.701   6.483   0.343
  224    H    TYR  36           H        TYR  36  -6.338   4.256  -2.674
  225    HA   TYR  36           HA       TYR  36  -4.595   2.813  -1.032
  226    HB2  TYR  36           2HB      TYR  36  -6.306   1.743  -2.416
  227    HB3  TYR  36           1HB      TYR  36  -5.411   2.167  -3.870
  228    HD1  TYR  36           2HD      TYR  36  -4.460   0.720  -0.527
  229    HD2  TYR  36           1HD      TYR  36  -4.375   0.279  -4.800
  230    HE1  TYR  36           2HE      TYR  36  -3.138  -1.358  -0.285
  231    HE2  TYR  36           1HE      TYR  36  -3.058  -1.809  -4.554
  232    HH   TYR  36           HH       TYR  36  -2.768  -3.590  -2.690
  233    H    LYS  37           H        LYS  37  -3.950   4.521  -4.052
  234    HA   LYS  37           HA       LYS  37  -1.224   3.586  -4.226
  235    HB2  LYS  37           2HB      LYS  37  -2.766   4.423  -6.151
  236    HB3  LYS  37           1HB      LYS  37  -2.260   6.031  -5.629
  237    HG2  LYS  37           2HG      LYS  37   0.142   5.181  -5.785
  238    HG3  LYS  37           1HG      LYS  37  -0.512   3.773  -6.622
  239    HD2  LYS  37           2HD      LYS  37  -1.420   5.142  -8.383
  240    HD3  LYS  37           1HD      LYS  37  -1.051   6.621  -7.496
  241    HE2  LYS  37           2HE      LYS  37   1.394   5.903  -7.579
  242    HE3  LYS  37           1HE      LYS  37   0.899   4.678  -8.745
  243    HZ1  LYS  37           3HZ      LYS  37  -0.000   6.429 -10.148
  244    HZ2  LYS  37           1HZ      LYS  37   1.650   6.685  -9.854
  245    HZ3  LYS  37           2HZ      LYS  37   0.488   7.608  -9.027
  246    H    GLU  38           H        GLU  38  -2.852   6.603  -3.294
  247    HA   GLU  38           HA       GLU  38  -0.617   8.178  -2.787
  248    HB2  GLU  38           2HB      GLU  38  -3.381   8.192  -1.597
  249    HB3  GLU  38           1HB      GLU  38  -2.165   9.391  -1.154
  250    HG2  GLU  38           2HG      GLU  38  -1.880   9.685  -3.738
  251    HG3  GLU  38           1HG      GLU  38  -3.465   8.915  -3.829
  252    H    HIS  39           H        HIS  39  -2.248   5.899  -0.547
  253    HA   HIS  39           HA       HIS  39  -0.427   6.679   1.581
  254    HB2  HIS  39           2HB      HIS  39  -1.639   5.297   3.053
  255    HB3  HIS  39           1HB      HIS  39  -2.836   6.031   2.001
  256    HD1  HIS  39           1HD      HIS  39  -4.622   4.358   1.637
  257    HD2  HIS  39           2HD      HIS  39  -0.871   2.554   1.559
  258    HE1  HIS  39           1HE      HIS  39  -5.017   1.891   1.231
  259    HE2  HIS  39           2HE      HIS  39  -2.736   0.784   1.165
  260    H    LEU  40           H        LEU  40  -0.683   4.043  -0.713
  261    HA   LEU  40           HA       LEU  40   1.209   2.298   0.465
  262    HB2  LEU  40           2HB      LEU  40  -0.398   1.758  -1.425
  263    HB3  LEU  40           1HB      LEU  40   0.730   2.585  -2.505
  264    HG   LEU  40           HG       LEU  40   2.522   1.024  -1.460
  265   HD11  LEU  40          1HD1      LEU  40   1.006   0.263   0.381
  266   HD12  LEU  40          2HD1      LEU  40   1.671  -1.073  -0.561
  267   HD13  LEU  40          3HD1      LEU  40   0.007  -0.548  -0.825
  268   HD21  LEU  40          3HD2      LEU  40   2.060  -0.675  -3.132
  269   HD22  LEU  40          1HD2      LEU  40   1.566   0.884  -3.790
  270   HD23  LEU  40          2HD2      LEU  40   0.352  -0.235  -3.170
  271    H    GLN  41           H        GLN  41   1.601   5.165  -1.512
  272    HA   GLN  41           HA       GLN  41   4.251   4.767  -2.393
  273    HB2  GLN  41           2HB      GLN  41   2.583   6.587  -3.115
  274    HB3  GLN  41           1HB      GLN  41   3.133   7.475  -1.692
  275    HG2  GLN  41           2HG      GLN  41   4.610   8.273  -3.306
  276    HG3  GLN  41           1HG      GLN  41   5.534   6.923  -2.638
  277   HE21  GLN  41          1HE2      GLN  41   5.460   8.144  -5.461
  278   HE22  GLN  41          2HE2      GLN  41   5.181   6.805  -6.481
  279    H    ARG  42           H        ARG  42   2.980   6.216   0.582
  280    HA   ARG  42           HA       ARG  42   5.626   6.855   1.586
  281    HB2  ARG  42           2HB      ARG  42   3.523   8.219   2.011
  282    HB3  ARG  42           1HB      ARG  42   3.017   6.932   3.105
  283    HG2  ARG  42           2HG      ARG  42   5.256   7.226   4.287
  284    HG3  ARG  42           1HG      ARG  42   5.467   8.695   3.331
  285    HD2  ARG  42           2HD      ARG  42   3.255   9.505   4.206
  286    HD3  ARG  42           1HD      ARG  42   3.208   8.098   5.264
  287    HE   ARG  42           HE       ARG  42   4.683   9.190   6.657
  288   HH11  ARG  42          1HH2      ARG  42   4.928  10.643   3.462
  289   HH12  ARG  42          2HH2      ARG  42   6.063  11.837   3.982
  290   HH21  ARG  42          1HH1      ARG  42   6.135  10.779   7.274
  291   HH22  ARG  42          2HH1      ARG  42   6.729  11.923   6.119
  292    H    GLN  43           H        GLN  43   3.221   4.314   2.013
  293    HA   GLN  43           HA       GLN  43   4.404   3.192   4.372
  294    HB2  GLN  43           2HB      GLN  43   1.993   2.881   3.505
  295    HB3  GLN  43           1HB      GLN  43   2.682   1.659   2.435
  296    HG2  GLN  43           2HG      GLN  43   3.610   0.461   4.366
  297    HG3  GLN  43           1HG      GLN  43   2.978   1.697   5.452
  298   HE21  GLN  43          1HE2      GLN  43   1.830  -0.634   2.953
  299   HE22  GLN  43          2HE2      GLN  43   0.337  -0.925   3.707
  300    H    GLN  44           H        GLN  44   4.476   2.294   0.921
  301    HA   GLN  44           HA       GLN  44   6.163   0.041   1.211
  302    HB2  GLN  44           2HB      GLN  44   4.730   0.887  -0.826
  303    HB3  GLN  44           1HB      GLN  44   6.227   1.701  -1.282
  304    HG2  GLN  44           2HG      GLN  44   7.430  -0.465  -1.133
  305    HG3  GLN  44           1HG      GLN  44   5.912  -1.264  -0.735
  306   HE21  GLN  44          1HE2      GLN  44   4.424  -1.700  -2.452
  307   HE22  GLN  44          2HE2      GLN  44   4.784  -1.363  -4.085
  308    H    ASN  45           H        ASN  45   6.912   3.441   1.234
  309    HA   ASN  45           HA       ASN  45   9.547   3.471   0.302
  310    HB2  ASN  45           2HB      ASN  45   8.099   5.455   0.919
  311    HB3  ASN  45           1HB      ASN  45   8.520   5.137   2.601
  312   HD21  ASN  45          1HD2      ASN  45  10.914   5.190   3.130
  313   HD22  ASN  45          2HD2      ASN  45  11.927   6.205   2.206
  314    H    SER  46           H        SER  46   8.282   2.438   3.421
  315    HA   SER  46           HA       SER  46  10.654   2.472   4.927
  316    HB2  SER  46           2HB      SER  46   8.198   2.010   5.654
  317    HB3  SER  46           1HB      SER  46   8.587   0.330   5.306
  318    HG   SER  46           HG       SER  46   9.044   1.394   7.515
  319    H    GLY  47           H        GLY  47   9.155  -0.486   3.557
  320    HA2  GLY  47           2HA      GLY  47  10.091  -2.391   2.668
  321    HA3  GLY  47           1HA      GLY  47  11.530  -1.435   2.326
  322    H    ARG  48           H        ARG  48   9.833  -2.765   5.190
  323    HA   ARG  48           HA       ARG  48  12.429  -3.252   6.467
  324    HB2  ARG  48           2HB      ARG  48  11.071  -3.773   8.490
  325    HB3  ARG  48           1HB      ARG  48  10.796  -2.149   7.868
  326    HG2  ARG  48           2HG      ARG  48   8.656  -2.634   7.133
  327    HG3  ARG  48           1HG      ARG  48   9.014  -4.341   6.875
  328    HD2  ARG  48           2HD      ARG  48   8.842  -4.846   9.179
  329    HD3  ARG  48           1HD      ARG  48   8.983  -3.155   9.647
  330    HE   ARG  48           HE       ARG  48   6.676  -3.385   8.081
  331   HH11  ARG  48          1HH2      ARG  48   7.843  -4.599  11.173
  332   HH12  ARG  48          2HH2      ARG  48   6.253  -4.697  11.848
  333   HH21  ARG  48          1HH1      ARG  48   4.643  -3.532   9.016
  334   HH22  ARG  48          2HH1      ARG  48   4.462  -4.099  10.644
  335    H    MET  49           H        MET  49  12.651  -4.911   4.606
  336    HA   MET  49           HA       MET  49  11.284  -7.441   5.090
  337    HB2  MET  49           2HB      MET  49  11.954  -6.449   2.783
  338    HB3  MET  49           1HB      MET  49  13.566  -7.050   3.172
  339    HG2  MET  49           2HG      MET  49  12.534  -8.829   1.988
  340    HG3  MET  49           1HG      MET  49  12.421  -9.296   3.684
  341    HE1  MET  49           3HE      MET  49  10.066  -9.962   0.797
  342    HE2  MET  49           1HE      MET  49   9.367 -10.793   2.194
  343    HE3  MET  49           2HE      MET  49  11.114 -10.754   1.971
  344    H    SER  50           H        SER  50  14.713  -6.446   4.814
  345    HA   SER  50           HA       SER  50  15.503  -8.709   6.497
  346    HB2  SER  50           2HB      SER  50  16.685  -7.806   4.299
  347    HB3  SER  50           1HB      SER  50  17.462  -6.709   5.437
  348    HG   SER  50           HG       SER  50  18.572  -8.329   6.205
  349    HA   PRO  51           HA       PRO  51  15.863  -6.395  10.253
  350    HB2  PRO  51           2HB      PRO  51  18.601  -7.476  10.670
  351    HB3  PRO  51           1HB      PRO  51  17.159  -7.618  11.694
  352    HG2  PRO  51           2HG      PRO  51  18.092  -9.674  10.266
  353    HG3  PRO  51           1HG      PRO  51  16.361  -9.433  10.554
  354    HD2  PRO  51           2HD      PRO  51  17.947  -8.931   8.066
  355    HD3  PRO  51           1HD      PRO  51  16.268  -9.489   8.243
  356    H    MET  52           H        MET  52  18.832  -6.407   8.286
  357    HA   MET  52           HA       MET  52  19.819  -3.920   9.322
  358    HB2  MET  52           2HB      MET  52  20.551  -5.434   6.802
  359    HB3  MET  52           1HB      MET  52  21.452  -4.073   7.472
  360    HG2  MET  52           2HG      MET  52  21.906  -5.321   9.515
  361    HG3  MET  52           1HG      MET  52  20.898  -6.657   8.959
  362    HE1  MET  52           3HE      MET  52  24.120  -8.533   8.573
  363    HE2  MET  52           1HE      MET  52  22.400  -8.565   8.983
  364    HE3  MET  52           2HE      MET  52  23.511  -7.556   9.905
  365    H    GLY  53           H        GLY  53  18.664  -4.787   6.044
  366    HA2  GLY  53           2HA      GLY  53  16.717  -3.280   5.314
  367    HA3  GLY  53           1HA      GLY  53  17.846  -1.972   5.651
  368    H    THR  54           H        THR  54  20.214  -3.153   4.683
  369    HA   THR  54           HA       THR  54  19.646  -3.540   1.801
  370    HB   THR  54           HB       THR  54  21.713  -2.184   1.363
  371    HG1  THR  54           1HG      THR  54  22.768  -2.144   3.248
  372   HG21  THR  54          3HG2      THR  54  20.570   0.033   2.090
  373   HG22  THR  54          1HG2      THR  54  19.276  -1.009   2.685
  374   HG23  THR  54          2HG2      THR  54  19.705  -1.024   0.974
  375    H    ALA  55           H        ALA  55  20.551  -5.323   0.997
  376    HA   ALA  55           HA       ALA  55  22.496  -6.793   2.614
  377    HB1  ALA  55           1HB      ALA  55  20.492  -7.922   1.602
  378    HB2  ALA  55           2HB      ALA  55  22.033  -8.658   1.161
  379    HB3  ALA  55           3HB      ALA  55  21.192  -7.617   0.012
  380    H    SER  56           H        SER  56  24.226  -7.993   1.244
  381    HA   SER  56           HA       SER  56  25.298  -6.374  -0.942
  382    HB2  SER  56           2HB      SER  56  26.728  -6.803   1.685
  383    HB3  SER  56           1HB      SER  56  27.550  -6.314   0.206
  384    HG   SER  56           HG       SER  56  26.720  -4.623   1.735
  385    H    GLY  57           H        GLY  57  27.528  -7.423  -1.608
  386    HA2  GLY  57           2HA      GLY  57  28.719  -9.277  -2.302
  387    HA3  GLY  57           1HA      GLY  57  27.828 -10.238  -1.126
  388    H    SER  58           H        SER  58  27.318  -8.540  -4.231
  389    HA   SER  58           HA       SER  58  26.013 -10.918  -5.311
  390    HB2  SER  58           2HB      SER  58  24.062  -9.524  -6.097
  391    HB3  SER  58           1HB      SER  58  24.110  -9.812  -4.359
  392    HG   SER  58           HG       SER  58  23.908  -7.521  -5.465
  393    H    ASN  59           H        ASN  59  28.505  -9.486  -5.853
  394    HA   ASN  59           HA       ASN  59  28.016  -8.253  -8.478
  395    HB2  ASN  59           2HB      ASN  59  30.441  -7.658  -8.370
  396    HB3  ASN  59           1HB      ASN  59  29.495  -6.985  -7.047
  397   HD21  ASN  59          1HD2      ASN  59  31.993  -9.351  -7.862
  398   HD22  ASN  59          2HD2      ASN  59  32.417  -9.716  -6.260
  399    H    SER  60           H        SER  60  28.340  -9.321 -10.322
  400    HA   SER  60           HA       SER  60  30.299 -11.457 -10.518
  401    HB2  SER  60           2HB      SER  60  27.337 -11.960 -10.614
  402    HB3  SER  60           1HB      SER  60  28.446 -12.966 -11.541
  403    HG   SER  60           HG       SER  60  28.161 -13.863  -9.505
  404    HA   PRO  61           HA       PRO  61  30.389  -9.924 -14.675
  405    HB2  PRO  61           2HB      PRO  61  31.301 -12.061 -16.098
  406    HB3  PRO  61           1HB      PRO  61  32.325 -11.148 -14.973
  407    HG2  PRO  61           2HG      PRO  61  30.973 -13.769 -14.601
  408    HG3  PRO  61           1HG      PRO  61  32.569 -13.231 -14.054
  409    HD2  PRO  61           2HD      PRO  61  30.343 -13.340 -12.426
  410    HD3  PRO  61           1HD      PRO  61  31.731 -12.271 -12.138
  411    H    THR  62           H        THR  62  29.285  -9.913 -16.693
  412    HA   THR  62           HA       THR  62  26.733 -11.325 -16.659
  413    HB   THR  62           HB       THR  62  26.266  -9.874 -18.665
  414    HG1  THR  62           1HG      THR  62  27.987  -9.080 -19.542
  415   HG21  THR  62          3HG2      THR  62  27.261  -8.291 -16.290
  416   HG22  THR  62          1HG2      THR  62  25.790  -9.262 -16.235
  417   HG23  THR  62          2HG2      THR  62  25.910  -7.908 -17.358
  Start of MODEL   16
    1    H1   GLY   1           1HT      GLY   1 -32.343 -20.354  11.170
    2    H2   GLY   1           2HT      GLY   1 -31.867 -20.011   9.574
    3    H3   GLY   1           3HT      GLY   1 -33.516 -20.077   9.977
    4    HA2  GLY   1           2HA      GLY   1 -32.956 -17.795   9.802
    5    HA3  GLY   1           1HA      GLY   1 -33.145 -18.168  11.516
    6    H    SER   2           H        SER   2 -31.384 -16.266   9.770
    7    HA   SER   2           HA       SER   2 -28.701 -17.047  10.607
    8    HB2  SER   2           2HB      SER   2 -29.832 -14.822   8.931
    9    HB3  SER   2           1HB      SER   2 -28.173 -14.755   9.517
   10    HG   SER   2           HG       SER   2 -28.527 -15.784   7.410
   11    H    MET   3           H        MET   3 -27.550 -16.136  12.244
   12    HA   MET   3           HA       MET   3 -28.990 -14.261  14.010
   13    HB2  MET   3           2HB      MET   3 -27.987 -16.546  14.783
   14    HB3  MET   3           1HB      MET   3 -26.447 -15.689  14.745
   15    HG2  MET   3           2HG      MET   3 -27.385 -13.952  16.242
   16    HG3  MET   3           1HG      MET   3 -28.908 -14.840  16.302
   17    HE1  MET   3           3HE      MET   3 -25.322 -14.551  17.001
   18    HE2  MET   3           1HE      MET   3 -25.045 -16.218  16.477
   19    HE3  MET   3           2HE      MET   3 -24.884 -15.787  18.177
   20    H    ALA   4           H        ALA   4 -27.758 -13.331  11.570
   21    HA   ALA   4           HA       ALA   4 -25.484 -11.741  12.600
   22    HB1  ALA   4           1HB      ALA   4 -24.766 -11.500  10.298
   23    HB2  ALA   4           2HB      ALA   4 -26.214 -12.327   9.723
   24    HB3  ALA   4           3HB      ALA   4 -25.001 -13.211  10.647
   25    H    GLN   5           H        GLN   5 -28.594 -11.605  10.932
   26    HA   GLN   5           HA       GLN   5 -28.446  -8.678  10.765
   27    HB2  GLN   5           2HB      GLN   5 -30.368 -10.712   9.621
   28    HB3  GLN   5           1HB      GLN   5 -30.621  -8.971   9.499
   29    HG2  GLN   5           2HG      GLN   5 -28.000 -10.174   8.648
   30    HG3  GLN   5           1HG      GLN   5 -29.383 -10.206   7.555
   31   HE21  GLN   5          1HE2      GLN   5 -30.322  -8.072   6.923
   32   HE22  GLN   5          2HE2      GLN   5 -29.345  -6.674   6.992
   33    H    GLU   6           H        GLU   6 -28.566  -9.637  13.383
   34    HA   GLU   6           HA       GLU   6 -31.224  -8.660  14.210
   35    HB2  GLU   6           2HB      GLU   6 -31.202 -10.335  16.076
   36    HB3  GLU   6           1HB      GLU   6 -31.363 -11.060  14.477
   37    HG2  GLU   6           2HG      GLU   6 -29.141 -11.843  14.474
   38    HG3  GLU   6           1HG      GLU   6 -28.649 -10.726  15.745
   39    H    THR   7           H        THR   7 -29.123  -6.979  14.028
   40    HA   THR   7           HA       THR   7 -28.583  -6.359  16.845
   41    HB   THR   7           HB       THR   7 -26.200  -5.776  16.222
   42    HG1  THR   7           1HG      THR   7 -25.689  -6.019  14.220
   43   HG21  THR   7          3HG2      THR   7 -26.894  -8.703  15.893
   44   HG22  THR   7          1HG2      THR   7 -26.947  -7.866  17.443
   45   HG23  THR   7          2HG2      THR   7 -25.419  -8.020  16.577
   46    H    ASN   8           H        ASN   8 -27.618  -4.113  17.041
   47    HA   ASN   8           HA       ASN   8 -29.270  -2.273  15.598
   48    HB2  ASN   8           2HB      ASN   8 -28.459  -2.061  18.008
   49    HB3  ASN   8           1HB      ASN   8 -26.915  -1.547  17.334
   50   HD21  ASN   8          1HD2      ASN   8 -30.293  -0.618  17.786
   51   HD22  ASN   8          2HD2      ASN   8 -30.101   0.994  17.261
   52    H    GLN   9           H        GLN   9 -25.865  -3.207  15.438
   53    HA   GLN   9           HA       GLN   9 -25.365  -1.238  13.313
   54    HB2  GLN   9           2HB      GLN   9 -23.762  -1.677  15.290
   55    HB3  GLN   9           1HB      GLN   9 -23.349  -3.168  14.448
   56    HG2  GLN   9           2HG      GLN   9 -21.780  -1.800  13.472
   57    HG3  GLN   9           1HG      GLN   9 -23.117  -1.464  12.376
   58   HE21  GLN   9          1HE2      GLN   9 -24.356   0.568  12.764
   59   HE22  GLN   9          2HE2      GLN   9 -23.618   1.857  13.605
   60    H    THR  10           H        THR  10 -25.253  -1.789  11.208
   61    HA   THR  10           HA       THR  10 -24.932  -4.632  10.488
   62    HB   THR  10           HB       THR  10 -27.316  -4.254  10.382
   63    HG1  THR  10           1HG      THR  10 -27.598  -4.710   8.193
   64   HG21  THR  10          3HG2      THR  10 -27.015  -2.112   8.312
   65   HG22  THR  10          1HG2      THR  10 -26.893  -1.662  10.013
   66   HG23  THR  10          2HG2      THR  10 -28.359  -2.430   9.407
   67    HA   PRO  11           HA       PRO  11 -22.091  -2.130   7.891
   68    HB2  PRO  11           2HB      PRO  11 -20.083  -3.915   7.714
   69    HB3  PRO  11           1HB      PRO  11 -20.353  -2.971   9.195
   70    HG2  PRO  11           2HG      PRO  11 -21.145  -5.784   8.579
   71    HG3  PRO  11           1HG      PRO  11 -20.406  -5.118  10.048
   72    HD2  PRO  11           2HD      PRO  11 -23.097  -5.604   9.826
   73    HD3  PRO  11           1HD      PRO  11 -22.419  -4.339  10.875
   74    H    GLY  12           H        GLY  12 -20.699  -2.995   5.851
   75    HA2  GLY  12           2HA      GLY  12 -21.229  -5.105   4.264
   76    HA3  GLY  12           1HA      GLY  12 -22.658  -4.101   4.014
   77    HA   PRO  13           HA       PRO  13 -20.269  -1.534   1.301
   78    HB2  PRO  13           2HB      PRO  13 -20.864   1.045   1.911
   79    HB3  PRO  13           1HB      PRO  13 -22.062  -0.081   1.243
   80    HG2  PRO  13           2HG      PRO  13 -21.762   0.949   3.990
   81    HG3  PRO  13           1HG      PRO  13 -23.212   0.399   3.133
   82    HD2  PRO  13           2HD      PRO  13 -21.705  -1.075   5.040
   83    HD3  PRO  13           1HD      PRO  13 -23.028  -1.684   4.021
   84    H    MET  14           H        MET  14 -18.085  -1.901   1.685
   85    HA   MET  14           HA       MET  14 -16.642  -0.713   3.848
   86    HB2  MET  14           2HB      MET  14 -15.945  -2.311   1.416
   87    HB3  MET  14           1HB      MET  14 -14.654  -1.417   2.220
   88    HG2  MET  14           2HG      MET  14 -16.536  -3.140   3.823
   89    HG3  MET  14           1HG      MET  14 -15.155  -3.859   2.994
   90    HE1  MET  14           3HE      MET  14 -16.410  -1.715   5.970
   91    HE2  MET  14           1HE      MET  14 -15.148  -2.317   7.054
   92    HE3  MET  14           2HE      MET  14 -16.127  -3.448   6.123
   93    H    LEU  15           H        LEU  15 -17.243   1.520   3.651
   94    HA   LEU  15           HA       LEU  15 -16.491   3.047   1.332
   95    HB2  LEU  15           2HB      LEU  15 -18.068   3.465   3.663
   96    HB3  LEU  15           1HB      LEU  15 -16.792   4.679   3.709
   97    HG   LEU  15           HG       LEU  15 -17.373   5.264   1.321
   98   HD11  LEU  15          1HD1      LEU  15 -18.589   2.943   1.094
   99   HD12  LEU  15          2HD1      LEU  15 -19.246   4.349   0.254
  100   HD13  LEU  15          3HD1      LEU  15 -19.969   3.807   1.768
  101   HD21  LEU  15          3HD2      LEU  15 -18.303   6.341   3.502
  102   HD22  LEU  15          1HD2      LEU  15 -19.805   5.516   3.084
  103   HD23  LEU  15          2HD2      LEU  15 -19.117   6.707   1.980
  104    H    CYS  16           H        CYS  16 -14.734   4.462   1.119
  105    HA   CYS  16           HA       CYS  16 -12.262   3.622   1.948
  106    HB2  CYS  16           2HB      CYS  16 -12.899   5.395   0.184
  107    HB3  CYS  16           1HB      CYS  16 -12.782   6.549   1.517
  108    H    SER  17           H        SER  17 -11.163   3.585   3.743
  109    HA   SER  17           HA       SER  17 -12.087   4.601   6.211
  110    HB2  SER  17           2HB      SER  17  -9.426   3.521   5.306
  111    HB3  SER  17           1HB      SER  17  -9.682   4.087   6.959
  112    HG   SER  17           HG       SER  17 -10.995   2.447   7.329
  113    H    THR  18           H        THR  18 -10.049   6.033   3.745
  114    HA   THR  18           HA       THR  18  -8.880   8.043   5.394
  115    HB   THR  18           HB       THR  18  -8.164   9.083   3.306
  116    HG1  THR  18           1HG      THR  18  -9.459   8.894   1.698
  117   HG21  THR  18          3HG2      THR  18  -6.974   7.132   2.333
  118   HG22  THR  18          1HG2      THR  18  -8.033   6.050   3.242
  119   HG23  THR  18          2HG2      THR  18  -6.921   7.120   4.094
  120    H    GLY  19           H        GLY  19 -12.026   7.765   3.918
  121    HA2  GLY  19           2HA      GLY  19 -13.868   9.119   4.338
  122    HA3  GLY  19           1HA      GLY  19 -12.800  10.310   5.077
  123    H    CYS  20           H        CYS  20 -12.350   8.940   1.851
  124    HA   CYS  20           HA       CYS  20 -12.290  11.594   0.712
  125    HB2  CYS  20           2HB      CYS  20 -11.663  10.487  -1.373
  126    HB3  CYS  20           1HB      CYS  20 -10.699   9.867  -0.031
  127    H    GLY  21           H        GLY  21 -14.760   9.231   1.182
  128    HA2  GLY  21           2HA      GLY  21 -17.046   9.702   0.863
  129    HA3  GLY  21           1HA      GLY  21 -16.611  10.886  -0.361
  130    H    PHE  22           H        PHE  22 -14.916   8.006  -0.951
  131    HA   PHE  22           HA       PHE  22 -16.958   7.120  -2.892
  132    HB2  PHE  22           2HB      PHE  22 -13.945   7.101  -3.112
  133    HB3  PHE  22           1HB      PHE  22 -15.032   6.310  -4.260
  134    HD1  PHE  22           2HD      PHE  22 -16.839   7.735  -5.388
  135    HD2  PHE  22           1HD      PHE  22 -13.486   9.417  -3.297
  136    HE1  PHE  22           2HE      PHE  22 -17.190   9.888  -6.567
  137    HE2  PHE  22           1HE      PHE  22 -13.830  11.575  -4.480
  138    HZ   PHE  22           HZ       PHE  22 -15.686  11.806  -6.115
  139    H    TYR  23           H        TYR  23 -16.684   4.799  -3.569
  140    HA   TYR  23           HA       TYR  23 -16.861   3.105  -1.280
  141    HB2  TYR  23           2HB      TYR  23 -17.983   2.905  -3.637
  142    HB3  TYR  23           1HB      TYR  23 -16.505   2.041  -4.064
  143    HD1  TYR  23           2HD      TYR  23 -18.799   2.141  -1.068
  144    HD2  TYR  23           1HD      TYR  23 -16.708  -0.257  -3.955
  145    HE1  TYR  23           2HE      TYR  23 -19.677   0.085   0.007
  146    HE2  TYR  23           1HE      TYR  23 -17.585  -2.313  -2.884
  147    HH   TYR  23           HH       TYR  23 -18.505  -2.715  -0.156
  148    H    GLY  24           H        GLY  24 -15.509   1.513  -0.516
  149    HA2  GLY  24           2HA      GLY  24 -12.714   1.541  -1.513
  150    HA3  GLY  24           1HA      GLY  24 -13.165   1.298   0.176
  151    H    ASN  25           H        ASN  25 -11.524  -0.567  -0.910
  152    HA   ASN  25           HA       ASN  25 -13.295  -2.882  -1.460
  153    HB2  ASN  25           2HB      ASN  25 -11.500  -2.060  -3.209
  154    HB3  ASN  25           1HB      ASN  25 -10.386  -2.935  -2.167
  155   HD21  ASN  25          1HD2      ASN  25 -10.145  -5.092  -2.737
  156   HD22  ASN  25          2HD2      ASN  25 -11.324  -6.027  -3.537
  157    HA   PRO  26           HA       PRO  26 -11.570  -4.467   2.338
  158    HB2  PRO  26           2HB      PRO  26 -12.566  -6.986   2.305
  159    HB3  PRO  26           1HB      PRO  26 -13.550  -5.547   2.633
  160    HG2  PRO  26           2HG      PRO  26 -13.366  -7.194   0.177
  161    HG3  PRO  26           1HG      PRO  26 -14.752  -6.328   0.857
  162    HD2  PRO  26           2HD      PRO  26 -13.153  -5.433  -1.267
  163    HD3  PRO  26           1HD      PRO  26 -14.271  -4.432  -0.320
  164    H    ARG  27           H        ARG  27 -10.942  -6.062  -0.746
  165    HA   ARG  27           HA       ARG  27  -8.937  -7.846   0.298
  166    HB2  ARG  27           2HB      ARG  27  -9.353  -6.949  -2.571
  167    HB3  ARG  27           1HB      ARG  27  -8.420  -8.339  -2.026
  168    HG2  ARG  27           2HG      ARG  27 -11.324  -8.107  -1.259
  169    HG3  ARG  27           1HG      ARG  27 -10.893  -8.697  -2.860
  170    HD2  ARG  27           2HD      ARG  27  -9.491 -10.455  -1.833
  171    HD3  ARG  27           1HD      ARG  27  -9.928  -9.863  -0.231
  172    HE   ARG  27           HE       ARG  27 -12.258 -10.472  -1.775
  173   HH11  ARG  27          1HH2      ARG  27  -9.706 -11.996   0.110
  174   HH12  ARG  27          2HH2      ARG  27 -10.663 -13.392   0.460
  175   HH21  ARG  27          1HH1      ARG  27 -13.446 -12.309  -1.281
  176   HH22  ARG  27          2HH1      ARG  27 -12.766 -13.561  -0.294
  177    H    THR  28           H        THR  28  -9.056  -4.573  -1.012
  178    HA   THR  28           HA       THR  28  -6.186  -4.259  -1.197
  179    HB   THR  28           HB       THR  28  -6.699  -1.892  -1.597
  180    HG1  THR  28           1HG      THR  28  -8.627  -1.064  -1.143
  181   HG21  THR  28          3HG2      THR  28  -8.233  -2.129  -3.528
  182   HG22  THR  28          1HG2      THR  28  -8.664  -3.743  -2.966
  183   HG23  THR  28          2HG2      THR  28  -7.014  -3.404  -3.488
  184    H    ASN  29           H        ASN  29  -6.040  -1.673   0.250
  185    HA   ASN  29           HA       ASN  29  -5.727  -2.734   2.949
  186    HB2  ASN  29           2HB      ASN  29  -4.675  -0.416   1.394
  187    HB3  ASN  29           1HB      ASN  29  -4.809  -0.204   3.140
  188   HD21  ASN  29          1HD2      ASN  29  -4.011  -3.254   1.398
  189   HD22  ASN  29          2HD2      ASN  29  -2.460  -3.406   2.088
  190    H    GLY  30           H        GLY  30  -8.504  -2.066   1.823
  191    HA2  GLY  30           2HA      GLY  30 -10.440  -1.351   2.873
  192    HA3  GLY  30           1HA      GLY  30  -9.451  -0.616   4.132
  193    H    MET  31           H        MET  31  -8.383   0.289   1.010
  194    HA   MET  31           HA       MET  31  -9.858   2.848   1.165
  195    HB2  MET  31           2HB      MET  31  -6.976   2.200   0.657
  196    HB3  MET  31           1HB      MET  31  -7.680   3.621  -0.116
  197    HG2  MET  31           2HG      MET  31  -6.759   4.356   1.951
  198    HG3  MET  31           1HG      MET  31  -8.502   4.327   2.180
  199    HE1  MET  31           3HE      MET  31  -5.079   2.820   3.933
  200    HE2  MET  31           1HE      MET  31  -6.095   3.436   5.241
  201    HE3  MET  31           2HE      MET  31  -5.866   4.389   3.778
  202    H    CYS  32           H        CYS  32 -10.042   3.958  -0.923
  203    HA   CYS  32           HA       CYS  32 -11.030   2.212  -2.949
  204    HB2  CYS  32           2HB      CYS  32 -11.758   4.259  -4.069
  205    HB3  CYS  32           1HB      CYS  32 -12.129   4.369  -2.350
  206    H    SER  33           H        SER  33 -10.254   3.743  -5.292
  207    HA   SER  33           HA       SER  33  -7.791   2.400  -5.856
  208    HB2  SER  33           2HB      SER  33  -9.889   3.173  -7.378
  209    HB3  SER  33           1HB      SER  33  -8.744   4.452  -7.765
  210    HG   SER  33           HG       SER  33  -8.541   1.670  -8.137
  211    H    VAL  34           H        VAL  34  -8.651   5.872  -5.598
  212    HA   VAL  34           HA       VAL  34  -6.028   6.813  -6.205
  213    HB   VAL  34           HB       VAL  34  -8.158   8.304  -4.644
  214   HG11  VAL  34          1HG1      VAL  34  -6.981  10.177  -6.145
  215   HG12  VAL  34          2HG1      VAL  34  -5.638   9.033  -6.093
  216   HG13  VAL  34          3HG1      VAL  34  -6.300   9.685  -4.595
  217   HG21  VAL  34          3HG2      VAL  34  -8.866   9.179  -6.889
  218   HG22  VAL  34          1HG2      VAL  34  -9.195   7.459  -6.684
  219   HG23  VAL  34          2HG2      VAL  34  -7.816   7.983  -7.647
  220    H    CYS  35           H        CYS  35  -7.772   6.552  -3.118
  221    HA   CYS  35           HA       CYS  35  -5.700   7.482  -1.463
  222    HB2  CYS  35           2HB      CYS  35  -7.990   5.618  -0.829
  223    HB3  CYS  35           1HB      CYS  35  -6.962   6.388   0.377
  224    H    TYR  36           H        TYR  36  -6.447   4.185  -2.564
  225    HA   TYR  36           HA       TYR  36  -4.751   2.790  -0.830
  226    HB2  TYR  36           2HB      TYR  36  -6.419   1.634  -2.153
  227    HB3  TYR  36           1HB      TYR  36  -5.596   2.080  -3.647
  228    HD1  TYR  36           1HD      TYR  36  -4.359   0.687  -0.363
  229    HD2  TYR  36           2HD      TYR  36  -4.653   0.184  -4.620
  230    HE1  TYR  36           1HE      TYR  36  -2.948  -1.348  -0.221
  231    HE2  TYR  36           2HE      TYR  36  -3.244  -1.852  -4.476
  232    HH   TYR  36           HH       TYR  36  -2.563  -3.424  -1.564
  233    H    LYS  37           H        LYS  37  -4.004   4.124  -4.042
  234    HA   LYS  37           HA       LYS  37  -1.294   3.186  -3.949
  235    HB2  LYS  37           2HB      LYS  37  -0.935   4.522  -5.987
  236    HB3  LYS  37           1HB      LYS  37  -2.364   3.506  -6.118
  237    HG2  LYS  37           2HG      LYS  37  -3.737   5.522  -5.430
  238    HG3  LYS  37           1HG      LYS  37  -2.274   6.489  -5.603
  239    HD2  LYS  37           2HD      LYS  37  -2.106   5.408  -7.956
  240    HD3  LYS  37           1HD      LYS  37  -3.802   4.987  -7.721
  241    HE2  LYS  37           2HE      LYS  37  -4.217   7.433  -7.183
  242    HE3  LYS  37           1HE      LYS  37  -2.572   7.752  -7.731
  243    HZ1  LYS  37           3HZ      LYS  37  -3.077   7.092  -9.887
  244    HZ2  LYS  37           1HZ      LYS  37  -4.442   7.981  -9.423
  245    HZ3  LYS  37           2HZ      LYS  37  -4.499   6.284  -9.430
  246    H    GLU  38           H        GLU  38  -2.868   6.327  -3.415
  247    HA   GLU  38           HA       GLU  38  -0.610   7.897  -3.006
  248    HB2  GLU  38           2HB      GLU  38  -3.338   8.058  -1.716
  249    HB3  GLU  38           1HB      GLU  38  -2.102   9.305  -1.554
  250    HG2  GLU  38           2HG      GLU  38  -2.814   8.354  -4.312
  251    HG3  GLU  38           1HG      GLU  38  -3.925   9.449  -3.485
  252    H    HIS  39           H        HIS  39  -2.206   5.694  -0.677
  253    HA   HIS  39           HA       HIS  39  -0.401   6.622   1.425
  254    HB2  HIS  39           2HB      HIS  39  -1.640   5.395   2.995
  255    HB3  HIS  39           1HB      HIS  39  -2.820   6.076   1.888
  256    HD1  HIS  39           1HD      HIS  39  -4.654   4.438   1.756
  257    HD2  HIS  39           2HD      HIS  39  -0.959   2.514   1.657
  258    HE1  HIS  39           1HE      HIS  39  -5.138   1.966   1.525
  259    HE2  HIS  39           2HE      HIS  39  -2.898   0.781   1.431
  260    H    LEU  40           H        LEU  40  -0.671   3.807  -0.675
  261    HA   LEU  40           HA       LEU  40   1.149   2.119   0.685
  262    HB2  LEU  40           2HB      LEU  40  -0.399   1.537  -1.285
  263    HB3  LEU  40           1HB      LEU  40   0.875   2.199  -2.318
  264    HG   LEU  40           HG       LEU  40   2.475   0.639  -1.006
  265   HD11  LEU  40          1HD1      LEU  40   1.081  -1.496  -0.355
  266   HD12  LEU  40          2HD1      LEU  40  -0.237  -0.341  -0.156
  267   HD13  LEU  40          3HD1      LEU  40   1.237  -0.173   0.801
  268   HD21  LEU  40          3HD2      LEU  40   2.040   0.175  -3.305
  269   HD22  LEU  40          1HD2      LEU  40   0.379  -0.312  -2.967
  270   HD23  LEU  40          2HD2      LEU  40   1.719  -1.337  -2.456
  271    H    GLN  41           H        GLN  41   1.666   4.852  -1.435
  272    HA   GLN  41           HA       GLN  41   4.361   4.362  -2.154
  273    HB2  GLN  41           2HB      GLN  41   2.565   6.193  -2.935
  274    HB3  GLN  41           1HB      GLN  41   3.477   7.185  -1.799
  275    HG2  GLN  41           2HG      GLN  41   4.627   7.500  -3.832
  276    HG3  GLN  41           1HG      GLN  41   5.579   6.254  -3.018
  277   HE21  GLN  41          1HE2      GLN  41   4.581   6.950  -6.018
  278   HE22  GLN  41          2HE2      GLN  41   4.259   5.385  -6.617
  279    H    ARG  42           H        ARG  42   2.936   5.999   0.643
  280    HA   ARG  42           HA       ARG  42   5.471   6.855   1.724
  281    HB2  ARG  42           2HB      ARG  42   3.110   7.868   2.150
  282    HB3  ARG  42           1HB      ARG  42   2.953   6.580   3.342
  283    HG2  ARG  42           2HG      ARG  42   3.912   8.160   4.710
  284    HG3  ARG  42           1HG      ARG  42   5.396   7.481   4.044
  285    HD2  ARG  42           2HD      ARG  42   5.709   9.777   3.718
  286    HD3  ARG  42           1HD      ARG  42   5.074   9.257   2.159
  287    HE   ARG  42           HE       ARG  42   2.974  10.058   3.938
  288   HH11  ARG  42          1HH2      ARG  42   5.426  11.315   1.746
  289   HH12  ARG  42          2HH2      ARG  42   4.587  12.808   1.501
  290   HH21  ARG  42          1HH1      ARG  42   1.931  12.016   3.573
  291   HH22  ARG  42          2HH1      ARG  42   2.632  13.201   2.520
  292    H    GLN  43           H        GLN  43   3.410   4.027   1.999
  293    HA   GLN  43           HA       GLN  43   4.638   2.973   4.371
  294    HB2  GLN  43           2HB      GLN  43   2.309   2.446   3.080
  295    HB3  GLN  43           1HB      GLN  43   3.294   1.125   2.464
  296    HG2  GLN  43           2HG      GLN  43   2.507   0.132   4.389
  297    HG3  GLN  43           1HG      GLN  43   3.961   0.891   5.035
  298   HE21  GLN  43          1HE2      GLN  43   0.628   0.603   5.550
  299   HE22  GLN  43          2HE2      GLN  43   0.406   1.973   6.526
  300    H    GLN  44           H        GLN  44   5.075   2.529   0.883
  301    HA   GLN  44           HA       GLN  44   6.982   0.399   1.137
  302    HB2  GLN  44           2HB      GLN  44   5.476   1.027  -0.891
  303    HB3  GLN  44           1HB      GLN  44   6.770   2.158  -1.287
  304    HG2  GLN  44           2HG      GLN  44   8.400   0.336  -1.306
  305    HG3  GLN  44           1HG      GLN  44   7.157  -0.813  -0.818
  306   HE21  GLN  44          1HE2      GLN  44   5.897  -1.753  -2.464
  307   HE22  GLN  44          2HE2      GLN  44   5.960  -1.273  -4.100
  308    H    ASN  45           H        ASN  45   7.212   3.901   0.565
  309    HA   ASN  45           HA       ASN  45  10.005   4.032   0.175
  310    HB2  ASN  45           2HB      ASN  45   8.240   5.843  -0.240
  311    HB3  ASN  45           1HB      ASN  45   8.386   6.215   1.478
  312   HD21  ASN  45          1HD2      ASN  45   9.785   7.934   1.778
  313   HD22  ASN  45          2HD2      ASN  45  11.214   8.202   0.885
  314    H    SER  46           H        SER  46   8.062   3.937   3.112
  315    HA   SER  46           HA       SER  46  10.302   4.529   4.857
  316    HB2  SER  46           2HB      SER  46   7.537   3.495   5.531
  317    HB3  SER  46           1HB      SER  46   8.709   4.153   6.669
  318    HG   SER  46           HG       SER  46   7.548   5.898   6.183
  319    H    GLY  47           H        GLY  47   8.084   1.722   4.667
  320    HA2  GLY  47           2HA      GLY  47   8.647  -0.549   4.492
  321    HA3  GLY  47           1HA      GLY  47  10.342  -0.127   4.704
  322    H    ARG  48           H        ARG  48  10.571   1.097   7.026
  323    HA   ARG  48           HA       ARG  48   9.117  -0.440   9.072
  324    HB2  ARG  48           2HB      ARG  48  12.103  -0.396   8.651
  325    HB3  ARG  48           1HB      ARG  48  11.409  -0.701  10.244
  326    HG2  ARG  48           2HG      ARG  48  10.082  -2.569   9.288
  327    HG3  ARG  48           1HG      ARG  48  10.840  -2.284   7.720
  328    HD2  ARG  48           2HD      ARG  48  12.156  -3.999   8.648
  329    HD3  ARG  48           1HD      ARG  48  13.082  -2.540   8.985
  330    HE   ARG  48           HE       ARG  48  12.658  -2.835  11.252
  331   HH11  ARG  48          1HH2      ARG  48  10.565  -4.990   9.412
  332   HH12  ARG  48          2HH2      ARG  48  10.031  -5.834  10.822
  333   HH21  ARG  48          1HH1      ARG  48  11.936  -3.987  13.034
  334   HH22  ARG  48          2HH1      ARG  48  10.797  -5.278  12.846
  335    H    MET  49           H        MET  49  11.930   1.767   8.989
  336    HA   MET  49           HA       MET  49  10.617   3.453  11.016
  337    HB2  MET  49           2HB      MET  49  13.476   3.202  10.077
  338    HB3  MET  49           1HB      MET  49  12.933   4.486  11.157
  339    HG2  MET  49           2HG      MET  49  12.007   2.683  12.675
  340    HG3  MET  49           1HG      MET  49  12.832   1.502  11.658
  341    HE1  MET  49           3HE      MET  49  13.071   3.239  14.869
  342    HE2  MET  49           1HE      MET  49  14.593   2.426  15.261
  343    HE3  MET  49           2HE      MET  49  13.258   1.514  14.561
  344    H    SER  50           H        SER  50  10.316   5.667  10.714
  345    HA   SER  50           HA       SER  50  10.409   6.567   7.900
  346    HB2  SER  50           2HB      SER  50   8.683   8.176   8.535
  347    HB3  SER  50           1HB      SER  50   8.181   6.548   8.984
  348    HG   SER  50           HG       SER  50   9.143   8.647  10.611
  349    HA   PRO  51           HA       PRO  51  13.699   9.416   8.838
  350    HB2  PRO  51           2HB      PRO  51  12.266  11.416   7.155
  351    HB3  PRO  51           1HB      PRO  51  13.922  10.795   7.012
  352    HG2  PRO  51           2HG      PRO  51  12.013  10.040   5.328
  353    HG3  PRO  51           1HG      PRO  51  13.262   8.911   5.881
  354    HD2  PRO  51           2HD      PRO  51  10.392   9.105   6.725
  355    HD3  PRO  51           1HD      PRO  51  11.413   7.666   6.517
  356    H    MET  52           H        MET  52  10.713  11.368   8.488
  357    HA   MET  52           HA       MET  52  11.376  12.755  11.008
  358    HB2  MET  52           2HB      MET  52  10.952  14.039   8.841
  359    HB3  MET  52           1HB      MET  52   9.265  13.554   9.003
  360    HG2  MET  52           2HG      MET  52   9.283  14.546  11.321
  361    HG3  MET  52           1HG      MET  52  10.890  15.185  10.970
  362    HE1  MET  52           3HE      MET  52   8.885  18.385  10.806
  363    HE2  MET  52           1HE      MET  52  10.578  17.872  10.842
  364    HE3  MET  52           2HE      MET  52   9.404  17.123  11.920
  365    H    GLY  53           H        GLY  53   8.454  11.595   9.294
  366    HA2  GLY  53           2HA      GLY  53   7.255   9.836  10.803
  367    HA3  GLY  53           1HA      GLY  53   7.108  11.221  11.884
  368    H    THR  54           H        THR  54   6.439  13.298  10.403
  369    HA   THR  54           HA       THR  54   4.281  12.561   8.563
  370    HB   THR  54           HB       THR  54   3.114  12.626  10.680
  371    HG1  THR  54           1HG      THR  54   1.648  13.688   9.661
  372   HG21  THR  54          3HG2      THR  54   4.699  13.876  12.033
  373   HG22  THR  54          1HG2      THR  54   3.148  14.716  12.065
  374   HG23  THR  54          2HG2      THR  54   4.457  15.320  11.049
  375    H    ALA  55           H        ALA  55   3.628  14.256   7.175
  376    HA   ALA  55           HA       ALA  55   5.151  16.771   7.313
  377    HB1  ALA  55           1HB      ALA  55   5.688  16.568   4.888
  378    HB2  ALA  55           2HB      ALA  55   5.065  14.919   4.921
  379    HB3  ALA  55           3HB      ALA  55   6.489  15.342   5.872
  380    H    SER  56           H        SER  56   3.737  18.386   7.167
  381    HA   SER  56           HA       SER  56   1.582  18.269   5.192
  382    HB2  SER  56           2HB      SER  56   0.679  17.367   7.371
  383    HB3  SER  56           1HB      SER  56   1.003  18.947   8.081
  384    HG   SER  56           HG       SER  56  -1.157  18.332   6.938
  385    H    GLY  57           H        GLY  57   2.202  20.009   4.024
  386    HA2  GLY  57           2HA      GLY  57   2.467  22.229   3.473
  387    HA3  GLY  57           1HA      GLY  57   1.835  22.633   5.066
  388    H    SER  58           H        SER  58   4.709  20.705   4.271
  389    HA   SER  58           HA       SER  58   6.333  22.529   5.914
  390    HB2  SER  58           2HB      SER  58   7.182  19.855   4.814
  391    HB3  SER  58           1HB      SER  58   7.861  20.739   6.177
  392    HG   SER  58           HG       SER  58   6.068  18.905   6.317
  393    H    ASN  59           H        ASN  59   6.817  20.608   2.930
  394    HA   ASN  59           HA       ASN  59   8.694  22.652   1.963
  395    HB2  ASN  59           2HB      ASN  59   9.243  20.962   0.210
  396    HB3  ASN  59           1HB      ASN  59   9.534  20.389   1.849
  397   HD21  ASN  59          1HD2      ASN  59   8.165  19.461  -1.072
  398   HD22  ASN  59          2HD2      ASN  59   7.092  18.279  -0.496
  399    H    SER  60           H        SER  60   8.117  24.118   0.500
  400    HA   SER  60           HA       SER  60   6.148  23.507  -1.548
  401    HB2  SER  60           2HB      SER  60   4.913  24.353   0.550
  402    HB3  SER  60           1HB      SER  60   5.642  25.916   0.189
  403    HG   SER  60           HG       SER  60   3.549  25.569  -0.780
  404    HA   PRO  61           HA       PRO  61   9.381  26.439  -3.003
  405    HB2  PRO  61           2HB      PRO  61   9.972  25.226  -5.342
  406    HB3  PRO  61           1HB      PRO  61  10.616  24.639  -3.796
  407    HG2  PRO  61           2HG      PRO  61   8.390  23.571  -5.448
  408    HG3  PRO  61           1HG      PRO  61   9.604  22.708  -4.488
  409    HD2  PRO  61           2HD      PRO  61   6.981  23.219  -3.669
  410    HD3  PRO  61           1HD      PRO  61   8.324  22.795  -2.590
  411    H    THR  62           H        THR  62   9.338  28.019  -4.705
  412    HA   THR  62           HA       THR  62   7.148  27.981  -6.622
  413    HB   THR  62           HB       THR  62   7.336  30.307  -4.712
  414    HG1  THR  62           1HG      THR  62   6.112  29.262  -3.370
  415   HG21  THR  62          3HG2      THR  62   5.168  29.336  -6.593
  416   HG22  THR  62          1HG2      THR  62   6.275  30.670  -6.921
  417   HG23  THR  62          2HG2      THR  62   5.106  30.797  -5.606
  Start of MODEL   17
    1    H1   GLY   1           1HT      GLY   1 -41.368  -3.337   8.544
    2    H2   GLY   1           2HT      GLY   1 -40.124  -3.621   9.667
    3    H3   GLY   1           3HT      GLY   1 -39.838  -2.640   8.309
    4    HA2  GLY   1           2HA      GLY   1 -41.241  -0.930   9.117
    5    HA3  GLY   1           1HA      GLY   1 -41.817  -1.975  10.416
    6    H    SER   2           H        SER   2 -41.100  -0.316  11.912
    7    HA   SER   2           HA       SER   2 -38.216   0.109  12.149
    8    HB2  SER   2           2HB      SER   2 -38.877   1.658  13.988
    9    HB3  SER   2           1HB      SER   2 -39.632   2.056  12.447
   10    HG   SER   2           HG       SER   2 -40.769   0.623  14.622
   11    H    MET   3           H        MET   3 -36.942  -0.782  13.694
   12    HA   MET   3           HA       MET   3 -38.176  -2.264  15.911
   13    HB2  MET   3           2HB      MET   3 -36.338  -3.439  13.825
   14    HB3  MET   3           1HB      MET   3 -36.526  -4.154  15.426
   15    HG2  MET   3           2HG      MET   3 -38.985  -4.290  15.045
   16    HG3  MET   3           1HG      MET   3 -38.742  -3.668  13.412
   17    HE1  MET   3           3HE      MET   3 -40.108  -5.790  12.672
   18    HE2  MET   3           1HE      MET   3 -40.150  -6.443  14.316
   19    HE3  MET   3           2HE      MET   3 -39.622  -7.456  12.974
   20    H    ALA   4           H        ALA   4 -37.212  -1.660  17.735
   21    HA   ALA   4           HA       ALA   4 -34.575  -0.391  17.630
   22    HB1  ALA   4           1HB      ALA   4 -35.052   0.405  19.849
   23    HB2  ALA   4           2HB      ALA   4 -36.424  -0.694  20.004
   24    HB3  ALA   4           3HB      ALA   4 -36.497   0.656  18.870
   25    H    GLN   5           H        GLN   5 -36.186  -3.231  18.979
   26    HA   GLN   5           HA       GLN   5 -33.866  -4.070  20.494
   27    HB2  GLN   5           2HB      GLN   5 -36.399  -4.562  20.950
   28    HB3  GLN   5           1HB      GLN   5 -36.158  -5.881  19.805
   29    HG2  GLN   5           2HG      GLN   5 -34.230  -5.480  22.081
   30    HG3  GLN   5           1HG      GLN   5 -35.749  -6.334  22.344
   31   HE21  GLN   5          1HE2      GLN   5 -32.807  -7.301  22.196
   32   HE22  GLN   5          2HE2      GLN   5 -32.871  -8.592  21.085
   33    H    GLU   6           H        GLU   6 -35.426  -4.918  17.432
   34    HA   GLU   6           HA       GLU   6 -33.733  -7.139  16.823
   35    HB2  GLU   6           2HB      GLU   6 -36.050  -6.446  15.815
   36    HB3  GLU   6           1HB      GLU   6 -35.076  -5.476  14.712
   37    HG2  GLU   6           2HG      GLU   6 -35.406  -7.602  13.652
   38    HG3  GLU   6           1HG      GLU   6 -33.737  -7.572  14.214
   39    H    THR   7           H        THR   7 -32.035  -7.241  15.263
   40    HA   THR   7           HA       THR   7 -30.165  -5.101  15.410
   41    HB   THR   7           HB       THR   7 -30.058  -7.317  13.371
   42    HG1  THR   7           1HG      THR   7 -30.337  -8.525  15.097
   43   HG21  THR   7          3HG2      THR   7 -28.256  -5.801  13.135
   44   HG22  THR   7          1HG2      THR   7 -27.595  -7.125  14.095
   45   HG23  THR   7          2HG2      THR   7 -28.072  -5.620  14.879
   46    H    ASN   8           H        ASN   8 -30.783  -3.194  14.503
   47    HA   ASN   8           HA       ASN   8 -31.918  -3.171  11.802
   48    HB2  ASN   8           2HB      ASN   8 -32.808  -1.765  13.753
   49    HB3  ASN   8           1HB      ASN   8 -31.371  -0.767  13.536
   50   HD21  ASN   8          1HD2      ASN   8 -31.065   0.145  11.251
   51   HD22  ASN   8          2HD2      ASN   8 -32.468   0.523  10.356
   52    H    GLN   9           H        GLN   9 -29.062  -2.075  13.586
   53    HA   GLN   9           HA       GLN   9 -27.859  -0.802  11.288
   54    HB2  GLN   9           2HB      GLN   9 -26.872  -1.483  14.058
   55    HB3  GLN   9           1HB      GLN   9 -25.827  -0.760  12.834
   56    HG2  GLN   9           2HG      GLN   9 -26.655   1.109  13.987
   57    HG3  GLN   9           1HG      GLN   9 -27.720   1.005  12.586
   58   HE21  GLN   9          1HE2      GLN   9 -29.736   1.663  13.396
   59   HE22  GLN   9          2HE2      GLN   9 -30.483   0.982  14.772
   60    H    THR  10           H        THR  10 -26.424  -1.657   9.860
   61    HA   THR  10           HA       THR  10 -25.112  -4.197  10.423
   62    HB   THR  10           HB       THR  10 -27.222  -4.966   9.509
   63    HG1  THR  10           1HG      THR  10 -25.238  -5.068   7.486
   64   HG21  THR  10          3HG2      THR  10 -28.366  -3.896   7.887
   65   HG22  THR  10          1HG2      THR  10 -26.965  -3.893   6.815
   66   HG23  THR  10          2HG2      THR  10 -27.173  -2.602   7.999
   67    HA   PRO  11           HA       PRO  11 -22.343  -1.249   8.179
   68    HB2  PRO  11           2HB      PRO  11 -20.277  -3.120   9.217
   69    HB3  PRO  11           1HB      PRO  11 -20.367  -1.354   9.338
   70    HG2  PRO  11           2HG      PRO  11 -20.827  -2.943  11.434
   71    HG3  PRO  11           1HG      PRO  11 -21.689  -1.412  11.204
   72    HD2  PRO  11           2HD      PRO  11 -22.660  -4.210  10.759
   73    HD3  PRO  11           1HD      PRO  11 -23.545  -2.789  11.354
   74    H    GLY  12           H        GLY  12 -22.821  -1.796   6.064
   75    HA2  GLY  12           2HA      GLY  12 -21.615  -4.282   4.981
   76    HA3  GLY  12           1HA      GLY  12 -23.063  -3.520   4.328
   77    HA   PRO  13           HA       PRO  13 -20.772  -0.995   1.520
   78    HB2  PRO  13           2HB      PRO  13 -21.383   1.608   2.791
   79    HB3  PRO  13           1HB      PRO  13 -21.828   1.002   1.183
   80    HG2  PRO  13           2HG      PRO  13 -23.604   1.278   3.187
   81    HG3  PRO  13           1HG      PRO  13 -23.746   0.024   1.939
   82    HD2  PRO  13           2HD      PRO  13 -22.855  -0.229   4.781
   83    HD3  PRO  13           1HD      PRO  13 -23.753  -1.386   3.768
   84    H    MET  14           H        MET  14 -18.626  -1.507   1.907
   85    HA   MET  14           HA       MET  14 -17.115  -0.437   4.093
   86    HB2  MET  14           2HB      MET  14 -16.584  -2.169   1.730
   87    HB3  MET  14           1HB      MET  14 -15.196  -1.306   2.390
   88    HG2  MET  14           2HG      MET  14 -17.059  -2.814   4.217
   89    HG3  MET  14           1HG      MET  14 -15.784  -3.666   3.349
   90    HE1  MET  14           3HE      MET  14 -16.734  -2.944   6.269
   91    HE2  MET  14           1HE      MET  14 -16.423  -1.225   6.552
   92    HE3  MET  14           2HE      MET  14 -15.392  -2.445   7.297
   93    H    LEU  15           H        LEU  15 -17.523   1.830   3.876
   94    HA   LEU  15           HA       LEU  15 -16.688   3.272   1.537
   95    HB2  LEU  15           2HB      LEU  15 -17.927   3.883   4.135
   96    HB3  LEU  15           1HB      LEU  15 -16.811   5.135   3.596
   97    HG   LEU  15           HG       LEU  15 -17.999   5.201   1.398
   98   HD11  LEU  15          1HD1      LEU  15 -20.088   3.472   2.744
   99   HD12  LEU  15          2HD1      LEU  15 -18.895   2.826   1.617
  100   HD13  LEU  15          3HD1      LEU  15 -20.065   4.028   1.070
  101   HD21  LEU  15          3HD2      LEU  15 -19.895   6.439   2.192
  102   HD22  LEU  15          1HD2      LEU  15 -18.610   6.670   3.379
  103   HD23  LEU  15          2HD2      LEU  15 -19.924   5.537   3.706
  104    H    CYS  16           H        CYS  16 -14.871   4.563   1.256
  105    HA   CYS  16           HA       CYS  16 -12.397   3.606   1.959
  106    HB2  CYS  16           2HB      CYS  16 -13.026   5.441   0.266
  107    HB3  CYS  16           1HB      CYS  16 -12.840   6.563   1.618
  108    H    SER  17           H        SER  17 -11.075   3.638   3.663
  109    HA   SER  17           HA       SER  17 -11.928   4.498   6.212
  110    HB2  SER  17           2HB      SER  17  -9.666   3.103   5.116
  111    HB3  SER  17           1HB      SER  17  -9.097   4.296   6.283
  112    HG   SER  17           HG       SER  17  -9.687   2.297   7.257
  113    H    THR  18           H        THR  18 -10.019   6.119   3.727
  114    HA   THR  18           HA       THR  18  -9.135   8.274   5.408
  115    HB   THR  18           HB       THR  18  -8.526   9.397   3.302
  116    HG1  THR  18           1HG      THR  18  -9.745   8.916   1.685
  117   HG21  THR  18          3HG2      THR  18  -6.895   7.763   2.533
  118   HG22  THR  18          1HG2      THR  18  -7.822   6.451   3.262
  119   HG23  THR  18          2HG2      THR  18  -7.040   7.656   4.287
  120    H    GLY  19           H        GLY  19 -12.195   7.514   4.013
  121    HA2  GLY  19           2HA      GLY  19 -14.196   8.624   4.156
  122    HA3  GLY  19           1HA      GLY  19 -13.364   9.922   5.014
  123    H    CYS  20           H        CYS  20 -12.727   8.643   1.737
  124    HA   CYS  20           HA       CYS  20 -12.733  11.346   0.700
  125    HB2  CYS  20           2HB      CYS  20 -12.056  10.344  -1.436
  126    HB3  CYS  20           1HB      CYS  20 -11.053   9.758  -0.111
  127    H    GLY  21           H        GLY  21 -15.137   8.902   1.050
  128    HA2  GLY  21           2HA      GLY  21 -17.436   9.321   0.674
  129    HA3  GLY  21           1HA      GLY  21 -17.000  10.533  -0.525
  130    H    PHE  22           H        PHE  22 -15.136   7.831  -1.153
  131    HA   PHE  22           HA       PHE  22 -16.966   6.932  -3.261
  132    HB2  PHE  22           2HB      PHE  22 -13.958   6.825  -2.945
  133    HB3  PHE  22           1HB      PHE  22 -14.805   5.941  -4.210
  134    HD1  PHE  22           2HD      PHE  22 -14.499   9.382  -2.755
  135    HD2  PHE  22           1HD      PHE  22 -15.308   6.995  -6.236
  136    HE1  PHE  22           2HE      PHE  22 -14.585  11.437  -4.144
  137    HE2  PHE  22           1HE      PHE  22 -15.388   9.047  -7.626
  138    HZ   PHE  22           HZ       PHE  22 -15.025  11.266  -6.579
  139    H    TYR  23           H        TYR  23 -15.900   4.442  -3.795
  140    HA   TYR  23           HA       TYR  23 -16.741   2.924  -1.414
  141    HB2  TYR  23           2HB      TYR  23 -17.743   2.677  -3.835
  142    HB3  TYR  23           1HB      TYR  23 -16.316   1.674  -4.107
  143    HD1  TYR  23           2HD      TYR  23 -18.812   2.178  -1.333
  144    HD2  TYR  23           1HD      TYR  23 -16.664  -0.597  -3.808
  145    HE1  TYR  23           2HE      TYR  23 -19.914   0.294  -0.168
  146    HE2  TYR  23           1HE      TYR  23 -17.771  -2.488  -2.646
  147    HH   TYR  23           HH       TYR  23 -19.000  -2.489   0.086
  148    H    GLY  24           H        GLY  24 -15.454   1.359  -0.460
  149    HA2  GLY  24           2HA      GLY  24 -12.620   1.339  -1.330
  150    HA3  GLY  24           1HA      GLY  24 -13.176   1.055   0.321
  151    H    ASN  25           H        ASN  25 -11.421  -0.709  -0.909
  152    HA   ASN  25           HA       ASN  25 -13.100  -3.088  -1.479
  153    HB2  ASN  25           2HB      ASN  25 -11.484  -2.128  -3.276
  154    HB3  ASN  25           1HB      ASN  25 -10.220  -2.826  -2.276
  155   HD21  ASN  25          1HD2      ASN  25 -11.740  -3.560  -5.000
  156   HD22  ASN  25          2HD2      ASN  25 -11.918  -5.250  -4.832
  157    HA   PRO  26           HA       PRO  26 -11.157  -4.453   2.384
  158    HB2  PRO  26           2HB      PRO  26 -12.368  -7.080   1.969
  159    HB3  PRO  26           1HB      PRO  26 -12.668  -5.876   3.233
  160    HG2  PRO  26           2HG      PRO  26 -14.439  -6.486   1.257
  161    HG3  PRO  26           1HG      PRO  26 -14.393  -4.932   2.108
  162    HD2  PRO  26           2HD      PRO  26 -13.398  -5.612  -0.632
  163    HD3  PRO  26           1HD      PRO  26 -14.098  -4.094  -0.028
  164    H    ARG  27           H        ARG  27 -10.722  -5.864  -0.768
  165    HA   ARG  27           HA       ARG  27  -8.741  -7.811   0.028
  166    HB2  ARG  27           2HB      ARG  27  -9.794  -6.743  -2.575
  167    HB3  ARG  27           1HB      ARG  27  -8.243  -7.584  -2.561
  168    HG2  ARG  27           2HG      ARG  27  -9.855  -9.276  -2.984
  169    HG3  ARG  27           1HG      ARG  27  -9.438  -9.454  -1.280
  170    HD2  ARG  27           2HD      ARG  27 -11.466  -8.574  -0.552
  171    HD3  ARG  27           1HD      ARG  27 -11.722  -7.664  -2.037
  172    HE   ARG  27           HE       ARG  27 -11.752 -10.475  -2.547
  173   HH11  ARG  27          1HH2      ARG  27 -13.718  -7.918  -1.144
  174   HH12  ARG  27          2HH2      ARG  27 -15.207  -8.677  -1.588
  175   HH21  ARG  27          1HH1      ARG  27 -13.719 -11.417  -3.090
  176   HH22  ARG  27          2HH1      ARG  27 -15.211 -10.632  -2.687
  177    H    THR  28           H        THR  28  -8.857  -4.476  -1.105
  178    HA   THR  28           HA       THR  28  -6.003  -4.186  -1.416
  179    HB   THR  28           HB       THR  28  -6.473  -1.803  -1.679
  180    HG1  THR  28           1HG      THR  28  -9.031  -2.503  -0.680
  181   HG21  THR  28          3HG2      THR  28  -6.978  -2.721  -3.721
  182   HG22  THR  28          1HG2      THR  28  -8.569  -2.082  -3.311
  183   HG23  THR  28          2HG2      THR  28  -8.216  -3.789  -3.061
  184    H    ASN  29           H        ASN  29  -5.710  -1.702   0.155
  185    HA   ASN  29           HA       ASN  29  -5.297  -2.954   2.768
  186    HB2  ASN  29           2HB      ASN  29  -4.344  -0.307   1.661
  187    HB3  ASN  29           1HB      ASN  29  -3.958  -0.925   3.266
  188   HD21  ASN  29          1HD2      ASN  29  -1.649  -0.794   2.398
  189   HD22  ASN  29          2HD2      ASN  29  -1.062  -2.121   1.497
  190    H    GLY  30           H        GLY  30  -8.052  -2.096   1.861
  191    HA2  GLY  30           2HA      GLY  30  -9.857  -1.465   3.193
  192    HA3  GLY  30           1HA      GLY  30  -8.744  -0.652   4.288
  193    H    MET  31           H        MET  31  -8.059   0.205   1.057
  194    HA   MET  31           HA       MET  31  -9.740   2.629   1.269
  195    HB2  MET  31           2HB      MET  31  -6.820   2.341   0.597
  196    HB3  MET  31           1HB      MET  31  -7.749   3.753   0.087
  197    HG2  MET  31           2HG      MET  31  -6.916   4.439   2.158
  198    HG3  MET  31           1HG      MET  31  -8.511   3.837   2.594
  199    HE1  MET  31           3HE      MET  31  -5.556   4.412   3.630
  200    HE2  MET  31           1HE      MET  31  -4.666   3.024   4.268
  201    HE3  MET  31           2HE      MET  31  -6.013   3.703   5.176
  202    H    CYS  32           H        CYS  32  -9.984   3.774  -0.825
  203    HA   CYS  32           HA       CYS  32 -10.943   1.966  -2.813
  204    HB2  CYS  32           2HB      CYS  32 -11.781   3.957  -3.932
  205    HB3  CYS  32           1HB      CYS  32 -12.080   4.092  -2.208
  206    H    SER  33           H        SER  33 -10.272   3.558  -5.197
  207    HA   SER  33           HA       SER  33  -7.800   2.249  -5.835
  208    HB2  SER  33           2HB      SER  33  -8.304   3.853  -7.992
  209    HB3  SER  33           1HB      SER  33  -8.980   2.252  -7.742
  210    HG   SER  33           HG       SER  33 -10.226   4.636  -7.803
  211    H    VAL  34           H        VAL  34  -8.763   5.708  -5.699
  212    HA   VAL  34           HA       VAL  34  -6.178   6.706  -6.283
  213    HB   VAL  34           HB       VAL  34  -8.240   8.241  -4.702
  214   HG11  VAL  34          1HG1      VAL  34  -6.008   8.889  -6.619
  215   HG12  VAL  34          2HG1      VAL  34  -6.264   9.491  -4.981
  216   HG13  VAL  34          3HG1      VAL  34  -7.300  10.046  -6.297
  217   HG21  VAL  34          3HG2      VAL  34  -8.284   7.479  -7.626
  218   HG22  VAL  34          1HG2      VAL  34  -9.022   8.981  -7.069
  219   HG23  VAL  34          2HG2      VAL  34  -9.604   7.434  -6.457
  220    H    CYS  35           H        CYS  35  -7.918   6.672  -3.152
  221    HA   CYS  35           HA       CYS  35  -5.868   7.719  -1.573
  222    HB2  CYS  35           2HB      CYS  35  -8.047   5.775  -0.784
  223    HB3  CYS  35           1HB      CYS  35  -7.080   6.730   0.337
  224    H    TYR  36           H        TYR  36  -6.521   4.349  -2.462
  225    HA   TYR  36           HA       TYR  36  -4.807   3.064  -0.672
  226    HB2  TYR  36           2HB      TYR  36  -6.404   1.820  -1.959
  227    HB3  TYR  36           1HB      TYR  36  -5.650   2.305  -3.473
  228    HD1  TYR  36           1HD      TYR  36  -3.692   1.256  -0.471
  229    HD2  TYR  36           2HD      TYR  36  -5.288   0.079  -4.282
  230    HE1  TYR  36           1HE      TYR  36  -2.290  -0.787  -0.428
  231    HE2  TYR  36           2HE      TYR  36  -3.899  -1.968  -4.232
  232    HH   TYR  36           HH       TYR  36  -2.780  -3.401  -2.567
  233    H    LYS  37           H        LYS  37  -4.090   4.505  -3.802
  234    HA   LYS  37           HA       LYS  37  -1.353   3.615  -3.855
  235    HB2  LYS  37           2HB      LYS  37  -2.814   4.208  -5.865
  236    HB3  LYS  37           1HB      LYS  37  -2.525   5.897  -5.445
  237    HG2  LYS  37           2HG      LYS  37   0.006   5.120  -5.391
  238    HG3  LYS  37           1HG      LYS  37  -0.590   3.825  -6.431
  239    HD2  LYS  37           2HD      LYS  37  -0.110   5.405  -8.051
  240    HD3  LYS  37           1HD      LYS  37  -1.771   5.870  -7.688
  241    HE2  LYS  37           2HE      LYS  37  -0.709   7.405  -5.875
  242    HE3  LYS  37           1HE      LYS  37   0.788   7.169  -6.773
  243    HZ1  LYS  37           3HZ      LYS  37  -1.716   8.452  -7.661
  244    HZ2  LYS  37           1HZ      LYS  37  -0.624   7.821  -8.797
  245    HZ3  LYS  37           2HZ      LYS  37  -0.126   9.048  -7.733
  246    H    GLU  38           H        GLU  38  -3.020   6.669  -3.155
  247    HA   GLU  38           HA       GLU  38  -0.840   8.329  -2.728
  248    HB2  GLU  38           2HB      GLU  38  -3.629   8.302  -1.621
  249    HB3  GLU  38           1HB      GLU  38  -2.469   9.514  -1.082
  250    HG2  GLU  38           2HG      GLU  38  -2.816   9.013  -4.028
  251    HG3  GLU  38           1HG      GLU  38  -3.994  10.010  -3.171
  252    H    HIS  39           H        HIS  39  -2.339   6.075  -0.395
  253    HA   HIS  39           HA       HIS  39  -0.515   7.030   1.681
  254    HB2  HIS  39           2HB      HIS  39  -1.702   5.771   3.256
  255    HB3  HIS  39           1HB      HIS  39  -2.930   6.359   2.148
  256    HD1  HIS  39           1HD      HIS  39  -4.589   4.612   1.581
  257    HD2  HIS  39           2HD      HIS  39  -0.857   2.929   2.349
  258    HE1  HIS  39           1HE      HIS  39  -4.876   2.104   1.402
  259    HE2  HIS  39           2HE      HIS  39  -2.617   1.064   1.888
  260    H    LEU  40           H        LEU  40  -0.767   4.312  -0.499
  261    HA   LEU  40           HA       LEU  40   1.103   2.576   0.705
  262    HB2  LEU  40           2HB      LEU  40  -0.461   2.021  -1.196
  263    HB3  LEU  40           1HB      LEU  40   0.627   2.913  -2.263
  264    HG   LEU  40           HG       LEU  40   2.491   1.404  -1.499
  265   HD11  LEU  40          1HD1      LEU  40   1.645  -0.810  -0.510
  266   HD12  LEU  40          2HD1      LEU  40   0.169   0.066  -0.103
  267   HD13  LEU  40          3HD1      LEU  40   1.713   0.570   0.586
  268   HD21  LEU  40          3HD2      LEU  40   0.991   1.071  -3.576
  269   HD22  LEU  40          1HD2      LEU  40   0.200  -0.201  -2.646
  270   HD23  LEU  40          2HD2      LEU  40   1.920  -0.322  -3.025
  271    H    GLN  41           H        GLN  41   1.545   5.436  -1.288
  272    HA   GLN  41           HA       GLN  41   4.186   5.076  -2.163
  273    HB2  GLN  41           2HB      GLN  41   2.519   6.968  -2.718
  274    HB3  GLN  41           1HB      GLN  41   3.164   7.762  -1.281
  275    HG2  GLN  41           2HG      GLN  41   5.494   7.258  -2.317
  276    HG3  GLN  41           1HG      GLN  41   4.603   7.015  -3.823
  277   HE21  GLN  41          1HE2      GLN  41   4.223   8.877  -5.029
  278   HE22  GLN  41          2HE2      GLN  41   4.291  10.466  -4.410
  279    H    ARG  42           H        ARG  42   2.965   6.245   0.936
  280    HA   ARG  42           HA       ARG  42   5.577   6.901   1.968
  281    HB2  ARG  42           2HB      ARG  42   2.842   6.717   3.232
  282    HB3  ARG  42           1HB      ARG  42   4.292   7.136   4.143
  283    HG2  ARG  42           2HG      ARG  42   3.522   8.614   1.623
  284    HG3  ARG  42           1HG      ARG  42   2.898   9.089   3.202
  285    HD2  ARG  42           2HD      ARG  42   5.854   8.773   2.633
  286    HD3  ARG  42           1HD      ARG  42   5.007  10.302   2.456
  287    HE   ARG  42           HE       ARG  42   5.670   8.949   4.947
  288   HH11  ARG  42          1HH2      ARG  42   3.734  11.475   3.429
  289   HH12  ARG  42          2HH2      ARG  42   3.535  12.341   4.908
  290   HH21  ARG  42          1HH1      ARG  42   5.365  10.126   6.825
  291   HH22  ARG  42          2HH1      ARG  42   4.441  11.591   6.805
  292    H    GLN  43           H        GLN  43   3.504   4.077   1.981
  293    HA   GLN  43           HA       GLN  43   4.930   2.764   4.133
  294    HB2  GLN  43           2HB      GLN  43   2.687   1.997   2.293
  295    HB3  GLN  43           1HB      GLN  43   3.533   0.750   3.207
  296    HG2  GLN  43           2HG      GLN  43   3.145   2.407   5.230
  297    HG3  GLN  43           1HG      GLN  43   1.845   3.021   4.212
  298   HE21  GLN  43          1HE2      GLN  43  -0.029   2.111   5.113
  299   HE22  GLN  43          2HE2      GLN  43  -0.234   0.454   5.426
  300    H    GLN  44           H        GLN  44   5.008   2.762   0.606
  301    HA   GLN  44           HA       GLN  44   6.671   0.433   0.397
  302    HB2  GLN  44           2HB      GLN  44   6.888   1.024  -1.966
  303    HB3  GLN  44           1HB      GLN  44   5.207   1.128  -1.455
  304    HG2  GLN  44           2HG      GLN  44   5.426   3.578  -1.215
  305    HG3  GLN  44           1HG      GLN  44   7.114   3.475  -1.704
  306   HE21  GLN  44          1HE2      GLN  44   7.511   3.672  -3.907
  307   HE22  GLN  44          2HE2      GLN  44   6.332   3.494  -5.127
  308    H    ASN  45           H        ASN  45   7.282   3.824   0.919
  309    HA   ASN  45           HA       ASN  45   9.943   3.988  -0.006
  310    HB2  ASN  45           2HB      ASN  45   8.224   5.808   0.912
  311    HB3  ASN  45           1HB      ASN  45   9.110   5.543   2.411
  312   HD21  ASN  45          1HD2      ASN  45  11.625   5.643   2.108
  313   HD22  ASN  45          2HD2      ASN  45  12.200   6.847   1.047
  314    H    SER  46           H        SER  46   8.585   2.975   3.103
  315    HA   SER  46           HA       SER  46  11.275   2.410   4.149
  316    HB2  SER  46           2HB      SER  46  10.091   1.993   6.284
  317    HB3  SER  46           1HB      SER  46   9.742   3.598   5.647
  318    HG   SER  46           HG       SER  46   7.749   2.935   5.895
  319    H    GLY  47           H        GLY  47   8.155   0.826   3.491
  320    HA2  GLY  47           2HA      GLY  47   7.642  -1.360   2.979
  321    HA3  GLY  47           1HA      GLY  47   9.363  -1.631   2.704
  322    H    ARG  48           H        ARG  48   7.687  -0.562   5.648
  323    HA   ARG  48           HA       ARG  48   9.174  -2.394   7.282
  324    HB2  ARG  48           2HB      ARG  48   6.980  -0.406   7.807
  325    HB3  ARG  48           1HB      ARG  48   7.537  -1.507   9.069
  326    HG2  ARG  48           2HG      ARG  48   9.534   0.088   7.485
  327    HG3  ARG  48           1HG      ARG  48   8.683   0.836   8.836
  328    HD2  ARG  48           2HD      ARG  48   9.399  -1.155  10.240
  329    HD3  ARG  48           1HD      ARG  48  10.444  -1.624   8.903
  330    HE   ARG  48           HE       ARG  48  10.981   1.067   9.530
  331   HH11  ARG  48          1HH2      ARG  48  11.350  -2.110  10.999
  332   HH12  ARG  48          2HH2      ARG  48  12.735  -1.632  11.917
  333   HH21  ARG  48          1HH1      ARG  48  12.776   1.619  10.745
  334   HH22  ARG  48          2HH1      ARG  48  13.534   0.452  11.776
  335    H    MET  49           H        MET  49   8.521  -4.229   8.313
  336    HA   MET  49           HA       MET  49   5.845  -5.301   7.624
  337    HB2  MET  49           2HB      MET  49   6.906  -7.563   7.644
  338    HB3  MET  49           1HB      MET  49   7.498  -6.529   6.348
  339    HG2  MET  49           2HG      MET  49   8.984  -6.467   8.948
  340    HG3  MET  49           1HG      MET  49   9.165  -7.907   7.947
  341    HE1  MET  49           3HE      MET  49  12.440  -6.250   7.223
  342    HE2  MET  49           1HE      MET  49  11.491  -7.242   8.339
  343    HE3  MET  49           2HE      MET  49  11.665  -5.511   8.621
  344    H    SER  50           H        SER  50   6.577  -3.755   9.975
  345    HA   SER  50           HA       SER  50   5.584  -5.553  11.997
  346    HB2  SER  50           2HB      SER  50   8.054  -6.008  11.984
  347    HB3  SER  50           1HB      SER  50   8.312  -4.323  12.425
  348    HG   SER  50           HG       SER  50   8.136  -5.980  14.172
  349    HA   PRO  51           HA       PRO  51   4.164  -1.527  13.336
  350    HB2  PRO  51           2HB      PRO  51   2.896  -2.200  15.627
  351    HB3  PRO  51           1HB      PRO  51   2.278  -2.684  14.036
  352    HG2  PRO  51           2HG      PRO  51   3.734  -4.285  16.066
  353    HG3  PRO  51           1HG      PRO  51   2.434  -4.766  14.967
  354    HD2  PRO  51           2HD      PRO  51   5.155  -5.275  14.566
  355    HD3  PRO  51           1HD      PRO  51   3.903  -5.342  13.311
  356    H    MET  52           H        MET  52   6.084  -0.395  13.793
  357    HA   MET  52           HA       MET  52   7.264  -0.734  16.477
  358    HB2  MET  52           2HB      MET  52   8.286   0.465  13.908
  359    HB3  MET  52           1HB      MET  52   9.073   0.778  15.457
  360    HG2  MET  52           2HG      MET  52   8.463  -2.028  14.519
  361    HG3  MET  52           1HG      MET  52   9.966  -1.211  14.093
  362    HE1  MET  52           3HE      MET  52   9.449  -3.863  17.358
  363    HE2  MET  52           1HE      MET  52   8.632  -3.643  15.804
  364    HE3  MET  52           2HE      MET  52   7.970  -2.911  17.263
  365    H    GLY  53           H        GLY  53   6.252   1.845  14.216
  366    HA2  GLY  53           2HA      GLY  53   5.191   3.856  14.632
  367    HA3  GLY  53           1HA      GLY  53   4.982   3.349  16.304
  368    H    THR  54           H        THR  54   8.064   3.563  14.583
  369    HA   THR  54           HA       THR  54   9.020   5.465  16.608
  370    HB   THR  54           HB       THR  54  10.683   4.121  14.481
  371    HG1  THR  54           1HG      THR  54  10.457   2.326  15.514
  372   HG21  THR  54          3HG2      THR  54  11.678   5.992  15.764
  373   HG22  THR  54          1HG2      THR  54  12.467   4.458  16.134
  374   HG23  THR  54          2HG2      THR  54  11.304   5.146  17.267
  375    H    ALA  55           H        ALA  55   8.982   7.569  16.150
  376    HA   ALA  55           HA       ALA  55   8.766   8.469  13.380
  377    HB1  ALA  55           1HB      ALA  55   8.463   9.805  16.061
  378    HB2  ALA  55           2HB      ALA  55   7.256   9.596  14.792
  379    HB3  ALA  55           3HB      ALA  55   8.574  10.748  14.575
  380    H    SER  56           H        SER  56  10.704   8.455  12.356
  381    HA   SER  56           HA       SER  56  12.805  10.193  13.437
  382    HB2  SER  56           2HB      SER  56  13.383   7.892  14.160
  383    HB3  SER  56           1HB      SER  56  13.342   7.371  12.479
  384    HG   SER  56           HG       SER  56  15.450   8.016  13.404
  385    H    GLY  57           H        GLY  57  12.704  11.700  11.844
  386    HA2  GLY  57           2HA      GLY  57  13.233  12.632   9.797
  387    HA3  GLY  57           1HA      GLY  57  13.764  11.043   9.257
  388    H    SER  58           H        SER  58  10.578  12.070  10.471
  389    HA   SER  58           HA       SER  58   9.284  10.822   8.182
  390    HB2  SER  58           2HB      SER  58   7.192  11.431   9.382
  391    HB3  SER  58           1HB      SER  58   8.298  10.495  10.382
  392    HG   SER  58           HG       SER  58   7.344  12.466  11.330
  393    H    ASN  59           H        ASN  59   9.342  14.061   9.687
  394    HA   ASN  59           HA       ASN  59   8.083  15.250   7.348
  395    HB2  ASN  59           2HB      ASN  59   7.653  15.920   9.786
  396    HB3  ASN  59           1HB      ASN  59   9.221  16.722   9.720
  397   HD21  ASN  59          1HD2      ASN  59   9.473  18.422   7.963
  398   HD22  ASN  59          2HD2      ASN  59   8.092  19.276   7.466
  399    H    SER  60           H        SER  60   9.324  15.594   5.606
  400    HA   SER  60           HA       SER  60  12.176  16.121   5.867
  401    HB2  SER  60           2HB      SER  60  12.055  16.178   3.342
  402    HB3  SER  60           1HB      SER  60  11.550  14.658   4.075
  403    HG   SER  60           HG       SER  60  10.073  16.606   2.752
  404    HA   PRO  61           HA       PRO  61  11.816  20.522   5.517
  405    HB2  PRO  61           2HB      PRO  61  14.085  21.231   4.191
  406    HB3  PRO  61           1HB      PRO  61  14.098  20.625   5.859
  407    HG2  PRO  61           2HG      PRO  61  14.753  19.214   3.326
  408    HG3  PRO  61           1HG      PRO  61  15.513  19.090   4.921
  409    HD2  PRO  61           2HD      PRO  61  13.696  17.256   3.927
  410    HD3  PRO  61           1HD      PRO  61  14.005  17.517   5.657
  411    H    THR  62           H        THR  62  12.170  22.400   3.785
  412    HA   THR  62           HA       THR  62  11.234  21.536   1.124
  413    HB   THR  62           HB       THR  62   9.616  23.503   1.213
  414    HG1  THR  62           1HG      THR  62  10.163  24.616   2.968
  415   HG21  THR  62          3HG2      THR  62   8.967  21.092   1.418
  416   HG22  THR  62          1HG2      THR  62   7.892  22.182   2.292
  417   HG23  THR  62          2HG2      THR  62   9.104  21.248   3.169
  Start of MODEL   18
    1    H1   GLY   1           1HT      GLY   1 -26.812 -12.053 -20.840
    2    H2   GLY   1           2HT      GLY   1 -27.167 -12.269 -19.193
    3    H3   GLY   1           3HT      GLY   1 -26.527 -10.794 -19.740
    4    HA2  GLY   1           2HA      GLY   1 -28.568 -10.528 -21.140
    5    HA3  GLY   1           1HA      GLY   1 -29.228 -11.901 -20.249
    6    H    SER   2           H        SER   2 -30.882 -10.427 -19.457
    7    HA   SER   2           HA       SER   2 -30.012  -8.341 -17.596
    8    HB2  SER   2           2HB      SER   2 -32.761  -9.167 -18.552
    9    HB3  SER   2           1HB      SER   2 -32.441  -7.831 -17.449
   10    HG   SER   2           HG       SER   2 -31.934  -6.675 -19.117
   11    H    MET   3           H        MET   3 -29.248  -9.331 -15.771
   12    HA   MET   3           HA       MET   3 -31.229 -10.577 -14.047
   13    HB2  MET   3           2HB      MET   3 -28.812 -12.059 -15.083
   14    HB3  MET   3           1HB      MET   3 -29.592 -12.494 -13.563
   15    HG2  MET   3           2HG      MET   3 -31.776 -12.643 -14.852
   16    HG3  MET   3           1HG      MET   3 -30.823 -12.493 -16.329
   17    HE1  MET   3           3HE      MET   3 -31.083 -16.105 -16.965
   18    HE2  MET   3           1HE      MET   3 -31.011 -14.437 -17.550
   19    HE3  MET   3           2HE      MET   3 -32.374 -14.971 -16.571
   20    H    ALA   4           H        ALA   4 -29.661  -8.102 -14.052
   21    HA   ALA   4           HA       ALA   4 -27.939  -8.518 -11.679
   22    HB1  ALA   4           1HB      ALA   4 -27.877  -6.494 -13.912
   23    HB2  ALA   4           2HB      ALA   4 -26.591  -7.567 -13.360
   24    HB3  ALA   4           3HB      ALA   4 -27.070  -6.187 -12.374
   25    H    GLN   5           H        GLN   5 -30.830  -8.347 -11.547
   26    HA   GLN   5           HA       GLN   5 -31.082  -5.884  -9.929
   27    HB2  GLN   5           2HB      GLN   5 -33.090  -6.999 -11.900
   28    HB3  GLN   5           1HB      GLN   5 -33.468  -5.754 -10.708
   29    HG2  GLN   5           2HG      GLN   5 -31.962  -4.203 -11.690
   30    HG3  GLN   5           1HG      GLN   5 -31.163  -5.458 -12.636
   31   HE21  GLN   5          1HE2      GLN   5 -33.420  -2.976 -12.882
   32   HE22  GLN   5          2HE2      GLN   5 -34.247  -3.520 -14.272
   33    H    GLU   6           H        GLU   6 -30.375  -8.487  -9.029
   34    HA   GLU   6           HA       GLU   6 -32.806  -9.525  -7.736
   35    HB2  GLU   6           2HB      GLU   6 -31.015 -10.993  -8.912
   36    HB3  GLU   6           1HB      GLU   6 -30.051 -10.702  -7.465
   37    HG2  GLU   6           2HG      GLU   6 -31.722 -11.685  -6.050
   38    HG3  GLU   6           1HG      GLU   6 -32.891 -11.739  -7.368
   39    H    THR   7           H        THR   7 -29.466  -8.580  -6.881
   40    HA   THR   7           HA       THR   7 -30.226  -8.292  -4.075
   41    HB   THR   7           HB       THR   7 -27.526  -7.681  -5.264
   42    HG1  THR   7           1HG      THR   7 -27.561  -9.694  -5.863
   43   HG21  THR   7          3HG2      THR   7 -28.539  -8.583  -2.557
   44   HG22  THR   7          1HG2      THR   7 -27.786  -7.039  -2.956
   45   HG23  THR   7          2HG2      THR   7 -26.829  -8.520  -2.989
   46    H    ASN   8           H        ASN   8 -30.340  -6.379  -2.981
   47    HA   ASN   8           HA       ASN   8 -29.838  -3.877  -4.478
   48    HB2  ASN   8           2HB      ASN   8 -32.321  -4.568  -4.270
   49    HB3  ASN   8           1HB      ASN   8 -32.143  -4.177  -2.560
   50   HD21  ASN   8          1HD2      ASN   8 -33.000  -2.837  -5.520
   51   HD22  ASN   8          2HD2      ASN   8 -32.724  -1.195  -5.151
   52    H    GLN   9           H        GLN   9 -30.525  -5.285  -1.273
   53    HA   GLN   9           HA       GLN   9 -28.999  -3.160   0.035
   54    HB2  GLN   9           2HB      GLN   9 -31.221  -4.102   0.914
   55    HB3  GLN   9           1HB      GLN   9 -30.298  -5.532   1.374
   56    HG2  GLN   9           2HG      GLN   9 -29.006  -4.359   2.933
   57    HG3  GLN   9           1HG      GLN   9 -29.341  -2.799   2.183
   58   HE21  GLN   9          1HE2      GLN   9 -31.766  -2.123   2.297
   59   HE22  GLN   9          2HE2      GLN   9 -32.592  -2.506   3.740
   60    H    THR  10           H        THR  10 -27.038  -3.448   1.001
   61    HA   THR  10           HA       THR  10 -25.881  -6.113   1.248
   62    HB   THR  10           HB       THR  10 -24.409  -4.011  -0.344
   63    HG1  THR  10           1HG      THR  10 -25.451  -4.647  -2.039
   64   HG21  THR  10          3HG2      THR  10 -23.148  -5.857   0.821
   65   HG22  THR  10          1HG2      THR  10 -22.963  -5.853  -0.932
   66   HG23  THR  10          2HG2      THR  10 -24.048  -7.012  -0.163
   67    HA   PRO  11           HA       PRO  11 -24.886  -3.308   4.787
   68    HB2  PRO  11           2HB      PRO  11 -24.295  -5.898   6.109
   69    HB3  PRO  11           1HB      PRO  11 -25.337  -4.567   6.644
   70    HG2  PRO  11           2HG      PRO  11 -26.329  -6.882   5.748
   71    HG3  PRO  11           1HG      PRO  11 -27.143  -5.331   5.475
   72    HD2  PRO  11           2HD      PRO  11 -25.551  -6.990   3.557
   73    HD3  PRO  11           1HD      PRO  11 -26.988  -5.985   3.259
   74    H    GLY  12           H        GLY  12 -22.907  -3.028   6.092
   75    HA2  GLY  12           2HA      GLY  12 -20.627  -3.063   6.461
   76    HA3  GLY  12           1HA      GLY  12 -20.515  -4.482   5.422
   77    HA   PRO  13           HA       PRO  13 -20.408  -1.126   2.073
   78    HB2  PRO  13           2HB      PRO  13 -21.037   1.484   2.659
   79    HB3  PRO  13           1HB      PRO  13 -22.226   0.280   2.116
   80    HG2  PRO  13           2HG      PRO  13 -21.652   1.276   4.860
   81    HG3  PRO  13           1HG      PRO  13 -23.205   0.873   4.099
   82    HD2  PRO  13           2HD      PRO  13 -21.929  -0.796   5.856
   83    HD3  PRO  13           1HD      PRO  13 -23.000  -1.380   4.561
   84    H    MET  14           H        MET  14 -18.180  -1.549   2.417
   85    HA   MET  14           HA       MET  14 -16.521  -0.120   4.209
   86    HB2  MET  14           2HB      MET  14 -15.932  -1.708   1.707
   87    HB3  MET  14           1HB      MET  14 -14.663  -0.964   2.677
   88    HG2  MET  14           2HG      MET  14 -16.734  -2.788   3.905
   89    HG3  MET  14           1HG      MET  14 -15.242  -3.411   3.207
   90    HE1  MET  14           3HE      MET  14 -15.451  -4.037   6.505
   91    HE2  MET  14           1HE      MET  14 -13.693  -3.911   6.343
   92    HE3  MET  14           2HE      MET  14 -14.663  -4.520   5.005
   93    H    LEU  15           H        LEU  15 -17.181   2.098   3.877
   94    HA   LEU  15           HA       LEU  15 -16.569   3.394   1.356
   95    HB2  LEU  15           2HB      LEU  15 -17.835   4.158   3.925
   96    HB3  LEU  15           1HB      LEU  15 -16.927   5.447   3.138
   97    HG   LEU  15           HG       LEU  15 -18.187   4.912   1.007
   98   HD11  LEU  15          1HD1      LEU  15 -19.572   3.058   2.930
   99   HD12  LEU  15          2HD1      LEU  15 -19.015   2.734   1.289
  100   HD13  LEU  15          3HD1      LEU  15 -20.449   3.727   1.553
  101   HD21  LEU  15          3HD2      LEU  15 -19.961   5.656   3.342
  102   HD22  LEU  15          1HD2      LEU  15 -20.166   6.133   1.658
  103   HD23  LEU  15          2HD2      LEU  15 -18.811   6.763   2.594
  104    H    CYS  16           H        CYS  16 -14.844   4.856   0.994
  105    HA   CYS  16           HA       CYS  16 -12.343   4.135   1.925
  106    HB2  CYS  16           2HB      CYS  16 -12.889   5.667  -0.039
  107    HB3  CYS  16           1HB      CYS  16 -12.949   6.975   1.147
  108    H    SER  17           H        SER  17 -11.508   4.125   3.842
  109    HA   SER  17           HA       SER  17 -12.494   5.446   6.111
  110    HB2  SER  17           2HB      SER  17  -9.759   4.259   5.626
  111    HB3  SER  17           1HB      SER  17 -10.395   4.721   7.208
  112    HG   SER  17           HG       SER  17 -11.155   2.647   5.483
  113    H    THR  18           H        THR  18 -10.346   6.708   3.667
  114    HA   THR  18           HA       THR  18  -9.189   8.704   5.415
  115    HB   THR  18           HB       THR  18  -8.192   9.619   3.346
  116    HG1  THR  18           1HG      THR  18  -9.631   9.208   1.789
  117   HG21  THR  18          3HG2      THR  18  -6.766   8.028   4.237
  118   HG22  THR  18          1HG2      THR  18  -7.104   7.284   2.676
  119   HG23  THR  18          2HG2      THR  18  -7.961   6.737   4.116
  120    H    GLY  19           H        GLY  19 -12.204   8.452   3.806
  121    HA2  GLY  19           2HA      GLY  19 -13.930  10.034   4.170
  122    HA3  GLY  19           1HA      GLY  19 -12.709  11.290   4.357
  123    H    CYS  20           H        CYS  20 -13.025   8.928   1.710
  124    HA   CYS  20           HA       CYS  20 -12.954  11.109  -0.224
  125    HB2  CYS  20           2HB      CYS  20 -12.818   8.109  -0.491
  126    HB3  CYS  20           1HB      CYS  20 -12.995   9.167  -1.890
  127    H    GLY  21           H        GLY  21 -15.272   8.813   1.072
  128    HA2  GLY  21           2HA      GLY  21 -17.606   8.915   0.912
  129    HA3  GLY  21           1HA      GLY  21 -17.442  10.181  -0.305
  130    H    PHE  22           H        PHE  22 -15.403   7.571  -1.055
  131    HA   PHE  22           HA       PHE  22 -17.327   6.539  -3.034
  132    HB2  PHE  22           2HB      PHE  22 -14.298   6.574  -2.999
  133    HB3  PHE  22           1HB      PHE  22 -15.256   5.730  -4.219
  134    HD1  PHE  22           1HD      PHE  22 -17.396   7.433  -4.977
  135    HD2  PHE  22           2HD      PHE  22 -13.415   8.569  -3.810
  136    HE1  PHE  22           1HE      PHE  22 -17.632   9.557  -6.234
  137    HE2  PHE  22           2HE      PHE  22 -13.656  10.691  -5.069
  138    HZ   PHE  22           HZ       PHE  22 -15.764  11.186  -6.281
  139    H    TYR  23           H        TYR  23 -16.392   4.138  -3.659
  140    HA   TYR  23           HA       TYR  23 -16.736   2.623  -1.172
  141    HB2  TYR  23           2HB      TYR  23 -18.056   2.253  -3.396
  142    HB3  TYR  23           1HB      TYR  23 -16.607   1.379  -3.903
  143    HD1  TYR  23           1HD      TYR  23 -18.692   1.670  -0.781
  144    HD2  TYR  23           2HD      TYR  23 -16.673  -0.922  -3.550
  145    HE1  TYR  23           1HE      TYR  23 -19.414  -0.294   0.534
  146    HE2  TYR  23           2HE      TYR  23 -17.403  -2.892  -2.237
  147    HH   TYR  23           HH       TYR  23 -19.757  -3.036  -0.278
  148    H    GLY  24           H        GLY  24 -15.319   1.143  -0.389
  149    HA2  GLY  24           2HA      GLY  24 -12.619   1.082  -1.624
  150    HA3  GLY  24           1HA      GLY  24 -12.921   0.965   0.113
  151    H    ASN  25           H        ASN  25 -11.401  -0.982  -1.024
  152    HA   ASN  25           HA       ASN  25 -13.232  -3.292  -1.307
  153    HB2  ASN  25           2HB      ASN  25 -11.485  -2.627  -3.155
  154    HB3  ASN  25           1HB      ASN  25 -10.342  -3.421  -2.076
  155   HD21  ASN  25          1HD2      ASN  25 -13.322  -3.989  -3.965
  156   HD22  ASN  25          2HD2      ASN  25 -13.159  -5.686  -4.004
  157    HA   PRO  26           HA       PRO  26 -11.551  -4.608   2.620
  158    HB2  PRO  26           2HB      PRO  26 -12.412  -7.193   2.671
  159    HB3  PRO  26           1HB      PRO  26 -13.476  -5.800   2.940
  160    HG2  PRO  26           2HG      PRO  26 -13.124  -7.473   0.509
  161    HG3  PRO  26           1HG      PRO  26 -14.595  -6.756   1.185
  162    HD2  PRO  26           2HD      PRO  26 -13.210  -5.696  -0.955
  163    HD3  PRO  26           1HD      PRO  26 -14.263  -4.751   0.119
  164    H    ARG  27           H        ARG  27 -10.837  -6.372  -0.354
  165    HA   ARG  27           HA       ARG  27  -8.727  -7.986   0.753
  166    HB2  ARG  27           2HB      ARG  27  -9.365  -7.204  -2.108
  167    HB3  ARG  27           1HB      ARG  27  -8.143  -8.387  -1.635
  168    HG2  ARG  27           2HG      ARG  27  -9.753  -9.902  -0.813
  169    HG3  ARG  27           1HG      ARG  27 -10.997  -8.657  -0.695
  170    HD2  ARG  27           2HD      ARG  27 -11.372  -8.628  -3.006
  171    HD3  ARG  27           1HD      ARG  27  -9.801  -9.339  -3.367
  172    HE   ARG  27           HE       ARG  27 -11.068 -11.306  -1.966
  173   HH11  ARG  27          1HH2      ARG  27 -11.950  -9.424  -4.806
  174   HH12  ARG  27          2HH2      ARG  27 -12.940 -10.684  -5.457
  175   HH21  ARG  27          1HH1      ARG  27 -12.377 -12.888  -2.846
  176   HH22  ARG  27          2HH1      ARG  27 -13.181 -12.625  -4.358
  177    H    THR  28           H        THR  28  -9.014  -4.831  -0.805
  178    HA   THR  28           HA       THR  28  -6.164  -4.365  -0.957
  179    HB   THR  28           HB       THR  28  -6.808  -2.105  -1.665
  180    HG1  THR  28           1HG      THR  28  -8.725  -1.305  -1.249
  181   HG21  THR  28          3HG2      THR  28  -8.642  -4.207  -2.833
  182   HG22  THR  28          1HG2      THR  28  -6.986  -3.886  -3.341
  183   HG23  THR  28          2HG2      THR  28  -8.237  -2.668  -3.595
  184    H    ASN  29           H        ASN  29  -6.280  -1.613   0.183
  185    HA   ASN  29           HA       ASN  29  -5.950  -2.368   2.975
  186    HB2  ASN  29           2HB      ASN  29  -4.539  -0.703   1.275
  187    HB3  ASN  29           1HB      ASN  29  -5.407   0.440   2.292
  188   HD21  ASN  29          1HD2      ASN  29  -3.330  -2.497   2.523
  189   HD22  ASN  29          2HD2      ASN  29  -2.631  -2.058   4.015
  190    H    GLY  30           H        GLY  30  -8.733  -2.112   1.883
  191    HA2  GLY  30           2HA      GLY  30 -10.746  -1.327   2.639
  192    HA3  GLY  30           1HA      GLY  30  -9.885  -0.707   4.044
  193    H    MET  31           H        MET  31  -8.728   0.452   0.988
  194    HA   MET  31           HA       MET  31 -10.259   2.962   1.323
  195    HB2  MET  31           2HB      MET  31  -7.356   2.734   0.485
  196    HB3  MET  31           1HB      MET  31  -8.279   4.226   0.701
  197    HG2  MET  31           2HG      MET  31  -8.709   3.348   3.112
  198    HG3  MET  31           1HG      MET  31  -7.350   2.270   2.798
  199    HE1  MET  31           3HE      MET  31  -5.064   4.444   4.678
  200    HE2  MET  31           1HE      MET  31  -5.262   2.879   3.876
  201    HE3  MET  31           2HE      MET  31  -6.484   3.455   5.009
  202    H    CYS  32           H        CYS  32  -9.785   4.336  -0.851
  203    HA   CYS  32           HA       CYS  32 -10.903   2.681  -2.935
  204    HB2  CYS  32           2HB      CYS  32 -11.438   4.745  -4.056
  205    HB3  CYS  32           1HB      CYS  32 -11.852   4.918  -2.357
  206    H    SER  33           H        SER  33 -10.025   3.618  -5.279
  207    HA   SER  33           HA       SER  33  -7.542   2.291  -5.614
  208    HB2  SER  33           2HB      SER  33  -9.583   2.990  -7.275
  209    HB3  SER  33           1HB      SER  33  -8.360   4.156  -7.764
  210    HG   SER  33           HG       SER  33  -7.137   2.574  -8.492
  211    H    VAL  34           H        VAL  34  -8.343   5.763  -5.693
  212    HA   VAL  34           HA       VAL  34  -5.735   6.668  -6.369
  213    HB   VAL  34           HB       VAL  34  -7.768   8.269  -4.796
  214   HG11  VAL  34          1HG1      VAL  34  -5.535   9.266  -5.133
  215   HG12  VAL  34          2HG1      VAL  34  -6.767  10.140  -6.045
  216   HG13  VAL  34          3HG1      VAL  34  -5.687   9.017  -6.873
  217   HG21  VAL  34          3HG2      VAL  34  -7.745   7.464  -7.705
  218   HG22  VAL  34          1HG2      VAL  34  -8.449   9.005  -7.212
  219   HG23  VAL  34          2HG2      VAL  34  -9.100   7.495  -6.578
  220    H    CYS  35           H        CYS  35  -7.321   6.087  -3.282
  221    HA   CYS  35           HA       CYS  35  -5.292   7.258  -1.641
  222    HB2  CYS  35           2HB      CYS  35  -7.668   5.481  -1.159
  223    HB3  CYS  35           1HB      CYS  35  -6.520   5.806   0.143
  224    H    TYR  36           H        TYR  36  -5.995   3.934  -2.676
  225    HA   TYR  36           HA       TYR  36  -4.176   2.637  -0.985
  226    HB2  TYR  36           2HB      TYR  36  -5.994   1.509  -2.238
  227    HB3  TYR  36           1HB      TYR  36  -5.069   1.715  -3.718
  228    HD1  TYR  36           1HD      TYR  36  -4.028   0.730  -0.233
  229    HD2  TYR  36           2HD      TYR  36  -4.255  -0.372  -4.378
  230    HE1  TYR  36           1HE      TYR  36  -2.772  -1.351   0.252
  231    HE2  TYR  36           2HE      TYR  36  -2.999  -2.455  -3.890
  232    HH   TYR  36           HH       TYR  36  -2.652  -3.942  -1.785
  233    H    LYS  37           H        LYS  37  -3.632   4.196  -4.101
  234    HA   LYS  37           HA       LYS  37  -0.970   3.116  -4.355
  235    HB2  LYS  37           2HB      LYS  37  -2.819   4.739  -5.965
  236    HB3  LYS  37           1HB      LYS  37  -1.153   5.283  -6.090
  237    HG2  LYS  37           2HG      LYS  37  -1.255   3.659  -7.774
  238    HG3  LYS  37           1HG      LYS  37  -0.621   2.731  -6.415
  239    HD2  LYS  37           2HD      LYS  37  -3.173   2.305  -5.894
  240    HD3  LYS  37           1HD      LYS  37  -3.383   2.703  -7.601
  241    HE2  LYS  37           2HE      LYS  37  -1.369   0.652  -6.646
  242    HE3  LYS  37           1HE      LYS  37  -3.028   0.227  -7.072
  243    HZ1  LYS  37           3HZ      LYS  37  -1.061   1.567  -8.854
  244    HZ2  LYS  37           1HZ      LYS  37  -2.664   1.194  -9.267
  245    HZ3  LYS  37           2HZ      LYS  37  -1.556  -0.055  -8.957
  246    H    GLU  38           H        GLU  38  -2.440   6.235  -3.518
  247    HA   GLU  38           HA       GLU  38  -0.069   7.690  -3.148
  248    HB2  GLU  38           2HB      GLU  38  -2.835   8.038  -1.998
  249    HB3  GLU  38           1HB      GLU  38  -1.531   9.188  -1.712
  250    HG2  GLU  38           2HG      GLU  38  -2.331   8.321  -4.497
  251    HG3  GLU  38           1HG      GLU  38  -3.079   9.701  -3.687
  252    H    HIS  39           H        HIS  39  -2.044   5.938  -0.695
  253    HA   HIS  39           HA       HIS  39  -0.195   6.735   1.369
  254    HB2  HIS  39           2HB      HIS  39  -1.587   5.729   2.947
  255    HB3  HIS  39           1HB      HIS  39  -2.672   6.359   1.715
  256    HD1  HIS  39           1HD      HIS  39  -4.500   4.800   1.249
  257    HD2  HIS  39           2HD      HIS  39  -1.023   2.739   2.228
  258    HE1  HIS  39           1HE      HIS  39  -5.121   2.346   1.321
  259    HE2  HIS  39           2HE      HIS  39  -3.006   1.075   1.921
  260    H    LEU  40           H        LEU  40  -0.680   3.725  -0.435
  261    HA   LEU  40           HA       LEU  40   1.145   2.123   1.024
  262    HB2  LEU  40           2HB      LEU  40  -0.481   1.328  -0.748
  263    HB3  LEU  40           1HB      LEU  40   0.638   1.963  -1.955
  264    HG   LEU  40           HG       LEU  40   2.433   0.501  -1.014
  265   HD11  LEU  40          1HD1      LEU  40   1.707   0.181   1.252
  266   HD12  LEU  40          2HD1      LEU  40   1.605  -1.397   0.473
  267   HD13  LEU  40          3HD1      LEU  40   0.143  -0.446   0.729
  268   HD21  LEU  40          3HD2      LEU  40   1.259  -0.345  -2.932
  269   HD22  LEU  40          1HD2      LEU  40  -0.145  -0.782  -1.958
  270   HD23  LEU  40          2HD2      LEU  40   1.361  -1.680  -1.785
  271    H    GLN  41           H        GLN  41   1.629   4.633  -1.324
  272    HA   GLN  41           HA       GLN  41   4.318   4.042  -2.076
  273    HB2  GLN  41           2HB      GLN  41   2.396   6.201  -2.506
  274    HB3  GLN  41           1HB      GLN  41   4.029   6.825  -2.300
  275    HG2  GLN  41           2HG      GLN  41   4.812   5.178  -4.023
  276    HG3  GLN  41           1HG      GLN  41   3.125   4.733  -4.300
  277   HE21  GLN  41          1HE2      GLN  41   5.370   7.532  -4.430
  278   HE22  GLN  41          2HE2      GLN  41   4.472   8.387  -5.602
  279    H    ARG  42           H        ARG  42   2.902   5.972   0.534
  280    HA   ARG  42           HA       ARG  42   5.411   7.021   1.464
  281    HB2  ARG  42           2HB      ARG  42   2.673   6.905   2.740
  282    HB3  ARG  42           1HB      ARG  42   4.058   7.748   3.438
  283    HG2  ARG  42           2HG      ARG  42   4.244   9.095   1.339
  284    HG3  ARG  42           1HG      ARG  42   2.780   8.314   0.744
  285    HD2  ARG  42           2HD      ARG  42   1.452   9.267   2.480
  286    HD3  ARG  42           1HD      ARG  42   2.871   9.778   3.385
  287    HE   ARG  42           HE       ARG  42   2.998  11.047   0.898
  288   HH11  ARG  42          1HH2      ARG  42   0.823  11.030   3.667
  289   HH12  ARG  42          2HH2      ARG  42   0.383  12.688   3.458
  290   HH21  ARG  42          1HH1      ARG  42   2.390  13.199   0.688
  291   HH22  ARG  42          2HH1      ARG  42   1.259  13.904   1.794
  292    H    GLN  43           H        GLN  43   3.500   4.159   2.172
  293    HA   GLN  43           HA       GLN  43   4.932   3.496   4.599
  294    HB2  GLN  43           2HB      GLN  43   3.005   1.934   2.870
  295    HB3  GLN  43           1HB      GLN  43   3.720   1.302   4.354
  296    HG2  GLN  43           2HG      GLN  43   2.739   3.123   5.646
  297    HG3  GLN  43           1HG      GLN  43   2.106   3.861   4.174
  298   HE21  GLN  43          1HE2      GLN  43  -0.131   3.581   4.434
  299   HE22  GLN  43          2HE2      GLN  43  -0.877   2.073   4.666
  300    H    GLN  44           H        GLN  44   5.105   2.632   1.185
  301    HA   GLN  44           HA       GLN  44   6.925   0.458   1.470
  302    HB2  GLN  44           2HB      GLN  44   5.416   1.178  -0.552
  303    HB3  GLN  44           1HB      GLN  44   6.812   2.157  -0.998
  304    HG2  GLN  44           2HG      GLN  44   8.231   0.085  -0.822
  305    HG3  GLN  44           1HG      GLN  44   6.751  -0.845  -0.588
  306   HE21  GLN  44          1HE2      GLN  44   4.981   0.087  -2.416
  307   HE22  GLN  44          2HE2      GLN  44   5.607   0.009  -4.001
  308    H    ASN  45           H        ASN  45   7.352   3.923   0.785
  309    HA   ASN  45           HA       ASN  45  10.165   3.831   0.408
  310    HB2  ASN  45           2HB      ASN  45   8.193   6.006   1.020
  311    HB3  ASN  45           1HB      ASN  45   9.922   6.347   1.082
  312   HD21  ASN  45          1HD2      ASN  45   7.368   5.086  -1.104
  313   HD22  ASN  45          2HD2      ASN  45   8.178   5.523  -2.540
  314    H    SER  46           H        SER  46   8.231   3.720   3.301
  315    HA   SER  46           HA       SER  46   9.998   4.858   5.169
  316    HB2  SER  46           2HB      SER  46   7.585   4.143   5.548
  317    HB3  SER  46           1HB      SER  46   8.198   2.502   5.729
  318    HG   SER  46           HG       SER  46   7.999   3.859   7.695
  319    H    GLY  47           H        GLY  47   9.572   1.397   4.333
  320    HA2  GLY  47           2HA      GLY  47  11.990   0.440   3.937
  321    HA3  GLY  47           1HA      GLY  47  12.116   0.775   5.661
  322    H    ARG  48           H        ARG  48   9.957  -0.869   3.331
  323    HA   ARG  48           HA       ARG  48   9.589  -3.040   5.319
  324    HB2  ARG  48           2HB      ARG  48   7.544  -1.551   4.826
  325    HB3  ARG  48           1HB      ARG  48   7.536  -2.314   3.235
  326    HG2  ARG  48           2HG      ARG  48   7.162  -4.470   4.141
  327    HG3  ARG  48           1HG      ARG  48   7.625  -3.958   5.765
  328    HD2  ARG  48           2HD      ARG  48   5.273  -2.699   4.373
  329    HD3  ARG  48           1HD      ARG  48   5.095  -4.227   5.230
  330    HE   ARG  48           HE       ARG  48   6.384  -2.166   6.795
  331   HH11  ARG  48          1HH2      ARG  48   3.281  -3.537   5.855
  332   HH12  ARG  48          2HH2      ARG  48   2.471  -2.911   7.247
  333   HH21  ARG  48          1HH1      ARG  48   5.270  -1.376   8.573
  334   HH22  ARG  48          2HH1      ARG  48   3.579  -1.701   8.767
  335    H    MET  49           H        MET  49   9.954  -5.078   4.618
  336    HA   MET  49           HA       MET  49  10.541  -5.467   1.736
  337    HB2  MET  49           2HB      MET  49  11.899  -6.570   4.195
  338    HB3  MET  49           1HB      MET  49  12.061  -7.337   2.615
  339    HG2  MET  49           2HG      MET  49  12.821  -5.114   1.701
  340    HG3  MET  49           1HG      MET  49  12.843  -4.506   3.357
  341    HE1  MET  49           3HE      MET  49  15.045  -4.791   1.043
  342    HE2  MET  49           1HE      MET  49  16.531  -5.282   1.867
  343    HE3  MET  49           2HE      MET  49  15.550  -3.973   2.519
  344    H    SER  50           H        SER  50  10.498  -7.943   1.244
  345    HA   SER  50           HA       SER  50   8.459  -9.400   2.728
  346    HB2  SER  50           2HB      SER  50   7.169  -9.809   0.580
  347    HB3  SER  50           1HB      SER  50   7.010  -8.197   1.269
  348    HG   SER  50           HG       SER  50   7.566  -8.536  -1.109
  349    HA   PRO  51           HA       PRO  51  10.970 -12.755   1.290
  350    HB2  PRO  51           2HB      PRO  51   9.305 -14.879   1.550
  351    HB3  PRO  51           1HB      PRO  51   9.947 -13.999   2.951
  352    HG2  PRO  51           2HG      PRO  51   7.258 -13.851   1.691
  353    HG3  PRO  51           1HG      PRO  51   7.713 -13.783   3.401
  354    HD2  PRO  51           2HD      PRO  51   7.106 -11.560   1.856
  355    HD3  PRO  51           1HD      PRO  51   8.076 -11.518   3.344
  356    H    MET  52           H        MET  52   7.668 -12.863  -0.078
  357    HA   MET  52           HA       MET  52   8.796 -13.826  -2.644
  358    HB2  MET  52           2HB      MET  52   7.051 -15.229  -1.371
  359    HB3  MET  52           1HB      MET  52   5.894 -13.982  -1.842
  360    HG2  MET  52           2HG      MET  52   6.607 -14.317  -4.229
  361    HG3  MET  52           1HG      MET  52   7.589 -15.681  -3.693
  362    HE1  MET  52           3HE      MET  52   4.119 -14.099  -3.981
  363    HE2  MET  52           1HE      MET  52   3.185 -15.488  -4.554
  364    HE3  MET  52           2HE      MET  52   4.579 -14.919  -5.471
  365    H    GLY  53           H        GLY  53   8.213 -12.797  -4.558
  366    HA2  GLY  53           2HA      GLY  53   7.099 -11.200  -5.896
  367    HA3  GLY  53           1HA      GLY  53   6.468 -10.446  -4.434
  368    H    THR  54           H        THR  54   9.844 -11.321  -5.012
  369    HA   THR  54           HA       THR  54  10.710  -8.644  -4.353
  370    HB   THR  54           HB       THR  54  12.998  -9.630  -4.781
  371    HG1  THR  54           1HG      THR  54  13.084 -11.820  -5.174
  372   HG21  THR  54          3HG2      THR  54  11.770  -9.649  -2.559
  373   HG22  THR  54          1HG2      THR  54  12.991 -10.906  -2.751
  374   HG23  THR  54          2HG2      THR  54  11.283 -11.301  -2.933
  375    H    ALA  55           H        ALA  55  10.671  -7.055  -5.813
  376    HA   ALA  55           HA       ALA  55  10.683  -7.609  -8.656
  377    HB1  ALA  55           1HB      ALA  55   9.353  -5.764  -7.448
  378    HB2  ALA  55           2HB      ALA  55  10.172  -5.328  -8.947
  379    HB3  ALA  55           3HB      ALA  55  10.879  -4.881  -7.394
  380    H    SER  56           H        SER  56  12.118  -5.976  -9.993
  381    HA   SER  56           HA       SER  56  14.829  -5.778  -8.871
  382    HB2  SER  56           2HB      SER  56  14.420  -7.968 -10.223
  383    HB3  SER  56           1HB      SER  56  14.454  -6.910 -11.630
  384    HG   SER  56           HG       SER  56  16.538  -6.946 -11.437
  385    H    GLY  57           H        GLY  57  16.292  -4.590 -10.483
  386    HA2  GLY  57           2HA      GLY  57  16.424  -3.036 -12.349
  387    HA3  GLY  57           1HA      GLY  57  14.765  -2.556 -12.003
  388    H    SER  58           H        SER  58  15.032  -2.380  -9.158
  389    HA   SER  58           HA       SER  58  16.123   0.271  -8.948
  390    HB2  SER  58           2HB      SER  58  14.806  -1.637  -7.036
  391    HB3  SER  58           1HB      SER  58  15.586  -0.175  -6.438
  392    HG   SER  58           HG       SER  58  13.235  -0.156  -7.136
  393    H    ASN  59           H        ASN  59  16.994  -2.912  -7.596
  394    HA   ASN  59           HA       ASN  59  19.398  -1.899  -6.352
  395    HB2  ASN  59           2HB      ASN  59  18.356  -4.707  -6.780
  396    HB3  ASN  59           1HB      ASN  59  19.819  -4.320  -5.876
  397   HD21  ASN  59          1HD2      ASN  59  19.560  -3.698  -3.696
  398   HD22  ASN  59          2HD2      ASN  59  18.056  -3.404  -2.967
  399    H    SER  60           H        SER  60  21.212  -1.470  -7.432
  400    HA   SER  60           HA       SER  60  21.645  -2.524 -10.105
  401    HB2  SER  60           2HB      SER  60  22.214  -0.137  -9.149
  402    HB3  SER  60           1HB      SER  60  23.693  -0.927  -8.605
  403    HG   SER  60           HG       SER  60  24.329  -0.644 -10.585
  404    HA   PRO  61           HA       PRO  61  24.325  -5.786  -8.702
  405    HB2  PRO  61           2HB      PRO  61  25.563  -6.462 -11.010
  406    HB3  PRO  61           1HB      PRO  61  23.834  -6.756 -10.748
  407    HG2  PRO  61           2HG      PRO  61  25.172  -4.664 -12.359
  408    HG3  PRO  61           1HG      PRO  61  23.636  -5.497 -12.635
  409    HD2  PRO  61           2HD      PRO  61  23.933  -2.920 -11.545
  410    HD3  PRO  61           1HD      PRO  61  22.458  -3.909 -11.492
  411    H    THR  62           H        THR  62  26.554  -6.348  -8.296
  412    HA   THR  62           HA       THR  62  28.619  -4.421  -9.042
  413    HB   THR  62           HB       THR  62  29.335  -4.191  -6.652
  414    HG1  THR  62           1HG      THR  62  26.775  -5.320  -6.193
  415   HG21  THR  62          3HG2      THR  62  26.505  -3.214  -7.034
  416   HG22  THR  62          1HG2      THR  62  27.855  -2.540  -7.946
  417   HG23  THR  62          2HG2      THR  62  27.830  -2.415  -6.187
  Start of MODEL   19
    1    H1   GLY   1           1HT      GLY   1 -29.381   4.777  19.853
    2    H2   GLY   1           2HT      GLY   1 -29.072   5.752  18.497
    3    H3   GLY   1           3HT      GLY   1 -28.737   4.087  18.445
    4    HA2  GLY   1           2HA      GLY   1 -30.748   4.504  17.231
    5    HA3  GLY   1           1HA      GLY   1 -31.121   3.615  18.709
    6    H    SER   2           H        SER   2 -32.529   5.763  16.939
    7    HA   SER   2           HA       SER   2 -33.567   7.325  19.219
    8    HB2  SER   2           2HB      SER   2 -33.696   9.319  17.718
    9    HB3  SER   2           1HB      SER   2 -32.046   8.829  18.087
   10    HG   SER   2           HG       SER   2 -32.961   9.206  15.744
   11    H    MET   3           H        MET   3 -34.054   6.619  15.745
   12    HA   MET   3           HA       MET   3 -36.812   5.837  16.280
   13    HB2  MET   3           2HB      MET   3 -36.052   8.232  14.613
   14    HB3  MET   3           1HB      MET   3 -37.566   7.363  14.357
   15    HG2  MET   3           2HG      MET   3 -38.118   7.700  16.771
   16    HG3  MET   3           1HG      MET   3 -36.656   8.672  16.936
   17    HE1  MET   3           3HE      MET   3 -37.142  11.737  14.862
   18    HE2  MET   3           1HE      MET   3 -36.631  10.272  14.011
   19    HE3  MET   3           2HE      MET   3 -36.061  10.588  15.647
   20    H    ALA   4           H        ALA   4 -37.575   4.354  14.821
   21    HA   ALA   4           HA       ALA   4 -35.670   3.454  12.756
   22    HB1  ALA   4           1HB      ALA   4 -38.087   1.985  13.829
   23    HB2  ALA   4           2HB      ALA   4 -36.476   1.852  14.534
   24    HB3  ALA   4           3HB      ALA   4 -36.760   1.318  12.876
   25    H    GLN   5           H        GLN   5 -37.349   5.788  12.331
   26    HA   GLN   5           HA       GLN   5 -39.421   4.887  10.470
   27    HB2  GLN   5           2HB      GLN   5 -38.661   7.541  11.662
   28    HB3  GLN   5           1HB      GLN   5 -39.717   7.455  10.251
   29    HG2  GLN   5           2HG      GLN   5 -41.148   5.816  11.551
   30    HG3  GLN   5           1HG      GLN   5 -40.183   6.213  12.971
   31   HE21  GLN   5          1HE2      GLN   5 -42.864   7.217  11.055
   32   HE22  GLN   5          2HE2      GLN   5 -43.109   8.731  11.801
   33    H    GLU   6           H        GLU   6 -36.291   6.525  10.495
   34    HA   GLU   6           HA       GLU   6 -36.317   7.176   7.694
   35    HB2  GLU   6           2HB      GLU   6 -34.054   7.044   9.702
   36    HB3  GLU   6           1HB      GLU   6 -33.898   7.658   8.057
   37    HG2  GLU   6           2HG      GLU   6 -35.766   9.285   8.595
   38    HG3  GLU   6           1HG      GLU   6 -35.626   8.775  10.278
   39    H    THR   7           H        THR   7 -34.501   6.341   6.254
   40    HA   THR   7           HA       THR   7 -34.775   3.499   5.997
   41    HB   THR   7           HB       THR   7 -32.754   5.164   4.510
   42    HG1  THR   7           1HG      THR   7 -34.301   6.152   3.484
   43   HG21  THR   7          3HG2      THR   7 -34.453   2.742   3.879
   44   HG22  THR   7          1HG2      THR   7 -32.698   2.804   4.032
   45   HG23  THR   7          2HG2      THR   7 -33.492   3.598   2.673
   46    H    ASN   8           H        ASN   8 -33.751   2.153   7.341
   47    HA   ASN   8           HA       ASN   8 -31.336   2.809   8.726
   48    HB2  ASN   8           2HB      ASN   8 -33.228   1.125   9.360
   49    HB3  ASN   8           1HB      ASN   8 -32.318  -0.006   8.362
   50   HD21  ASN   8          1HD2      ASN   8 -29.964  -0.323   8.992
   51   HD22  ASN   8          2HD2      ASN   8 -29.537  -0.145  10.634
   52    H    GLN   9           H        GLN   9 -32.103   0.913   5.842
   53    HA   GLN   9           HA       GLN   9 -29.461  -0.136   5.480
   54    HB2  GLN   9           2HB      GLN   9 -31.703  -1.009   4.523
   55    HB3  GLN   9           1HB      GLN   9 -31.474   0.211   3.272
   56    HG2  GLN   9           2HG      GLN   9 -29.228  -0.745   2.791
   57    HG3  GLN   9           1HG      GLN   9 -29.537  -2.009   3.980
   58   HE21  GLN   9          1HE2      GLN   9 -31.208  -3.626   3.463
   59   HE22  GLN   9          2HE2      GLN   9 -31.765  -3.817   1.862
   60    H    THR  10           H        THR  10 -27.721   0.814   4.630
   61    HA   THR  10           HA       THR  10 -28.005   3.017   2.726
   62    HB   THR  10           HB       THR  10 -26.234   4.290   4.102
   63    HG1  THR  10           1HG      THR  10 -25.756   2.735   5.605
   64   HG21  THR  10          3HG2      THR  10 -28.566   5.039   3.816
   65   HG22  THR  10          1HG2      THR  10 -27.988   5.378   5.447
   66   HG23  THR  10          2HG2      THR  10 -29.061   4.009   5.159
   67    HA   PRO  11           HA       PRO  11 -24.650   0.257   1.290
   68    HB2  PRO  11           2HB      PRO  11 -24.565   2.162  -0.991
   69    HB3  PRO  11           1HB      PRO  11 -24.746   0.397  -0.995
   70    HG2  PRO  11           2HG      PRO  11 -26.789   2.015  -1.551
   71    HG3  PRO  11           1HG      PRO  11 -27.012   0.494  -0.670
   72    HD2  PRO  11           2HD      PRO  11 -26.975   3.297   0.397
   73    HD3  PRO  11           1HD      PRO  11 -27.984   1.918   0.888
   74    H    GLY  12           H        GLY  12 -22.402   0.852   0.198
   75    HA2  GLY  12           2HA      GLY  12 -20.434   2.094   0.202
   76    HA3  GLY  12           1HA      GLY  12 -21.273   3.380   1.062
   77    HA   PRO  13           HA       PRO  13 -20.374   0.492   4.801
   78    HB2  PRO  13           2HB      PRO  13 -19.206  -1.979   4.255
   79    HB3  PRO  13           1HB      PRO  13 -20.934  -1.707   4.554
   80    HG2  PRO  13           2HG      PRO  13 -19.487  -2.015   1.971
   81    HG3  PRO  13           1HG      PRO  13 -21.080  -2.622   2.459
   82    HD2  PRO  13           2HD      PRO  13 -20.834  -0.463   0.861
   83    HD3  PRO  13           1HD      PRO  13 -22.132  -0.585   2.074
   84    H    MET  14           H        MET  14 -17.904  -0.959   2.648
   85    HA   MET  14           HA       MET  14 -15.749  -0.017   4.287
   86    HB2  MET  14           2HB      MET  14 -16.052  -1.674   1.828
   87    HB3  MET  14           1HB      MET  14 -14.499  -0.872   2.041
   88    HG2  MET  14           2HG      MET  14 -14.163  -2.897   3.162
   89    HG3  MET  14           1HG      MET  14 -14.627  -1.819   4.476
   90    HE1  MET  14           3HE      MET  14 -15.285  -3.923   6.006
   91    HE2  MET  14           1HE      MET  14 -17.042  -3.862   6.196
   92    HE3  MET  14           2HE      MET  14 -16.111  -2.370   6.106
   93    H    LEU  15           H        LEU  15 -16.695   2.305   4.007
   94    HA   LEU  15           HA       LEU  15 -16.036   3.623   1.525
   95    HB2  LEU  15           2HB      LEU  15 -17.821   4.171   3.494
   96    HB3  LEU  15           1HB      LEU  15 -16.514   5.254   3.964
   97    HG   LEU  15           HG       LEU  15 -16.491   6.154   1.616
   98   HD11  LEU  15          1HD1      LEU  15 -18.693   4.125   1.371
   99   HD12  LEU  15          2HD1      LEU  15 -17.446   4.562   0.208
  100   HD13  LEU  15          3HD1      LEU  15 -18.830   5.625   0.451
  101   HD21  LEU  15          3HD2      LEU  15 -18.652   7.401   1.863
  102   HD22  LEU  15          1HD2      LEU  15 -17.709   7.352   3.353
  103   HD23  LEU  15          2HD2      LEU  15 -19.102   6.288   3.155
  104    H    CYS  16           H        CYS  16 -14.351   5.045   1.124
  105    HA   CYS  16           HA       CYS  16 -11.819   4.561   1.816
  106    HB2  CYS  16           2HB      CYS  16 -12.761   6.317   0.206
  107    HB3  CYS  16           1HB      CYS  16 -12.713   7.421   1.579
  108    H    SER  17           H        SER  17 -10.741   4.387   3.627
  109    HA   SER  17           HA       SER  17 -11.508   5.355   6.154
  110    HB2  SER  17           2HB      SER  17  -8.743   4.593   5.193
  111    HB3  SER  17           1HB      SER  17  -9.231   4.765   6.880
  112    HG   SER  17           HG       SER  17 -10.403   2.969   6.734
  113    H    THR  18           H        THR  18  -9.710   6.923   3.575
  114    HA   THR  18           HA       THR  18  -8.694   9.026   5.296
  115    HB   THR  18           HB       THR  18  -7.666   9.949   3.353
  116    HG1  THR  18           1HG      THR  18  -8.884   9.936   1.660
  117   HG21  THR  18          3HG2      THR  18  -6.232   8.219   2.775
  118   HG22  THR  18          1HG2      THR  18  -7.535   7.035   2.658
  119   HG23  THR  18          2HG2      THR  18  -6.960   7.564   4.240
  120    H    GLY  19           H        GLY  19 -11.727   8.420   3.877
  121    HA2  GLY  19           2HA      GLY  19 -13.629   9.706   3.862
  122    HA3  GLY  19           1HA      GLY  19 -12.702  10.995   4.626
  123    H    CYS  20           H        CYS  20 -12.177   9.414   1.453
  124    HA   CYS  20           HA       CYS  20 -12.058  12.052   0.236
  125    HB2  CYS  20           2HB      CYS  20 -10.935  11.104  -1.555
  126    HB3  CYS  20           1HB      CYS  20 -10.448  10.052  -0.233
  127    H    GLY  21           H        GLY  21 -14.504   9.720   0.721
  128    HA2  GLY  21           2HA      GLY  21 -16.772  10.163   0.249
  129    HA3  GLY  21           1HA      GLY  21 -16.273  11.216  -1.067
  130    H    PHE  22           H        PHE  22 -14.519   8.352  -1.399
  131    HA   PHE  22           HA       PHE  22 -16.451   7.361  -3.389
  132    HB2  PHE  22           2HB      PHE  22 -13.450   7.209  -3.180
  133    HB3  PHE  22           1HB      PHE  22 -14.346   6.196  -4.299
  134    HD1  PHE  22           1HD      PHE  22 -14.272   9.807  -3.225
  135    HD2  PHE  22           2HD      PHE  22 -14.564   6.991  -6.457
  136    HE1  PHE  22           1HE      PHE  22 -14.363  11.677  -4.843
  137    HE2  PHE  22           2HE      PHE  22 -14.647   8.867  -8.076
  138    HZ   PHE  22           HZ       PHE  22 -14.547  11.208  -7.268
  139    H    TYR  23           H        TYR  23 -15.593   4.814  -3.801
  140    HA   TYR  23           HA       TYR  23 -16.376   3.491  -1.299
  141    HB2  TYR  23           2HB      TYR  23 -17.564   3.086  -3.548
  142    HB3  TYR  23           1HB      TYR  23 -16.135   2.146  -3.983
  143    HD1  TYR  23           1HD      TYR  23 -18.214   2.535  -0.860
  144    HD2  TYR  23           2HD      TYR  23 -16.457  -0.145  -3.724
  145    HE1  TYR  23           1HE      TYR  23 -19.091   0.603   0.416
  146    HE2  TYR  23           2HE      TYR  23 -17.334  -2.082  -2.443
  147    HH   TYR  23           HH       TYR  23 -19.709  -1.992  -0.373
  148    H    GLY  24           H        GLY  24 -15.208   1.885  -0.331
  149    HA2  GLY  24           2HA      GLY  24 -12.407   1.563  -1.260
  150    HA3  GLY  24           1HA      GLY  24 -12.919   1.480   0.427
  151    H    ASN  25           H        ASN  25 -11.434  -0.566  -0.827
  152    HA   ASN  25           HA       ASN  25 -13.414  -2.735  -1.174
  153    HB2  ASN  25           2HB      ASN  25 -11.443  -2.159  -2.872
  154    HB3  ASN  25           1HB      ASN  25 -10.506  -3.144  -1.752
  155   HD21  ASN  25          1HD2      ASN  25 -10.309  -5.067  -3.006
  156   HD22  ASN  25          2HD2      ASN  25 -11.651  -5.978  -3.531
  157    HA   PRO  26           HA       PRO  26 -12.061  -4.123   2.857
  158    HB2  PRO  26           2HB      PRO  26 -13.113  -6.646   2.870
  159    HB3  PRO  26           1HB      PRO  26 -14.081  -5.179   3.104
  160    HG2  PRO  26           2HG      PRO  26 -13.774  -6.879   0.690
  161    HG3  PRO  26           1HG      PRO  26 -15.199  -6.026   1.300
  162    HD2  PRO  26           2HD      PRO  26 -13.629  -5.117  -0.782
  163    HD3  PRO  26           1HD      PRO  26 -14.646  -4.070   0.230
  164    H    ARG  27           H        ARG  27 -11.377  -5.970  -0.065
  165    HA   ARG  27           HA       ARG  27  -9.440  -7.735   1.101
  166    HB2  ARG  27           2HB      ARG  27  -9.983  -6.896  -1.757
  167    HB3  ARG  27           1HB      ARG  27  -8.775  -8.097  -1.303
  168    HG2  ARG  27           2HG      ARG  27 -10.386  -9.621  -0.539
  169    HG3  ARG  27           1HG      ARG  27 -11.618  -8.372  -0.351
  170    HD2  ARG  27           2HD      ARG  27 -11.706  -8.091  -2.801
  171    HD3  ARG  27           1HD      ARG  27 -10.473  -9.332  -2.985
  172    HE   ARG  27           HE       ARG  27 -12.839 -10.187  -1.537
  173   HH11  ARG  27          1HH2      ARG  27 -11.331  -9.912  -4.708
  174   HH12  ARG  27          2HH2      ARG  27 -12.291 -11.179  -5.385
  175   HH21  ARG  27          1HH1      ARG  27 -14.077 -11.804  -2.494
  176   HH22  ARG  27          2HH1      ARG  27 -13.830 -12.230  -4.155
  177    H    THR  28           H        THR  28  -9.395  -4.518  -0.302
  178    HA   THR  28           HA       THR  28  -6.505  -4.355  -0.448
  179    HB   THR  28           HB       THR  28  -6.902  -1.991  -1.044
  180    HG1  THR  28           1HG      THR  28  -8.668  -1.063  -0.453
  181   HG21  THR  28          3HG2      THR  28  -7.079  -3.415  -2.915
  182   HG22  THR  28          1HG2      THR  28  -8.533  -2.421  -2.986
  183   HG23  THR  28          2HG2      THR  28  -8.624  -4.073  -2.377
  184    H    ASN  29           H        ASN  29  -6.448  -1.593   0.831
  185    HA   ASN  29           HA       ASN  29  -6.164  -2.524   3.578
  186    HB2  ASN  29           2HB      ASN  29  -4.795  -0.654   1.900
  187    HB3  ASN  29           1HB      ASN  29  -5.432   0.247   3.274
  188   HD21  ASN  29          1HD2      ASN  29  -3.787  -2.933   2.703
  189   HD22  ASN  29          2HD2      ASN  29  -2.755  -2.791   4.056
  190    H    GLY  30           H        GLY  30  -8.897  -2.093   2.450
  191    HA2  GLY  30           2HA      GLY  30 -10.890  -1.319   3.289
  192    HA3  GLY  30           1HA      GLY  30  -9.996  -0.582   4.618
  193    H    MET  31           H        MET  31  -8.899   0.221   1.428
  194    HA   MET  31           HA       MET  31 -10.350   2.790   1.514
  195    HB2  MET  31           2HB      MET  31  -7.421   2.342   0.889
  196    HB3  MET  31           1HB      MET  31  -8.266   3.889   0.764
  197    HG2  MET  31           2HG      MET  31  -8.923   3.530   3.226
  198    HG3  MET  31           1HG      MET  31  -7.700   2.264   3.251
  199    HE1  MET  31           3HE      MET  31  -4.717   3.973   4.254
  200    HE2  MET  31           1HE      MET  31  -5.576   2.489   3.819
  201    HE3  MET  31           2HE      MET  31  -6.158   3.490   5.145
  202    H    CYS  32           H        CYS  32 -10.059   3.955  -0.658
  203    HA   CYS  32           HA       CYS  32 -11.257   2.421  -2.697
  204    HB2  CYS  32           2HB      CYS  32  -9.748   5.014  -3.021
  205    HB3  CYS  32           1HB      CYS  32 -10.940   4.363  -4.137
  206    H    SER  33           H        SER  33 -10.316   2.374  -5.009
  207    HA   SER  33           HA       SER  33  -7.960   0.737  -4.967
  208    HB2  SER  33           2HB      SER  33  -9.654   1.867  -7.201
  209    HB3  SER  33           1HB      SER  33  -8.217   0.892  -7.501
  210    HG   SER  33           HG       SER  33 -10.594   0.183  -6.132
  211    H    VAL  34           H        VAL  34  -8.725   4.009  -6.162
  212    HA   VAL  34           HA       VAL  34  -6.073   4.585  -7.062
  213    HB   VAL  34           HB       VAL  34  -8.222   6.584  -6.280
  214   HG11  VAL  34          1HG1      VAL  34  -5.814   6.654  -8.113
  215   HG12  VAL  34          2HG1      VAL  34  -6.123   7.662  -6.699
  216   HG13  VAL  34          3HG1      VAL  34  -7.088   7.870  -8.160
  217   HG21  VAL  34          3HG2      VAL  34  -8.779   6.474  -8.772
  218   HG22  VAL  34          1HG2      VAL  34  -9.291   5.086  -7.811
  219   HG23  VAL  34          2HG2      VAL  34  -7.848   4.976  -8.819
  220    H    CYS  35           H        CYS  35  -7.863   5.086  -4.066
  221    HA   CYS  35           HA       CYS  35  -5.888   6.735  -2.808
  222    HB2  CYS  35           2HB      CYS  35  -8.174   5.115  -1.652
  223    HB3  CYS  35           1HB      CYS  35  -7.189   6.263  -0.739
  224    H    TYR  36           H        TYR  36  -6.570   3.264  -2.859
  225    HA   TYR  36           HA       TYR  36  -4.875   2.425  -0.799
  226    HB2  TYR  36           2HB      TYR  36  -6.509   0.926  -1.764
  227    HB3  TYR  36           1HB      TYR  36  -5.710   0.997  -3.335
  228    HD1  TYR  36           1HD      TYR  36  -4.427   0.462   0.176
  229    HD2  TYR  36           2HD      TYR  36  -4.753  -1.066  -3.821
  230    HE1  TYR  36           1HE      TYR  36  -3.008  -1.472   0.803
  231    HE2  TYR  36           2HE      TYR  36  -3.333  -3.000  -3.196
  232    HH   TYR  36           HH       TYR  36  -1.507  -3.427  -1.370
  233    H    LYS  37           H        LYS  37  -4.091   3.286  -4.121
  234    HA   LYS  37           HA       LYS  37  -1.396   2.258  -4.007
  235    HB2  LYS  37           2HB      LYS  37  -2.945   2.722  -6.095
  236    HB3  LYS  37           1HB      LYS  37  -2.258   4.342  -5.986
  237    HG2  LYS  37           2HG      LYS  37   0.037   3.135  -5.850
  238    HG3  LYS  37           1HG      LYS  37  -0.831   1.726  -6.462
  239    HD2  LYS  37           2HD      LYS  37  -1.413   2.826  -8.485
  240    HD3  LYS  37           1HD      LYS  37  -1.000   4.415  -7.834
  241    HE2  LYS  37           2HE      LYS  37   1.391   3.611  -7.639
  242    HE3  LYS  37           1HE      LYS  37   0.909   2.169  -8.533
  243    HZ1  LYS  37           3HZ      LYS  37   1.841   3.939  -9.949
  244    HZ2  LYS  37           1HZ      LYS  37   0.549   4.946  -9.510
  245    HZ3  LYS  37           2HZ      LYS  37   0.251   3.518 -10.378
  246    H    GLU  38           H        GLU  38  -2.954   5.427  -3.820
  247    HA   GLU  38           HA       GLU  38  -0.717   7.068  -3.682
  248    HB2  GLU  38           2HB      GLU  38  -3.393   7.419  -2.322
  249    HB3  GLU  38           1HB      GLU  38  -2.196   8.693  -2.543
  250    HG2  GLU  38           2HG      GLU  38  -3.146   7.110  -4.919
  251    HG3  GLU  38           1HG      GLU  38  -4.125   8.442  -4.299
  252    H    HIS  39           H        HIS  39  -2.346   5.358  -0.980
  253    HA   HIS  39           HA       HIS  39  -0.497   6.587   0.903
  254    HB2  HIS  39           2HB      HIS  39  -1.771   5.675   2.652
  255    HB3  HIS  39           1HB      HIS  39  -2.930   6.161   1.424
  256    HD1  HIS  39           1HD      HIS  39  -4.725   4.495   1.177
  257    HD2  HIS  39           2HD      HIS  39  -1.125   2.654   2.163
  258    HE1  HIS  39           1HE      HIS  39  -5.247   2.046   1.526
  259    HE2  HIS  39           2HE      HIS  39  -3.051   0.900   2.082
  260    H    LEU  40           H        LEU  40  -0.853   3.464  -0.664
  261    HA   LEU  40           HA       LEU  40   0.926   1.961   0.933
  262    HB2  LEU  40           2HB      LEU  40  -0.624   1.076  -0.857
  263    HB3  LEU  40           1HB      LEU  40   0.543   1.649  -2.050
  264    HG   LEU  40           HG       LEU  40   2.278   0.293  -0.657
  265   HD11  LEU  40          1HD1      LEU  40   1.258  -1.683   0.463
  266   HD12  LEU  40          2HD1      LEU  40  -0.339  -0.981   0.205
  267   HD13  LEU  40          3HD1      LEU  40   0.821  -0.173   1.259
  268   HD21  LEU  40          3HD2      LEU  40   1.833  -1.678  -2.010
  269   HD22  LEU  40          1HD2      LEU  40   1.421  -0.250  -2.962
  270   HD23  LEU  40          2HD2      LEU  40   0.145  -1.210  -2.209
  271    H    GLN  41           H        GLN  41   1.521   4.295  -1.620
  272    HA   GLN  41           HA       GLN  41   4.254   3.635  -2.113
  273    HB2  GLN  41           2HB      GLN  41   2.571   5.133  -3.482
  274    HB3  GLN  41           1HB      GLN  41   3.204   6.422  -2.463
  275    HG2  GLN  41           2HG      GLN  41   5.532   5.700  -3.136
  276    HG3  GLN  41           1HG      GLN  41   4.786   4.605  -4.302
  277   HE21  GLN  41          1HE2      GLN  41   6.114   7.665  -4.057
  278   HE22  GLN  41          2HE2      GLN  41   5.300   8.419  -5.353
  279    H    ARG  42           H        ARG  42   2.627   5.778   0.166
  280    HA   ARG  42           HA       ARG  42   4.983   7.108   1.091
  281    HB2  ARG  42           2HB      ARG  42   2.201   6.814   2.217
  282    HB3  ARG  42           1HB      ARG  42   3.461   7.738   3.032
  283    HG2  ARG  42           2HG      ARG  42   3.161   8.385   0.158
  284    HG3  ARG  42           1HG      ARG  42   1.736   8.748   1.127
  285    HD2  ARG  42           2HD      ARG  42   4.493   9.621   2.001
  286    HD3  ARG  42           1HD      ARG  42   3.521  10.598   0.908
  287    HE   ARG  42           HE       ARG  42   3.072  10.205   3.738
  288   HH11  ARG  42          1HH2      ARG  42   1.564  11.088   0.678
  289   HH12  ARG  42          2HH2      ARG  42   0.286  11.962   1.445
  290   HH21  ARG  42          1HH1      ARG  42   1.382  11.351   4.671
  291   HH22  ARG  42          2HH1      ARG  42   0.183  12.113   3.679
  292    H    GLN  43           H        GLN  43   3.360   4.118   1.991
  293    HA   GLN  43           HA       GLN  43   4.745   3.825   4.503
  294    HB2  GLN  43           2HB      GLN  43   3.141   1.881   2.835
  295    HB3  GLN  43           1HB      GLN  43   3.815   1.500   4.421
  296    HG2  GLN  43           2HG      GLN  43   2.589   3.726   5.140
  297    HG3  GLN  43           1HG      GLN  43   1.614   3.411   3.707
  298   HE21  GLN  43          1HE2      GLN  43   0.863   0.934   3.622
  299   HE22  GLN  43          2HE2      GLN  43   0.284   0.318   5.092
  300    H    GLN  44           H        GLN  44   5.315   2.826   1.177
  301    HA   GLN  44           HA       GLN  44   7.390   0.938   1.832
  302    HB2  GLN  44           2HB      GLN  44   6.162   2.035  -0.648
  303    HB3  GLN  44           1HB      GLN  44   7.816   1.449  -0.792
  304    HG2  GLN  44           2HG      GLN  44   6.972  -0.664   0.430
  305    HG3  GLN  44           1HG      GLN  44   5.355  -0.080   0.046
  306   HE21  GLN  44          1HE2      GLN  44   4.704  -1.415  -1.663
  307   HE22  GLN  44          2HE2      GLN  44   5.597  -1.633  -3.097
  308    H    ASN  45           H        ASN  45   7.314   4.226   0.460
  309    HA   ASN  45           HA       ASN  45  10.107   4.569   0.240
  310    HB2  ASN  45           2HB      ASN  45   7.807   6.499   0.437
  311    HB3  ASN  45           1HB      ASN  45   9.472   7.064   0.347
  312   HD21  ASN  45          1HD2      ASN  45   6.869   5.544  -1.491
  313   HD22  ASN  45          2HD2      ASN  45   7.682   5.553  -2.990
  314    H    SER  46           H        SER  46   8.088   4.552   3.051
  315    HA   SER  46           HA       SER  46   9.415   6.344   4.743
  316    HB2  SER  46           2HB      SER  46   7.814   3.850   5.231
  317    HB3  SER  46           1HB      SER  46   8.586   4.690   6.573
  318    HG   SER  46           HG       SER  46   6.470   5.453   4.937
  319    H    GLY  47           H        GLY  47   9.839   2.785   4.656
  320    HA2  GLY  47           2HA      GLY  47  12.371   2.234   4.410
  321    HA3  GLY  47           1HA      GLY  47  12.478   3.117   5.931
  322    H    ARG  48           H        ARG  48  10.653   0.432   4.429
  323    HA   ARG  48           HA       ARG  48   9.714  -0.766   6.788
  324    HB2  ARG  48           2HB      ARG  48   9.078  -1.271   4.357
  325    HB3  ARG  48           1HB      ARG  48  10.493  -2.322   4.330
  326    HG2  ARG  48           2HG      ARG  48   9.422  -3.273   6.566
  327    HG3  ARG  48           1HG      ARG  48   7.939  -2.614   5.876
  328    HD2  ARG  48           2HD      ARG  48   8.373  -3.877   3.784
  329    HD3  ARG  48           1HD      ARG  48   9.811  -4.572   4.520
  330    HE   ARG  48           HE       ARG  48   7.560  -5.069   6.177
  331   HH11  ARG  48          1HH2      ARG  48   8.933  -6.077   3.095
  332   HH12  ARG  48          2HH2      ARG  48   8.219  -7.649   3.175
  333   HH21  ARG  48          1HH1      ARG  48   6.653  -7.123   6.215
  334   HH22  ARG  48          2HH1      ARG  48   6.943  -8.237   4.919
  335    H    MET  49           H        MET  49  12.803  -1.130   5.105
  336    HA   MET  49           HA       MET  49  13.706  -3.253   6.868
  337    HB2  MET  49           2HB      MET  49  14.723  -1.886   4.435
  338    HB3  MET  49           1HB      MET  49  15.964  -2.428   5.562
  339    HG2  MET  49           2HG      MET  49  14.648  -4.675   5.577
  340    HG3  MET  49           1HG      MET  49  13.906  -4.072   4.096
  341    HE1  MET  49           3HE      MET  49  18.229  -4.544   5.153
  342    HE2  MET  49           1HE      MET  49  17.392  -6.102   5.175
  343    HE3  MET  49           2HE      MET  49  16.776  -4.754   6.127
  344    H    SER  50           H        SER  50  14.564   0.162   6.276
  345    HA   SER  50           HA       SER  50  15.375   0.405   9.085
  346    HB2  SER  50           2HB      SER  50  17.444   1.684   8.259
  347    HB3  SER  50           1HB      SER  50  17.493  -0.074   8.156
  348    HG   SER  50           HG       SER  50  17.040   0.060   5.990
  349    HA   PRO  51           HA       PRO  51  12.744   3.998   7.800
  350    HB2  PRO  51           2HB      PRO  51  12.733   4.373  10.756
  351    HB3  PRO  51           1HB      PRO  51  11.377   4.357   9.614
  352    HG2  PRO  51           2HG      PRO  51  11.845   2.324  11.269
  353    HG3  PRO  51           1HG      PRO  51  11.217   2.073   9.631
  354    HD2  PRO  51           2HD      PRO  51  13.978   1.599  10.683
  355    HD3  PRO  51           1HD      PRO  51  13.074   0.709   9.437
  356    H    MET  52           H        MET  52  14.797   4.351  10.715
  357    HA   MET  52           HA       MET  52  16.140   6.658   9.424
  358    HB2  MET  52           2HB      MET  52  15.068   6.361  12.225
  359    HB3  MET  52           1HB      MET  52  16.380   7.481  11.865
  360    HG2  MET  52           2HG      MET  52  14.548   8.872  11.545
  361    HG3  MET  52           1HG      MET  52  14.775   8.257   9.909
  362    HE1  MET  52           3HE      MET  52  10.975   8.409   9.960
  363    HE2  MET  52           1HE      MET  52  12.508   8.943   9.256
  364    HE3  MET  52           2HE      MET  52  12.010   9.532  10.838
  365    H    GLY  53           H        GLY  53  16.400   4.240  12.044
  366    HA2  GLY  53           2HA      GLY  53  18.552   2.829  11.541
  367    HA3  GLY  53           1HA      GLY  53  19.331   4.372  11.878
  368    H    THR  54           H        THR  54  17.506   5.233  13.923
  369    HA   THR  54           HA       THR  54  17.904   3.220  16.048
  370    HB   THR  54           HB       THR  54  19.752   4.766  16.288
  371    HG1  THR  54           1HG      THR  54  19.269   5.499  18.358
  372   HG21  THR  54          3HG2      THR  54  19.088   6.699  15.089
  373   HG22  THR  54          1HG2      THR  54  19.149   7.226  16.771
  374   HG23  THR  54          2HG2      THR  54  17.597   6.862  16.017
  375    H    ALA  55           H        ALA  55  16.412   3.279  17.746
  376    HA   ALA  55           HA       ALA  55  14.233   5.237  17.619
  377    HB1  ALA  55           1HB      ALA  55  13.608   3.267  16.176
  378    HB2  ALA  55           2HB      ALA  55  12.505   3.569  17.519
  379    HB3  ALA  55           3HB      ALA  55  13.685   2.263  17.623
  380    H    SER  56           H        SER  56  13.094   5.469  19.569
  381    HA   SER  56           HA       SER  56  13.816   3.786  21.845
  382    HB2  SER  56           2HB      SER  56  14.260   6.773  21.955
  383    HB3  SER  56           1HB      SER  56  14.628   5.592  23.208
  384    HG   SER  56           HG       SER  56  16.433   6.265  21.846
  385    H    GLY  57           H        GLY  57  12.401   4.045  23.648
  386    HA2  GLY  57           2HA      GLY  57  10.559   5.376  24.657
  387    HA3  GLY  57           1HA      GLY  57   9.900   5.520  23.031
  388    H    SER  58           H        SER  58  10.833   3.081  25.461
  389    HA   SER  58           HA       SER  58   8.810   1.239  24.347
  390    HB2  SER  58           2HB      SER  58  11.162   0.757  26.190
  391    HB3  SER  58           1HB      SER  58   9.991  -0.477  25.732
  392    HG   SER  58           HG       SER  58  11.755  -0.546  24.334
  393    H    ASN  59           H        ASN  59   8.046   3.535  25.935
  394    HA   ASN  59           HA       ASN  59   7.517   2.758  28.635
  395    HB2  ASN  59           2HB      ASN  59   5.968   4.717  28.631
  396    HB3  ASN  59           1HB      ASN  59   7.594   5.110  28.079
  397   HD21  ASN  59          1HD2      ASN  59   7.712   6.199  26.103
  398   HD22  ASN  59          2HD2      ASN  59   6.460   6.266  24.959
  399    H    SER  60           H        SER  60   5.589   2.063  29.581
  400    HA   SER  60           HA       SER  60   3.894   0.462  27.834
  401    HB2  SER  60           2HB      SER  60   2.865  -0.171  30.114
  402    HB3  SER  60           1HB      SER  60   4.516  -0.689  29.790
  403    HG   SER  60           HG       SER  60   5.201   0.604  31.308
  404    HA   PRO  61           HA       PRO  61   0.506   3.317  27.772
  405    HB2  PRO  61           2HB      PRO  61  -1.681   1.693  27.738
  406    HB3  PRO  61           1HB      PRO  61  -0.578   1.852  26.355
  407    HG2  PRO  61           2HG      PRO  61  -0.742  -0.298  28.409
  408    HG3  PRO  61           1HG      PRO  61  -0.457  -0.419  26.663
  409    HD2  PRO  61           2HD      PRO  61   1.551  -0.571  28.534
  410    HD3  PRO  61           1HD      PRO  61   1.803  -0.004  26.870
  411    H    THR  62           H        THR  62  -0.012   4.593  29.453
  412    HA   THR  62           HA       THR  62  -0.645   5.330  31.526
  413    HB   THR  62           HB       THR  62  -2.766   4.480  32.362
  414    HG1  THR  62           1HG      THR  62  -2.869   2.383  32.185
  415   HG21  THR  62          3HG2      THR  62  -2.915   5.946  30.447
  416   HG22  THR  62          1HG2      THR  62  -4.099   4.655  30.239
  417   HG23  THR  62          2HG2      THR  62  -2.581   4.613  29.342
  Start of MODEL   20
    1    H1   GLY   1           1HT      GLY   1 -36.624  -7.861  26.253
    2    H2   GLY   1           2HT      GLY   1 -35.572  -9.014  26.924
    3    H3   GLY   1           3HT      GLY   1 -37.086  -8.724  27.638
    4    HA2  GLY   1           2HA      GLY   1 -37.308 -10.736  26.458
    5    HA3  GLY   1           1HA      GLY   1 -38.133  -9.495  25.514
    6    H    SER   2           H        SER   2 -37.647  -9.450  23.409
    7    HA   SER   2           HA       SER   2 -35.363 -10.942  22.410
    8    HB2  SER   2           2HB      SER   2 -37.311  -9.316  20.780
    9    HB3  SER   2           1HB      SER   2 -36.330 -10.684  20.260
   10    HG   SER   2           HG       SER   2 -38.517 -11.256  20.694
   11    H    MET   3           H        MET   3 -33.997  -9.954  20.667
   12    HA   MET   3           HA       MET   3 -32.818  -7.512  21.648
   13    HB2  MET   3           2HB      MET   3 -31.218  -7.828  19.753
   14    HB3  MET   3           1HB      MET   3 -31.343  -9.235  20.805
   15    HG2  MET   3           2HG      MET   3 -32.571 -10.469  19.227
   16    HG3  MET   3           1HG      MET   3 -33.071  -9.025  18.346
   17    HE1  MET   3           3HE      MET   3 -30.689 -11.510  16.231
   18    HE2  MET   3           1HE      MET   3 -32.329 -11.324  16.868
   19    HE3  MET   3           2HE      MET   3 -31.074 -12.064  17.859
   20    H    ALA   4           H        ALA   4 -32.792  -5.499  20.703
   21    HA   ALA   4           HA       ALA   4 -34.383  -5.085  18.256
   22    HB1  ALA   4           1HB      ALA   4 -35.811  -4.639  20.267
   23    HB2  ALA   4           2HB      ALA   4 -35.572  -3.224  19.241
   24    HB3  ALA   4           3HB      ALA   4 -34.666  -3.386  20.745
   25    H    GLN   5           H        GLN   5 -32.596  -3.171  20.703
   26    HA   GLN   5           HA       GLN   5 -31.235  -1.753  18.499
   27    HB2  GLN   5           2HB      GLN   5 -32.540  -0.522  20.352
   28    HB3  GLN   5           1HB      GLN   5 -31.181  -0.936  21.398
   29    HG2  GLN   5           2HG      GLN   5 -29.643   0.290  20.073
   30    HG3  GLN   5           1HG      GLN   5 -30.766   0.389  18.718
   31   HE21  GLN   5          1HE2      GLN   5 -29.519   2.198  21.254
   32   HE22  GLN   5          2HE2      GLN   5 -30.781   3.337  21.405
   33    H    GLU   6           H        GLU   6 -30.459  -4.445  19.310
   34    HA   GLU   6           HA       GLU   6 -28.028  -4.201  20.871
   35    HB2  GLU   6           2HB      GLU   6 -29.369  -6.465  19.400
   36    HB3  GLU   6           1HB      GLU   6 -27.755  -6.637  20.087
   37    HG2  GLU   6           2HG      GLU   6 -30.011  -5.569  21.766
   38    HG3  GLU   6           1HG      GLU   6 -29.813  -7.305  21.542
   39    H    THR   7           H        THR   7 -28.922  -4.701  17.473
   40    HA   THR   7           HA       THR   7 -26.215  -4.913  16.549
   41    HB   THR   7           HB       THR   7 -27.285  -4.652  14.284
   42    HG1  THR   7           1HG      THR   7 -29.401  -4.297  14.164
   43   HG21  THR   7          3HG2      THR   7 -28.619  -6.660  16.120
   44   HG22  THR   7          1HG2      THR   7 -26.998  -6.847  15.454
   45   HG23  THR   7          2HG2      THR   7 -28.395  -6.816  14.378
   46    H    ASN   8           H        ASN   8 -24.900  -3.225  16.845
   47    HA   ASN   8           HA       ASN   8 -25.867  -0.510  16.181
   48    HB2  ASN   8           2HB      ASN   8 -23.857   0.254  17.469
   49    HB3  ASN   8           1HB      ASN   8 -25.023  -0.641  18.439
   50   HD21  ASN   8          1HD2      ASN   8 -24.324  -2.593  19.422
   51   HD22  ASN   8          2HD2      ASN   8 -22.759  -3.239  19.218
   52    H    GLN   9           H        GLN   9 -23.247  -2.827  15.632
   53    HA   GLN   9           HA       GLN   9 -22.035  -1.080  13.616
   54    HB2  GLN   9           2HB      GLN   9 -20.278  -2.846  13.511
   55    HB3  GLN   9           1HB      GLN   9 -20.496  -2.187  15.131
   56    HG2  GLN   9           2HG      GLN   9 -21.624  -4.114  15.895
   57    HG3  GLN   9           1HG      GLN   9 -21.984  -4.663  14.258
   58   HE21  GLN   9          1HE2      GLN   9 -20.486  -6.068  13.276
   59   HE22  GLN   9          2HE2      GLN   9 -18.975  -6.471  13.957
   60    H    THR  10           H        THR  10 -21.460  -1.987  11.485
   61    HA   THR  10           HA       THR  10 -22.968  -4.260  10.516
   62    HB   THR  10           HB       THR  10 -24.712  -2.587  10.356
   63    HG1  THR  10           1HG      THR  10 -25.162  -3.287   8.445
   64   HG21  THR  10          3HG2      THR  10 -24.456  -0.446   9.509
   65   HG22  THR  10          1HG2      THR  10 -23.092  -0.901   8.487
   66   HG23  THR  10          2HG2      THR  10 -22.861  -0.691  10.222
   67    HA   PRO  11           HA       PRO  11 -19.054  -3.613   8.213
   68    HB2  PRO  11           2HB      PRO  11 -18.281  -6.214   8.072
   69    HB3  PRO  11           1HB      PRO  11 -18.029  -5.219   9.519
   70    HG2  PRO  11           2HG      PRO  11 -20.041  -7.325   9.001
   71    HG3  PRO  11           1HG      PRO  11 -19.232  -6.877  10.509
   72    HD2  PRO  11           2HD      PRO  11 -21.837  -6.130   9.776
   73    HD3  PRO  11           1HD      PRO  11 -20.868  -5.381  11.061
   74    H    GLY  12           H        GLY  12 -19.370  -3.177   6.099
   75    HA2  GLY  12           2HA      GLY  12 -19.816  -5.197   4.159
   76    HA3  GLY  12           1HA      GLY  12 -21.308  -4.297   4.430
   77    HA   PRO  13           HA       PRO  13 -19.716  -1.046   1.862
   78    HB2  PRO  13           2HB      PRO  13 -20.438   1.284   3.028
   79    HB3  PRO  13           1HB      PRO  13 -21.640   0.133   2.407
   80    HG2  PRO  13           2HG      PRO  13 -20.776   0.645   5.203
   81    HG3  PRO  13           1HG      PRO  13 -22.389   0.273   4.564
   82    HD2  PRO  13           2HD      PRO  13 -20.693  -1.578   5.784
   83    HD3  PRO  13           1HD      PRO  13 -22.051  -1.991   4.710
   84    H    MET  14           H        MET  14 -17.443  -1.580   2.186
   85    HA   MET  14           HA       MET  14 -15.861  -0.302   4.194
   86    HB2  MET  14           2HB      MET  14 -15.310  -1.941   1.747
   87    HB3  MET  14           1HB      MET  14 -13.985  -1.036   2.474
   88    HG2  MET  14           2HG      MET  14 -15.742  -2.679   4.266
   89    HG3  MET  14           1HG      MET  14 -14.553  -3.511   3.273
   90    HE1  MET  14           3HE      MET  14 -14.775  -0.408   6.018
   91    HE2  MET  14           1HE      MET  14 -14.109  -1.574   7.171
   92    HE3  MET  14           2HE      MET  14 -15.522  -1.991   6.204
   93    H    LEU  15           H        LEU  15 -16.541   1.923   3.937
   94    HA   LEU  15           HA       LEU  15 -15.901   3.347   1.504
   95    HB2  LEU  15           2HB      LEU  15 -17.477   3.822   3.826
   96    HB3  LEU  15           1HB      LEU  15 -16.265   5.100   3.789
   97    HG   LEU  15           HG       LEU  15 -16.901   5.456   1.346
   98   HD11  LEU  15          1HD1      LEU  15 -19.130   3.597   2.211
   99   HD12  LEU  15          2HD1      LEU  15 -18.012   3.369   0.865
  100   HD13  LEU  15          3HD1      LEU  15 -19.235   4.640   0.791
  101   HD21  LEU  15          3HD2      LEU  15 -18.859   6.800   1.923
  102   HD22  LEU  15          1HD2      LEU  15 -17.686   6.896   3.236
  103   HD23  LEU  15          2HD2      LEU  15 -19.104   5.861   3.394
  104    H    CYS  16           H        CYS  16 -14.201   4.802   1.180
  105    HA   CYS  16           HA       CYS  16 -11.676   4.178   1.899
  106    HB2  CYS  16           2HB      CYS  16 -12.597   5.994   0.291
  107    HB3  CYS  16           1HB      CYS  16 -12.398   7.081   1.665
  108    H    SER  17           H        SER  17 -10.642   3.999   3.749
  109    HA   SER  17           HA       SER  17 -11.453   4.982   6.250
  110    HB2  SER  17           2HB      SER  17  -9.000   3.732   5.162
  111    HB3  SER  17           1HB      SER  17  -8.790   4.650   6.654
  112    HG   SER  17           HG       SER  17 -10.377   3.400   7.608
  113    H    THR  18           H        THR  18  -9.674   6.594   3.706
  114    HA   THR  18           HA       THR  18  -8.571   8.635   5.429
  115    HB   THR  18           HB       THR  18  -7.741   9.660   3.393
  116    HG1  THR  18           1HG      THR  18  -8.688   9.325   1.563
  117   HG21  THR  18          3HG2      THR  18  -6.846   7.352   4.362
  118   HG22  THR  18          1HG2      THR  18  -6.199   8.015   2.859
  119   HG23  THR  18          2HG2      THR  18  -7.414   6.739   2.808
  120    H    GLY  19           H        GLY  19 -11.675   8.167   4.037
  121    HA2  GLY  19           2HA      GLY  19 -13.545   9.501   4.254
  122    HA3  GLY  19           1HA      GLY  19 -12.533  10.759   4.963
  123    H    CYS  20           H        CYS  20 -12.294   9.203   1.747
  124    HA   CYS  20           HA       CYS  20 -12.217  11.866   0.560
  125    HB2  CYS  20           2HB      CYS  20 -11.241  10.931  -1.337
  126    HB3  CYS  20           1HB      CYS  20 -10.592   9.963  -0.019
  127    H    GLY  21           H        GLY  21 -14.610   9.476   1.106
  128    HA2  GLY  21           2HA      GLY  21 -16.901   9.843   0.764
  129    HA3  GLY  21           1HA      GLY  21 -16.508  11.043  -0.459
  130    H    PHE  22           H        PHE  22 -14.720   8.258  -1.121
  131    HA   PHE  22           HA       PHE  22 -16.706   7.384  -3.112
  132    HB2  PHE  22           2HB      PHE  22 -13.689   7.303  -3.082
  133    HB3  PHE  22           1HB      PHE  22 -14.627   6.344  -4.219
  134    HD1  PHE  22           1HD      PHE  22 -16.723   7.842  -5.252
  135    HD2  PHE  22           2HD      PHE  22 -12.898   9.310  -3.954
  136    HE1  PHE  22           1HE      PHE  22 -16.984   9.820  -6.720
  137    HE2  PHE  22           2HE      PHE  22 -13.167  11.293  -5.416
  138    HZ   PHE  22           HZ       PHE  22 -15.208  11.543  -6.794
  139    H    TYR  23           H        TYR  23 -15.753   4.878  -3.745
  140    HA   TYR  23           HA       TYR  23 -16.457   3.379  -1.318
  141    HB2  TYR  23           2HB      TYR  23 -17.593   3.123  -3.650
  142    HB3  TYR  23           1HB      TYR  23 -16.163   2.168  -4.052
  143    HD1  TYR  23           1HD      TYR  23 -18.720   2.526  -1.324
  144    HD2  TYR  23           2HD      TYR  23 -16.156  -0.102  -3.555
  145    HE1  TYR  23           1HE      TYR  23 -19.671   0.577  -0.123
  146    HE2  TYR  23           2HE      TYR  23 -17.107  -2.051  -2.356
  147    HH   TYR  23           HH       TYR  23 -18.336  -2.234   0.159
  148    H    GLY  24           H        GLY  24 -15.206   1.806  -0.410
  149    HA2  GLY  24           2HA      GLY  24 -12.446   1.497  -1.459
  150    HA3  GLY  24           1HA      GLY  24 -12.842   1.506   0.262
  151    H    ASN  25           H        ASN  25 -11.424  -0.634  -0.601
  152    HA   ASN  25           HA       ASN  25 -13.432  -2.810  -0.796
  153    HB2  ASN  25           2HB      ASN  25 -11.668  -2.280  -2.733
  154    HB3  ASN  25           1HB      ASN  25 -10.622  -3.253  -1.708
  155   HD21  ASN  25          1HD2      ASN  25 -13.979  -3.379  -3.062
  156   HD22  ASN  25          2HD2      ASN  25 -13.943  -5.058  -3.359
  157    HA   PRO  26           HA       PRO  26 -11.545  -4.196   2.997
  158    HB2  PRO  26           2HB      PRO  26 -12.585  -6.706   3.177
  159    HB3  PRO  26           1HB      PRO  26 -13.499  -5.225   3.505
  160    HG2  PRO  26           2HG      PRO  26 -13.582  -7.011   1.154
  161    HG3  PRO  26           1HG      PRO  26 -14.860  -6.020   1.870
  162    HD2  PRO  26           2HD      PRO  26 -13.373  -5.371  -0.427
  163    HD3  PRO  26           1HD      PRO  26 -14.385  -4.252   0.509
  164    H    ARG  27           H        ARG  27 -11.025  -5.921  -0.011
  165    HA   ARG  27           HA       ARG  27  -9.042  -7.752   1.002
  166    HB2  ARG  27           2HB      ARG  27  -9.968  -6.884  -1.721
  167    HB3  ARG  27           1HB      ARG  27  -8.460  -7.782  -1.557
  168    HG2  ARG  27           2HG      ARG  27  -9.979  -9.523  -1.813
  169    HG3  ARG  27           1HG      ARG  27  -9.930  -9.386  -0.055
  170    HD2  ARG  27           2HD      ARG  27 -11.902  -7.811  -0.217
  171    HD3  ARG  27           1HD      ARG  27 -12.010  -8.229  -1.926
  172    HE   ARG  27           HE       ARG  27 -11.992 -10.542  -0.199
  173   HH11  ARG  27          1HH2      ARG  27 -14.054  -8.057  -1.598
  174   HH12  ARG  27          2HH2      ARG  27 -15.477  -9.029  -1.483
  175   HH21  ARG  27          1HH1      ARG  27 -13.882 -11.746  -0.066
  176   HH22  ARG  27          2HH1      ARG  27 -15.384 -11.093  -0.635
  177    H    THR  28           H        THR  28  -9.129  -4.531  -0.392
  178    HA   THR  28           HA       THR  28  -6.264  -4.263  -0.632
  179    HB   THR  28           HB       THR  28  -6.770  -1.907  -1.150
  180    HG1  THR  28           1HG      THR  28  -8.429  -1.124  -0.157
  181   HG21  THR  28          3HG2      THR  28  -8.464  -4.049  -2.414
  182   HG22  THR  28          1HG2      THR  28  -7.044  -3.232  -3.062
  183   HG23  THR  28          2HG2      THR  28  -8.584  -2.380  -2.962
  184    H    ASN  29           H        ASN  29  -6.059  -1.631   0.687
  185    HA   ASN  29           HA       ASN  29  -5.794  -2.611   3.438
  186    HB2  ASN  29           2HB      ASN  29  -4.543  -0.442   1.827
  187    HB3  ASN  29           1HB      ASN  29  -4.717  -0.138   3.557
  188   HD21  ASN  29          1HD2      ASN  29  -3.788  -2.997   1.530
  189   HD22  ASN  29          2HD2      ASN  29  -2.425  -3.393   2.479
  190    H    GLY  30           H        GLY  30  -8.496  -1.833   2.260
  191    HA2  GLY  30           2HA      GLY  30 -10.390  -1.036   3.328
  192    HA3  GLY  30           1HA      GLY  30  -9.358  -0.238   4.511
  193    H    MET  31           H        MET  31  -8.428   0.420   1.258
  194    HA   MET  31           HA       MET  31  -9.891   2.993   1.301
  195    HB2  MET  31           2HB      MET  31  -7.002   2.380   0.762
  196    HB3  MET  31           1HB      MET  31  -7.760   3.803   0.045
  197    HG2  MET  31           2HG      MET  31  -6.918   4.634   2.049
  198    HG3  MET  31           1HG      MET  31  -8.589   4.284   2.473
  199    HE1  MET  31           3HE      MET  31  -5.653   4.659   3.599
  200    HE2  MET  31           1HE      MET  31  -4.734   3.162   3.784
  201    HE3  MET  31           2HE      MET  31  -5.688   3.787   5.126
  202    H    CYS  32           H        CYS  32  -9.994   4.045  -0.838
  203    HA   CYS  32           HA       CYS  32 -11.225   2.443  -2.783
  204    HB2  CYS  32           2HB      CYS  32  -9.870   5.108  -3.244
  205    HB3  CYS  32           1HB      CYS  32 -11.094   4.377  -4.275
  206    H    SER  33           H        SER  33 -10.391   2.594  -5.214
  207    HA   SER  33           HA       SER  33  -8.042   0.948  -5.349
  208    HB2  SER  33           2HB      SER  33  -9.456   2.316  -7.646
  209    HB3  SER  33           1HB      SER  33  -8.429   0.886  -7.717
  210    HG   SER  33           HG       SER  33 -11.068   1.138  -7.028
  211    H    VAL  34           H        VAL  34  -8.816   4.307  -6.185
  212    HA   VAL  34           HA       VAL  34  -6.175   4.948  -7.136
  213    HB   VAL  34           HB       VAL  34  -8.301   6.887  -6.175
  214   HG11  VAL  34          1HG1      VAL  34  -6.088   7.866  -6.565
  215   HG12  VAL  34          2HG1      VAL  34  -7.204   8.386  -7.827
  216   HG13  VAL  34          3HG1      VAL  34  -6.021   7.123  -8.163
  217   HG21  VAL  34          3HG2      VAL  34  -8.082   5.281  -8.704
  218   HG22  VAL  34          1HG2      VAL  34  -8.690   6.936  -8.809
  219   HG23  VAL  34          2HG2      VAL  34  -9.521   5.751  -7.800
  220    H    CYS  35           H        CYS  35  -7.945   5.250  -4.124
  221    HA   CYS  35           HA       CYS  35  -5.965   6.795  -2.747
  222    HB2  CYS  35           2HB      CYS  35  -8.254   5.116  -1.689
  223    HB3  CYS  35           1HB      CYS  35  -7.280   6.229  -0.723
  224    H    TYR  36           H        TYR  36  -6.666   3.327  -2.993
  225    HA   TYR  36           HA       TYR  36  -4.974   2.350  -0.996
  226    HB2  TYR  36           2HB      TYR  36  -6.544   0.883  -2.133
  227    HB3  TYR  36           1HB      TYR  36  -5.720   1.123  -3.671
  228    HD1  TYR  36           2HD      TYR  36  -4.380   0.401  -0.221
  229    HD2  TYR  36           1HD      TYR  36  -4.753  -0.921  -4.293
  230    HE1  TYR  36           2HE      TYR  36  -2.874  -1.506   0.260
  231    HE2  TYR  36           1HE      TYR  36  -3.241  -2.828  -3.811
  232    HH   TYR  36           HH       TYR  36  -2.528  -3.893  -0.801
  233    H    LYS  37           H        LYS  37  -4.223   3.311  -4.297
  234    HA   LYS  37           HA       LYS  37  -1.475   2.441  -4.181
  235    HB2  LYS  37           2HB      LYS  37  -2.884   2.650  -6.292
  236    HB3  LYS  37           1HB      LYS  37  -2.665   4.397  -6.151
  237    HG2  LYS  37           2HG      LYS  37  -0.140   3.865  -5.970
  238    HG3  LYS  37           1HG      LYS  37  -0.570   2.274  -6.601
  239    HD2  LYS  37           2HD      LYS  37  -1.446   3.210  -8.624
  240    HD3  LYS  37           1HD      LYS  37  -1.398   4.844  -7.966
  241    HE2  LYS  37           2HE      LYS  37   1.049   4.768  -7.878
  242    HE3  LYS  37           1HE      LYS  37   1.036   3.107  -8.472
  243    HZ1  LYS  37           3HZ      LYS  37   1.452   4.584 -10.289
  244    HZ2  LYS  37           1HZ      LYS  37   0.086   5.520  -9.920
  245    HZ3  LYS  37           2HZ      LYS  37  -0.103   3.927 -10.483
  246    H    GLU  38           H        GLU  38  -3.200   5.533  -3.974
  247    HA   GLU  38           HA       GLU  38  -1.042   7.273  -3.818
  248    HB2  GLU  38           2HB      GLU  38  -3.799   7.423  -2.610
  249    HB3  GLU  38           1HB      GLU  38  -2.633   8.739  -2.471
  250    HG2  GLU  38           2HG      GLU  38  -3.299   7.514  -5.144
  251    HG3  GLU  38           1HG      GLU  38  -4.270   8.824  -4.462
  252    H    HIS  39           H        HIS  39  -2.550   5.417  -1.140
  253    HA   HIS  39           HA       HIS  39  -0.737   6.694   0.751
  254    HB2  HIS  39           2HB      HIS  39  -1.886   5.628   2.507
  255    HB3  HIS  39           1HB      HIS  39  -3.122   6.094   1.350
  256    HD1  HIS  39           1HD      HIS  39  -4.851   4.328   1.244
  257    HD2  HIS  39           2HD      HIS  39  -1.052   2.675   1.729
  258    HE1  HIS  39           1HE      HIS  39  -5.165   1.819   1.359
  259    HE2  HIS  39           2HE      HIS  39  -2.863   0.794   1.639
  260    H    LEU  40           H        LEU  40  -0.933   3.649  -0.967
  261    HA   LEU  40           HA       LEU  40   0.959   2.182   0.519
  262    HB2  LEU  40           2HB      LEU  40  -0.550   1.288  -1.305
  263    HB3  LEU  40           1HB      LEU  40   0.579   1.982  -2.474
  264    HG   LEU  40           HG       LEU  40   2.413   0.685  -1.214
  265   HD11  LEU  40          1HD1      LEU  40   1.421   0.004   0.799
  266   HD12  LEU  40          2HD1      LEU  40   1.322  -1.460  -0.177
  267   HD13  LEU  40          3HD1      LEU  40  -0.098  -0.431   0.015
  268   HD21  LEU  40          3HD2      LEU  40   1.855  -0.120  -3.362
  269   HD22  LEU  40          1HD2      LEU  40   0.231  -0.588  -2.858
  270   HD23  LEU  40          2HD2      LEU  40   1.626  -1.526  -2.322
  271    H    GLN  41           H        GLN  41   1.398   4.801  -1.785
  272    HA   GLN  41           HA       GLN  41   4.130   4.292  -2.402
  273    HB2  GLN  41           2HB      GLN  41   2.149   6.117  -3.230
  274    HB3  GLN  41           1HB      GLN  41   3.412   7.122  -2.525
  275    HG2  GLN  41           2HG      GLN  41   5.065   5.762  -3.944
  276    HG3  GLN  41           1HG      GLN  41   3.649   5.152  -4.806
  277   HE21  GLN  41          1HE2      GLN  41   2.383   6.697  -6.083
  278   HE22  GLN  41          2HE2      GLN  41   3.035   8.216  -6.507
  279    H    ARG  42           H        ARG  42   2.487   6.166   0.109
  280    HA   ARG  42           HA       ARG  42   4.903   7.331   1.154
  281    HB2  ARG  42           2HB      ARG  42   2.442   8.170   1.362
  282    HB3  ARG  42           1HB      ARG  42   2.356   7.057   2.726
  283    HG2  ARG  42           2HG      ARG  42   4.718   8.898   2.583
  284    HG3  ARG  42           1HG      ARG  42   3.162   9.594   3.032
  285    HD2  ARG  42           2HD      ARG  42   3.064   7.505   4.659
  286    HD3  ARG  42           1HD      ARG  42   4.811   7.556   4.481
  287    HE   ARG  42           HE       ARG  42   3.138   9.511   5.839
  288   HH11  ARG  42          1HH2      ARG  42   6.305   8.872   4.429
  289   HH12  ARG  42          2HH2      ARG  42   7.071  10.122   5.346
  290   HH21  ARG  42          1HH1      ARG  42   4.197  11.126   6.982
  291   HH22  ARG  42          2HH1      ARG  42   5.898  11.381   6.772
  292    H    GLN  43           H        GLN  43   2.997   4.443   1.795
  293    HA   GLN  43           HA       GLN  43   4.231   3.778   4.284
  294    HB2  GLN  43           2HB      GLN  43   2.014   2.901   3.283
  295    HB3  GLN  43           1HB      GLN  43   3.035   1.763   2.401
  296    HG2  GLN  43           2HG      GLN  43   4.105   1.233   4.686
  297    HG3  GLN  43           1HG      GLN  43   2.709   2.056   5.385
  298   HE21  GLN  43          1HE2      GLN  43   0.512   1.138   4.766
  299   HE22  GLN  43          2HE2      GLN  43   0.403  -0.519   4.407
  300    H    GLN  44           H        GLN  44   4.816   2.804   0.915
  301    HA   GLN  44           HA       GLN  44   6.783   0.858   1.366
  302    HB2  GLN  44           2HB      GLN  44   5.563   1.652  -0.832
  303    HB3  GLN  44           1HB      GLN  44   6.998   2.657  -1.016
  304    HG2  GLN  44           2HG      GLN  44   7.575   0.662  -2.138
  305    HG3  GLN  44           1HG      GLN  44   8.334   0.481  -0.558
  306   HE21  GLN  44          1HE2      GLN  44   6.021  -0.892  -2.748
  307   HE22  GLN  44          2HE2      GLN  44   5.460  -2.123  -1.708
  308    H    ASN  45           H        ASN  45   7.019   4.346   1.528
  309    HA   ASN  45           HA       ASN  45   9.808   4.660   1.197
  310    HB2  ASN  45           2HB      ASN  45   7.612   6.248   2.444
  311    HB3  ASN  45           1HB      ASN  45   9.260   6.675   2.889
  312   HD21  ASN  45          1HD2      ASN  45   7.945   5.530  -0.271
  313   HD22  ASN  45          2HD2      ASN  45   8.480   6.894  -1.144
  314    H    SER  46           H        SER  46   7.998   3.256   3.809
  315    HA   SER  46           HA       SER  46   9.672   3.760   6.006
  316    HB2  SER  46           2HB      SER  46   7.382   2.681   6.051
  317    HB3  SER  46           1HB      SER  46   8.153   1.191   5.510
  318    HG   SER  46           HG       SER  46   8.011   1.279   7.781
  319    H    GLY  47           H        GLY  47   9.880   1.327   3.447
  320    HA2  GLY  47           2HA      GLY  47  12.018   0.507   2.709
  321    HA3  GLY  47           1HA      GLY  47  12.615   0.674   4.358
  322    H    ARG  48           H        ARG  48  10.481  -0.545   5.739
  323    HA   ARG  48           HA       ARG  48  11.143  -3.319   5.316
  324    HB2  ARG  48           2HB      ARG  48  10.700  -2.068   7.560
  325    HB3  ARG  48           1HB      ARG  48   9.001  -2.368   7.194
  326    HG2  ARG  48           2HG      ARG  48   9.565  -4.276   8.421
  327    HG3  ARG  48           1HG      ARG  48   9.805  -4.829   6.764
  328    HD2  ARG  48           2HD      ARG  48  12.239  -4.066   7.026
  329    HD3  ARG  48           1HD      ARG  48  11.904  -3.944   8.750
  330    HE   ARG  48           HE       ARG  48  11.062  -6.465   8.110
  331   HH11  ARG  48          1HH2      ARG  48  14.094  -4.745   7.613
  332   HH12  ARG  48          2HH2      ARG  48  15.043  -6.185   7.710
  333   HH21  ARG  48          1HH1      ARG  48  12.358  -8.299   8.234
  334   HH22  ARG  48          2HH1      ARG  48  14.076  -8.172   8.059
  335    H    MET  49           H        MET  49   9.957  -4.872   4.350
  336    HA   MET  49           HA       MET  49   7.470  -4.066   3.012
  337    HB2  MET  49           2HB      MET  49   9.452  -6.295   2.630
  338    HB3  MET  49           1HB      MET  49   7.832  -6.412   1.941
  339    HG2  MET  49           2HG      MET  49   8.148  -4.424   0.637
  340    HG3  MET  49           1HG      MET  49   9.634  -4.022   1.496
  341    HE1  MET  49           3HE      MET  49  12.011  -4.530  -0.053
  342    HE2  MET  49           1HE      MET  49  10.614  -3.520  -0.445
  343    HE3  MET  49           2HE      MET  49  11.303  -4.589  -1.665
  344    H    SER  50           H        SER  50   5.691  -5.707   2.931
  345    HA   SER  50           HA       SER  50   5.529  -7.673   5.031
  346    HB2  SER  50           2HB      SER  50   5.086  -5.355   6.110
  347    HB3  SER  50           1HB      SER  50   3.546  -5.427   5.259
  348    HG   SER  50           HG       SER  50   2.923  -6.667   6.830
  349    HA   PRO  51           HA       PRO  51   2.786  -8.573   1.438
  350    HB2  PRO  51           2HB      PRO  51   3.131 -11.278   1.447
  351    HB3  PRO  51           1HB      PRO  51   4.278 -10.162   0.684
  352    HG2  PRO  51           2HG      PRO  51   4.441 -11.532   3.320
  353    HG3  PRO  51           1HG      PRO  51   5.711 -11.234   2.122
  354    HD2  PRO  51           2HD      PRO  51   5.392  -9.715   4.388
  355    HD3  PRO  51           1HD      PRO  51   6.118  -9.099   2.889
  356    H    MET  52           H        MET  52   2.909 -10.255   4.566
  357    HA   MET  52           HA       MET  52   0.069 -10.970   4.353
  358    HB2  MET  52           2HB      MET  52   2.342 -12.188   5.560
  359    HB3  MET  52           1HB      MET  52   1.262 -11.741   6.876
  360    HG2  MET  52           2HG      MET  52   0.509 -13.887   6.259
  361    HG3  MET  52           1HG      MET  52  -0.606 -12.812   5.415
  362    HE1  MET  52           3HE      MET  52  -1.308 -13.301   3.242
  363    HE2  MET  52           1HE      MET  52  -1.210 -14.938   3.905
  364    HE3  MET  52           2HE      MET  52  -0.654 -14.613   2.266
  365    H    GLY  53           H        GLY  53  -0.907 -10.864   6.815
  366    HA2  GLY  53           2HA      GLY  53  -0.685  -9.165   8.751
  367    HA3  GLY  53           1HA      GLY  53  -0.872  -7.981   7.460
  368    H    THR  54           H        THR  54  -2.809  -8.906   5.879
  369    HA   THR  54           HA       THR  54  -5.187  -8.546   7.448
  370    HB   THR  54           HB       THR  54  -6.357  -8.774   5.279
  371    HG1  THR  54           1HG      THR  54  -5.377  -9.640   3.635
  372   HG21  THR  54          3HG2      THR  54  -5.200  -6.637   6.024
  373   HG22  THR  54          1HG2      THR  54  -5.462  -6.784   4.286
  374   HG23  THR  54          2HG2      THR  54  -3.863  -7.090   4.967
  375    H    ALA  55           H        ALA  55  -6.606 -10.031   8.185
  376    HA   ALA  55           HA       ALA  55  -5.870 -12.787   8.261
  377    HB1  ALA  55           1HB      ALA  55  -8.078 -13.087   9.375
  378    HB2  ALA  55           2HB      ALA  55  -8.451 -11.400   9.023
  379    HB3  ALA  55           3HB      ALA  55  -7.114 -11.802  10.103
  380    H    SER  56           H        SER  56  -6.497 -14.474   7.021
  381    HA   SER  56           HA       SER  56  -7.810 -13.944   4.511
  382    HB2  SER  56           2HB      SER  56  -5.960 -15.592   4.748
  383    HB3  SER  56           1HB      SER  56  -7.012 -16.595   5.741
  384    HG   SER  56           HG       SER  56  -7.097 -17.258   3.581
  385    H    GLY  57           H        GLY  57  -9.955 -13.710   4.388
  386    HA2  GLY  57           2HA      GLY  57 -12.168 -14.474   4.403
  387    HA3  GLY  57           1HA      GLY  57 -11.699 -15.754   5.517
  388    H    SER  58           H        SER  58 -11.466 -12.187   5.633
  389    HA   SER  58           HA       SER  58 -12.252 -12.160   8.417
  390    HB2  SER  58           2HB      SER  58 -10.575 -10.577   7.318
  391    HB3  SER  58           1HB      SER  58 -11.964  -9.768   6.597
  392    HG   SER  58           HG       SER  58 -11.201  -8.952   8.695
  393    H    ASN  59           H        ASN  59 -13.652 -11.115   5.319
  394    HA   ASN  59           HA       ASN  59 -16.095 -10.172   6.530
  395    HB2  ASN  59           2HB      ASN  59 -14.981  -9.408   4.307
  396    HB3  ASN  59           1HB      ASN  59 -15.783 -10.815   3.611
  397   HD21  ASN  59          1HD2      ASN  59 -16.316  -7.611   4.979
  398   HD22  ASN  59          2HD2      ASN  59 -17.978  -7.543   4.636
  399    H    SER  60           H        SER  60 -18.160 -11.104   6.347
  400    HA   SER  60           HA       SER  60 -18.307 -13.901   5.435
  401    HB2  SER  60           2HB      SER  60 -17.911 -13.654   7.990
  402    HB3  SER  60           1HB      SER  60 -19.578 -13.088   8.039
  403    HG   SER  60           HG       SER  60 -18.886 -15.523   8.131
  404    HA   PRO  61           HA       PRO  61 -21.812 -11.402   3.719
  405    HB2  PRO  61           2HB      PRO  61 -21.936 -13.735   1.876
  406    HB3  PRO  61           1HB      PRO  61 -21.894 -12.000   1.506
  407    HG2  PRO  61           2HG      PRO  61 -19.784 -13.576   1.096
  408    HG3  PRO  61           1HG      PRO  61 -19.609 -11.894   1.623
  409    HD2  PRO  61           2HD      PRO  61 -19.316 -14.410   3.223
  410    HD3  PRO  61           1HD      PRO  61 -18.411 -12.883   3.343
  411    H    THR  62           H        THR  62 -24.107 -11.825   3.635
  412    HA   THR  62           HA       THR  62 -24.954 -13.845   5.540
  413    HB   THR  62           HB       THR  62 -27.204 -12.791   5.200
  414    HG1  THR  62           1HG      THR  62 -26.997 -12.051   3.121
  415   HG21  THR  62          3HG2      THR  62 -25.411 -12.001   6.852
  416   HG22  THR  62          1HG2      THR  62 -26.669 -10.834   6.441
  417   HG23  THR  62          2HG2      THR  62 -25.074 -10.710   5.700