*HEADER   NEUROTOXIN                              09-NOV-94   1CHL    
*COMPND   CHLOROTOXIN (NMR, 7 STRUCTURES)                             
*SOURCE   SCORPION (LEIURUS QUINQUESTRIATUS) VENOM                    
*AUTHOR   G.LIPPENS,J.NAJIB,S.J.WODAK,A.TARTAR                        
*REVDAT  1   07-FEB-95 1CHL    0                                      

assign (resid   1  and name    ha   )(resid   1 and name   hb2  )  2.0 0.5 0.8  
assign (resid   1  and name    ha   )(resid   1 and name   hg2   )  4.0 2.5 1.0  
assign (resid   2  and name    ha   )(resid   2 and name   hb2   )  2.5 1.0 0.8 
assign (resid   2  and name    ha   )(resid   2 and name   hb1   )  4.0 2.5 1.0  
assign (resid   2  and name   hn   )(resid      1  and name   ha )   2.0 0.5 0.8  
assign (resid   2  and name   hn   )(resid      1  and name   hb2#)   2.0 0.5 0.8  
assign (resid   2  and name   hn   )(resid      2  and name   ha )   3.5 2.0 1.0 
assign (resid   2  and name   hn   )(resid      2  and name   hb2)   2.0 0.5 0.8  
assign (resid   2  and name   hn   )(resid      2  and name   hb2)   2.0 0.5 0.8  
assign (resid   3  and name    ha   )(resid   3 and name   hg1#   )  4.0 2.5 1.0  
assign (resid   3  and name    ha   )(resid   4 and name   hd1   )  2.0 0.5 0.8  
assign (resid   3  and name    ha   )(resid   4 and name   hd2   )  3.0 1.5 0.5  
assign (resid   3  and name    ha   )(resid   4 and name   hg1   )  3.5 2.0 1.0  
assign (resid   3  and name    hg1  )(resid   4 and name   hb2   )  4.0 2.5 1.0  
assign (resid   3  and name    hg1  )(resid   4 and name   hd1   )  4.0 2.5 1.0  
assign (resid   3  and name    hg2  )(resid   4 and name   hd1   )  4.0 2.5 1.0  
assign (resid   3  and name    hg2  )(resid   4 and name   hd1   )  4.0 2.5 1.0  
assign (resid   3  and name    cb   )(resid   33 and name   hb1   )  4.0 2.5 1.5  
assign (resid   3  and name    cb   )(resid   33 and name   hb2   )  4.0 2.5 1.5  
assign (resid   3  and name    ce   )(resid   4 and name    cd   )  4.0 2.5 1.5  
assign (resid   3  and name    ce   )(resid   15 and name   cd   )  4.0 2.5 1.5  
assign (resid   4  and name    ha   )(resid   4 and name   hb1   )  4.0 2.5 1.0  
assign (resid   4  and name    ha   )(resid   4 and name   hg1   )  3.5 2.0 1.0  
assign (resid   4  and name    hd1  )(resid   3 and name   hb2   )  3.5 2.0 1.0  
assign (resid   4  and name    hd1  )(resid   3 and name   hb1   )  3.5 2.0 1.0  
assign (resid   4  and name    hd2  )(resid   3 and name   hb2   )  4.0 2.5 1.0  
assign (resid   4  and name    hd2  )(resid   3 and name   hb1   )  3.0 1.5 0.5  
assign (resid   5  and name    ha   )(resid   5 and name   hb2   )  4.0 2.5 1.0  
assign (resid   5  and name    ha   )(resid   5 and name   hb1   )  3.0 1.5 0.5  
assign (resid   5  and name    ha   )(resid  12 and name   ce    )  4.0 2.5 1.0  
assign (resid   5  and name    hb1  )(resid  12 and name   ce    )  4.0 2.5 1.5  
assign (resid   5  and name   hn   )(resid      4  and name   ha )   2.0 0.5 0.8  
assign (resid   5  and name   hn   )(resid      5  and name   ha )   2.0 0.5 0.8  
assign (resid   5  and name   hn   )(resid      5  and name   hb2)   3.5 1.0 1.0  
assign (resid   5  and name   hn   )(resid      5  and name   hb2)   4.0 1.5 1.0  
assign (resid   6  and name    ha   )(resid   6 and name   hb1   )  2.0 0.5 0.8  
assign (resid   6  and name    ha   )(resid   6 and name   hb2   )  3.5 2.0 1.0 
assign (resid   6  and name   hn   )(resid      5  and name   ha )   2.0 0.5 0.8   
assign (resid   6  and name   hn   )(resid      6  and name   ha )   3.0 1.5 0.5  
assign (resid   6  and name   hn   )(resid      6  and name   hb2)   3.0 1.5 0.5  
assign (resid   6  and name   hn   )(resid      6  and name   hb2)   2.5 1.0 0.8 
assign (resid   6  and name   hn   )(resid      6  and name   hb2)   3.0 1.5 0.5  
assign (resid   7  and name    ha   )(resid   7 and name   cg2   )  3.0 1.5 0.5  
assign (resid   7  and name    hb   )(resid   7 and name   cg2  )  3.0 1.5 0.5  
assign (resid   7  and name    hb   )(resid   8 and name   cg2   )  3.5 2.0 1.0  
assign (resid   7  and name   hn   )(resid      6  and name   ha )   2.5 1.0 0.8 
assign (resid   7  and name   hn   )(resid      7  and name   ha )   4.0 1.5 1.0  
assign (resid   7  and name   hn   )(resid      7  and name   hb )   3.0 1.5 0.5  
assign (resid   8  and name    ha   )(resid   8 and name   cg2    )  3.0 1.5 0.8  
assign (resid   8  and name    hb   )(resid   8 and name   cg2   )  3.0 1.5 0.8  
assign (resid   9  and name    ha   )(resid   9 and name   hb2   )  3.5 2.0 1.0  
assign (resid   9  and name    ha   )(resid   9 and name   hb1   )  2.0 0.5 0.8  
assign (resid   9  and name   hn   )(resid      8  and name   ha )   4.0 1.5 1.0  
assign (resid   9  and name   hn   )(resid      9  and name   hb2)   2.5 1.0 0.8 
assign (resid   9  and name   hn   )(resid      9  and name   hb2)   3.0 1.5 0.5  
assign (resid  10  and name    ha   )(resid  10 and name   hb1   )  2.0 0.5 0.8  
assign (resid  10  and name    ha   )(resid  10 and name   hb2   )  3.5 2.0 1.0  
assign (resid  10  and name   hn   )(resid      9  and name   ha )   3.0 1.5 0.5  
assign (resid  10  and name   hn   )(resid      9  and name   hb2)   4.0 1.5 1.0  
assign (resid  10  and name   hn   )(resid      9  and name   hb2)   4.0 1.5 1.0  
assign (resid  10  and name   hn   )(resid     10  and name   ha )   4.0 1.5 1.0  
assign (resid  10  and name   hn   )(resid     10  and name   hb2)   4.0 1.5 1.0  
assign (resid  10  and name   hn   )(resid     10  and name   hb2)   3.0 1.5 0.5  
assign (resid  10 and name   hn   )(resid   11 and name   hn )   2.0 0.5 0.8  
assign (resid  11  and name   hn   )(resid     10  and name   ha )   4.0 1.5 1.0  
assign (resid  11  and name   hn   )(resid     10  and name   hb2)   4.0 1.5 1.0  
assign (resid  11  and name   hn   )(resid     10  and name   hb2)   4.0 1.5 1.0  
assign (resid  11  and name   hn   )(resid     11  and name   ha )   3.5 2.0 1.0 
assign (resid  11  and name   hn   )(resid     11  and name   hb2#)   3.0 1.5 0.5  
assign (resid  11  and name   hn   )(resid     11  and name   hg1)   4.0 1.5 1.0  
assign (resid  11  and name   hn   )(resid     11  and name   hg2)   4.0 1.5 1.0  
assign (resid  11 and name   hn   )(resid   12 and name   hn )   2.0 0.5 0.8  
assign (resid  12  and name    ha   )(resid  12 and name   hb2   )  3.0 1.5 0.5  
assign (resid  12  and name    ha   )(resid  12 and name   hb1   )  3.5 2.0 1.0  
assign (resid  12  and name    ha   )(resid  12 and name   hg2   )  3.5 2.0 1.0  
assign (resid  12  and name   hn   )(resid     12  and name   ha )   3.0 1.5 0.5  
assign (resid  12  and name   hn   )(resid     12  and name   hb2)   2.0 0.5 0.8
assign (resid  12  and name   hn   )(resid     12  and name   hb2)   2.0 0.5 0.8
assign (resid  12 and name   hn   )(resid   13 and name   hn )   2.0 0.5 0.8  
assign (resid  12  and name    ce   )(resid   15 and name   cd   )  4.0 2.5 1.5  
assign (resid  13  and name    ha   )(resid  16 and name   hb2   )  4.0 2.5 1.0  
assign (resid  13  and name    ha   )(resid  16 and name   hb1   )  3.0 1.5 0.5  
assign (resid  13  and name   hn   )(resid     12  and name   hb2)   4.0 2.5 1.0 
assign (resid  13  and name   hn   )(resid     12  and name   hb2)   2.5 1.0 0.8
assign (resid  13  and name   hn   )(resid     13  and name   ha )   2.5 1.0 0.8 
assign (resid  13 and name   hn   )(resid      14 and name   hn  )   2.0 0.5 0.8  
assign (resid  14  and name    ha   )(resid  14 and name   hd1#   )  4.0 2.5 1.0  
assign (resid  14  and name   hn   )(resid     13  and name   hg3)   3.0 1.5 0.5  
assign (resid  14  and name   hn   )(resid     14  and name   ha )   3.5 2.0 1.0 
assign (resid  14  and name   hn   )(resid     14  and name   hb2#)   2.5 1.0 0.8 
assign (resid  14  and name   hn   )(resid     14  and name   hg1#)   4.0 1.5 1.0  
assign (resid  14 and name   hn   )(resid   15 and name   hn )   2.0 0.5 0.8  
assign (resid  15  and name   hn   )(resid     12  and name   ce)    4.0 1.5 1.5  
assign (resid  15  and name   hn   )(resid     15  and name   ha )   2.5 1.0 0.8 
assign (resid  15  and name   hn   )(resid     15  and name   hb2)   3.0 1.5 0.5  
assign (resid  15  and name   hn   )(resid     15  and name   hb2)   3.0 1.5 0.5  
assign (resid  15  and name   hn   )(resid     15  and name   hd1#)   3.5 2.0 1.0 
assign (resid  15  and name   hn   )(resid     15  and name   hg1#)   3.0 1.5 0.5  
assign (resid  15 and name    hn   )(resid   16 and name   hn )  2.5 1.0 0.8 
assign (resid  16  and name    ha   )(resid  16 and name   hb2   )  2.5 1.0 0.8 
assign (resid  16  and name    ha   )(resid  16 and name   hb1   )  3.5 2.0 1.0  
assign (resid  16  and name    ha   )(resid  19 and name   hb1   )  3.0 1.5 0.5  
assign (resid  16  and name    ha   )(resid  19 and name   hb2   )  3.5 2.0 1.0  
assign (resid  16  and name   hn   )(resid     12  and name   ce)    4.0 1.5 1.5  
assign (resid  16  and name   hn   )(resid     13  and name   ha )   4.0 1.5 1.0  
assign (resid  16  and name   hn   )(resid     15  and name   ha )   4.0 1.5 1.0  
assign (resid  16  and name   hn   )(resid     15  and name   hb2#)   4.0 1.5 1.0  
assign (resid  16  and name   hn   )(resid     16  and name   ha )   3.5 2.0 1.0 
assign (resid  16  and name   hn   )(resid     16  and name   hb2)   3.0 1.5 0.5  
assign (resid  16  and name   hn   )(resid     16  and name   hb2)   3.0 1.5 0.5  
assign (resid  16 and name   hn   )(resid   17 and name   hn )  2.5 1.0 0.8 
assign (resid  17  and name    ha   )(resid  17 and name   hb2   )  2.0 0.5 0.8  
assign (resid  17  and name    ha   )(resid  17 and name   hb1   )  3.0 1.5 0.5 
assign (resid  17  and name    ha   )(resid  20 and name   hb2   )  3.5 2.0 1.0  
assign (resid  17  and name    ha   )(resid  20 and name   hb1   )  4.0 2.5 1.0  
assign (resid  17  and name    ha   )(resid  26 and name   ha1   )  3.0 1.5 1.0  
assign (resid  17  and name    ha   )(resid  26 and name   ha2   )  2.0 0.5 1.0
!assign (resid  17  and name    hb2  )(resid  23 and name   hn   )   4.0 2.5 1.0  
!assign (resid  17  and name    hb2  )(resid  24 and name   hn   )   4.0 2.5 1.0  
!assign (resid  17  and name    hb1  )(resid  23 and name   hn   )   4.0 2.5 1.0  
!assign (resid  17  and name    hb1  )(resid  24 and name   hn   )   4.0 2.5 1.0  
!assign (resid  17  and name    hb1  )(resid  26 and name   hn   )   4.0 2.5 1.5  
assign (resid  17  and name   hn   )(resid     13  and name   ha )   4.0 1.5 1.0  
assign (resid  17  and name   hn   )(resid     17  and name   ha )   3.0 1.5 0.5  
assign (resid  17  and name   hn   )(resid     17  and name   hb2)   2.0 0.5 0.8  
assign (resid  17  and name   hn   )(resid     17  and name   hb2)   2.0 0.5 0.8  
assign (resid  17 and name   hn   )(resid   18 and name   hn )  2.5 1.0 0.8 
assign (resid  18  and name   hn   )(resid     15  and name   ha )   3.0 1.5 0.5  
assign (resid  18  and name   hn   )(resid     17  and name   ha )   3.5 2.0 1.0 
assign (resid  18  and name   hn   )(resid     17  and name   hb2)   2.5 1.0 1.0
assign (resid  18  and name   hn   )(resid     18  and name   ha )   3.5 2.0 1.0 
assign (resid  18  and name   hn   )(resid     18  and name   hb2)   2.5 1.0 0.8  
assign (resid  18  and name   hn   )(resid     18  and name   hb2)   2.5 1.0 0.8 
assign (resid  18 and name   hn   )(resid   19 and name   hn )   2.0 0.5 0.8  
assign (resid  19  and name    ha   )(resid  19 and name   hb2   )  3.0 1.5 0.5  
assign (resid  19  and name    ha   )(resid  19 and name   hb1   )  3.5 2.0 1.0  
assign (resid  19  and name   hn   )(resid     15  and name   ha )   4.0 1.5 1.0  
assign (resid  19  and name   hn   )(resid     16  and name   ha )   3.5 2.0 1.0 
assign (resid  19  and name   hn   )(resid     18  and name   ha )   3.5 2.0 1.0 
assign (resid  19  and name   hn   )(resid     18  and name   hb2)   3.0 1.5 0.5  
assign (resid  19  and name   hn   )(resid     18  and name   hb2)   3.0 1.5 0.5 
assign (resid  19  and name   hn   )(resid     19  and name   ha )   3.0 1.5 0.5  
assign (resid  19  and name   hn   )(resid     19  and name   hb2)   2.5 1.0 0.8 
assign (resid  19  and name   hn   )(resid     19  and name   hb2)   2.0 0.5 0.8  
assign (resid  19 and name   hn   )(resid   20 and name   hn )   2.0 0.5 0.8  
assign (resid  20  and name    ha   )(resid  20 and name   hb2   )  3.5 2.0 1.0  
assign (resid  20  and name    ha   )(resid  20 and name   hb1   )  2.0 0.5 0.8  
assign (resid  20  and name    hb1  )(resid  25 and name   hb1   )  4.0 2.5 1.0  
assign (resid  20  and name    hb1  )(resid  25 and name   hb2   )  4.0 2.5 1.0  
assign (resid  20  and name    hb2  )(resid  25 and name   hb1   )  4.0 2.5 1.0  
assign (resid  20  and name    hb2  )(resid  25 and name   hb2   )  4.0 2.5 1.0  
assign (resid  20  and name   hn   )(resid     19  and name   ha )   4.0 2.5 1.0  
assign (resid  20  and name   hn   )(resid     19  and name   hb2)   3.0 1.5 0.5  
assign (resid  20  and name   hn   )(resid     19  and name   hb2)   4.0 1.5 1.0  
assign (resid  20  and name   hn   )(resid     20  and name   hb2)   2.0 0.5 0.8  
assign (resid  20  and name   hn   )(resid     20  and name   hb2)   3.0 1.5 0.5  
assign (resid  20 and name   hn   )(resid   21 and name   hn )   2.0 0.5 0.8  
assign (resid  21  and name   ha2   )(resid     25  and name   cd )   4.0 1.5 1.5  
assign (resid  22  and name   ha1   )(resid     25  and name   cd )   4.0 1.5 1.5  
assign (resid  21  and name   hn   )(resid     21  and name   ha1)   3.0 1.5 0.5  
assign (resid  21  and name   hn   )(resid     21  and name   ha2)   2.0 0.5 0.8  
assign (resid  21 and name   hn   )(resid   22 and name   hn )   2.0 0.5 0.8  
assign (resid  22  and name   hn   )(resid     18  and name   ha )   3.0 1.5 0.5  
assign (resid  22  and name   hn   )(resid     22  and name   ha1)   2.0 0.5 0.8  
assign (resid  22  and name   hn   )(resid     22  and name   ha2)   2.0 0.5 0.8  
assign (resid  22  and name   hn   )(resid     25  and name   hb2)   4.0 2.5 0.5
assign (resid  22  and name   hn   )(resid     25  and name   hb2)   4.0 2.5 0.5
assign (resid  22  and name   hn   )(resid     25  and name   hg1#)   4.0 2.5 0.5
!assign (resid  23  and name    ha   )(resid  17 and name   hb2   )  3.0 1.5 0.5  
assign (resid  23  and name   hn   )(resid     22  and name   ha1)   2.0 0.5 0.8  
assign (resid  23  and name   hn   )(resid     22  and name   ha2)   2.0 0.5 0.8  
assign (resid  23  and name   hn   )(resid     23  and name   ha )   2.0 0.5 0.8  
assign (resid  23 and name   hn   )(resid   24 and name   hn )  4.0 2.5 1.0  
assign (resid  24  and name   hn   )(resid     24  and name   ha1)   3.5 2.0 1.0 
assign (resid  24  and name   hn   )(resid     24  and name   ha2)   3.5 2.0 1.0 
assign (resid  24 and name   hn   )(resid   25 and name   hn )   2.0 0.5 0.8  
assign (resid  25  and name   hn   )(resid     24  and name   ha1)   3.5 2.0 1.0 
assign (resid  25  and name   hn   )(resid     24  and name   ha2)   3.5 2.0 1.0 
assign (resid  25  and name   hn   )(resid     25  and name   ha )   3.0 1.5 0.5  
assign (resid  25 and name   hn   )(resid   26 and name   hn )   2.0 0.5 0.8  
assign (resid  26  and name    hn   )(resid  20 and name   hb2   )  4.0 2.5 1.0  
assign (resid  26  and name    hn   )(resid  20 and name   hb1   )  4.0 2.5 1.0  
assign (resid  26  and name    ha1  )(resid  20 and name   hb1   )  4.0 2.5 1.0  
!assign (resid  26  and name    ha2  )(resid  20 and name   hb1   )  4.0 2.5 1.5  
assign (resid  26  and name    ha1  )(resid  20 and name   hb2   )  4.0 2.5 1.0  
assign (resid  26  and name    ha2  )(resid  25 and name   ha    )  3.5 2.0 1.0 
assign (resid  26  and name   hn   )(resid     25  and name   ha )   2.0 0.5 0.8  
assign (resid  26  and name   hn   )(resid     26  and name   ha1 )   2.0 0.5 0.8  
assign (resid  26  and name   hn   )(resid     26  and name   ha2 )   2.0 0.5 0.8  
assign (resid  27  and name    ha   )(resid  27 and name   hb2#  )  2.0 0.5 0.8  
assign (resid  27  and name    hd1#  )(resid  27 and name   he1#  )  4.0 2.5 1.0  
assign (resid  27  and name   hn   )(resid     27  and name   ha )   4.0 1.5 1.0  
assign (resid  27  and name   hn   )(resid     27  and name   hb2#)   3.0 1.5 0.5  
assign (resid  27  and name   hn   )(resid     35  and name   ha )   4.0 1.5 1.0  
assign (resid  28  and name    ha   )(resid  28 and name   hb1  )  2.0 0.5 0.8  
assign (resid  28  and name    ha   )(resid  28 and name   hb2   )  3.0 1.5 0.5  
assign (resid  28  and name   hn   )(resid     27  and name   hb2#)   4.0 1.5 1.0  
assign (resid  28  and name   hn   )(resid     27  and name   hg1)   3.0 1.5 0.5  
assign (resid  28  and name   hn   )(resid     27  and name   hg2)   3.0 1.5 0.5  
assign (resid  28  and name   hn   )(resid     28  and name   ha )   4.0 1.5 1.0 
assign (resid  28  and name   hn   )(resid     28  and name   hb2)   2.0 0.5 0.8  
assign (resid  28  and name   hn   )(resid     28  and name   hb2)   2.5 1.0 0.8  
assign (resid  29  and name    ha   )(resid  29 and name   hb1   )  2.0 0.5 0.8  
assign (resid  29  and name    ha   )(resid  29 and name   hb2   )  3.5 2.0 1.0  
assign (resid  29  and name   hn   )(resid     28  and name   ha )   4.0 1.5 1.0  
assign (resid  29  and name   hn   )(resid     29  and name   ha )   3.5 2.0 1.0 
assign (resid  29  and name   hn   )(resid     29  and name   hb2)   3.0 1.5 0.5  
assign (resid  29  and name   hn   )(resid     29  and name   hb2)   2.0 0.5 0.8  
assign (resid  29  and name   hn   )(resid     33  and name   ha )   4.0 2.5 1.0  
assign (resid  29 and name   hn   )(resid   29 and name   hd1#)  3.5 2.0 1.0 
assign (resid  29 and name   hn   )(resid   30 and name   hn )  4.0 2.5 1.0  
assign (resid  29 and name   hn   )(resid   32 and name   hn )  4.0 2.5 1.0  
assign (resid  30  and name    ha2  )(resid  31 and name   hd1   )  3.0 1.5 0.5  
assign (resid  30  and name    ha2  )(resid  31 and name   hd2   )  3.0 1.5 0.5  
assign (resid  30  and name    ha1  )(resid  31 and name   hd1   )  3.5 2.0 0.8 
assign (resid  30  and name    ha1  )(resid  31 and name   hd2   )  3.5 2.0 0.8 
assign (resid  30  and name   hn   )(resid     29  and name   ha )   2.0 0.5 0.8  
assign (resid  30  and name   hn   )(resid     30  and name   ha1 )   2.0 0.5 0.8  
assign (resid  30  and name   hn   )(resid     30  and name   ha2)   2.0 0.5 0.8  
assign (resid  31  and name    ha   )(resid  31 and name   hd2   )  4.0 2.5 1.0  
assign (resid  31  and name    ha   )(resid  31 and name   hg1   )  4.0 2.5 1.0  
assign (resid  32  and name    ha   )(resid  32 and name   hb2   )  3.0 1.5 0.5  
assign (resid  32  and name    ha   )(resid  32 and name   hb1   )  3.0 1.5 0.5  
assign (resid  32  and name    ha   )(resid  32 and name   hg1#  )  3.0 1.5 0.5  
assign (resid  32  and name   hn   )(resid     31  and name   hd1)   3.5 2.0 1.0 
assign (resid  32  and name   hn   )(resid     31  and name   hd2)   4.0 1.5 1.0  
assign (resid  32  and name   hn   )(resid     32  and name   ha )   3.0 1.5 0.5  
assign (resid  32  and name   hn   )(resid     32  and name   hb2)   3.0 1.5 0.5  
assign (resid  32  and name   hn   )(resid     32  and name   hb2)   3.0 1.5 0.5  
assign (resid  32  and name   hn   )(resid     32  and name   hg1#)   4.0 1.5 1.0  
assign (resid  33  and name    ha   )(resid  28 and name   ha    )  2.0 0.5 0.8  
assign (resid  33  and name    ha   )(resid  33 and name   hb1   )  4.0 2.5 1.0  
assign (resid  33  and name    ha   )(resid  33 and name   hb2   )  2.0 0.5 0.8  
assign (resid  33  and name   hn   )(resid     32  and name   ha )   2.5 1.0 0.8 
assign (resid  33  and name   hn   )(resid     33  and name   ha )   3.5 2.0 1.0 
assign (resid  33  and name   hn   )(resid     33  and name   hb2)   2.0 0.5 0.8  
assign (resid  33  and name   hn   )(resid     33  and name   hb2)   2.5 1.0 0.8 
assign (resid  35  and name    ha   )(resid  26 and name   ha1   )  2.0 0.5 0.8  
assign (resid  35  and name    ha   )(resid  26 and name   ha2   )  3.5 2.0 1.0 
assign (resid  35  and name    ha   )(resid  35 and name   hb1   )  3.0 1.5 0.5  
assign (resid  35  and name    ha   )(resid  35 and name   hb2   )  3.5 2.0 1.0 
assign (resid  35  and name   hn   )(resid     35  and name   ha )   3.5 2.0 0.5  
assign (resid  35  and name   hn   )(resid     35  and name   hb2)   3.5 2.0 1.0 
assign (resid  35  and name   hn   )(resid     35  and name   hb2)   2.0 0.5 0.8  
assign (resid  36  and name    ha   )(resid  36 and name   hb2   )  3.5 2.0 1.0  
assign (resid  36  and name    ha   )(resid  36 and name   hb1   )  4.0 2.5 1.0  
assign (resid  36  and name   hn   )(resid     35  and name   ha )   2.0 0.5 0.8  
assign (resid  36  and name   hn   )(resid     35  and name   hb2)   3.0 1.5 0.5  
assign (resid  36  and name   hn   )(resid     35  and name   hb2)   4.0 1.5 1.0  
assign (resid  36  and name   hn   )(resid     36  and name   ha )   2.0 0.5 0.8  
assign (resid  36  and name   hn   )(resid     36  and name   hb2)   3.0 1.5 0.5  
assign (resid  36  and name   hn   )(resid     36  and name   hb2)   2.5 1.0 0.8 
assign (resid   1 and name   ha    )(resid  34  and name    ha   )  3.5 2.0 1.0
assign (resid   2  and name   hn   )(resid     34  and name   ha )   3.5 2.0 1.0 
assign (resid   2  and name   hn   )(resid     34  and name   cd2)   4.0 2.5 2.0
assign (resid  29  and name    hn  )(resid  34 and name   cd1  )  4.0 2.5 1.5
assign (resid  29  and name    hb2 )(resid  34 and name   cd1  )  4.0 2.5 1.5
assign (resid  29  and name    hb1 )(resid  34 and name   cd1  )  4.0 2.5 1.5
assign (resid  34  and name    ha   )(resid  34 and name   hb2   )  3.5 2.0 1.0  
assign (resid  34  and name    ha   )(resid  34 and name   hb1   )  3.0 1.5 0.5  
assign (resid  34  and name    ha   )(resid  34 and name   cd1  )  4.0 2.5 1.5 
assign (resid  34  and name    ha   )(resid  34 and name   cd2  )  4.0 2.5 1.5  
assign (resid  34  and name    ha   )(resid  34 and name   hg    )  4.0 2.5 1.0  
assign (resid  34  and name   hn   )(resid     28  and name   ha )   3.5 2.0 1.0
assign (resid  34  and name   hn   )(resid     33  and name   ha )   2.0 0.5 0.8  
assign (resid  34  and name   hn   )(resid     33  and name   hb2)   4.0 1.5 1.0  
assign (resid  34  and name   hn   )(resid     33  and name   hb2)   4.0 1.5 1.0  
assign (resid  34  and name   hn   )(resid     34  and name   ha )   4.0 1.5 1.0  
assign (resid  34  and name   hn   )(resid     34  and name   hb2)   2.0 0.5 0.8  
assign (resid  34  and name   hn   )(resid     34  and name   hb2)   3.0 1.5 0.5  
assign (resid  34  and name   hn   )(resid     34  and name   cd1)   4.0 1.5 1.5  
assign (resid  34  and name   hn   )(resid     34  and name   cd2)   4.0 1.5 1.5  
assign (resid  34  and name   hn   )(resid     34  and name   hg )   3.0 1.5 0.5  
assign (resid  34 and name   hn   )(resid   27 and name   hn )  3.5 2.0 1.0
assign (resid  34 and name   hn   )(resid   29 and name   hd1#)  3.5 2.0 1.0 !#
assign (resid  35  and name   hn   )(resid     34  and name   ha )   2.0 0.5 0.8  
assign (resid  35  and name   hn   )(resid     34  and name   hb2)   4.0 1.5 1.0  
assign (resid  35  and name   hn   )(resid     34  and name   hb2)   2.5 1.0 0.8 
assign (resid  35  and name   hn   )(resid     34  and name   cd2)   4.0 2.5 1.5
set message=on echo=on end








restraints dihedral reset
!!chi
  !!2
assign (resid 2 and name n)    (resid 2 and name ca)
       (resid 2 and name cb)   (resid 2 and name sg) 1.0 -180.0 30.0 2
  !!5
assign (resid 5 and name n)    (resid 5 and name ca)
       (resid 5 and name cb)   (resid 5 and name sg) 1.0 -60.0 60.0 2
  !!6
assign (resid 6 and name n)    (resid 6 and name ca)
       (resid 6 and name cb)   (resid 6 and name cg) 1.0 -60.0 30.0 2
  !!10
assign (resid 10 and name n)    (resid 10 and name ca)
       (resid 10 and name cb)   (resid 10 and name cg) 1.0 -60.0 30.0 2 
  !!12
assign (resid 12 and name n)    (resid 12 and name ca)
       (resid 12 and name cb)   (resid 12 and name cg) 1.0 180.0 30.0 2
  !!17
assign (resid 17 and name n)    (resid 17 and name ca)
       (resid 17 and name cb)   (resid 17 and name cg) 1.0 180.0 20.0 2
  !!19
assign (resid 19 and name n)    (resid 19 and name ca)
       (resid 19 and name cb)   (resid 19 and name sg) 1.0 180.0 30.0 2

  !!20
assign (resid 20 and name n)    (resid 20 and name ca)
       (resid 20 and name cb)   (resid 20 and name sg) 1.0 -60.0 30.0 2
  !!29
assign (resid 29 and name n)    (resid 29 and name ca)
       (resid 29 and name cb)   (resid 29 and name cg) 1.0 -60.0 30.0 2
  !!28
assign (resid 28 and name n)    (resid 28 and name ca)
       (resid 28 and name cb)   (resid 28 and name sg) 1.0 -60.0 30.0 2
  !!33
assign (resid 33 and name n)    (resid 33 and name ca)
       (resid 33 and name cb)   (resid 33 and name sg) 1.0 180.0 30.0 2
  !!34
assign (resid 34 and name n)    (resid 34 and name ca)
       (resid 34 and name cb)   (resid 34 and name cg) 1.0 -60.0 30.0 2
  !!35
assign (resid 35 and name n)    (resid 35 and name ca)
       (resid 35 and name cb)   (resid 35 and name sg) 1.0 -60.0 30.0 2

end



  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  258 H/Q atoms
  Start of MODEL    1
    1   1H    MET   1           H3       MET   1  -4.995  -0.555   9.408
    2   2H    MET   1           H2       MET   1  -6.062   0.719   9.056
    3   3H    MET   1           H1       MET   1  -6.111  -0.711   8.140
    4    HA   MET   1           HA       MET   1  -4.872   0.447   6.691
    5   1HB   MET   1           HB2      MET   1  -3.520   2.408   7.359
    6   2HB   MET   1           HB1      MET   1  -5.176   2.545   7.948
    7   1HG   MET   1           HG2      MET   1  -4.559   2.012  10.164
    8   2HG   MET   1           HG1      MET   1  -3.010   1.334   9.662
    9   1HE   MET   1           HE1      MET   1  -5.170   3.954  10.584
   10   2HE   MET   1           HE3      MET   1  -3.942   4.308  11.807
   11   3HE   MET   1           HE2      MET   1  -4.321   5.498  10.565
   12    H    CYS   2           H        CYS   2  -2.612   0.302   5.990
   13    HA   CYS   2           HA       CYS   2  -1.058  -1.590   7.706
   14   1HB   CYS   2           HB2      CYS   2  -1.901  -2.109   5.230
   15   2HB   CYS   2           HB1      CYS   2  -0.442  -1.217   4.802
   16    H    MET   3           H        MET   3   1.441  -1.396   6.900
   17    HA   MET   3           HA       MET   3   2.536   0.886   8.021
   18   1HB   MET   3           HB2      MET   3   4.592   0.231   7.110
   19   2HB   MET   3           HB1      MET   3   3.680  -1.273   7.056
   20   1HG   MET   3           HG2      MET   3   3.068  -0.802   4.699
   21   2HG   MET   3           HG1      MET   3   4.029   0.675   4.757
   22   1HE   MET   3           HE3      MET   3   5.378   0.585   3.248
   23   2HE   MET   3           HE2      MET   3   6.905   0.490   4.123
   24   3HE   MET   3           HE1      MET   3   6.597  -0.608   2.779
   25    HA   PRO   4           HA       PRO   4   1.734   4.304   5.472
   26   1HB   PRO   4           HB2      PRO   4   4.181   5.534   5.274
   27   2HB   PRO   4           HB1      PRO   4   3.145   5.644   6.709
   28   1HG   PRO   4           HG2      PRO   4   5.651   4.092   6.322
   29   2HG   PRO   4           HG1      PRO   4   4.921   4.691   7.820
   30   1HD   PRO   4           HD2      PRO   4   4.810   2.031   6.839
   31   2HD   PRO   4           HD1      PRO   4   3.883   2.694   8.198
   32    H    CYS   5           H        CYS   5   3.368   5.489   3.532
   33    HA   CYS   5           HA       CYS   5   4.137   3.262   1.742
   34   1HB   CYS   5           HB2      CYS   5   2.007   5.263   1.353
   35   2HB   CYS   5           HB1      CYS   5   3.094   5.070  -0.022
   36    H    PHE   6           H        PHE   6   6.265   4.128   2.662
   37    HA   PHE   6           HA       PHE   6   7.357   6.067   0.723
   38   1HB   PHE   6           HB2      PHE   6   7.166   6.549   3.686
   39   2HB   PHE   6           HB1      PHE   6   8.532   7.200   2.780
   40    HD1  PHE   6           HD1      PHE   6   4.827   7.189   3.049
   41    HD2  PHE   6           HD2      PHE   6   8.273   9.049   1.277
   42    HE1  PHE   6           HE1      PHE   6   3.404   9.049   2.234
   43    HE2  PHE   6           HE2      PHE   6   6.847  10.908   0.461
   44    HZ   PHE   6           HZ       PHE   6   4.414  10.907   0.940
   45    H    THR   7           H        THR   7   7.764   3.271   1.008
   46    HA   THR   7           HA       THR   7  10.621   3.247   1.887
   47    HB   THR   7           HB       THR   7   9.244   0.655   1.996
   48    HG1  THR   7           HG1      THR   7   8.562   2.665   3.871
   49   1HG2  THR   7          2HG2      THR   7  11.543   1.720   2.982
   50   2HG2  THR   7          1HG2      THR   7  10.488   1.878   4.386
   51   3HG2  THR   7          3HG2      THR   7  10.760   0.294   3.661
   52    H    THR   8           H        THR   8  12.022   1.992   0.571
   53    HA   THR   8           HA       THR   8  12.772   1.221  -1.520
   54    HB   THR   8           HB       THR   8  11.695  -0.749  -2.277
   55    HG1  THR   8           HG1      THR   8   9.660  -0.208  -2.687
   56   1HG2  THR   8          2HG2      THR   8  12.507  -0.825   0.099
   57   2HG2  THR   8          1HG2      THR   8  10.857  -0.487   0.622
   58   3HG2  THR   8          3HG2      THR   8  11.219  -1.979  -0.246
   59    H    ASP   9           H        ASP   9  11.287   0.536  -3.827
   60    HA   ASP   9           HA       ASP   9   9.548   2.797  -4.505
   61   1HB   ASP   9           HB2      ASP   9  12.409   2.724  -5.227
   62   2HB   ASP   9           HB1      ASP   9  11.321   3.029  -6.581
   63    H    HIS  10           H        HIS  10  11.490   0.088  -5.731
   64    HA   HIS  10           HA       HIS  10   9.540  -0.385  -7.897
   65   1HB   HIS  10           HB2      HIS  10  11.905  -2.124  -7.168
   66   2HB   HIS  10           HB1      HIS  10  11.092  -1.993  -8.728
   67    HD1  HIS  10           HD1      HIS  10  14.137  -1.436  -8.498
   68    HD2  HIS  10           HD2      HIS  10  11.207   1.520  -8.271
   69    HE1  HIS  10           HE1      HIS  10  15.269   0.744  -9.114
   70    H    GLN  11           H        GLN  11   9.509  -1.013  -4.695
   71    HA   GLN  11           HA       GLN  11   7.660  -3.271  -5.050
   72   1HB   GLN  11           HB2      GLN  11  10.269  -3.523  -3.538
   73   2HB   GLN  11           HB1      GLN  11   8.898  -4.593  -3.245
   74   1HG   GLN  11           HG2      GLN  11   8.917  -4.947  -5.826
   75   2HG   GLN  11           HG1      GLN  11  10.557  -4.301  -5.742
   76   1HE2  GLN  11          2HE2      GLN  11  11.108  -7.884  -5.305
   77   2HE2  GLN  11          1HE2      GLN  11  10.803  -6.766  -6.545
   78    H    MET  12           H        MET  12   6.764  -0.918  -4.282
   79    HA   MET  12           HA       MET  12   6.699  -0.945  -1.290
   80   1HB   MET  12           HB2      MET  12   7.376   1.156  -2.809
   81   2HB   MET  12           HB1      MET  12   5.627   1.363  -2.851
   82   1HG   MET  12           HG2      MET  12   6.941   0.827  -0.214
   83   2HG   MET  12           HG1      MET  12   7.052   2.448  -0.901
   84   1HE   MET  12           HE3      MET  12   5.699   0.308   1.221
   85   2HE   MET  12           HE2      MET  12   4.179   0.989   1.795
   86   3HE   MET  12           HE1      MET  12   4.163  -0.255   0.548
   87    H    ALA  13           H        ALA  13   4.619  -0.235  -4.109
   88    HA   ALA  13           HA       ALA  13   2.192  -0.673  -2.535
   89   1HB   ALA  13           HB3      ALA  13   2.442   0.931  -4.522
   90   2HB   ALA  13           HB2      ALA  13   2.374  -0.501  -5.549
   91   3HB   ALA  13           HB1      ALA  13   1.004  -0.090  -4.516
   92    NH1  ARG  14           NH1      ARG  14   6.415  -3.636  -9.287
   93    NH2  ARG  14           NH2      ARG  14   6.908  -1.921  -7.901
   94    H    ARG  14           H        ARG  14   4.399  -2.818  -3.518
   95    HA   ARG  14           HA       ARG  14   2.678  -4.781  -4.832
   96   1HB   ARG  14           HB2      ARG  14   5.512  -4.515  -4.158
   97   2HB   ARG  14           HB1      ARG  14   4.902  -6.144  -3.865
   98   1HG   ARG  14           HG2      ARG  14   5.622  -6.115  -6.146
   99   2HG   ARG  14           HG1      ARG  14   3.861  -6.032  -6.193
  100   1HD   ARG  14           HD2      ARG  14   4.242  -4.256  -7.575
  101   2HD   ARG  14           HD1      ARG  14   4.467  -3.386  -6.058
  102    HE   ARG  14           HE       ARG  14   6.985  -4.297  -6.518
  103   1HH1  ARG  14          1HH1      ARG  14   6.122  -4.582  -9.425
  104   2HH1  ARG  14          2HH1      ARG  14   6.625  -3.059 -10.076
  105   1HH2  ARG  14          1HH2      ARG  14   6.993  -1.552  -6.976
  106   2HH2  ARG  14          2HH2      ARG  14   7.116  -1.344  -8.691
  107    H    LYS  15           H        LYS  15   3.186  -3.782  -1.612
  108    HA   LYS  15           HA       LYS  15   1.878  -6.293  -0.661
  109   1HB   LYS  15           HB2      LYS  15   3.241  -5.310   1.555
  110   2HB   LYS  15           HB1      LYS  15   3.722  -6.696   0.580
  111   1HG   LYS  15           HG2      LYS  15   5.314  -5.479  -0.606
  112   2HG   LYS  15           HG1      LYS  15   4.494  -3.942  -0.327
  113   1HD   LYS  15           HD2      LYS  15   6.571  -4.123   1.013
  114   2HD   LYS  15           HD1      LYS  15   5.140  -3.995   2.036
  115   1HE   LYS  15           HE2      LYS  15   5.657  -6.768   1.403
  116   2HE   LYS  15           HE1      LYS  15   7.098  -6.027   2.099
  117   1HZ   LYS  15           HZ2      LYS  15   4.596  -5.347   3.395
  118   2HZ   LYS  15           HZ1      LYS  15   5.068  -6.972   3.546
  119   3HZ   LYS  15           HZ3      LYS  15   6.104  -5.737   4.074
  120    H    CYS  16           H        CYS  16   1.795  -2.885  -0.816
  121    HA   CYS  16           HA       CYS  16   0.349  -2.369   1.631
  122   1HB   CYS  16           HB2      CYS  16   1.319  -0.849  -0.575
  123   2HB   CYS  16           HB1      CYS  16  -0.410  -0.526  -0.439
  124    H    ASP  17           H        ASP  17  -0.851  -2.378  -1.745
  125    HA   ASP  17           HA       ASP  17  -3.595  -2.398  -1.201
  126   1HB   ASP  17           HB2      ASP  17  -2.312  -2.409  -3.475
  127   2HB   ASP  17           HB1      ASP  17  -2.443  -4.161  -3.359
  128    H    ASP  18           H        ASP  18  -1.399  -5.206  -1.462
  129    HA   ASP  18           HA       ASP  18  -3.365  -7.211  -0.984
  130   1HB   ASP  18           HB2      ASP  18  -0.383  -7.110  -0.517
  131   2HB   ASP  18           HB1      ASP  18  -1.334  -8.545  -0.130
  132    H    CYS  19           H        CYS  19  -1.427  -5.274   1.276
  133    HA   CYS  19           HA       CYS  19  -1.943  -6.639   3.671
  134   1HB   CYS  19           HB2      CYS  19  -0.672  -4.357   3.151
  135   2HB   CYS  19           HB1      CYS  19  -2.203  -3.657   3.668
  136    H    CYS  20           H        CYS  20  -4.003  -4.325   1.946
  137    HA   CYS  20           HA       CYS  20  -6.129  -4.529   3.945
  138   1HB   CYS  20           HB2      CYS  20  -5.711  -3.077   1.374
  139   2HB   CYS  20           HB1      CYS  20  -7.375  -3.350   1.892
  140    H    GLY  21           H        GLY  21  -5.431  -5.958   0.783
  141   1HA   GLY  21           HA2      GLY  21  -6.923  -8.296   1.196
  142   2HA   GLY  21           HA1      GLY  21  -8.029  -7.156   0.429
  143    H    GLY  22           H        GLY  22  -6.531  -5.861  -1.404
  144   1HA   GLY  22           HA2      GLY  22  -4.813  -6.339  -3.138
  145   2HA   GLY  22           HA1      GLY  22  -5.328  -8.019  -3.048
  146    H    LYS  23           H        LYS  23  -5.354  -6.870  -5.517
  147    HA   LYS  23           HA       LYS  23  -6.807  -6.697  -7.359
  148   1HB   LYS  23           HB2      LYS  23  -8.179  -8.324  -5.786
  149   2HB   LYS  23           HB1      LYS  23  -9.204  -6.905  -5.571
  150   1HG   LYS  23           HG2      LYS  23 -10.071  -7.095  -7.648
  151   2HG   LYS  23           HG1      LYS  23  -8.479  -7.336  -8.370
  152   1HD   LYS  23           HD2      LYS  23  -8.512  -9.699  -7.648
  153   2HD   LYS  23           HD1      LYS  23 -10.113  -9.458  -6.946
  154   1HE   LYS  23           HE2      LYS  23 -11.078  -9.002  -9.103
  155   2HE   LYS  23           HE1      LYS  23  -9.487  -8.944  -9.864
  156   1HZ   LYS  23           HZ3      LYS  23  -9.985 -11.385  -8.434
  157   2HZ   LYS  23           HZ2      LYS  23 -11.072 -11.130  -9.714
  158   3HZ   LYS  23           HZ1      LYS  23  -9.399 -11.151 -10.008
  159    H    GLY  24           H        GLY  24  -6.002  -4.423  -5.593
  160   1HA   GLY  24           HA2      GLY  24  -6.373  -2.088  -5.954
  161   2HA   GLY  24           HA1      GLY  24  -7.931  -2.475  -6.685
  162    NH1  ARG  25           NH2      ARG  25 -11.869  -7.870  -0.140
  163    NH2  ARG  25           NH1      ARG  25 -10.799  -8.926  -1.828
  164    H    ARG  25           H        ARG  25  -7.179  -3.991  -3.662
  165    HA   ARG  25           HA       ARG  25  -9.221  -2.253  -2.368
  166   1HB   ARG  25           HB2      ARG  25  -8.238  -5.046  -1.743
  167   2HB   ARG  25           HB1      ARG  25  -9.285  -4.135  -0.655
  168   1HG   ARG  25           HG2      ARG  25 -11.112  -4.379  -1.994
  169   2HG   ARG  25           HG1      ARG  25 -10.171  -4.209  -3.476
  170   1HD   ARG  25           HD2      ARG  25 -10.205  -6.442  -3.744
  171   2HD   ARG  25           HD1      ARG  25  -9.348  -6.629  -2.214
  172    HE   ARG  25           HE       ARG  25 -12.315  -6.336  -2.208
  173   1HH1  ARG  25          1HH2      ARG  25 -12.310  -7.052   0.229
  174   2HH1  ARG  25          2HH2      ARG  25 -11.808  -8.698   0.417
  175   1HH2  ARG  25          1HH1      ARG  25 -10.418  -8.915  -2.753
  176   2HH2  ARG  25          2HH1      ARG  25 -10.743  -9.757  -1.274
  177    H    GLY  26           H        GLY  26  -6.465  -1.439  -2.701
  178   1HA   GLY  26           HA2      GLY  26  -5.904  -0.337  -0.180
  179   2HA   GLY  26           HA1      GLY  26  -4.959  -1.799  -0.297
  180    H    LYS  27           H        LYS  27  -4.620   1.389  -0.638
  181    HA   LYS  27           HA       LYS  27  -2.453   1.060  -2.633
  182   1HB   LYS  27           HB2      LYS  27  -4.841   2.049  -3.487
  183   2HB   LYS  27           HB1      LYS  27  -4.041   3.535  -2.971
  184   1HG   LYS  27           HG2      LYS  27  -1.990   2.466  -4.296
  185   2HG   LYS  27           HG1      LYS  27  -3.288   1.635  -5.154
  186   1HD   LYS  27           HD2      LYS  27  -4.307   4.132  -5.146
  187   2HD   LYS  27           HD1      LYS  27  -2.588   4.525  -5.123
  188   1HE   LYS  27           HE2      LYS  27  -2.199   3.580  -7.198
  189   2HE   LYS  27           HE1      LYS  27  -3.525   2.429  -7.039
  190   1HZ   LYS  27           HZ3      LYS  27  -5.083   4.280  -7.285
  191   2HZ   LYS  27           HZ2      LYS  27  -3.783   5.350  -7.506
  192   3HZ   LYS  27           HZ1      LYS  27  -4.078   4.122  -8.642
  193    H    CYS  28           H        CYS  28  -1.442   3.494  -2.825
  194    HA   CYS  28           HA       CYS  28  -0.654   4.137  -0.049
  195   1HB   CYS  28           HB2      CYS  28   0.428   4.981  -2.749
  196   2HB   CYS  28           HB1      CYS  28   1.077   5.553  -1.211
  197    OH   TYR  29           OH       TYR  29  -7.952   4.561  -2.682
  198    H    TYR  29           H        TYR  29  -2.351   5.494   0.794
  199    HA   TYR  29           HA       TYR  29  -3.209   7.784  -0.878
  200   1HB   TYR  29           HB2      TYR  29  -4.200   6.601   1.719
  201   2HB   TYR  29           HB1      TYR  29  -4.771   8.162   1.127
  202    HD1  TYR  29           HD2      TYR  29  -4.984   7.881  -1.717
  203    HD2  TYR  29           HD1      TYR  29  -5.842   4.986   1.334
  204    HE1  TYR  29           HE2      TYR  29  -6.550   6.727  -3.253
  205    HE2  TYR  29           HE1      TYR  29  -7.410   3.829  -0.201
  206    HH   TYR  29           HH       TYR  29  -8.032   5.093  -3.477
  207    H    GLY  30           H        GLY  30  -1.552   9.302  -0.785
  208   1HA   GLY  30           HA2      GLY  30  -0.150  10.931   0.164
  209   2HA   GLY  30           HA1      GLY  30  -1.332  10.988   1.466
  210    HA   PRO  31           HA       PRO  31   2.060   9.053   3.569
  211   1HB   PRO  31           HB2      PRO  31   1.686  10.343   5.967
  212   2HB   PRO  31           HB1      PRO  31   2.570  11.048   4.603
  213   1HG   PRO  31           HG2      PRO  31  -0.183  11.664   5.579
  214   2HG   PRO  31           HG1      PRO  31   0.975  12.715   4.745
  215   1HD   PRO  31           HD2      PRO  31  -1.233  11.471   3.534
  216   2HD   PRO  31           HD1      PRO  31   0.162  12.151   2.679
  217    H    GLN  32           H        GLN  32  -0.498   7.731   3.277
  218    HA   GLN  32           HA       GLN  32  -0.458   6.127   5.721
  219   1HB   GLN  32           HB2      GLN  32  -2.002   8.139   6.176
  220   2HB   GLN  32           HB1      GLN  32  -3.094   7.413   4.996
  221   1HG   GLN  32           HG2      GLN  32  -3.436   5.488   6.314
  222   2HG   GLN  32           HG1      GLN  32  -1.994   5.790   7.285
  223   1HE2  GLN  32          2HE2      GLN  32  -5.199   8.272   8.022
  224   2HE2  GLN  32          1HE2      GLN  32  -4.846   7.840   6.419
  225    H    CYS  33           H        CYS  33  -0.695   4.066   5.027
  226    HA   CYS  33           HA       CYS  33  -1.810   3.553   2.345
  227   1HB   CYS  33           HB2      CYS  33   0.283   2.417   3.308
  228   2HB   CYS  33           HB1      CYS  33  -0.819   1.496   4.330
  229    H    LEU  34           H        LEU  34  -3.946   3.034   2.076
  230    HA   LEU  34           HA       LEU  34  -5.347   1.722   4.368
  231   1HB   LEU  34           HB2      LEU  34  -6.559   3.903   2.652
  232   2HB   LEU  34           HB1      LEU  34  -7.277   3.147   4.073
  233    HG   LEU  34           HG       LEU  34  -4.599   4.329   4.501
  234   1HD1  LEU  34          3HD1      LEU  34  -6.443   5.843   3.036
  235   2HD1  LEU  34          2HD1      LEU  34  -6.630   6.401   4.698
  236   3HD1  LEU  34          1HD1      LEU  34  -5.049   6.462   3.921
  237   1HD2  LEU  34          1HD2      LEU  34  -6.021   3.341   6.289
  238   2HD2  LEU  34          3HD2      LEU  34  -5.667   5.043   6.588
  239   3HD2  LEU  34          2HD2      LEU  34  -7.246   4.567   5.963
  240    H    CYS  35           H        CYS  35  -7.706   1.106   3.436
  241    HA   CYS  35           HA       CYS  35  -7.149  -0.660   1.135
  242   1HB   CYS  35           HB2      CYS  35  -9.780  -0.441   2.597
  243   2HB   CYS  35           HB1      CYS  35  -9.091  -1.842   1.774
  244    NH1  ARG  36           NH2      ARG  36 -15.558  -1.063  -3.007
  245    NH2  ARG  36           NH1      ARG  36 -16.034   1.067  -3.597
  246    H    ARG  36           H        ARG  36  -9.186  -0.846  -0.428
  247    HA   ARG  36           HA       ARG  36  -9.347   1.543  -1.933
  248   1HB   ARG  36           HB2      ARG  36  -9.896  -0.621  -2.917
  249   2HB   ARG  36           HB1      ARG  36 -11.282  -0.790  -1.840
  250   1HG   ARG  36           HG2      ARG  36 -11.112   1.671  -3.527
  251   2HG   ARG  36           HG1      ARG  36 -11.565   0.159  -4.314
  252   1HD   ARG  36           HD2      ARG  36 -13.032   0.266  -1.896
  253   2HD   ARG  36           HD1      ARG  36 -13.171   1.863  -2.632
  254    HE   ARG  36           HE       ARG  36 -13.628   0.062  -4.719
  255   1HH1  ARG  36          1HH2      ARG  36 -14.899  -1.808  -2.912
  256   2HH1  ARG  36          2HH2      ARG  36 -16.513  -1.204  -2.747
  257   1HH2  ARG  36          1HH1      ARG  36 -15.739   1.953  -3.953
  258   2HH2  ARG  36          2HH1      ARG  36 -16.990   0.925  -3.338
   
  Start of MODEL           2
 Raw file had  258 H/Q atoms
  Start of MODEL    2
    1   1H    MET   1           H1       MET   1  -5.528  -0.248   7.703
    2   2H    MET   1           H3       MET   1  -6.035   1.198   6.976
    3   3H    MET   1           H2       MET   1  -5.919  -0.222   6.050
    4    HA   MET   1           HA       MET   1  -3.979   0.767   5.433
    5   1HB   MET   1           HB2      MET   1  -2.624   2.116   7.072
    6   2HB   MET   1           HB1      MET   1  -4.232   2.775   6.763
    7   1HG   MET   1           HG2      MET   1  -4.633   2.690   8.978
    8   2HG   MET   1           HG1      MET   1  -4.541   0.932   8.882
    9   1HE   MET   1           HE1      MET   1  -3.833   3.689  10.450
   10   2HE   MET   1           HE3      MET   1  -3.227   2.689  11.777
   11   3HE   MET   1           HE2      MET   1  -2.161   3.845  10.985
   12    H    CYS   2           H        CYS   2  -1.848  -0.127   5.543
   13    HA   CYS   2           HA       CYS   2  -1.539  -2.267   7.613
   14   1HB   CYS   2           HB2      CYS   2  -1.948  -2.924   5.126
   15   2HB   CYS   2           HB1      CYS   2  -0.277  -2.415   4.884
   16    H    MET   3           H        MET   3   0.031   0.268   5.739
   17    HA   MET   3           HA       MET   3   2.006   0.753   7.748
   18   1HB   MET   3           HB2      MET   3   3.923  -0.321   6.963
   19   2HB   MET   3           HB1      MET   3   2.692  -1.527   6.617
   20   1HG   MET   3           HG2      MET   3   2.561  -0.082   4.332
   21   2HG   MET   3           HG1      MET   3   4.260   0.158   4.743
   22   1HE   MET   3           HE1      MET   3   5.567  -1.865   5.859
   23   2HE   MET   3           HE3      MET   3   4.230  -2.792   6.553
   24   3HE   MET   3           HE2      MET   3   5.346  -3.559   5.426
   25    HA   PRO   4           HA       PRO   4   2.659   4.161   5.117
   26   1HB   PRO   4           HB2      PRO   4   5.357   4.672   5.096
   27   2HB   PRO   4           HB1      PRO   4   4.315   4.968   6.497
   28   1HG   PRO   4           HG2      PRO   4   6.334   2.835   6.096
   29   2HG   PRO   4           HG1      PRO   4   5.662   3.477   7.603
   30   1HD   PRO   4           HD2      PRO   4   4.943   1.042   6.308
   31   2HD   PRO   4           HD1      PRO   4   4.170   1.766   7.733
   32    H    CYS   5           H        CYS   5   4.588   4.987   3.280
   33    HA   CYS   5           HA       CYS   5   4.790   2.732   1.368
   34   1HB   CYS   5           HB2      CYS   5   3.362   5.307   1.056
   35   2HB   CYS   5           HB1      CYS   5   4.339   4.800  -0.322
   36    H    PHE   6           H        PHE   6   6.170   3.634  -0.636
   37    HA   PHE   6           HA       PHE   6   8.310   5.462   0.268
   38   1HB   PHE   6           HB2      PHE   6   8.748   2.547  -0.427
   39   2HB   PHE   6           HB1      PHE   6  10.048   3.741  -0.432
   40    HD1  PHE   6           HD2      PHE   6   9.738   5.405   1.805
   41    HD2  PHE   6           HD1      PHE   6   8.754   1.237   1.494
   42    HE1  PHE   6           HE2      PHE   6   9.965   5.167   4.263
   43    HE2  PHE   6           HE1      PHE   6   8.980   0.998   3.951
   44    HZ   PHE   6           HZ       PHE   6   9.586   2.964   5.336
   45    H    THR   7           H        THR   7  10.111   5.086  -1.777
   46    HA   THR   7           HA       THR   7   8.457   5.367  -4.253
   47    HB   THR   7           HB       THR   7  10.795   6.977  -4.490
   48    HG1  THR   7           HG1      THR   7  11.028   7.704  -2.553
   49   1HG2  THR   7          1HG2      THR   7   8.155   7.075  -5.197
   50   2HG2  THR   7          3HG2      THR   7   8.221   8.308  -3.938
   51   3HG2  THR   7          2HG2      THR   7   9.273   8.430  -5.348
   52    H    THR   8           H        THR   8  10.382   5.615  -6.136
   53    HA   THR   8           HA       THR   8  12.014   4.438  -7.346
   54    HB   THR   8           HB       THR   8  13.889   3.707  -6.200
   55    HG1  THR   8           HG1      THR   8  13.566   2.080  -4.941
   56   1HG2  THR   8          1HG2      THR   8  12.844   5.968  -5.255
   57   2HG2  THR   8          3HG2      THR   8  12.739   5.015  -3.774
   58   3HG2  THR   8          2HG2      THR   8  14.302   5.269  -4.552
   59    H    ASP   9           H        ASP   9  12.689   2.049  -7.781
   60    HA   ASP   9           HA       ASP   9  10.218   0.435  -7.634
   61   1HB   ASP   9           HB2      ASP   9  12.439   0.669  -9.456
   62   2HB   ASP   9           HB1      ASP   9  12.273  -1.009  -8.937
   63    H    HIS  10           H        HIS  10  10.159  -0.339  -5.499
   64    HA   HIS  10           HA       HIS  10  12.395  -2.188  -4.773
   65   1HB   HIS  10           HB2      HIS  10  11.022  -0.072  -3.169
   66   2HB   HIS  10           HB1      HIS  10  11.496  -1.554  -2.339
   67    HD1  HIS  10           HD1      HIS  10  12.799   1.606  -2.648
   68    HD2  HIS  10           HD2      HIS  10  14.423  -2.119  -3.577
   69    HE1  HIS  10           HE1      HIS  10  15.314   1.907  -2.673
   70    H    GLN  11           H        GLN  11   9.159  -1.926  -5.553
   71    HA   GLN  11           HA       GLN  11   7.385  -3.455  -5.422
   72   1HB   GLN  11           HB2      GLN  11   9.789  -5.120  -4.793
   73   2HB   GLN  11           HB1      GLN  11   8.198  -5.806  -4.461
   74   1HG   GLN  11           HG2      GLN  11   7.507  -5.512  -6.751
   75   2HG   GLN  11           HG1      GLN  11   8.953  -4.572  -7.122
   76   1HE2  GLN  11          2HE2      GLN  11   9.118  -8.520  -7.589
   77   2HE2  GLN  11          1HE2      GLN  11   7.677  -7.630  -7.492
   78    H    MET  12           H        MET  12   7.319  -1.680  -3.432
   79    HA   MET  12           HA       MET  12   6.814  -3.316  -0.974
   80   1HB   MET  12           HB2      MET  12   8.654  -1.376  -1.084
   81   2HB   MET  12           HB1      MET  12   7.243  -0.366  -0.783
   82   1HG   MET  12           HG2      MET  12   8.256  -2.657   0.919
   83   2HG   MET  12           HG1      MET  12   8.161  -0.953   1.363
   84   1HE   MET  12           HE2      MET  12   5.854   0.147   0.349
   85   2HE   MET  12           HE1      MET  12   4.356  -0.274   1.177
   86   3HE   MET  12           HE3      MET  12   5.757   0.283   2.104
   87    H    ALA  13           H        ALA  13   5.865  -0.194  -2.453
   88    HA   ALA  13           HA       ALA  13   3.357  -0.014  -1.109
   89   1HB   ALA  13           HB3      ALA  13   4.629   1.289  -3.457
   90   2HB   ALA  13           HB2      ALA  13   2.869   1.378  -3.374
   91   3HB   ALA  13           HB1      ALA  13   3.848   2.014  -2.052
   92    NH1  ARG  14           NH2      ARG  14   4.593  -7.784  -8.078
   93    NH2  ARG  14           NH1      ARG  14   4.576  -8.632  -5.982
   94    H    ARG  14           H        ARG  14   4.343  -2.153  -3.568
   95    HA   ARG  14           HA       ARG  14   1.684  -2.434  -4.780
   96   1HB   ARG  14           HB2      ARG  14   3.583  -2.834  -6.216
   97   2HB   ARG  14           HB1      ARG  14   4.252  -4.014  -5.087
   98   1HG   ARG  14           HG2      ARG  14   1.483  -4.579  -5.934
   99   2HG   ARG  14           HG1      ARG  14   2.672  -4.655  -7.236
  100   1HD   ARG  14           HD2      ARG  14   3.139  -6.025  -4.586
  101   2HD   ARG  14           HD1      ARG  14   2.271  -6.819  -5.899
  102    HE   ARG  14           HE       ARG  14   5.013  -5.741  -6.371
  103   1HH1  ARG  14          1HH2      ARG  14   4.527  -7.001  -8.695
  104   2HH1  ARG  14          2HH2      ARG  14   4.736  -8.702  -8.447
  105   1HH2  ARG  14          1HH1      ARG  14   4.498  -8.497  -4.994
  106   2HH2  ARG  14          2HH1      ARG  14   4.720  -9.549  -6.351
  107    H    LYS  15           H        LYS  15   3.542  -3.963  -2.218
  108    HA   LYS  15           HA       LYS  15   1.737  -6.263  -2.067
  109   1HB   LYS  15           HB2      LYS  15   3.094  -6.750  -0.003
  110   2HB   LYS  15           HB1      LYS  15   4.048  -6.629  -1.475
  111   1HG   LYS  15           HG2      LYS  15   4.918  -4.539  -0.885
  112   2HG   LYS  15           HG1      LYS  15   3.600  -4.196   0.234
  113   1HD   LYS  15           HD2      LYS  15   5.677  -6.361   0.657
  114   2HD   LYS  15           HD1      LYS  15   5.744  -4.761   1.396
  115   1HE   LYS  15           HE2      LYS  15   3.626  -6.887   1.807
  116   2HE   LYS  15           HE1      LYS  15   4.738  -6.236   3.010
  117   1HZ   LYS  15           HZ3      LYS  15   3.652  -4.005   2.434
  118   2HZ   LYS  15           HZ2      LYS  15   2.404  -4.939   1.758
  119   3HZ   LYS  15           HZ1      LYS  15   2.786  -5.090   3.406
  120    H    CYS  16           H        CYS  16   2.203  -3.167  -0.440
  121    HA   CYS  16           HA       CYS  16   0.724  -3.484   1.896
  122   1HB   CYS  16           HB2      CYS  16   1.796  -1.369   1.329
  123   2HB   CYS  16           HB1      CYS  16   0.691  -1.140  -0.027
  124    H    ASP  17           H        ASP  17  -0.633  -2.564  -1.293
  125    HA   ASP  17           HA       ASP  17  -3.346  -2.461  -0.708
  126   1HB   ASP  17           HB2      ASP  17  -2.231  -2.232  -2.992
  127   2HB   ASP  17           HB1      ASP  17  -2.253  -3.990  -3.086
  128    H    ASP  18           H        ASP  18  -1.522  -5.421  -1.560
  129    HA   ASP  18           HA       ASP  18  -3.541  -7.328  -1.289
  130   1HB   ASP  18           HB2      ASP  18  -0.688  -7.341  -1.369
  131   2HB   ASP  18           HB1      ASP  18  -1.190  -8.383  -0.037
  132    H    CYS  19           H        CYS  19  -1.529  -5.912   1.274
  133    HA   CYS  19           HA       CYS  19  -2.399  -7.406   3.481
  134   1HB   CYS  19           HB2      CYS  19  -0.749  -5.399   3.370
  135   2HB   CYS  19           HB1      CYS  19  -2.178  -4.399   3.615
  136    H    CYS  20           H        CYS  20  -3.918  -4.589   1.978
  137    HA   CYS  20           HA       CYS  20  -6.161  -4.357   3.693
  138   1HB   CYS  20           HB2      CYS  20  -5.709  -3.688   0.784
  139   2HB   CYS  20           HB1      CYS  20  -7.244  -3.344   1.582
  140    H    GLY  21           H        GLY  21  -5.642  -6.410   0.838
  141   1HA   GLY  21           HA2      GLY  21  -7.236  -8.546   1.618
  142   2HA   GLY  21           HA1      GLY  21  -8.358  -7.440   0.824
  143    H    GLY  22           H        GLY  22  -6.737  -6.413  -1.186
  144   1HA   GLY  22           HA2      GLY  22  -5.258  -8.346  -2.662
  145   2HA   GLY  22           HA1      GLY  22  -6.931  -8.366  -3.221
  146    H    LYS  23           H        LYS  23  -5.261  -7.569  -5.140
  147    HA   LYS  23           HA       LYS  23  -4.458  -4.844  -5.130
  148   1HB   LYS  23           HB2      LYS  23  -4.039  -5.086  -7.421
  149   2HB   LYS  23           HB1      LYS  23  -3.923  -6.746  -6.841
  150   1HG   LYS  23           HG2      LYS  23  -6.196  -7.215  -7.576
  151   2HG   LYS  23           HG1      LYS  23  -6.435  -5.524  -8.025
  152   1HD   LYS  23           HD2      LYS  23  -4.543  -5.746  -9.654
  153   2HD   LYS  23           HD1      LYS  23  -4.481  -7.470  -9.281
  154   1HE   LYS  23           HE2      LYS  23  -7.194  -6.583  -9.883
  155   2HE   LYS  23           HE1      LYS  23  -6.086  -6.273 -11.221
  156   1HZ   LYS  23           HZ2      LYS  23  -5.323  -8.601 -10.988
  157   2HZ   LYS  23           HZ1      LYS  23  -6.559  -8.862  -9.851
  158   3HZ   LYS  23           HZ3      LYS  23  -6.951  -8.465 -11.453
  159    H    GLY  24           H        GLY  24  -5.503  -2.971  -5.968
  160   1HA   GLY  24           HA2      GLY  24  -7.335  -1.645  -6.659
  161   2HA   GLY  24           HA1      GLY  24  -8.287  -3.117  -6.850
  162    NH1  ARG  25           NH1      ARG  25 -11.547  -7.411  -1.017
  163    NH2  ARG  25           NH2      ARG  25 -13.010  -5.701  -1.224
  164    H    ARG  25           H        ARG  25  -6.732  -2.951  -3.811
  165    HA   ARG  25           HA       ARG  25  -8.984  -1.526  -2.534
  166   1HB   ARG  25           HB2      ARG  25  -8.492  -4.029  -1.126
  167   2HB   ARG  25           HB1      ARG  25 -10.022  -3.327  -1.646
  168   1HG   ARG  25           HG2      ARG  25  -9.736  -4.239  -3.884
  169   2HG   ARG  25           HG1      ARG  25  -8.125  -4.830  -3.475
  170   1HD   ARG  25           HD2      ARG  25  -9.408  -6.753  -3.168
  171   2HD   ARG  25           HD1      ARG  25  -9.396  -6.082  -1.538
  172    HE   ARG  25           HE       ARG  25 -11.653  -5.377  -3.341
  173   1HH1  ARG  25          1HH1      ARG  25 -10.713  -7.877  -1.310
  174   2HH1  ARG  25          2HH1      ARG  25 -12.094  -7.787  -0.269
  175   1HH2  ARG  25          1HH2      ARG  25 -13.297  -4.856  -1.677
  176   2HH2  ARG  25          2HH2      ARG  25 -13.556  -6.077  -0.476
  177    H    GLY  26           H        GLY  26  -6.175  -0.933  -2.730
  178   1HA   GLY  26           HA2      GLY  26  -5.549  -0.100  -0.161
  179   2HA   GLY  26           HA1      GLY  26  -4.859  -1.690  -0.278
  180    H    LYS  27           H        LYS  27  -3.648   1.094  -0.142
  181    HA   LYS  27           HA       LYS  27  -1.334   0.683  -1.673
  182   1HB   LYS  27           HB2      LYS  27  -3.456   1.287  -3.383
  183   2HB   LYS  27           HB1      LYS  27  -2.607   2.822  -3.198
  184   1HG   LYS  27           HG2      LYS  27  -0.736   2.070  -4.267
  185   2HG   LYS  27           HG1      LYS  27  -0.873   0.451  -3.578
  186   1HD   LYS  27           HD2      LYS  27  -3.093   0.574  -5.204
  187   2HD   LYS  27           HD1      LYS  27  -1.904   1.495  -6.128
  188   1HE   LYS  27           HE2      LYS  27  -1.431  -1.271  -4.978
  189   2HE   LYS  27           HE1      LYS  27  -1.830  -0.935  -6.663
  190   1HZ   LYS  27           HZ1      LYS  27   0.443   0.441  -5.403
  191   2HZ   LYS  27           HZ3      LYS  27   0.633  -1.155  -5.946
  192   3HZ   LYS  27           HZ2      LYS  27   0.186   0.064  -7.040
  193    H    CYS  28           H        CYS  28  -0.497   3.197  -2.338
  194    HA   CYS  28           HA       CYS  28  -0.241   4.459   0.266
  195   1HB   CYS  28           HB2      CYS  28   0.562   5.691  -2.374
  196   2HB   CYS  28           HB1      CYS  28   1.288   5.941  -0.786
  197    OH   TYR  29           OH       TYR  29  -6.203   2.532  -4.260
  198    H    TYR  29           H        TYR  29  -2.598   4.915   0.617
  199    HA   TYR  29           HA       TYR  29  -3.674   7.104  -1.080
  200   1HB   TYR  29           HB2      TYR  29  -4.948   5.354   1.043
  201   2HB   TYR  29           HB1      TYR  29  -5.783   6.682   0.238
  202    HD1  TYR  29           HD2      TYR  29  -5.786   6.655  -2.368
  203    HD2  TYR  29           HD1      TYR  29  -4.929   3.219   0.062
  204    HE1  TYR  29           HE2      TYR  29  -6.308   5.170  -4.284
  205    HE2  TYR  29           HE1      TYR  29  -5.450   1.734  -1.855
  206    HH   TYR  29           HH       TYR  29  -6.636   3.061  -4.935
  207    H    GLY  30           H        GLY  30  -3.976   9.170  -0.245
  208   1HA   GLY  30           HA2      GLY  30  -3.845  10.945   1.289
  209   2HA   GLY  30           HA1      GLY  30  -3.946   9.745   2.575
  210    HA   PRO  31           HA       PRO  31   0.365  10.890   2.711
  211   1HB   PRO  31           HB2      PRO  31   0.556  11.116   5.441
  212   2HB   PRO  31           HB1      PRO  31   0.002  12.430   4.387
  213   1HG   PRO  31           HG2      PRO  31  -1.590  10.669   6.187
  214   2HG   PRO  31           HG1      PRO  31  -1.928  12.320   5.642
  215   1HD   PRO  31           HD2      PRO  31  -3.123   9.980   4.619
  216   2HD   PRO  31           HD1      PRO  31  -3.159  11.583   3.860
  217    H    GLN  32           H        GLN  32  -1.303   8.163   3.520
  218    HA   GLN  32           HA       GLN  32   1.207   6.693   4.097
  219   1HB   GLN  32           HB2      GLN  32  -1.294   6.203   5.729
  220   2HB   GLN  32           HB1      GLN  32   0.325   5.558   6.009
  221   1HG   GLN  32           HG2      GLN  32   0.982   8.116   6.134
  222   2HG   GLN  32           HG1      GLN  32  -0.727   8.319   6.517
  223   1HE2  GLN  32          2HE2      GLN  32   1.761   6.565   9.241
  224   2HE2  GLN  32          1HE2      GLN  32   2.311   6.896   7.669
  225    H    CYS  33           H        CYS  33  -0.099   4.194   4.587
  226    HA   CYS  33           HA       CYS  33  -1.272   3.721   1.880
  227   1HB   CYS  33           HB2      CYS  33   0.904   2.544   2.639
  228   2HB   CYS  33           HB1      CYS  33  -0.142   1.581   3.683
  229    H    LEU  34           H        LEU  34  -3.475   3.843   2.156
  230    HA   LEU  34           HA       LEU  34  -4.657   2.343   4.454
  231   1HB   LEU  34           HB2      LEU  34  -6.195   4.270   2.731
  232   2HB   LEU  34           HB1      LEU  34  -6.483   3.812   4.409
  233    HG   LEU  34           HG       LEU  34  -4.002   5.311   3.550
  234   1HD1  LEU  34          3HD1      LEU  34  -6.476   6.364   3.217
  235   2HD1  LEU  34          2HD1      LEU  34  -6.212   6.751   4.918
  236   3HD1  LEU  34          1HD1      LEU  34  -5.078   7.329   3.696
  237   1HD2  LEU  34          2HD2      LEU  34  -5.411   4.785   6.182
  238   2HD2  LEU  34          1HD2      LEU  34  -3.790   4.273   5.710
  239   3HD2  LEU  34          3HD2      LEU  34  -4.125   5.980   6.002
  240    H    CYS  35           H        CYS  35  -7.158   1.831   3.584
  241    HA   CYS  35           HA       CYS  35  -6.694   0.026   1.243
  242   1HB   CYS  35           HB2      CYS  35  -8.838  -0.085   3.390
  243   2HB   CYS  35           HB1      CYS  35  -8.581  -1.279   2.116
  244    NH1  ARG  36           NH2      ARG  36 -15.791   0.057   0.465
  245    NH2  ARG  36           NH1      ARG  36 -15.375  -1.201   2.296
  246    H    ARG  36           H        ARG  36  -8.804  -0.330  -0.068
  247    HA   ARG  36           HA       ARG  36 -10.345   0.640  -1.554
  248   1HB   ARG  36           HB2      ARG  36 -11.015   1.799   1.134
  249   2HB   ARG  36           HB1      ARG  36 -11.861   2.396  -0.295
  250   1HG   ARG  36           HG2      ARG  36 -13.087   0.506  -0.477
  251   2HG   ARG  36           HG1      ARG  36 -11.670  -0.520  -0.259
  252   1HD   ARG  36           HD2      ARG  36 -12.647  -1.049   1.728
  253   2HD   ARG  36           HD1      ARG  36 -11.971   0.490   2.262
  254    HE   ARG  36           HE       ARG  36 -14.157   1.451   2.145
  255   1HH1  ARG  36          1HH2      ARG  36 -15.554   0.824  -0.130
  256   2HH1  ARG  36          2HH2      ARG  36 -16.582  -0.516   0.251
  257   1HH2  ARG  36          1HH1      ARG  36 -14.820  -1.396   3.104
  258   2HH2  ARG  36          2HH1      ARG  36 -16.170  -1.771   2.085
   
  Start of MODEL           3
 Raw file had  258 H/Q atoms
  Start of MODEL    3
    1   1H    MET   1           H2       MET   1  -5.532  -0.105   9.307
    2   2H    MET   1           H1       MET   1  -6.311   1.393   9.115
    3   3H    MET   1           H3       MET   1  -6.420   0.220   7.895
    4    HA   MET   1           HA       MET   1  -4.768   1.365   6.934
    5   1HB   MET   1           HB2      MET   1  -3.325   2.919   8.178
    6   2HB   MET   1           HB1      MET   1  -5.016   3.197   8.594
    7   1HG   MET   1           HG2      MET   1  -3.917   1.175  10.330
    8   2HG   MET   1           HG1      MET   1  -2.889   2.608  10.365
    9   1HE   MET   1           HE1      MET   1  -3.760   1.738  12.646
   10   2HE   MET   1           HE3      MET   1  -4.770   2.880  13.544
   11   3HE   MET   1           HE2      MET   1  -5.480   1.420  12.859
   12    H    CYS   2           H        CYS   2  -2.545   0.838   6.472
   13    HA   CYS   2           HA       CYS   2  -1.530  -1.451   8.103
   14   1HB   CYS   2           HB2      CYS   2  -2.218  -1.841   5.670
   15   2HB   CYS   2           HB1      CYS   2  -0.822  -0.867   5.219
   16    H    MET   3           H        MET   3   0.838  -0.581   5.919
   17    HA   MET   3           HA       MET   3   2.236   0.973   8.033
   18   1HB   MET   3           HB2      MET   3   4.231   0.052   7.260
   19   2HB   MET   3           HB1      MET   3   3.106  -1.248   6.888
   20   1HG   MET   3           HG2      MET   3   2.851   0.109   4.606
   21   2HG   MET   3           HG1      MET   3   4.472   0.653   5.033
   22   1HE   MET   3           HE1      MET   3   3.899  -0.750   2.474
   23   2HE   MET   3           HE3      MET   3   4.033  -2.512   2.390
   24   3HE   MET   3           HE2      MET   3   2.587  -1.766   3.067
   25    HA   PRO   4           HA       PRO   4   2.563   4.143   4.939
   26   1HB   PRO   4           HB2      PRO   4   5.142   5.072   5.062
   27   2HB   PRO   4           HB1      PRO   4   3.975   5.253   6.384
   28   1HG   PRO   4           HG2      PRO   4   6.305   3.420   6.179
   29   2HG   PRO   4           HG1      PRO   4   5.495   4.053   7.622
   30   1HD   PRO   4           HD2      PRO   4   5.178   1.461   6.520
   31   2HD   PRO   4           HD1      PRO   4   4.187   2.192   7.797
   32    H    CYS   5           H        CYS   5   4.589   5.188   3.281
   33    HA   CYS   5           HA       CYS   5   5.608   3.074   1.554
   34   1HB   CYS   5           HB2      CYS   5   3.139   4.604   0.912
   35   2HB   CYS   5           HB1      CYS   5   4.292   4.370  -0.401
   36    H    PHE   6           H        PHE   6   6.461   4.272  -0.583
   37    HA   PHE   6           HA       PHE   6   7.811   6.766   0.369
   38   1HB   PHE   6           HB2      PHE   6   8.752   4.815  -1.756
   39   2HB   PHE   6           HB1      PHE   6   9.651   6.194  -1.126
   40    HD1  PHE   6           HD2      PHE   6   9.818   6.223   1.564
   41    HD2  PHE   6           HD1      PHE   6   9.246   2.726  -0.864
   42    HE1  PHE   6           HE2      PHE   6  10.714   4.807   3.391
   43    HE2  PHE   6           HE1      PHE   6  10.142   1.311   0.963
   44    HZ   PHE   6           HZ       PHE   6  10.876   2.350   3.091
   45    H    THR   7           H        THR   7   8.775   7.634  -2.106
   46    HA   THR   7           HA       THR   7   6.223   8.282  -3.528
   47    HB   THR   7           HB       THR   7   8.698   9.939  -3.850
   48    HG1  THR   7           HG1      THR   7   6.894  10.243  -1.691
   49   1HG2  THR   7          3HG2      THR   7   6.242  10.137  -4.912
   50   2HG2  THR   7          2HG2      THR   7   5.960  11.030  -3.418
   51   3HG2  THR   7          1HG2      THR   7   7.216  11.557  -4.536
   52    H    THR   8           H        THR   8   8.383   6.067  -3.864
   53    HA   THR   8           HA       THR   8   8.396   6.195  -6.804
   54    HB   THR   8           HB       THR   8  10.963   5.613  -6.662
   55    HG1  THR   8           HG1      THR   8  11.873   6.886  -4.919
   56   1HG2  THR   8          1HG2      THR   8   9.799   7.665  -7.669
   57   2HG2  THR   8          3HG2      THR   8  10.164   8.478  -6.147
   58   3HG2  THR   8          2HG2      THR   8  11.475   7.878  -7.162
   59    H    ASP   9           H        ASP   9  10.148   4.084  -7.291
   60    HA   ASP   9           HA       ASP   9  10.378   1.750  -7.096
   61   1HB   ASP   9           HB2      ASP   9   9.844   2.634  -4.408
   62   2HB   ASP   9           HB1      ASP   9   8.982   1.125  -4.713
   63    H    HIS  10           H        HIS  10   8.971  -0.193  -7.252
   64    HA   HIS  10           HA       HIS  10   6.125   0.566  -7.786
   65   1HB   HIS  10           HB2      HIS  10   7.660  -1.612  -9.222
   66   2HB   HIS  10           HB1      HIS  10   6.099  -0.921  -9.664
   67    HD1  HIS  10           HD1      HIS  10   9.769   0.025  -9.453
   68    HD2  HIS  10           HD2      HIS  10   6.255   1.385 -11.238
   69    HE1  HIS  10           HE1      HIS  10  10.442   1.890 -11.030
   70    H    GLN  11           H        GLN  11   8.339  -1.725  -6.352
   71    HA   GLN  11           HA       GLN  11   6.202  -3.661  -5.761
   72   1HB   GLN  11           HB2      GLN  11   9.124  -3.602  -5.625
   73   2HB   GLN  11           HB1      GLN  11   8.398  -4.330  -4.190
   74   1HG   GLN  11           HG2      GLN  11   6.928  -5.345  -6.363
   75   2HG   GLN  11           HG1      GLN  11   8.618  -5.414  -6.868
   76   1HE2  GLN  11          2HE2      GLN  11   7.574  -7.500  -3.468
   77   2HE2  GLN  11          1HE2      GLN  11   6.754  -6.058  -3.831
   78    H    MET  12           H        MET  12   6.578  -0.726  -4.634
   79    HA   MET  12           HA       MET  12   6.704  -1.206  -1.751
   80   1HB   MET  12           HB2      MET  12   7.400   0.944  -2.978
   81   2HB   MET  12           HB1      MET  12   5.681   1.286  -3.122
   82   1HG   MET  12           HG2      MET  12   6.682   2.369  -1.118
   83   2HG   MET  12           HG1      MET  12   5.421   1.214  -0.692
   84   1HE   MET  12           HE2      MET  12   5.894   0.733   1.576
   85   2HE   MET  12           HE1      MET  12   5.717  -0.818   0.760
   86   3HE   MET  12           HE3      MET  12   6.963  -0.602   1.997
   87    H    ALA  13           H        ALA  13   4.167   0.305  -3.742
   88    HA   ALA  13           HA       ALA  13   2.086  -0.176  -1.835
   89   1HB   ALA  13           HB2      ALA  13   2.184   1.435  -3.907
   90   2HB   ALA  13           HB1      ALA  13   1.520   0.051  -4.776
   91   3HB   ALA  13           HB3      ALA  13   0.636   0.746  -3.417
   92    NH1  ARG  14           NH2      ARG  14   4.358  -7.730  -7.970
   93    NH2  ARG  14           NH1      ARG  14   3.892  -9.650  -6.870
   94    H    ARG  14           H        ARG  14   3.704  -2.357  -3.865
   95    HA   ARG  14           HA       ARG  14   1.511  -4.092  -4.559
   96   1HB   ARG  14           HB2      ARG  14   3.944  -4.059  -5.485
   97   2HB   ARG  14           HB1      ARG  14   4.316  -5.082  -4.096
   98   1HG   ARG  14           HG2      ARG  14   1.892  -5.960  -5.445
   99   2HG   ARG  14           HG1      ARG  14   3.273  -5.938  -6.545
  100   1HD   ARG  14           HD2      ARG  14   3.907  -7.027  -3.890
  101   2HD   ARG  14           HD1      ARG  14   2.702  -7.969  -4.768
  102    HE   ARG  14           HE       ARG  14   5.516  -7.775  -5.438
  103   1HH1  ARG  14          1HH2      ARG  14   4.653  -6.775  -7.958
  104   2HH1  ARG  14          2HH2      ARG  14   4.123  -8.170  -8.838
  105   1HH2  ARG  14          1HH1      ARG  14   3.831 -10.165  -6.015
  106   2HH2  ARG  14          2HH1      ARG  14   3.662 -10.092  -7.737
  107    H    LYS  15           H        LYS  15   3.452  -3.693  -1.669
  108    HA   LYS  15           HA       LYS  15   2.310  -6.174  -0.508
  109   1HB   LYS  15           HB2      LYS  15   3.856  -4.637   1.389
  110   2HB   LYS  15           HB1      LYS  15   4.192  -6.238   0.737
  111   1HG   LYS  15           HG2      LYS  15   5.207  -5.177  -1.275
  112   2HG   LYS  15           HG1      LYS  15   4.932  -3.592  -0.552
  113   1HD   LYS  15           HD2      LYS  15   6.243  -5.271   1.374
  114   2HD   LYS  15           HD1      LYS  15   7.146  -5.325  -0.139
  115   1HE   LYS  15           HE2      LYS  15   7.276  -2.895  -0.205
  116   2HE   LYS  15           HE1      LYS  15   6.247  -2.769   1.222
  117   1HZ   LYS  15           HZ1      LYS  15   7.983  -4.121   2.396
  118   2HZ   LYS  15           HZ3      LYS  15   8.989  -3.876   1.053
  119   3HZ   LYS  15           HZ2      LYS  15   8.454  -2.546   1.965
  120    H    CYS  16           H        CYS  16   2.308  -2.657   0.004
  121    HA   CYS  16           HA       CYS  16   0.682  -2.636   2.342
  122   1HB   CYS  16           HB2      CYS  16   1.873  -0.717   0.764
  123   2HB   CYS  16           HB1      CYS  16   0.162  -0.459   0.425
  124    H    ASP  17           H        ASP  17  -0.254  -2.337  -1.098
  125    HA   ASP  17           HA       ASP  17  -3.046  -2.208  -0.801
  126   1HB   ASP  17           HB2      ASP  17  -1.734  -2.114  -2.971
  127   2HB   ASP  17           HB1      ASP  17  -1.609  -3.869  -2.898
  128    H    ASP  18           H        ASP  18  -1.036  -5.150  -1.179
  129    HA   ASP  18           HA       ASP  18  -3.081  -7.061  -0.826
  130   1HB   ASP  18           HB2      ASP  18  -0.135  -7.021  -0.393
  131   2HB   ASP  18           HB1      ASP  18  -1.030  -8.315   0.405
  132    H    CYS  19           H        CYS  19  -1.320  -5.151   1.561
  133    HA   CYS  19           HA       CYS  19  -2.009  -6.448   3.945
  134   1HB   CYS  19           HB2      CYS  19  -0.731  -4.164   3.439
  135   2HB   CYS  19           HB1      CYS  19  -2.308  -3.468   3.809
  136    H    CYS  20           H        CYS  20  -3.936  -4.178   2.017
  137    HA   CYS  20           HA       CYS  20  -6.249  -4.390   3.787
  138   1HB   CYS  20           HB2      CYS  20  -5.574  -2.963   1.260
  139   2HB   CYS  20           HB1      CYS  20  -7.283  -3.261   1.581
  140    H    GLY  21           H        GLY  21  -5.175  -5.913   0.784
  141   1HA   GLY  21           HA2      GLY  21  -6.820  -8.190   1.113
  142   2HA   GLY  21           HA1      GLY  21  -7.682  -7.078   0.053
  143    H    GLY  22           H        GLY  22  -6.182  -6.163  -1.780
  144   1HA   GLY  22           HA2      GLY  22  -3.919  -7.644  -2.658
  145   2HA   GLY  22           HA1      GLY  22  -5.358  -8.324  -3.415
  146    H    LYS  23           H        LYS  23  -4.027  -7.449  -5.358
  147    HA   LYS  23           HA       LYS  23  -3.731  -4.694  -5.886
  148   1HB   LYS  23           HB2      LYS  23  -4.467  -6.856  -7.881
  149   2HB   LYS  23           HB1      LYS  23  -3.708  -5.307  -8.253
  150   1HG   LYS  23           HG2      LYS  23  -1.679  -5.912  -7.225
  151   2HG   LYS  23           HG1      LYS  23  -2.432  -7.206  -6.294
  152   1HD   LYS  23           HD2      LYS  23  -2.298  -7.261  -9.314
  153   2HD   LYS  23           HD1      LYS  23  -1.026  -7.942  -8.301
  154   1HE   LYS  23           HE2      LYS  23  -2.470  -9.569  -7.375
  155   2HE   LYS  23           HE1      LYS  23  -3.916  -8.708  -7.900
  156   1HZ   LYS  23           HZ3      LYS  23  -2.536  -9.161 -10.205
  157   2HZ   LYS  23           HZ2      LYS  23  -2.307 -10.595  -9.323
  158   3HZ   LYS  23           HZ1      LYS  23  -3.879 -10.043  -9.659
  159    H    GLY  24           H        GLY  24  -5.257  -3.124  -5.977
  160   1HA   GLY  24           HA2      GLY  24  -7.252  -2.147  -6.938
  161   2HA   GLY  24           HA1      GLY  24  -7.898  -3.772  -7.173
  162    NH1  ARG  25           NH1      ARG  25 -11.345  -8.994  -3.082
  163    NH2  ARG  25           NH2      ARG  25 -13.200  -7.760  -3.463
  164    H    ARG  25           H        ARG  25  -6.454  -3.409  -4.121
  165    HA   ARG  25           HA       ARG  25  -8.924  -2.441  -2.822
  166   1HB   ARG  25           HB2      ARG  25  -7.781  -5.212  -2.356
  167   2HB   ARG  25           HB1      ARG  25  -9.002  -4.457  -1.333
  168   1HG   ARG  25           HG2      ARG  25 -10.597  -4.402  -3.119
  169   2HG   ARG  25           HG1      ARG  25  -9.370  -4.830  -4.314
  170   1HD   ARG  25           HD2      ARG  25  -9.115  -7.041  -3.349
  171   2HD   ARG  25           HD1      ARG  25 -10.187  -6.626  -2.011
  172    HE   ARG  25           HE       ARG  25 -11.369  -6.416  -4.706
  173   1HH1  ARG  25          1HH1      ARG  25 -10.350  -9.087  -3.087
  174   2HH1  ARG  25          2HH1      ARG  25 -11.916  -9.757  -2.777
  175   1HH2  ARG  25          1HH2      ARG  25 -13.624  -6.904  -3.762
  176   2HH2  ARG  25          2HH2      ARG  25 -13.770  -8.522  -3.158
  177    H    GLY  26           H        GLY  26  -6.282  -1.350  -2.977
  178   1HA   GLY  26           HA2      GLY  26  -5.785  -0.572  -0.349
  179   2HA   GLY  26           HA1      GLY  26  -4.785  -1.973  -0.602
  180    H    LYS  27           H        LYS  27  -4.407   1.124  -0.394
  181    HA   LYS  27           HA       LYS  27  -2.157   1.215  -2.267
  182   1HB   LYS  27           HB2      LYS  27  -3.952   1.928  -3.758
  183   2HB   LYS  27           HB1      LYS  27  -4.519   3.099  -2.564
  184   1HG   LYS  27           HG2      LYS  27  -2.449   4.362  -2.744
  185   2HG   LYS  27           HG1      LYS  27  -1.756   3.142  -3.814
  186   1HD   LYS  27           HD2      LYS  27  -3.369   3.638  -5.540
  187   2HD   LYS  27           HD1      LYS  27  -4.275   4.696  -4.460
  188   1HE   LYS  27           HE2      LYS  27  -3.016   6.252  -5.647
  189   2HE   LYS  27           HE1      LYS  27  -1.972   5.964  -4.256
  190   1HZ   LYS  27           HZ3      LYS  27  -1.481   4.033  -6.259
  191   2HZ   LYS  27           HZ2      LYS  27  -1.357   5.590  -6.928
  192   3HZ   LYS  27           HZ1      LYS  27  -0.411   5.161  -5.582
  193    H    CYS  28           H        CYS  28  -0.668   2.881  -1.677
  194    HA   CYS  28           HA       CYS  28  -0.996   3.829   1.079
  195   1HB   CYS  28           HB2      CYS  28   1.240   4.104  -0.942
  196   2HB   CYS  28           HB1      CYS  28   1.308   4.787   0.683
  197    OH   TYR  29           OH       TYR  29  -7.340   4.094  -3.259
  198    H    TYR  29           H        TYR  29  -2.890   5.253   0.519
  199    HA   TYR  29           HA       TYR  29  -2.625   7.494  -1.246
  200   1HB   TYR  29           HB2      TYR  29  -4.376   7.088   1.199
  201   2HB   TYR  29           HB1      TYR  29  -4.549   8.428   0.065
  202    HD1  TYR  29           HD2      TYR  29  -4.272   7.390  -2.546
  203    HD2  TYR  29           HD1      TYR  29  -6.017   5.473   0.880
  204    HE1  TYR  29           HE2      TYR  29  -5.628   5.949  -4.042
  205    HE2  TYR  29           HE1      TYR  29  -7.372   4.032  -0.617
  206    HH   TYR  29           HH       TYR  29  -8.247   4.412  -3.237
  207    H    GLY  30           H        GLY  30  -1.101   9.065  -0.978
  208   1HA   GLY  30           HA2      GLY  30   0.303  10.619   0.086
  209   2HA   GLY  30           HA1      GLY  30  -1.004  10.784   1.254
  210    HA   PRO  31           HA       PRO  31   2.221   8.819   3.651
  211   1HB   PRO  31           HB2      PRO  31   1.770  10.216   5.971
  212   2HB   PRO  31           HB1      PRO  31   2.800  10.811   4.656
  213   1HG   PRO  31           HG2      PRO  31   0.043  11.659   5.413
  214   2HG   PRO  31           HG1      PRO  31   1.327  12.588   4.621
  215   1HD   PRO  31           HD2      PRO  31  -0.891  11.439   3.323
  216   2HD   PRO  31           HD1      PRO  31   0.586  12.021   2.531
  217    H    GLN  32           H        GLN  32  -0.525   7.811   3.224
  218    HA   GLN  32           HA       GLN  32  -0.790   6.343   5.774
  219   1HB   GLN  32           HB2      GLN  32  -2.724   8.344   4.772
  220   2HB   GLN  32           HB1      GLN  32  -3.428   6.803   5.263
  221   1HG   GLN  32           HG2      GLN  32  -2.930   7.125   7.463
  222   2HG   GLN  32           HG1      GLN  32  -1.381   7.889   7.101
  223   1HE2  GLN  32          1HE2      GLN  32  -4.884   8.643   6.576
  224   2HE2  GLN  32          2HE2      GLN  32  -4.740  10.277   7.011
  225    H    CYS  33           H        CYS  33  -1.467   4.248   5.438
  226    HA   CYS  33           HA       CYS  33  -1.960   3.476   2.607
  227   1HB   CYS  33           HB2      CYS  33  -0.103   2.436   4.091
  228   2HB   CYS  33           HB1      CYS  33  -1.423   1.565   4.873
  229    H    LEU  34           H        LEU  34  -4.037   3.082   2.048
  230    HA   LEU  34           HA       LEU  34  -5.887   2.091   4.181
  231   1HB   LEU  34           HB2      LEU  34  -6.578   3.885   1.833
  232   2HB   LEU  34           HB1      LEU  34  -7.688   3.342   3.093
  233    HG   LEU  34           HG       LEU  34  -5.176   4.931   3.674
  234   1HD1  LEU  34          1HD1      LEU  34  -7.415   5.885   2.331
  235   2HD1  LEU  34          3HD1      LEU  34  -7.737   6.305   4.013
  236   3HD1  LEU  34          2HD1      LEU  34  -6.259   6.866   3.232
  237   1HD2  LEU  34          1HD2      LEU  34  -7.374   3.723   5.242
  238   2HD2  LEU  34          3HD2      LEU  34  -5.732   4.136   5.737
  239   3HD2  LEU  34          2HD2      LEU  34  -6.977   5.384   5.683
  240    H    CYS  35           H        CYS  35  -8.062   1.524   2.533
  241    HA   CYS  35           HA       CYS  35  -6.973  -0.746   0.921
  242   1HB   CYS  35           HB2      CYS  35  -9.792  -0.376   1.974
  243   2HB   CYS  35           HB1      CYS  35  -9.091  -1.845   1.295
  244    NH1  ARG  36           NH1      ARG  36 -12.005   3.725  -5.129
  245    NH2  ARG  36           NH2      ARG  36 -10.415   5.153  -5.866
  246    H    ARG  36           H        ARG  36  -8.929  -1.324  -0.802
  247    HA   ARG  36           HA       ARG  36  -9.930   1.121  -2.075
  248   1HB   ARG  36           HB2      ARG  36  -7.627   0.823  -2.977
  249   2HB   ARG  36           HB1      ARG  36  -8.092  -0.777  -3.557
  250   1HG   ARG  36           HG2      ARG  36  -8.245   1.058  -5.296
  251   2HG   ARG  36           HG1      ARG  36  -9.739   0.155  -5.046
  252   1HD   ARG  36           HD2      ARG  36 -10.752   1.906  -3.857
  253   2HD   ARG  36           HD1      ARG  36  -9.207   2.666  -3.476
  254    HE   ARG  36           HE       ARG  36  -9.305   2.838  -6.219
  255   1HH1  ARG  36          1HH1      ARG  36 -12.277   2.810  -4.832
  256   2HH1  ARG  36          2HH1      ARG  36 -12.679   4.463  -5.156
  257   1HH2  ARG  36          1HH2      ARG  36  -9.468   5.333  -6.133
  258   2HH2  ARG  36          2HH2      ARG  36 -11.091   5.890  -5.896
   
  Start of MODEL           4
 Raw file had  258 H/Q atoms
  Start of MODEL    4
    1   1H    MET   1           H2       MET   1  -0.759   2.412   9.974
    2   2H    MET   1           H1       MET   1  -2.314   3.087   9.878
    3   3H    MET   1           H3       MET   1  -2.126   1.450  10.282
    4    HA   MET   1           HA       MET   1  -2.828   1.588   8.011
    5   1HB   MET   1           HB2      MET   1  -1.601   2.864   6.376
    6   2HB   MET   1           HB1      MET   1  -1.936   3.943   7.730
    7   1HG   MET   1           HG2      MET   1   0.434   2.901   8.537
    8   2HG   MET   1           HG1      MET   1   0.651   2.838   6.788
    9   1HE   MET   1           HE2      MET   1   2.504   3.968   7.108
   10   2HE   MET   1           HE1      MET   1   2.400   5.504   6.252
   11   3HE   MET   1           HE3      MET   1   2.769   5.475   7.982
   12    H    CYS   2           H        CYS   2  -1.432   0.578   6.088
   13    HA   CYS   2           HA       CYS   2   0.391  -1.402   7.379
   14   1HB   CYS   2           HB2      CYS   2  -1.768  -2.030   5.998
   15   2HB   CYS   2           HB1      CYS   2  -0.721  -1.738   4.610
   16    H    MET   3           H        MET   3   2.525  -1.085   7.007
   17    HA   MET   3           HA       MET   3   4.509  -0.432   5.944
   18   1HB   MET   3           HB2      MET   3   3.129  -1.816   4.071
   19   2HB   MET   3           HB1      MET   3   3.209  -0.240   3.288
   20   1HG   MET   3           HG2      MET   3   5.126  -1.690   2.669
   21   2HG   MET   3           HG1      MET   3   5.632  -0.208   3.473
   22   1HE   MET   3           HE3      MET   3   7.648  -1.045   3.564
   23   2HE   MET   3           HE2      MET   3   8.280  -1.591   5.117
   24   3HE   MET   3           HE1      MET   3   8.021  -2.756   3.820
   25    HA   PRO   4           HA       PRO   4   3.740   3.785   4.740
   26   1HB   PRO   4           HB2      PRO   4   6.344   4.633   4.817
   27   2HB   PRO   4           HB1      PRO   4   5.406   4.238   6.268
   28   1HG   PRO   4           HG2      PRO   4   7.570   2.680   4.938
   29   2HG   PRO   4           HG1      PRO   4   7.073   2.689   6.639
   30   1HD   PRO   4           HD2      PRO   4   6.413   0.705   4.755
   31   2HD   PRO   4           HD1      PRO   4   5.643   0.941   6.333
   32    H    CYS   5           H        CYS   5   3.066   3.547   2.480
   33    HA   CYS   5           HA       CYS   5   4.713   3.080   0.261
   34   1HB   CYS   5           HB2      CYS   5   2.361   4.978   0.521
   35   2HB   CYS   5           HB1      CYS   5   3.081   4.502  -1.017
   36    H    PHE   6           H        PHE   6   5.184   5.004  -1.411
   37    HA   PHE   6           HA       PHE   6   6.660   6.771  -1.876
   38   1HB   PHE   6           HB2      PHE   6   4.996   7.761   0.424
   39   2HB   PHE   6           HB1      PHE   6   6.327   8.749  -0.181
   40    HD1  PHE   6           HD2      PHE   6   6.409   9.213  -2.722
   41    HD2  PHE   6           HD1      PHE   6   2.920   7.747  -0.691
   42    HE1  PHE   6           HE2      PHE   6   4.991   9.964  -4.613
   43    HE2  PHE   6           HE1      PHE   6   1.503   8.499  -2.582
   44    HZ   PHE   6           HZ       PHE   6   2.540   9.607  -4.543
   45    H    THR   7           H        THR   7   8.263   8.378  -0.455
   46    HA   THR   7           HA       THR   7  10.267   8.403   0.812
   47    HB   THR   7           HB       THR   7   8.685   6.365   2.409
   48    HG1  THR   7           HG1      THR   7   7.693   8.162   2.860
   49   1HG2  THR   7          1HG2      THR   7  11.410   7.537   2.743
   50   2HG2  THR   7          3HG2      THR   7  10.420   7.339   4.188
   51   3HG2  THR   7          2HG2      THR   7  10.812   5.939   3.190
   52    H    THR   8           H        THR   8   9.525   6.171  -1.296
   53    HA   THR   8           HA       THR   8  12.099   5.001  -1.462
   54    HB   THR   8           HB       THR   8  11.899   3.552   0.310
   55    HG1  THR   8           HG1      THR   8  12.014   2.077  -1.260
   56   1HG2  THR   8          3HG2      THR   8   8.952   3.918  -0.123
   57   2HG2  THR   8          2HG2      THR   8   9.522   2.549   0.831
   58   3HG2  THR   8          1HG2      THR   8   9.908   4.194   1.334
   59    H    ASP   9           H        ASP   9  11.961   2.925  -2.954
   60    HA   ASP   9           HA       ASP   9   9.576   2.651  -4.583
   61   1HB   ASP   9           HB2      ASP   9  11.454   4.733  -5.262
   62   2HB   ASP   9           HB1      ASP   9  11.450   3.499  -6.523
   63    H    HIS  10           H        HIS  10  10.324   0.469  -3.761
   64    HA   HIS  10           HA       HIS  10  11.853  -0.867  -5.867
   65   1HB   HIS  10           HB2      HIS  10  12.913  -0.728  -3.032
   66   2HB   HIS  10           HB1      HIS  10  13.490  -1.870  -4.246
   67    HD1  HIS  10           HD1      HIS  10  13.472   1.794  -3.396
   68    HD2  HIS  10           HD2      HIS  10  15.108  -0.730  -6.283
   69    HE1  HIS  10           HE1      HIS  10  15.168   3.173  -4.677
   70    H    GLN  11           H        GLN  11   9.288  -1.367  -5.438
   71    HA   GLN  11           HA       GLN  11   7.881  -3.235  -5.120
   72   1HB   GLN  11           HB2      GLN  11  10.455  -4.334  -4.963
   73   2HB   GLN  11           HB1      GLN  11   9.647  -4.875  -3.491
   74   1HG   GLN  11           HG2      GLN  11   7.730  -5.131  -5.539
   75   2HG   GLN  11           HG1      GLN  11   9.234  -5.756  -6.217
   76   1HE2  GLN  11          2HE2      GLN  11   9.347  -8.583  -4.071
   77   2HE2  GLN  11          1HE2      GLN  11  10.208  -7.639  -5.188
   78    H    MET  12           H        MET  12   7.196  -1.334  -3.560
   79    HA   MET  12           HA       MET  12   7.156  -2.462  -0.786
   80   1HB   MET  12           HB2      MET  12   8.500  -0.216  -1.360
   81   2HB   MET  12           HB1      MET  12   6.892   0.485  -1.186
   82   1HG   MET  12           HG2      MET  12   7.256  -1.366   0.953
   83   2HG   MET  12           HG1      MET  12   8.692  -0.344   0.881
   84   1HE   MET  12           HE2      MET  12   5.066  -0.709   0.810
   85   2HE   MET  12           HE1      MET  12   4.357   0.671   1.645
   86   3HE   MET  12           HE3      MET  12   4.796   0.796  -0.063
   87    H    ALA  13           H        ALA  13   5.523  -0.037  -2.851
   88    HA   ALA  13           HA       ALA  13   3.025  -0.222  -1.435
   89   1HB   ALA  13           HB1      ALA  13   3.889   0.919  -4.076
   90   2HB   ALA  13           HB3      ALA  13   2.172   0.795  -3.702
   91   3HB   ALA  13           HB2      ALA  13   3.232   1.750  -2.667
   92    NH1  ARG  14           NH1      ARG  14   5.260  -6.302  -9.531
   93    NH2  ARG  14           NH2      ARG  14   6.136  -8.018  -8.346
   94    H    ARG  14           H        ARG  14   4.536  -2.394  -3.545
   95    HA   ARG  14           HA       ARG  14   2.242  -3.410  -4.957
   96   1HB   ARG  14           HB2      ARG  14   5.038  -4.223  -4.516
   97   2HB   ARG  14           HB1      ARG  14   3.923  -5.574  -4.723
   98   1HG   ARG  14           HG2      ARG  14   3.156  -4.721  -6.838
   99   2HG   ARG  14           HG1      ARG  14   4.012  -3.197  -6.597
  100   1HD   ARG  14           HD2      ARG  14   5.456  -4.376  -8.023
  101   2HD   ARG  14           HD1      ARG  14   6.142  -4.690  -6.430
  102    HE   ARG  14           HE       ARG  14   4.669  -6.859  -6.579
  103   1HH1  ARG  14          1HH1      ARG  14   4.774  -5.430  -9.560
  104   2HH1  ARG  14          2HH1      ARG  14   5.566  -6.733 -10.380
  105   1HH2  ARG  14          1HH2      ARG  14   6.319  -8.458  -7.468
  106   2HH2  ARG  14          2HH2      ARG  14   6.440  -8.450  -9.195
  107    H    LYS  15           H        LYS  15   3.642  -4.090  -1.784
  108    HA   LYS  15           HA       LYS  15   1.697  -6.266  -1.331
  109   1HB   LYS  15           HB2      LYS  15   2.924  -6.318   0.925
  110   2HB   LYS  15           HB1      LYS  15   3.857  -6.778  -0.495
  111   1HG   LYS  15           HG2      LYS  15   5.154  -4.886  -0.417
  112   2HG   LYS  15           HG1      LYS  15   3.844  -3.891   0.224
  113   1HD   LYS  15           HD2      LYS  15   4.828  -4.082   2.245
  114   2HD   LYS  15           HD1      LYS  15   4.333  -5.775   2.233
  115   1HE   LYS  15           HE2      LYS  15   6.424  -6.464   1.260
  116   2HE   LYS  15           HE1      LYS  15   6.901  -4.791   0.965
  117   1HZ   LYS  15           HZ2      LYS  15   6.288  -4.992   3.662
  118   2HZ   LYS  15           HZ1      LYS  15   7.249  -6.343   3.294
  119   3HZ   LYS  15           HZ3      LYS  15   7.822  -4.782   2.962
  120    H    CYS  16           H        CYS  16   2.154  -2.895  -0.614
  121    HA   CYS  16           HA       CYS  16   0.724  -2.540   1.769
  122   1HB   CYS  16           HB2      CYS  16   1.631  -0.888  -0.327
  123   2HB   CYS  16           HB1      CYS  16  -0.096  -0.559  -0.186
  124    H    ASP  17           H        ASP  17  -0.722  -2.405  -1.515
  125    HA   ASP  17           HA       ASP  17  -3.424  -2.368  -0.643
  126   1HB   ASP  17           HB2      ASP  17  -2.435  -2.053  -3.030
  127   2HB   ASP  17           HB1      ASP  17  -2.542  -3.809  -3.147
  128    H    ASP  18           H        ASP  18  -1.444  -5.165  -1.690
  129    HA   ASP  18           HA       ASP  18  -3.280  -7.218  -1.246
  130   1HB   ASP  18           HB2      ASP  18  -0.394  -6.993  -1.404
  131   2HB   ASP  18           HB1      ASP  18  -0.853  -8.190  -0.193
  132    H    CYS  19           H        CYS  19  -1.642  -5.217   1.088
  133    HA   CYS  19           HA       CYS  19  -1.995  -6.830   3.420
  134   1HB   CYS  19           HB2      CYS  19  -0.651  -4.643   3.131
  135   2HB   CYS  19           HB1      CYS  19  -2.179  -3.810   3.386
  136    H    CYS  20           H        CYS  20  -4.008  -4.245   2.033
  137    HA   CYS  20           HA       CYS  20  -6.168  -4.588   3.909
  138   1HB   CYS  20           HB2      CYS  20  -5.700  -3.085   1.391
  139   2HB   CYS  20           HB1      CYS  20  -7.385  -3.398   1.806
  140    H    GLY  21           H        GLY  21  -5.378  -6.092   0.828
  141   1HA   GLY  21           HA2      GLY  21  -7.043  -8.335   1.280
  142   2HA   GLY  21           HA1      GLY  21  -7.946  -7.208   0.268
  143    H    GLY  22           H        GLY  22  -6.619  -6.360  -1.672
  144   1HA   GLY  22           HA2      GLY  22  -4.383  -7.744  -2.704
  145   2HA   GLY  22           HA1      GLY  22  -5.828  -8.574  -3.279
  146    H    LYS  23           H        LYS  23  -4.485  -7.573  -5.295
  147    HA   LYS  23           HA       LYS  23  -4.560  -4.905  -6.032
  148   1HB   LYS  23           HB2      LYS  23  -5.283  -7.302  -7.747
  149   2HB   LYS  23           HB1      LYS  23  -4.917  -5.697  -8.379
  150   1HG   LYS  23           HG2      LYS  23  -2.725  -5.931  -6.960
  151   2HG   LYS  23           HG1      LYS  23  -3.083  -7.657  -7.027
  152   1HD   LYS  23           HD2      LYS  23  -3.136  -6.008  -9.544
  153   2HD   LYS  23           HD1      LYS  23  -1.602  -6.607  -8.909
  154   1HE   LYS  23           HE2      LYS  23  -4.025  -8.306  -9.582
  155   2HE   LYS  23           HE1      LYS  23  -2.542  -8.202 -10.533
  156   1HZ   LYS  23           HZ2      LYS  23  -1.409  -8.868  -8.343
  157   2HZ   LYS  23           HZ1      LYS  23  -2.953  -9.394  -7.868
  158   3HZ   LYS  23           HZ3      LYS  23  -2.212 -10.070  -9.236
  159    H    GLY  24           H        GLY  24  -6.318  -3.684  -5.300
  160   1HA   GLY  24           HA2      GLY  24  -8.450  -2.866  -6.473
  161   2HA   GLY  24           HA1      GLY  24  -9.010  -4.528  -6.295
  162    NH1  ARG  25           NH1      ARG  25 -11.861  -8.904  -1.186
  163    NH2  ARG  25           NH2      ARG  25 -13.249  -7.813  -2.599
  164    H    ARG  25           H        ARG  25  -7.139  -3.657  -3.627
  165    HA   ARG  25           HA       ARG  25  -9.414  -2.483  -2.140
  166   1HB   ARG  25           HB2      ARG  25  -8.055  -4.826  -0.866
  167   2HB   ARG  25           HB1      ARG  25  -9.694  -4.220  -0.633
  168   1HG   ARG  25           HG2      ARG  25 -10.152  -4.969  -3.043
  169   2HG   ARG  25           HG1      ARG  25  -8.625  -5.846  -2.949
  170   1HD   ARG  25           HD2      ARG  25  -9.410  -7.272  -1.241
  171   2HD   ARG  25           HD1      ARG  25 -10.740  -6.191  -0.826
  172    HE   ARG  25           HE       ARG  25 -10.867  -7.293  -3.545
  173   1HH1  ARG  25          1HH1      ARG  25 -10.943  -9.057  -0.821
  174   2HH1  ARG  25          2HH1      ARG  25 -12.634  -9.432  -0.835
  175   1HH2  ARG  25          1HH2      ARG  25 -13.395  -7.129  -3.315
  176   2HH2  ARG  25          2HH2      ARG  25 -14.022  -8.343  -2.249
  177    H    GLY  26           H        GLY  26  -6.933  -1.343  -2.889
  178   1HA   GLY  26           HA2      GLY  26  -5.975  -0.456  -0.324
  179   2HA   GLY  26           HA1      GLY  26  -4.813  -1.462  -1.121
  180    H    LYS  27           H        LYS  27  -4.635   1.395  -0.491
  181    HA   LYS  27           HA       LYS  27  -3.685   2.329  -3.086
  182   1HB   LYS  27           HB2      LYS  27  -6.352   2.874  -2.484
  183   2HB   LYS  27           HB1      LYS  27  -5.504   4.350  -2.019
  184   1HG   LYS  27           HG2      LYS  27  -4.777   4.780  -4.173
  185   2HG   LYS  27           HG1      LYS  27  -4.798   3.076  -4.631
  186   1HD   LYS  27           HD2      LYS  27  -7.390   3.299  -4.265
  187   2HD   LYS  27           HD1      LYS  27  -7.078   5.022  -4.488
  188   1HE   LYS  27           HE2      LYS  27  -6.469   2.777  -6.424
  189   2HE   LYS  27           HE1      LYS  27  -7.581   4.126  -6.659
  190   1HZ   LYS  27           HZ3      LYS  27  -5.559   5.590  -6.350
  191   2HZ   LYS  27           HZ2      LYS  27  -4.626   4.184  -6.550
  192   3HZ   LYS  27           HZ1      LYS  27  -5.646   4.715  -7.801
  193    H    CYS  28           H        CYS  28  -1.940   3.633  -2.688
  194    HA   CYS  28           HA       CYS  28  -1.290   4.310   0.083
  195   1HB   CYS  28           HB2      CYS  28   0.153   5.035  -2.487
  196   2HB   CYS  28           HB1      CYS  28   0.807   5.165  -0.855
  197    OH   TYR  29           OH       TYR  29  -8.526   7.356  -3.549
  198    H    TYR  29           H        TYR  29  -3.119   5.843   0.479
  199    HA   TYR  29           HA       TYR  29  -3.205   8.307  -1.113
  200   1HB   TYR  29           HB2      TYR  29  -4.697   7.210   1.243
  201   2HB   TYR  29           HB1      TYR  29  -4.716   8.953   0.982
  202    HD1  TYR  29           HD2      TYR  29  -4.948   9.509  -1.723
  203    HD2  TYR  29           HD1      TYR  29  -6.530   6.095   0.350
  204    HE1  TYR  29           HE2      TYR  29  -6.666   9.232  -3.489
  205    HE2  TYR  29           HE1      TYR  29  -8.249   5.819  -1.416
  206    HH   TYR  29           HH       TYR  29  -8.341   6.540  -4.018
  207    H    GLY  30           H        GLY  30  -1.624   9.826  -0.809
  208   1HA   GLY  30           HA2      GLY  30  -0.038  11.164   0.300
  209   2HA   GLY  30           HA1      GLY  30  -1.115  11.055   1.689
  210    HA   PRO  31           HA       PRO  31   2.278   8.540   3.074
  211   1HB   PRO  31           HB2      PRO  31   2.225   9.392   5.685
  212   2HB   PRO  31           HB1      PRO  31   3.063  10.263   4.388
  213   1HG   PRO  31           HG2      PRO  31   0.478  10.915   5.727
  214   2HG   PRO  31           HG1      PRO  31   1.657  12.000   4.969
  215   1HD   PRO  31           HD2      PRO  31  -0.765  11.167   3.802
  216   2HD   PRO  31           HD1      PRO  31   0.601  11.896   2.939
  217    H    GLN  32           H        GLN  32  -1.005   8.462   3.705
  218    HA   GLN  32           HA       GLN  32  -0.800   6.307   5.740
  219   1HB   GLN  32           HB2      GLN  32  -3.200   7.785   4.623
  220   2HB   GLN  32           HB1      GLN  32  -3.276   6.539   5.869
  221   1HG   GLN  32           HG2      GLN  32  -1.905   7.881   7.365
  222   2HG   GLN  32           HG1      GLN  32  -1.661   9.093   6.107
  223   1HE2  GLN  32          2HE2      GLN  32  -5.034   9.187   8.342
  224   2HE2  GLN  32          1HE2      GLN  32  -3.801   8.056   8.632
  225    H    CYS  33           H        CYS  33  -0.662   4.267   4.978
  226    HA   CYS  33           HA       CYS  33  -1.664   3.635   2.265
  227   1HB   CYS  33           HB2      CYS  33   0.562   2.800   2.872
  228   2HB   CYS  33           HB1      CYS  33  -0.111   1.977   4.279
  229    H    LEU  34           H        LEU  34  -3.854   3.248   2.281
  230    HA   LEU  34           HA       LEU  34  -4.868   1.392   4.395
  231   1HB   LEU  34           HB2      LEU  34  -6.499   3.532   3.011
  232   2HB   LEU  34           HB1      LEU  34  -6.954   2.574   4.421
  233    HG   LEU  34           HG       LEU  34  -4.450   4.194   4.594
  234   1HD1  LEU  34          2HD1      LEU  34  -7.007   5.331   3.921
  235   2HD1  LEU  34          1HD1      LEU  34  -6.579   5.802   5.566
  236   3HD1  LEU  34          3HD1      LEU  34  -5.482   6.160   4.232
  237   1HD2  LEU  34          1HD2      LEU  34  -6.637   3.214   6.421
  238   2HD2  LEU  34          3HD2      LEU  34  -4.899   2.938   6.530
  239   3HD2  LEU  34          2HD2      LEU  34  -5.568   4.521   6.932
  240    H    CYS  35           H        CYS  35  -7.419   1.045   3.246
  241    HA   CYS  35           HA       CYS  35  -6.742  -0.859   1.117
  242   1HB   CYS  35           HB2      CYS  35  -9.510  -0.144   2.115
  243   2HB   CYS  35           HB1      CYS  35  -8.970  -1.660   1.387
  244    NH1  ARG  36           NH1      ARG  36 -13.325   1.686  -4.335
  245    NH2  ARG  36           NH2      ARG  36 -13.050   2.631  -6.370
  246    H    ARG  36           H        ARG  36  -8.897  -0.788  -0.563
  247    HA   ARG  36           HA       ARG  36  -8.257   1.393  -2.317
  248   1HB   ARG  36           HB2      ARG  36  -9.037  -0.723  -3.229
  249   2HB   ARG  36           HB1      ARG  36 -10.558  -0.578  -2.350
  250   1HG   ARG  36           HG2      ARG  36 -10.916   1.618  -3.607
  251   2HG   ARG  36           HG1      ARG  36  -9.570   1.133  -4.640
  252   1HD   ARG  36           HD2      ARG  36 -10.739  -0.903  -5.286
  253   2HD   ARG  36           HD1      ARG  36 -12.050  -0.545  -4.163
  254    HE   ARG  36           HE       ARG  36 -11.825   0.509  -6.813
  255   1HH1  ARG  36          1HH1      ARG  36 -13.123   0.953  -3.685
  256   2HH1  ARG  36          2HH1      ARG  36 -13.941   2.430  -4.073
  257   1HH2  ARG  36          1HH2      ARG  36 -12.637   2.622  -7.281
  258   2HH2  ARG  36          2HH2      ARG  36 -13.665   3.375  -6.108
   
  Start of MODEL           5
 Raw file had  258 H/Q atoms
  Start of MODEL    5
    1   1H    MET   1           H2       MET   1  -4.888   1.473   9.553
    2   2H    MET   1           H1       MET   1  -5.881   2.530   8.668
    3   3H    MET   1           H3       MET   1  -6.005   0.857   8.430
    4    HA   MET   1           HA       MET   1  -4.792   1.624   6.598
    5   1HB   MET   1           HB2      MET   1  -2.613   2.967   7.195
    6   2HB   MET   1           HB1      MET   1  -4.160   3.811   7.136
    7   1HG   MET   1           HG2      MET   1  -3.125   4.491   9.180
    8   2HG   MET   1           HG1      MET   1  -4.369   3.327   9.634
    9   1HE   MET   1           HE1      MET   1  -3.131   3.308  11.901
   10   2HE   MET   1           HE3      MET   1  -1.489   2.707  12.176
   11   3HE   MET   1           HE2      MET   1  -1.742   4.254  11.371
   12    H    CYS   2           H        CYS   2  -2.867   0.556   5.804
   13    HA   CYS   2           HA       CYS   2  -1.611  -1.270   7.814
   14   1HB   CYS   2           HB2      CYS   2  -3.236  -2.233   6.013
   15   2HB   CYS   2           HB1      CYS   2  -1.892  -1.972   4.903
   16    H    MET   3           H        MET   3   0.514  -0.790   8.052
   17    HA   MET   3           HA       MET   3   2.687  -0.064   7.548
   18   1HB   MET   3           HB2      MET   3   2.063  -1.955   5.707
   19   2HB   MET   3           HB1      MET   3   2.314  -0.572   4.645
   20   1HG   MET   3           HG2      MET   3   4.393  -1.895   5.005
   21   2HG   MET   3           HG1      MET   3   4.545  -0.220   5.526
   22   1HE   MET   3           HE2      MET   3   4.353  -3.857   6.295
   23   2HE   MET   3           HE1      MET   3   6.018  -3.288   6.388
   24   3HE   MET   3           HE3      MET   3   5.232  -3.973   7.818
   25    HA   PRO   4           HA       PRO   4   2.141   3.786   5.450
   26   1HB   PRO   4           HB2      PRO   4   4.616   4.841   5.984
   27   2HB   PRO   4           HB1      PRO   4   3.347   4.663   7.208
   28   1HG   PRO   4           HG2      PRO   4   5.825   3.060   6.809
   29   2HG   PRO   4           HG1      PRO   4   4.903   3.353   8.293
   30   1HD   PRO   4           HD2      PRO   4   4.817   1.000   6.750
   31   2HD   PRO   4           HD1      PRO   4   3.654   1.460   8.006
   32    H    CYS   5           H        CYS   5   4.196   5.303   4.232
   33    HA   CYS   5           HA       CYS   5   5.354   3.613   2.128
   34   1HB   CYS   5           HB2      CYS   5   2.969   5.230   1.769
   35   2HB   CYS   5           HB1      CYS   5   4.264   5.756   0.694
   36    H    PHE   6           H        PHE   6   7.335   4.395   1.538
   37    HA   PHE   6           HA       PHE   6   8.056   7.113   2.542
   38   1HB   PHE   6           HB2      PHE   6   9.780   4.706   1.889
   39   2HB   PHE   6           HB1      PHE   6  10.413   6.280   2.371
   40    HD1  PHE   6           HD2      PHE   6  10.051   7.148   4.644
   41    HD2  PHE   6           HD1      PHE   6   8.633   3.265   3.478
   42    HE1  PHE   6           HE2      PHE   6   9.700   6.563   7.027
   43    HE2  PHE   6           HE1      PHE   6   8.280   2.679   5.862
   44    HZ   PHE   6           HZ       PHE   6   8.813   4.329   7.637
   45    H    THR   7           H        THR   7   7.198   8.188   0.668
   46    HA   THR   7           HA       THR   7   7.162   8.869  -1.616
   47    HB   THR   7           HB       THR   7  10.153   8.734  -1.316
   48    HG1  THR   7           HG1      THR   7   8.280  10.145   0.179
   49   1HG2  THR   7          2HG2      THR   7   8.281   9.998  -3.076
   50   2HG2  THR   7          1HG2      THR   7   9.132  11.249  -2.171
   51   3HG2  THR   7          3HG2      THR   7  10.042  10.073  -3.119
   52    H    THR   8           H        THR   8   9.884   8.094  -3.114
   53    HA   THR   8           HA       THR   8  10.329   6.555  -4.824
   54    HB   THR   8           HB       THR   8  10.030   4.105  -3.961
   55    HG1  THR   8           HG1      THR   8  10.133   4.495  -1.482
   56   1HG2  THR   8          2HG2      THR   8  12.043   5.964  -3.766
   57   2HG2  THR   8          1HG2      THR   8  11.826   5.482  -2.083
   58   3HG2  THR   8          3HG2      THR   8  12.195   4.267  -3.308
   59    H    ASP   9           H        ASP   9   7.946   4.341  -3.538
   60    HA   ASP   9           HA       ASP   9   5.825   3.717  -4.347
   61   1HB   ASP   9           HB2      ASP   9   6.003   6.497  -4.952
   62   2HB   ASP   9           HB1      ASP   9   5.346   5.677  -6.368
   63    H    HIS  10           H        HIS  10   7.319   2.039  -5.332
   64    HA   HIS  10           HA       HIS  10   7.003   2.109  -8.292
   65   1HB   HIS  10           HB2      HIS  10   9.537   1.809  -6.729
   66   2HB   HIS  10           HB1      HIS  10   9.351   0.857  -8.202
   67    HD1  HIS  10           HD1      HIS  10   9.985   4.291  -6.982
   68    HD2  HIS  10           HD2      HIS  10   8.974   2.481 -10.599
   69    HE1  HIS  10           HE1      HIS  10  10.398   6.017  -8.787
   70    H    GLN  11           H        GLN  11   8.147   0.036  -5.599
   71    HA   GLN  11           HA       GLN  11   6.237  -2.050  -6.494
   72   1HB   GLN  11           HB2      GLN  11   8.864  -2.194  -7.291
   73   2HB   GLN  11           HB1      GLN  11   8.892  -3.119  -5.790
   74   1HG   GLN  11           HG2      GLN  11   6.643  -4.132  -6.867
   75   2HG   GLN  11           HG1      GLN  11   7.498  -3.709  -8.351
   76   1HE2  GLN  11          2HE2      GLN  11   9.260  -6.472  -5.850
   77   2HE2  GLN  11          1HE2      GLN  11   8.275  -5.264  -5.177
   78    H    MET  12           H        MET  12   7.010  -0.166  -4.091
   79    HA   MET  12           HA       MET  12   7.382  -2.152  -1.945
   80   1HB   MET  12           HB2      MET  12   8.219   0.386  -2.131
   81   2HB   MET  12           HB1      MET  12   6.663   0.684  -1.358
   82   1HG   MET  12           HG2      MET  12   8.725  -1.285  -0.329
   83   2HG   MET  12           HG1      MET  12   8.524   0.355   0.286
   84   1HE   MET  12           HE3      MET  12   6.250   1.308   0.904
   85   2HE   MET  12           HE2      MET  12   5.187   0.455  -0.212
   86   3HE   MET  12           HE1      MET  12   4.869   0.391   1.520
   87    H    ALA  13           H        ALA  13   4.931   0.292  -2.814
   88    HA   ALA  13           HA       ALA  13   2.983  -0.505  -0.901
   89   1HB   ALA  13           HB1      ALA  13   3.038   1.126  -3.356
   90   2HB   ALA  13           HB3      ALA  13   1.470   0.396  -3.006
   91   3HB   ALA  13           HB2      ALA  13   2.243   1.440  -1.813
   92    NH1  ARG  14           NH1      ARG  14   4.032  -1.196  -6.464
   93    NH2  ARG  14           NH2      ARG  14   2.664  -0.760  -8.210
   94    H    ARG  14           H        ARG  14   4.110  -2.152  -3.669
   95    HA   ARG  14           HA       ARG  14   1.901  -3.481  -4.716
   96   1HB   ARG  14           HB2      ARG  14   4.669  -3.837  -4.805
   97   2HB   ARG  14           HB1      ARG  14   4.065  -5.357  -4.146
   98   1HG   ARG  14           HG2      ARG  14   3.702  -5.894  -6.327
   99   2HG   ARG  14           HG1      ARG  14   2.259  -4.896  -6.147
  100   1HD   ARG  14           HD2      ARG  14   4.783  -3.456  -6.775
  101   2HD   ARG  14           HD1      ARG  14   4.107  -4.451  -8.066
  102    HE   ARG  14           HE       ARG  14   1.942  -3.131  -7.651
  103   1HH1  ARG  14          1HH1      ARG  14   4.431  -1.845  -5.817
  104   2HH1  ARG  14          2HH1      ARG  14   4.282  -0.228  -6.421
  105   1HH2  ARG  14          1HH2      ARG  14   2.014  -1.075  -8.901
  106   2HH2  ARG  14          2HH2      ARG  14   2.912   0.208  -8.161
  107    H    LYS  15           H        LYS  15   3.459  -3.971  -1.588
  108    HA   LYS  15           HA       LYS  15   1.754  -6.294  -0.998
  109   1HB   LYS  15           HB2      LYS  15   2.950  -6.098   1.252
  110   2HB   LYS  15           HB1      LYS  15   3.962  -6.479  -0.135
  111   1HG   LYS  15           HG2      LYS  15   5.144  -4.576   0.119
  112   2HG   LYS  15           HG1      LYS  15   3.674  -3.606   0.209
  113   1HD   LYS  15           HD2      LYS  15   3.598  -3.671   2.503
  114   2HD   LYS  15           HD1      LYS  15   4.321  -5.278   2.583
  115   1HE   LYS  15           HE2      LYS  15   6.250  -3.503   1.448
  116   2HE   LYS  15           HE1      LYS  15   5.611  -2.752   2.911
  117   1HZ   LYS  15           HZ1      LYS  15   6.343  -5.598   2.944
  118   2HZ   LYS  15           HZ3      LYS  15   7.564  -4.427   3.066
  119   3HZ   LYS  15           HZ2      LYS  15   6.319  -4.477   4.220
  120    H    CYS  16           H        CYS  16   2.012  -2.869  -0.123
  121    HA   CYS  16           HA       CYS  16   0.316  -2.726   2.092
  122   1HB   CYS  16           HB2      CYS  16   1.389  -0.896   0.258
  123   2HB   CYS  16           HB1      CYS  16  -0.354  -0.649   0.166
  124    H    ASP  17           H        ASP  17  -0.617  -2.807  -1.342
  125    HA   ASP  17           HA       ASP  17  -3.439  -2.678  -0.959
  126   1HB   ASP  17           HB2      ASP  17  -2.016  -2.580  -3.141
  127   2HB   ASP  17           HB1      ASP  17  -2.140  -4.338  -3.119
  128    H    ASP  18           H        ASP  18  -1.266  -5.488  -1.302
  129    HA   ASP  18           HA       ASP  18  -3.152  -7.555  -1.089
  130   1HB   ASP  18           HB2      ASP  18  -0.304  -7.284  -0.897
  131   2HB   ASP  18           HB1      ASP  18  -0.859  -8.342   0.400
  132    H    CYS  19           H        CYS  19  -1.788  -5.530   1.459
  133    HA   CYS  19           HA       CYS  19  -2.595  -7.093   3.698
  134   1HB   CYS  19           HB2      CYS  19  -1.124  -5.026   3.738
  135   2HB   CYS  19           HB1      CYS  19  -2.590  -4.066   3.572
  136    H    CYS  20           H        CYS  20  -4.259  -4.331   2.174
  137    HA   CYS  20           HA       CYS  20  -6.657  -4.483   3.659
  138   1HB   CYS  20           HB2      CYS  20  -6.122  -3.598   0.815
  139   2HB   CYS  20           HB1      CYS  20  -7.710  -3.459   1.560
  140    H    GLY  21           H        GLY  21  -5.452  -6.587   1.183
  141   1HA   GLY  21           HA2      GLY  21  -7.079  -8.749   1.618
  142   2HA   GLY  21           HA1      GLY  21  -8.063  -7.746   0.549
  143    H    GLY  22           H        GLY  22  -6.475  -6.776  -1.317
  144   1HA   GLY  22           HA2      GLY  22  -4.351  -7.718  -2.520
  145   2HA   GLY  22           HA1      GLY  22  -5.324  -9.183  -2.582
  146    H    LYS  23           H        LYS  23  -4.756  -8.514  -5.001
  147    HA   LYS  23           HA       LYS  23  -5.711  -7.980  -7.070
  148   1HB   LYS  23           HB2      LYS  23  -7.790  -8.904  -6.028
  149   2HB   LYS  23           HB1      LYS  23  -8.186  -7.282  -5.465
  150   1HG   LYS  23           HG2      LYS  23  -9.309  -7.195  -7.462
  151   2HG   LYS  23           HG1      LYS  23  -7.715  -6.736  -8.064
  152   1HD   LYS  23           HD2      LYS  23  -7.320  -9.288  -8.338
  153   2HD   LYS  23           HD1      LYS  23  -9.073  -9.424  -8.204
  154   1HE   LYS  23           HE2      LYS  23  -9.239  -8.888 -10.382
  155   2HE   LYS  23           HE1      LYS  23  -8.575  -7.297 -10.005
  156   1HZ   LYS  23           HZ3      LYS  23  -6.355  -8.728 -10.018
  157   2HZ   LYS  23           HZ2      LYS  23  -7.264  -9.644 -11.123
  158   3HZ   LYS  23           HZ1      LYS  23  -6.977  -7.996 -11.416
  159    H    GLY  24           H        GLY  24  -7.602  -5.566  -5.252
  160   1HA   GLY  24           HA2      GLY  24  -5.695  -3.436  -5.817
  161   2HA   GLY  24           HA1      GLY  24  -7.099  -3.397  -6.878
  162    NH1  ARG  25           NH1      ARG  25 -11.170  -7.706  -2.712
  163    NH2  ARG  25           NH2      ARG  25 -10.611  -9.189  -1.099
  164    H    ARG  25           H        ARG  25  -6.828  -4.176  -3.384
  165    HA   ARG  25           HA       ARG  25  -8.781  -1.958  -2.914
  166   1HB   ARG  25           HB2      ARG  25  -9.390  -3.432  -0.845
  167   2HB   ARG  25           HB1      ARG  25 -10.020  -3.883  -2.424
  168   1HG   ARG  25           HG2      ARG  25  -8.257  -5.524  -2.724
  169   2HG   ARG  25           HG1      ARG  25  -7.476  -5.008  -1.228
  170   1HD   ARG  25           HD2      ARG  25  -8.941  -6.161   0.079
  171   2HD   ARG  25           HD1      ARG  25 -10.320  -5.750  -0.941
  172    HE   ARG  25           HE       ARG  25  -8.373  -7.841  -1.810
  173   1HH1  ARG  25          1HH1      ARG  25 -10.964  -6.884  -3.241
  174   2HH1  ARG  25          2HH1      ARG  25 -12.013  -8.216  -2.888
  175   1HH2  ARG  25          1HH2      ARG  25  -9.976  -9.502  -0.393
  176   2HH2  ARG  25          2HH2      ARG  25 -11.453  -9.699  -1.276
  177    H    GLY  26           H        GLY  26  -5.923  -1.661  -2.813
  178   1HA   GLY  26           HA2      GLY  26  -5.659  -0.380  -0.286
  179   2HA   GLY  26           HA1      GLY  26  -4.794  -1.887  -0.238
  180    H    LYS  27           H        LYS  27  -4.192   1.200  -0.505
  181    HA   LYS  27           HA       LYS  27  -1.810   0.793  -2.193
  182   1HB   LYS  27           HB2      LYS  27  -4.134   2.011  -3.249
  183   2HB   LYS  27           HB1      LYS  27  -2.991   3.317  -2.937
  184   1HG   LYS  27           HG2      LYS  27  -1.712   2.696  -4.681
  185   2HG   LYS  27           HG1      LYS  27  -1.626   1.038  -4.087
  186   1HD   LYS  27           HD2      LYS  27  -2.889   0.477  -5.875
  187   2HD   LYS  27           HD1      LYS  27  -4.231   1.249  -5.029
  188   1HE   LYS  27           HE2      LYS  27  -4.269   2.982  -6.476
  189   2HE   LYS  27           HE1      LYS  27  -2.521   3.194  -6.375
  190   1HZ   LYS  27           HZ1      LYS  27  -3.480   0.855  -7.822
  191   2HZ   LYS  27           HZ3      LYS  27  -3.733   2.359  -8.565
  192   3HZ   LYS  27           HZ2      LYS  27  -2.159   1.872  -8.151
  193    H    CYS  28           H        CYS  28  -1.156   3.580  -2.336
  194    HA   CYS  28           HA       CYS  28  -0.875   4.215   0.576
  195   1HB   CYS  28           HB2      CYS  28   1.095   4.282  -1.681
  196   2HB   CYS  28           HB1      CYS  28   1.272   5.431  -0.355
  197    OH   TYR  29           OH       TYR  29  -6.676   6.451  -5.240
  198    H    TYR  29           H        TYR  29  -2.639   5.770   0.604
  199    HA   TYR  29           HA       TYR  29  -2.497   7.976  -1.376
  200   1HB   TYR  29           HB2      TYR  29  -4.568   6.927   0.502
  201   2HB   TYR  29           HB1      TYR  29  -4.622   8.645   0.108
  202    HD1  TYR  29           HD2      TYR  29  -5.006   9.403  -2.197
  203    HD2  TYR  29           HD1      TYR  29  -4.964   5.226  -1.197
  204    HE1  TYR  29           HE2      TYR  29  -6.048   8.871  -4.383
  205    HE2  TYR  29           HE1      TYR  29  -6.008   4.694  -3.384
  206    HH   TYR  29           HH       TYR  29  -5.975   6.384  -5.894
  207    H    GLY  30           H        GLY  30  -1.128   9.601  -0.809
  208   1HA   GLY  30           HA2      GLY  30  -0.316  11.401   0.468
  209   2HA   GLY  30           HA1      GLY  30  -1.483  10.976   1.714
  210    HA   PRO  31           HA       PRO  31   2.207   9.247   3.466
  211   1HB   PRO  31           HB2      PRO  31   1.941  10.359   5.962
  212   2HB   PRO  31           HB1      PRO  31   2.664  11.208   4.584
  213   1HG   PRO  31           HG2      PRO  31  -0.024  11.577   5.819
  214   2HG   PRO  31           HG1      PRO  31   0.978  12.743   4.937
  215   1HD   PRO  31           HD2      PRO  31  -1.248  11.374   3.885
  216   2HD   PRO  31           HD1      PRO  31  -0.022  12.241   2.943
  217    H    GLN  32           H        GLN  32  -0.509   7.959   3.397
  218    HA   GLN  32           HA       GLN  32  -0.077   6.154   5.696
  219   1HB   GLN  32           HB2      GLN  32  -2.454   7.937   5.350
  220   2HB   GLN  32           HB1      GLN  32  -2.724   6.305   5.963
  221   1HG   GLN  32           HG2      GLN  32  -0.439   7.458   7.286
  222   2HG   GLN  32           HG1      GLN  32  -1.813   8.557   7.419
  223   1HE2  GLN  32          2HE2      GLN  32  -3.792   6.241   9.335
  224   2HE2  GLN  32          1HE2      GLN  32  -3.910   7.526   8.232
  225    H    CYS  33           H        CYS  33  -1.216   4.099   5.406
  226    HA   CYS  33           HA       CYS  33  -1.728   3.540   2.528
  227   1HB   CYS  33           HB2      CYS  33  -0.068   2.187   3.978
  228   2HB   CYS  33           HB1      CYS  33  -1.500   1.478   4.722
  229    H    LEU  34           H        LEU  34  -3.814   3.362   1.878
  230    HA   LEU  34           HA       LEU  34  -5.867   2.737   3.962
  231   1HB   LEU  34           HB2      LEU  34  -6.321   4.161   1.325
  232   2HB   LEU  34           HB1      LEU  34  -7.451   4.019   2.670
  233    HG   LEU  34           HG       LEU  34  -4.792   5.475   2.752
  234   1HD1  LEU  34          2HD1      LEU  34  -7.654   6.355   2.437
  235   2HD1  LEU  34          1HD1      LEU  34  -6.472   7.425   3.190
  236   3HD1  LEU  34          3HD1      LEU  34  -6.232   6.873   1.532
  237   1HD2  LEU  34          3HD2      LEU  34  -5.504   4.399   4.904
  238   2HD2  LEU  34          2HD2      LEU  34  -5.464   6.160   4.990
  239   3HD2  LEU  34          1HD2      LEU  34  -7.005   5.321   4.819
  240    H    CYS  35           H        CYS  35  -7.986   2.088   2.300
  241    HA   CYS  35           HA       CYS  35  -6.956  -0.342   0.888
  242   1HB   CYS  35           HB2      CYS  35  -9.542   0.067   2.413
  243   2HB   CYS  35           HB1      CYS  35  -9.177  -1.362   1.446
  244    NH1  ARG  36           NH1      ARG  36 -13.693  -0.840   1.960
  245    NH2  ARG  36           NH2      ARG  36 -13.889  -2.848   0.938
  246    H    ARG  36           H        ARG  36  -9.282  -1.085  -0.411
  247    HA   ARG  36           HA       ARG  36 -10.297  -0.663  -2.496
  248   1HB   ARG  36           HB2      ARG  36 -11.119   1.370  -0.561
  249   2HB   ARG  36           HB1      ARG  36 -11.249   1.937  -2.226
  250   1HG   ARG  36           HG2      ARG  36 -13.013   0.593  -2.643
  251   2HG   ARG  36           HG1      ARG  36 -12.204  -0.805  -1.933
  252   1HD   ARG  36           HD2      ARG  36 -12.730   0.612   0.314
  253   2HD   ARG  36           HD1      ARG  36 -14.088   1.123  -0.689
  254    HE   ARG  36           HE       ARG  36 -14.590  -1.351  -0.966
  255   1HH1  ARG  36          1HH1      ARG  36 -13.679   0.158   1.910
  256   2HH1  ARG  36          2HH1      ARG  36 -13.572  -1.300   2.839
  257   1HH2  ARG  36          1HH2      ARG  36 -14.022  -3.388   0.107
  258   2HH2  ARG  36          2HH2      ARG  36 -13.772  -3.307   1.819
   
  Start of MODEL           6
 Raw file had  258 H/Q atoms
  Start of MODEL    6
    1   1H    MET   1           H3       MET   1  -6.286   0.712   8.352
    2   2H    MET   1           H2       MET   1  -5.963   2.315   8.812
    3   3H    MET   1           H1       MET   1  -6.835   1.997   7.390
    4    HA   MET   1           HA       MET   1  -5.009   1.699   6.177
    5   1HB   MET   1           HB2      MET   1  -2.989   2.790   7.089
    6   2HB   MET   1           HB1      MET   1  -4.434   3.740   7.437
    7   1HG   MET   1           HG2      MET   1  -4.188   1.936   9.587
    8   2HG   MET   1           HG1      MET   1  -2.558   2.540   9.289
    9   1HE   MET   1           HE2      MET   1  -3.395   2.873  11.751
   10   2HE   MET   1           HE1      MET   1  -3.797   4.493  12.314
   11   3HE   MET   1           HE3      MET   1  -5.084   3.359  11.882
   12    H    CYS   2           H        CYS   2  -3.046   0.430   5.813
   13    HA   CYS   2           HA       CYS   2  -2.639  -1.723   7.852
   14   1HB   CYS   2           HB2      CYS   2  -3.944  -2.214   5.562
   15   2HB   CYS   2           HB1      CYS   2  -2.294  -2.359   4.957
   16    H    MET   3           H        MET   3  -0.783  -0.397   8.511
   17    HA   MET   3           HA       MET   3   1.572  -0.292   8.588
   18   1HB   MET   3           HB2      MET   3   2.825  -1.634   7.233
   19   2HB   MET   3           HB1      MET   3   1.264  -2.311   6.795
   20   1HG   MET   3           HG2      MET   3   1.334  -0.275   5.036
   21   2HG   MET   3           HG1      MET   3   3.068  -0.539   5.223
   22   1HE   MET   3           HE1      MET   3   4.121  -2.817   5.261
   23   2HE   MET   3           HE3      MET   3   2.861  -3.821   5.992
   24   3HE   MET   3           HE2      MET   3   3.539  -4.253   4.425
   25    HA   PRO   4           HA       PRO   4   2.170   3.467   6.463
   26   1HB   PRO   4           HB2      PRO   4   4.896   3.643   6.186
   27   2HB   PRO   4           HB1      PRO   4   4.057   3.805   7.739
   28   1HG   PRO   4           HG2      PRO   4   5.649   1.512   6.694
   29   2HG   PRO   4           HG1      PRO   4   5.354   2.003   8.371
   30   1HD   PRO   4           HD2      PRO   4   4.052  -0.110   7.022
   31   2HD   PRO   4           HD1      PRO   4   3.537   0.626   8.553
   32    H    CYS   5           H        CYS   5   3.504   4.550   4.521
   33    HA   CYS   5           HA       CYS   5   3.818   2.641   2.290
   34   1HB   CYS   5           HB2      CYS   5   1.632   4.502   2.613
   35   2HB   CYS   5           HB1      CYS   5   2.579   4.926   1.188
   36    H    PHE   6           H        PHE   6   5.978   3.694   3.519
   37    HA   PHE   6           HA       PHE   6   7.052   5.495   1.445
   38   1HB   PHE   6           HB2      PHE   6   6.953   6.232   4.384
   39   2HB   PHE   6           HB1      PHE   6   7.978   7.047   3.201
   40    HD1  PHE   6           HD2      PHE   6   6.981   8.342   1.345
   41    HD2  PHE   6           HD1      PHE   6   4.558   6.555   4.405
   42    HE1  PHE   6           HE2      PHE   6   5.066   9.752   0.648
   43    HE2  PHE   6           HE1      PHE   6   2.638   7.965   3.710
   44    HZ   PHE   6           HZ       PHE   6   2.894   9.564   1.831
   45    H    THR   7           H        THR   7   8.308   3.552   1.013
   46    HA   THR   7           HA       THR   7  10.515   3.169   2.994
   47    HB   THR   7           HB       THR   7  10.322   0.813   1.471
   48    HG1  THR   7           HG1      THR   7   7.840   1.016   2.621
   49   1HG2  THR   7          1HG2      THR   7  10.498   1.608   4.137
   50   2HG2  THR   7          3HG2      THR   7   9.004   0.674   4.068
   51   3HG2  THR   7          2HG2      THR   7  10.524  -0.052   3.543
   52    H    THR   8           H        THR   8   9.997   1.842  -0.267
   53    HA   THR   8           HA       THR   8  12.039   3.634  -1.399
   54    HB   THR   8           HB       THR   8  13.475   1.939  -0.444
   55    HG1  THR   8           HG1      THR   8  14.493   1.410  -2.266
   56   1HG2  THR   8          2HG2      THR   8  11.288   0.279  -0.691
   57   2HG2  THR   8          1HG2      THR   8  12.375  -0.340  -1.935
   58   3HG2  THR   8          3HG2      THR   8  12.915  -0.248  -0.258
   59    H    ASP   9           H        ASP   9  12.363   3.015  -3.810
   60    HA   ASP   9           HA       ASP   9   9.688   2.521  -4.942
   61   1HB   ASP   9           HB2      ASP   9  12.068   3.938  -5.750
   62   2HB   ASP   9           HB1      ASP   9  11.585   2.807  -7.014
   63    H    HIS  10           H        HIS  10   9.675   0.212  -4.274
   64    HA   HIS  10           HA       HIS  10  10.765  -1.474  -6.429
   65   1HB   HIS  10           HB2      HIS  10  11.751  -1.532  -3.607
   66   2HB   HIS  10           HB1      HIS  10  11.542  -3.076  -4.436
   67    HD1  HIS  10           HD1      HIS  10  14.387  -2.062  -3.752
   68    HD2  HIS  10           HD2      HIS  10  12.494  -1.360  -7.400
   69    HE1  HIS  10           HE1      HIS  10  16.223  -1.600  -5.435
   70    H    GLN  11           H        GLN  11   8.192  -1.060  -6.296
   71    HA   GLN  11           HA       GLN  11   6.134  -2.177  -6.140
   72   1HB   GLN  11           HB2      GLN  11   8.115  -4.242  -5.939
   73   2HB   GLN  11           HB1      GLN  11   6.823  -4.589  -4.789
   74   1HG   GLN  11           HG2      GLN  11   6.401  -5.542  -7.074
   75   2HG   GLN  11           HG1      GLN  11   5.147  -4.422  -6.540
   76   1HE2  GLN  11          2HE2      GLN  11   7.833  -2.745  -9.156
   77   2HE2  GLN  11          1HE2      GLN  11   8.406  -3.618  -7.817
   78    H    MET  12           H        MET  12   6.973  -0.401  -4.092
   79    HA   MET  12           HA       MET  12   6.695  -1.428  -1.448
   80   1HB   MET  12           HB2      MET  12   7.282   1.000  -2.415
   81   2HB   MET  12           HB1      MET  12   5.572   1.261  -2.084
   82   1HG   MET  12           HG2      MET  12   6.925  -0.143   0.094
   83   2HG   MET  12           HG1      MET  12   7.617   1.449  -0.217
   84   1HE   MET  12           HE3      MET  12   5.158  -0.764   0.814
   85   2HE   MET  12           HE2      MET  12   4.717   0.127   2.268
   86   3HE   MET  12           HE1      MET  12   3.580   0.026   0.927
   87    H    ALA  13           H        ALA  13   4.274   0.047  -3.606
   88    HA   ALA  13           HA       ALA  13   2.045  -0.346  -1.873
   89   1HB   ALA  13           HB1      ALA  13   2.408   0.168  -4.789
   90   2HB   ALA  13           HB3      ALA  13   0.832  -0.415  -4.254
   91   3HB   ALA  13           HB2      ALA  13   1.489   1.081  -3.593
   92    NH1  ARG  14           NH2      ARG  14   6.436  -8.008  -7.739
   93    NH2  ARG  14           NH1      ARG  14   6.351  -9.582  -6.115
   94    H    ARG  14           H        ARG  14   3.927  -2.631  -3.552
   95    HA   ARG  14           HA       ARG  14   1.952  -4.581  -4.233
   96   1HB   ARG  14           HB2      ARG  14   4.660  -4.422  -4.524
   97   2HB   ARG  14           HB1      ARG  14   4.539  -5.597  -3.215
   98   1HG   ARG  14           HG2      ARG  14   2.631  -6.591  -4.815
   99   2HG   ARG  14           HG1      ARG  14   3.628  -5.813  -6.044
  100   1HD   ARG  14           HD2      ARG  14   5.596  -7.000  -4.709
  101   2HD   ARG  14           HD1      ARG  14   4.297  -8.091  -4.224
  102    HE   ARG  14           HE       ARG  14   3.890  -8.133  -6.853
  103   1HH1  ARG  14          1HH2      ARG  14   6.034  -7.215  -8.197
  104   2HH1  ARG  14          2HH2      ARG  14   7.304  -8.385  -8.061
  105   1HH2  ARG  14          1HH1      ARG  14   5.885  -9.994  -5.331
  106   2HH2  ARG  14          2HH1      ARG  14   7.218  -9.964  -6.438
  107    H    LYS  15           H        LYS  15   3.306  -3.600  -1.187
  108    HA   LYS  15           HA       LYS  15   2.010  -5.933   0.141
  109   1HB   LYS  15           HB2      LYS  15   3.403  -4.751   2.142
  110   2HB   LYS  15           HB1      LYS  15   4.099  -5.980   1.089
  111   1HG   LYS  15           HG2      LYS  15   4.919  -4.158  -0.416
  112   2HG   LYS  15           HG1      LYS  15   4.321  -2.975   0.748
  113   1HD   LYS  15           HD2      LYS  15   6.121  -5.150   1.741
  114   2HD   LYS  15           HD1      LYS  15   6.840  -3.816   0.836
  115   1HE   LYS  15           HE2      LYS  15   6.021  -2.194   2.392
  116   2HE   LYS  15           HE1      LYS  15   4.961  -3.372   3.165
  117   1HZ   LYS  15           HZ3      LYS  15   7.708  -4.186   3.138
  118   2HZ   LYS  15           HZ2      LYS  15   7.470  -2.727   3.973
  119   3HZ   LYS  15           HZ1      LYS  15   6.611  -4.121   4.430
  120    H    CYS  16           H        CYS  16   1.675  -2.598  -0.460
  121    HA   CYS  16           HA       CYS  16   0.119  -2.050   1.985
  122   1HB   CYS  16           HB2      CYS  16   1.365  -0.178   1.197
  123   2HB   CYS  16           HB1      CYS  16   0.849  -0.437  -0.465
  124    H    ASP  17           H        ASP  17  -0.372  -3.153  -1.241
  125    HA   ASP  17           HA       ASP  17  -3.256  -2.522  -1.265
  126   1HB   ASP  17           HB2      ASP  17  -1.675  -2.556  -3.317
  127   2HB   ASP  17           HB1      ASP  17  -1.769  -4.310  -3.204
  128    H    ASP  18           H        ASP  18  -1.169  -5.426  -1.297
  129    HA   ASP  18           HA       ASP  18  -3.266  -7.339  -1.006
  130   1HB   ASP  18           HB2      ASP  18  -0.315  -7.314  -0.582
  131   2HB   ASP  18           HB1      ASP  18  -1.223  -8.616   0.187
  132    H    CYS  19           H        CYS  19  -1.501  -5.400   1.356
  133    HA   CYS  19           HA       CYS  19  -2.235  -6.749   3.732
  134   1HB   CYS  19           HB2      CYS  19  -0.829  -4.515   3.224
  135   2HB   CYS  19           HB1      CYS  19  -2.343  -3.768   3.717
  136    H    CYS  20           H        CYS  20  -4.027  -4.573   1.647
  137    HA   CYS  20           HA       CYS  20  -6.301  -4.250   3.420
  138   1HB   CYS  20           HB2      CYS  20  -6.036  -3.863   0.422
  139   2HB   CYS  20           HB1      CYS  20  -7.409  -3.330   1.391
  140    H    GLY  21           H        GLY  21  -5.380  -6.557   0.931
  141   1HA   GLY  21           HA2      GLY  21  -6.866  -8.713   1.740
  142   2HA   GLY  21           HA1      GLY  21  -8.036  -7.779   0.806
  143    H    GLY  22           H        GLY  22  -6.335  -6.755  -1.190
  144   1HA   GLY  22           HA2      GLY  22  -4.609  -8.613  -2.426
  145   2HA   GLY  22           HA1      GLY  22  -6.234  -8.939  -3.023
  146    H    LYS  23           H        LYS  23  -4.204  -8.018  -4.747
  147    HA   LYS  23           HA       LYS  23  -4.020  -5.242  -5.145
  148   1HB   LYS  23           HB2      LYS  23  -3.703  -5.805  -7.576
  149   2HB   LYS  23           HB1      LYS  23  -2.699  -6.765  -6.491
  150   1HG   LYS  23           HG2      LYS  23  -4.555  -8.523  -6.552
  151   2HG   LYS  23           HG1      LYS  23  -5.238  -7.610  -7.898
  152   1HD   LYS  23           HD2      LYS  23  -2.344  -8.152  -8.122
  153   2HD   LYS  23           HD1      LYS  23  -3.369  -9.586  -8.184
  154   1HE   LYS  23           HE2      LYS  23  -4.726  -7.787  -9.793
  155   2HE   LYS  23           HE1      LYS  23  -3.035  -7.446 -10.161
  156   1HZ   LYS  23           HZ3      LYS  23  -4.183 -10.181 -10.133
  157   2HZ   LYS  23           HZ2      LYS  23  -4.070  -9.229 -11.536
  158   3HZ   LYS  23           HZ1      LYS  23  -2.662  -9.707 -10.714
  159    H    GLY  24           H        GLY  24  -5.748  -3.874  -5.142
  160   1HA   GLY  24           HA2      GLY  24  -7.538  -3.249  -6.963
  161   2HA   GLY  24           HA1      GLY  24  -8.269  -4.770  -6.448
  162    NH1  ARG  25           NH1      ARG  25 -10.301  -8.877  -1.498
  163    NH2  ARG  25           NH2      ARG  25 -11.547  -8.035   0.189
  164    H    ARG  25           H        ARG  25  -6.934  -3.788  -3.685
  165    HA   ARG  25           HA       ARG  25  -8.980  -1.772  -2.984
  166   1HB   ARG  25           HB2      ARG  25  -9.154  -3.495  -0.821
  167   2HB   ARG  25           HB1      ARG  25 -10.354  -3.341  -2.101
  168   1HG   ARG  25           HG2      ARG  25  -9.695  -5.288  -3.147
  169   2HG   ARG  25           HG1      ARG  25  -8.018  -5.123  -2.629
  170   1HD   ARG  25           HD2      ARG  25  -8.535  -6.727  -1.109
  171   2HD   ARG  25           HD1      ARG  25  -9.322  -5.418  -0.226
  172    HE   ARG  25           HE       ARG  25 -11.353  -6.178  -1.810
  173   1HH1  ARG  25          1HH1      ARG  25  -9.751  -8.738  -2.320
  174   2HH1  ARG  25          2HH1      ARG  25 -10.451  -9.800  -1.146
  175   1HH2  ARG  25          1HH2      ARG  25 -11.950  -7.251   0.660
  176   2HH2  ARG  25          2HH2      ARG  25 -11.694  -8.959   0.540
  177    H    GLY  26           H        GLY  26  -6.149  -1.519  -3.155
  178   1HA   GLY  26           HA2      GLY  26  -5.589  -0.349  -0.623
  179   2HA   GLY  26           HA1      GLY  26  -4.763  -1.874  -0.723
  180    H    LYS  27           H        LYS  27  -3.974   1.119  -0.817
  181    HA   LYS  27           HA       LYS  27  -1.774   0.786  -2.695
  182   1HB   LYS  27           HB2      LYS  27  -4.157   1.846  -3.735
  183   2HB   LYS  27           HB1      LYS  27  -3.124   3.247  -3.446
  184   1HG   LYS  27           HG2      LYS  27  -1.912   2.740  -5.270
  185   2HG   LYS  27           HG1      LYS  27  -1.512   1.171  -4.572
  186   1HD   LYS  27           HD2      LYS  27  -4.115   0.790  -5.386
  187   2HD   LYS  27           HD1      LYS  27  -3.482   1.846  -6.648
  188   1HE   LYS  27           HE2      LYS  27  -1.416   0.182  -6.536
  189   2HE   LYS  27           HE1      LYS  27  -2.632  -0.920  -5.892
  190   1HZ   LYS  27           HZ2      LYS  27  -3.892   0.218  -7.996
  191   2HZ   LYS  27           HZ1      LYS  27  -2.297   0.074  -8.566
  192   3HZ   LYS  27           HZ3      LYS  27  -3.127  -1.299  -8.017
  193    H    CYS  28           H        CYS  28  -0.660   3.171  -2.838
  194    HA   CYS  28           HA       CYS  28  -0.377   3.984  -0.013
  195   1HB   CYS  28           HB2      CYS  28   1.177   4.645  -2.523
  196   2HB   CYS  28           HB1      CYS  28   1.510   5.405  -0.967
  197    OH   TYR  29           OH       TYR  29  -5.023   6.269  -5.932
  198    H    TYR  29           H        TYR  29  -1.510   5.816   0.745
  199    HA   TYR  29           HA       TYR  29  -1.973   8.041  -1.151
  200   1HB   TYR  29           HB2      TYR  29  -4.103   6.361   0.131
  201   2HB   TYR  29           HB1      TYR  29  -4.400   8.084  -0.108
  202    HD1  TYR  29           HD2      TYR  29  -3.762   9.007  -2.511
  203    HD2  TYR  29           HD1      TYR  29  -4.591   4.888  -1.610
  204    HE1  TYR  29           HE2      TYR  29  -4.282   8.588  -4.900
  205    HE2  TYR  29           HE1      TYR  29  -5.111   4.472  -3.999
  206    HH   TYR  29           HH       TYR  29  -4.220   5.974  -6.366
  207    H    GLY  30           H        GLY  30  -2.478  10.048  -0.013
  208   1HA   GLY  30           HA2      GLY  30  -2.072  11.557   1.740
  209   2HA   GLY  30           HA1      GLY  30  -2.822  10.332   2.764
  210    HA   PRO  31           HA       PRO  31   1.415   9.847   3.971
  211   1HB   PRO  31           HB2      PRO  31   1.110  10.361   6.649
  212   2HB   PRO  31           HB1      PRO  31   1.300  11.628   5.424
  213   1HG   PRO  31           HG2      PRO  31  -1.153  10.783   6.888
  214   2HG   PRO  31           HG1      PRO  31  -0.754  12.357   6.177
  215   1HD   PRO  31           HD2      PRO  31  -2.473  10.424   5.046
  216   2HD   PRO  31           HD1      PRO  31  -1.798  11.836   4.212
  217    H    GLN  32           H        GLN  32  -0.447   7.607   3.695
  218    HA   GLN  32           HA       GLN  32   0.890   5.686   5.364
  219   1HB   GLN  32           HB2      GLN  32  -1.181   7.008   6.678
  220   2HB   GLN  32           HB1      GLN  32  -1.913   5.495   6.143
  221   1HG   GLN  32           HG2      GLN  32  -0.941   4.571   7.968
  222   2HG   GLN  32           HG1      GLN  32   0.564   4.677   7.055
  223   1HE2  GLN  32          2HE2      GLN  32   1.937   7.143   9.159
  224   2HE2  GLN  32          1HE2      GLN  32   2.175   6.053   7.879
  225    H    CYS  33           H        CYS  33  -0.417   3.494   5.240
  226    HA   CYS  33           HA       CYS  33  -1.016   3.068   2.401
  227   1HB   CYS  33           HB2      CYS  33   0.309   1.405   3.601
  228   2HB   CYS  33           HB1      CYS  33  -0.980   1.189   4.783
  229    H    LEU  34           H        LEU  34  -3.061   3.182   1.577
  230    HA   LEU  34           HA       LEU  34  -5.333   3.102   3.506
  231   1HB   LEU  34           HB2      LEU  34  -5.151   4.189   0.680
  232   2HB   LEU  34           HB1      LEU  34  -6.631   4.161   1.637
  233    HG   LEU  34           HG       LEU  34  -4.109   5.743   2.126
  234   1HD1  LEU  34          2HD1      LEU  34  -7.061   6.359   1.877
  235   2HD1  LEU  34          1HD1      LEU  34  -5.897   7.533   2.489
  236   3HD1  LEU  34          3HD1      LEU  34  -5.748   6.920   0.844
  237   1HD2  LEU  34          2HD2      LEU  34  -6.268   4.971   4.104
  238   2HD2  LEU  34          1HD2      LEU  34  -4.524   4.771   4.275
  239   3HD2  LEU  34          3HD2      LEU  34  -5.237   6.383   4.330
  240    H    CYS  35           H        CYS  35  -7.436   2.347   2.085
  241    HA   CYS  35           HA       CYS  35  -6.741  -0.184   0.664
  242   1HB   CYS  35           HB2      CYS  35  -8.589   0.122   3.045
  243   2HB   CYS  35           HB1      CYS  35  -8.604  -1.290   1.988
  244    NH1  ARG  36           NH1      ARG  36 -10.633   5.670  -1.528
  245    NH2  ARG  36           NH2      ARG  36 -10.866   6.078  -3.741
  246    H    ARG  36           H        ARG  36  -9.402  -1.074   0.352
  247    HA   ARG  36           HA       ARG  36 -11.192   0.996  -0.491
  248   1HB   ARG  36           HB2      ARG  36  -9.124   0.778  -2.246
  249   2HB   ARG  36           HB1      ARG  36 -10.241  -0.412  -2.916
  250   1HG   ARG  36           HG2      ARG  36 -10.787   1.676  -3.955
  251   2HG   ARG  36           HG1      ARG  36 -12.050   1.369  -2.763
  252   1HD   ARG  36           HD2      ARG  36 -11.006   2.874  -1.178
  253   2HD   ARG  36           HD1      ARG  36  -9.601   3.071  -2.227
  254    HE   ARG  36           HE       ARG  36 -12.103   3.845  -3.514
  255   1HH1  ARG  36          1HH1      ARG  36 -10.697   5.044  -0.753
  256   2HH1  ARG  36          2HH1      ARG  36 -10.324   6.610  -1.387
  257   1HH2  ARG  36          1HH2      ARG  36 -11.106   5.762  -4.659
  258   2HH2  ARG  36          2HH2      ARG  36 -10.559   7.019  -3.599
   
  Start of MODEL           7
 Raw file had  258 H/Q atoms
  Start of MODEL    7
    1   1H    MET   1           H3       MET   1  -5.079  -0.207   8.558
    2   2H    MET   1           H2       MET   1  -4.657   1.081   9.581
    3   3H    MET   1           H1       MET   1  -5.712   1.341   8.275
    4    HA   MET   1           HA       MET   1  -4.050   1.214   6.702
    5   1HB   MET   1           HB2      MET   1  -2.253   2.687   7.526
    6   2HB   MET   1           HB1      MET   1  -3.823   3.237   8.111
    7   1HG   MET   1           HG2      MET   1  -3.373   2.654  10.288
    8   2HG   MET   1           HG1      MET   1  -2.352   1.292   9.823
    9   1HE   MET   1           HE2      MET   1  -2.200   3.261  11.981
   10   2HE   MET   1           HE1      MET   1  -0.604   4.000  12.089
   11   3HE   MET   1           HE3      MET   1  -1.968   4.921  11.441
   12    H    CYS   2           H        CYS   2  -1.930   0.430   6.040
   13    HA   CYS   2           HA       CYS   2  -1.076  -1.935   7.647
   14   1HB   CYS   2           HB2      CYS   2  -1.821  -2.214   5.229
   15   2HB   CYS   2           HB1      CYS   2  -0.377  -1.315   4.768
   16    H    MET   3           H        MET   3   0.535   0.338   5.398
   17    HA   MET   3           HA       MET   3   2.406   1.255   7.403
   18   1HB   MET   3           HB2      MET   3   4.358   0.080   6.795
   19   2HB   MET   3           HB1      MET   3   3.122  -1.172   6.799
   20   1HG   MET   3           HG2      MET   3   2.948  -0.189   4.228
   21   2HG   MET   3           HG1      MET   3   4.679  -0.097   4.553
   22   1HE   MET   3           HE3      MET   3   6.012  -1.378   4.084
   23   2HE   MET   3           HE2      MET   3   6.198  -2.973   4.809
   24   3HE   MET   3           HE1      MET   3   5.710  -2.831   3.122
   25    HA   PRO   4           HA       PRO   4   3.126   3.965   4.026
   26   1HB   PRO   4           HB2      PRO   4   5.744   4.756   4.237
   27   2HB   PRO   4           HB1      PRO   4   4.482   5.230   5.389
   28   1HG   PRO   4           HG2      PRO   4   6.687   3.268   5.728
   29   2HG   PRO   4           HG1      PRO   4   5.798   4.184   6.957
   30   1HD   PRO   4           HD2      PRO   4   5.399   1.460   6.274
   31   2HD   PRO   4           HD1      PRO   4   4.355   2.451   7.312
   32    H    CYS   5           H        CYS   5   5.101   4.615   2.269
   33    HA   CYS   5           HA       CYS   5   5.855   2.062   0.958
   34   1HB   CYS   5           HB2      CYS   5   4.532   4.497  -0.225
   35   2HB   CYS   5           HB1      CYS   5   5.453   3.380  -1.230
   36    H    PHE   6           H        PHE   6   7.885   2.809   2.276
   37    HA   PHE   6           HA       PHE   6   9.693   4.095   0.353
   38   1HB   PHE   6           HB2      PHE   6   9.175   5.327   3.076
   39   2HB   PHE   6           HB1      PHE   6  10.480   5.800   1.986
   40    HD1  PHE   6           HD2      PHE   6   9.872   6.623  -0.356
   41    HD2  PHE   6           HD1      PHE   6   6.992   6.199   2.803
   42    HE1  PHE   6           HE2      PHE   6   8.315   8.121  -1.574
   43    HE2  PHE   6           HE1      PHE   6   5.435   7.696   1.586
   44    HZ   PHE   6           HZ       PHE   6   6.096   8.656  -0.604
   45    H    THR   7           H        THR   7  10.062   1.597   0.870
   46    HA   THR   7           HA       THR   7  12.329   1.531   2.796
   47    HB   THR   7           HB       THR   7  10.703  -0.935   2.721
   48    HG1  THR   7           HG1      THR   7   9.036  -0.135   3.856
   49   1HG2  THR   7          2HG2      THR   7  12.674  -0.610   4.178
   50   2HG2  THR   7          1HG2      THR   7  11.860   0.744   4.962
   51   3HG2  THR   7          3HG2      THR   7  11.211  -0.887   5.124
   52    H    THR   8           H        THR   8  10.611  -0.860   0.770
   53    HA   THR   8           HA       THR   8  13.229  -1.550  -0.468
   54    HB   THR   8           HB       THR   8  11.903  -3.403   0.511
   55    HG1  THR   8           HG1      THR   8  13.159  -3.915  -1.254
   56   1HG2  THR   8          2HG2      THR   8   9.769  -2.009  -0.805
   57   2HG2  THR   8          1HG2      THR   8   9.851  -3.653  -1.438
   58   3HG2  THR   8          3HG2      THR   8   9.668  -3.384   0.295
   59    H    ASP   9           H        ASP   9  13.003  -2.171  -2.889
   60    HA   ASP   9           HA       ASP   9  11.273  -0.124  -4.222
   61   1HB   ASP   9           HB2      ASP   9  13.831  -1.252  -5.373
   62   2HB   ASP   9           HB1      ASP   9  12.966   0.207  -5.856
   63    H    HIS  10           H        HIS  10  10.584  -0.752  -6.448
   64    HA   HIS  10           HA       HIS  10   9.376  -2.295  -7.791
   65   1HB   HIS  10           HB2      HIS  10  11.984  -3.687  -7.183
   66   2HB   HIS  10           HB1      HIS  10  10.757  -4.451  -8.194
   67    HD1  HIS  10           HD1      HIS  10  12.609  -4.161 -10.147
   68    HD2  HIS  10           HD2      HIS  10  10.914  -0.636  -8.707
   69    HE1  HIS  10           HE1      HIS  10  13.118  -2.370 -11.863
   70    H    GLN  11           H        GLN  11   9.079  -2.395  -4.752
   71    HA   GLN  11           HA       GLN  11   7.297  -4.667  -4.678
   72   1HB   GLN  11           HB2      GLN  11  10.043  -4.925  -3.514
   73   2HB   GLN  11           HB1      GLN  11   8.694  -5.638  -2.629
   74   1HG   GLN  11           HG2      GLN  11   8.247  -6.363  -5.297
   75   2HG   GLN  11           HG1      GLN  11   9.984  -6.567  -5.066
   76   1HE2  GLN  11          2HE2      GLN  11   7.621  -8.663  -2.424
   77   2HE2  GLN  11          1HE2      GLN  11   7.223  -7.054  -2.791
   78    H    MET  12           H        MET  12   7.016  -1.914  -4.153
   79    HA   MET  12           HA       MET  12   6.603  -1.900  -1.187
   80   1HB   MET  12           HB2      MET  12   8.227  -0.192  -2.433
   81   2HB   MET  12           HB1      MET  12   6.711   0.644  -2.757
   82   1HG   MET  12           HG2      MET  12   7.713   1.457  -0.660
   83   2HG   MET  12           HG1      MET  12   6.185   0.636  -0.343
   84   1HE   MET  12           HE2      MET  12   5.982  -0.344   1.596
   85   2HE   MET  12           HE1      MET  12   6.028  -1.888   0.749
   86   3HE   MET  12           HE3      MET  12   6.911  -1.681   2.267
   87    H    ALA  13           H        ALA  13   5.362  -0.349  -4.161
   88    HA   ALA  13           HA       ALA  13   2.784   0.222  -3.005
   89   1HB   ALA  13           HB1      ALA  13   4.138   0.873  -5.375
   90   2HB   ALA  13           HB3      ALA  13   2.717  -0.034  -5.894
   91   3HB   ALA  13           HB2      ALA  13   2.525   1.410  -4.900
   92    NH1  ARG  14           NH2      ARG  14   5.189  -6.667  -7.789
   93    NH2  ARG  14           NH1      ARG  14   5.569  -7.786  -5.863
   94    H    ARG  14           H        ARG  14   4.143  -2.702  -3.915
   95    HA   ARG  14           HA       ARG  14   1.539  -3.865  -4.759
   96   1HB   ARG  14           HB2      ARG  14   4.080  -4.338  -5.673
   97   2HB   ARG  14           HB1      ARG  14   3.874  -5.654  -4.517
   98   1HG   ARG  14           HG2      ARG  14   1.453  -5.347  -6.043
   99   2HG   ARG  14           HG1      ARG  14   2.822  -5.489  -7.146
  100   1HD   ARG  14           HD2      ARG  14   2.865  -7.353  -4.850
  101   2HD   ARG  14           HD1      ARG  14   1.567  -7.626  -6.012
  102    HE   ARG  14           HE       ARG  14   3.220  -8.533  -7.408
  103   1HH1  ARG  14          1HH2      ARG  14   4.567  -6.388  -8.521
  104   2HH1  ARG  14          2HH2      ARG  14   6.142  -6.364  -7.802
  105   1HH2  ARG  14          1HH1      ARG  14   5.237  -8.367  -5.119
  106   2HH2  ARG  14          2HH1      ARG  14   6.521  -7.482  -5.873
  107    H    LYS  15           H        LYS  15   2.940  -3.145  -1.912
  108    HA   LYS  15           HA       LYS  15   2.033  -5.682  -0.612
  109   1HB   LYS  15           HB2      LYS  15   4.035  -3.590   0.280
  110   2HB   LYS  15           HB1      LYS  15   3.438  -4.869   1.337
  111   1HG   LYS  15           HG2      LYS  15   4.425  -6.572   0.035
  112   2HG   LYS  15           HG1      LYS  15   4.622  -5.510  -1.361
  113   1HD   LYS  15           HD2      LYS  15   6.769  -5.337  -0.604
  114   2HD   LYS  15           HD1      LYS  15   6.072  -4.151   0.500
  115   1HE   LYS  15           HE2      LYS  15   5.558  -6.322   1.949
  116   2HE   LYS  15           HE1      LYS  15   6.918  -6.970   1.034
  117   1HZ   LYS  15           HZ3      LYS  15   6.961  -4.424   2.560
  118   2HZ   LYS  15           HZ2      LYS  15   7.598  -5.898   3.115
  119   3HZ   LYS  15           HZ1      LYS  15   8.272  -5.137   1.754
  120    H    CYS  16           H        CYS  16   1.697  -2.189  -0.695
  121    HA   CYS  16           HA       CYS  16   0.137  -1.940   1.716
  122   1HB   CYS  16           HB2      CYS  16   1.054   0.078   0.858
  123   2HB   CYS  16           HB1      CYS  16   0.451  -0.242  -0.765
  124    H    ASP  17           H        ASP  17  -0.809  -2.087  -1.730
  125    HA   ASP  17           HA       ASP  17  -3.626  -2.215  -1.278
  126   1HB   ASP  17           HB2      ASP  17  -2.305  -1.877  -3.488
  127   2HB   ASP  17           HB1      ASP  17  -2.229  -3.635  -3.548
  128    H    ASP  18           H        ASP  18  -1.203  -4.793  -1.753
  129    HA   ASP  18           HA       ASP  18  -2.979  -7.003  -1.526
  130   1HB   ASP  18           HB2      ASP  18  -0.035  -6.634  -1.007
  131   2HB   ASP  18           HB1      ASP  18  -0.817  -8.173  -0.646
  132    H    CYS  19           H        CYS  19  -1.462  -4.987   0.918
  133    HA   CYS  19           HA       CYS  19  -1.861  -6.645   3.192
  134   1HB   CYS  19           HB2      CYS  19  -0.709  -4.253   2.857
  135   2HB   CYS  19           HB1      CYS  19  -2.274  -3.696   3.447
  136    H    CYS  20           H        CYS  20  -4.000  -4.335   1.574
  137    HA   CYS  20           HA       CYS  20  -6.128  -4.340   3.431
  138   1HB   CYS  20           HB2      CYS  20  -5.991  -3.953   0.447
  139   2HB   CYS  20           HB1      CYS  20  -7.540  -3.912   1.289
  140    H    GLY  21           H        GLY  21  -5.237  -6.738   0.999
  141   1HA   GLY  21           HA2      GLY  21  -5.928  -9.078   1.620
  142   2HA   GLY  21           HA1      GLY  21  -7.516  -8.409   1.986
  143    H    GLY  22           H        GLY  22  -6.340  -6.820  -0.713
  144   1HA   GLY  22           HA2      GLY  22  -7.368  -8.858  -2.587
  145   2HA   GLY  22           HA1      GLY  22  -8.121  -7.270  -2.598
  146    H    LYS  23           H        LYS  23  -6.952  -8.125  -4.916
  147    HA   LYS  23           HA       LYS  23  -4.220  -7.080  -5.043
  148   1HB   LYS  23           HB2      LYS  23  -4.907  -9.095  -6.352
  149   2HB   LYS  23           HB1      LYS  23  -6.006  -8.074  -7.280
  150   1HG   LYS  23           HG2      LYS  23  -4.235  -6.847  -8.252
  151   2HG   LYS  23           HG1      LYS  23  -3.075  -7.402  -7.045
  152   1HD   LYS  23           HD2      LYS  23  -2.544  -8.715  -8.920
  153   2HD   LYS  23           HD1      LYS  23  -3.589  -9.779  -7.977
  154   1HE   LYS  23           HE2      LYS  23  -4.847  -7.951  -9.991
  155   2HE   LYS  23           HE1      LYS  23  -4.036  -9.410 -10.562
  156   1HZ   LYS  23           HZ3      LYS  23  -5.415 -10.496  -8.650
  157   2HZ   LYS  23           HZ2      LYS  23  -6.419  -9.143  -8.874
  158   3HZ   LYS  23           HZ1      LYS  23  -6.120 -10.207 -10.165
  159    H    GLY  24           H        GLY  24  -6.899  -5.466  -4.625
  160   1HA   GLY  24           HA2      GLY  24  -5.975  -3.134  -6.093
  161   2HA   GLY  24           HA1      GLY  24  -7.457  -3.801  -6.775
  162    NH1  ARG  25           NH1      ARG  25 -11.906  -6.095   0.572
  163    NH2  ARG  25           NH2      ARG  25 -12.947  -7.122  -1.152
  164    H    ARG  25           H        ARG  25  -6.979  -4.121  -3.328
  165    HA   ARG  25           HA       ARG  25  -8.977  -1.925  -2.967
  166   1HB   ARG  25           HB2      ARG  25  -9.288  -3.418  -0.709
  167   2HB   ARG  25           HB1      ARG  25 -10.272  -3.610  -2.156
  168   1HG   ARG  25           HG2      ARG  25  -8.845  -5.404  -2.954
  169   2HG   ARG  25           HG1      ARG  25  -7.717  -5.149  -1.621
  170   1HD   ARG  25           HD2      ARG  25  -9.190  -7.041  -1.105
  171   2HD   ARG  25           HD1      ARG  25  -9.533  -5.701  -0.013
  172    HE   ARG  25           HE       ARG  25 -11.218  -5.725  -2.405
  173   1HH1  ARG  25          1HH1      ARG  25 -11.145  -5.552   0.924
  174   2HH1  ARG  25          2HH1      ARG  25 -12.635  -6.395   1.188
  175   1HH2  ARG  25          1HH2      ARG  25 -12.982  -7.365  -2.121
  176   2HH2  ARG  25          2HH2      ARG  25 -13.674  -7.419  -0.535
  177    H    GLY  26           H        GLY  26  -6.167  -1.457  -2.923
  178   1HA   GLY  26           HA2      GLY  26  -5.939  -0.053  -0.456
  179   2HA   GLY  26           HA1      GLY  26  -4.967  -1.494  -0.372
  180    H    LYS  27           H        LYS  27  -4.038   1.266  -0.348
  181    HA   LYS  27           HA       LYS  27  -1.843   1.076  -2.160
  182   1HB   LYS  27           HB2      LYS  27  -4.066   1.775  -3.555
  183   2HB   LYS  27           HB1      LYS  27  -3.496   3.369  -3.057
  184   1HG   LYS  27           HG2      LYS  27  -1.891   3.301  -4.629
  185   2HG   LYS  27           HG1      LYS  27  -1.235   1.831  -3.907
  186   1HD   LYS  27           HD2      LYS  27  -1.791   1.187  -6.116
  187   2HD   LYS  27           HD1      LYS  27  -3.139   0.599  -5.142
  188   1HE   LYS  27           HE2      LYS  27  -4.569   2.324  -5.853
  189   2HE   LYS  27           HE1      LYS  27  -3.230   3.344  -6.377
  190   1HZ   LYS  27           HZ1      LYS  27  -2.754   1.579  -8.073
  191   2HZ   LYS  27           HZ3      LYS  27  -4.246   0.879  -7.669
  192   3HZ   LYS  27           HZ2      LYS  27  -4.193   2.450  -8.315
  193    H    CYS  28           H        CYS  28  -0.287   2.637  -1.630
  194    HA   CYS  28           HA       CYS  28  -0.512   3.981   0.859
  195   1HB   CYS  28           HB2      CYS  28   1.400   4.054  -1.429
  196   2HB   CYS  28           HB1      CYS  28   1.475   5.377  -0.263
  197    OH   TYR  29           OH       TYR  29  -5.973   4.723  -5.177
  198    H    TYR  29           H        TYR  29  -2.523   5.250   0.756
  199    HA   TYR  29           HA       TYR  29  -2.515   7.509  -1.178
  200   1HB   TYR  29           HB2      TYR  29  -4.603   6.263   0.603
  201   2HB   TYR  29           HB1      TYR  29  -4.835   7.887  -0.046
  202    HD1  TYR  29           HD2      TYR  29  -3.769   7.849  -2.696
  203    HD2  TYR  29           HD1      TYR  29  -5.868   4.728  -0.620
  204    HE1  TYR  29           HE2      TYR  29  -4.481   6.884  -4.867
  205    HE2  TYR  29           HE1      TYR  29  -6.580   3.761  -2.791
  206    HH   TYR  29           HH       TYR  29  -6.933   4.735  -5.205
  207    H    GLY  30           H        GLY  30  -3.118   9.699  -0.232
  208   1HA   GLY  30           HA2      GLY  30  -2.379  11.451   1.169
  209   2HA   GLY  30           HA1      GLY  30  -3.046  10.433   2.444
  210    HA   PRO  31           HA       PRO  31   1.281  10.024   3.327
  211   1HB   PRO  31           HB2      PRO  31   1.129  10.592   6.010
  212   2HB   PRO  31           HB1      PRO  31   1.209  11.835   4.748
  213   1HG   PRO  31           HG2      PRO  31  -1.130  10.952   6.370
  214   2HG   PRO  31           HG1      PRO  31  -0.810  12.527   5.625
  215   1HD   PRO  31           HD2      PRO  31  -2.556  10.565   4.607
  216   2HD   PRO  31           HD1      PRO  31  -1.927  11.959   3.710
  217    H    GLN  32           H        GLN  32  -1.187   8.005   3.843
  218    HA   GLN  32           HA       GLN  32   0.548   6.027   5.194
  219   1HB   GLN  32           HB2      GLN  32  -2.243   6.704   6.169
  220   2HB   GLN  32           HB1      GLN  32  -1.239   5.384   6.773
  221   1HG   GLN  32           HG2      GLN  32   0.536   7.278   7.167
  222   2HG   GLN  32           HG1      GLN  32  -0.867   8.346   7.107
  223   1HE2  GLN  32          2HE2      GLN  32  -0.193   6.161  10.426
  224   2HE2  GLN  32          1HE2      GLN  32   0.916   6.226   9.142
  225    H    CYS  33           H        CYS  33  -0.260   3.817   4.927
  226    HA   CYS  33           HA       CYS  33  -1.536   3.447   2.320
  227   1HB   CYS  33           HB2      CYS  33   0.285   1.990   2.797
  228   2HB   CYS  33           HB1      CYS  33  -0.347   1.598   4.389
  229    H    LEU  34           H        LEU  34  -3.702   3.230   2.075
  230    HA   LEU  34           HA       LEU  34  -5.273   2.115   4.362
  231   1HB   LEU  34           HB2      LEU  34  -6.182   4.315   2.481
  232   2HB   LEU  34           HB1      LEU  34  -7.081   3.671   3.854
  233    HG   LEU  34           HG       LEU  34  -4.373   5.016   4.078
  234   1HD1  LEU  34          3HD1      LEU  34  -7.149   6.070   4.035
  235   2HD1  LEU  34          2HD1      LEU  34  -6.110   6.686   5.320
  236   3HD1  LEU  34          1HD1      LEU  34  -5.633   6.875   3.633
  237   1HD2  LEU  34          1HD2      LEU  34  -5.545   3.278   5.815
  238   2HD2  LEU  34          3HD2      LEU  34  -4.494   4.599   6.324
  239   3HD2  LEU  34          2HD2      LEU  34  -6.245   4.799   6.368
  240    H    CYS  35           H        CYS  35  -7.712   1.820   3.184
  241    HA   CYS  35           HA       CYS  35  -7.096  -0.029   0.922
  242   1HB   CYS  35           HB2      CYS  35  -9.384   0.008   2.909
  243   2HB   CYS  35           HB1      CYS  35  -9.303  -1.083   1.526
  244    NH1  ARG  36           NH1      ARG  36  -9.602   5.948  -4.402
  245    NH2  ARG  36           NH2      ARG  36 -10.662   7.240  -2.878
  246    H    ARG  36           H        ARG  36  -9.137  -0.284  -0.568
  247    HA   ARG  36           HA       ARG  36 -11.018   1.783  -0.919
  248   1HB   ARG  36           HB2      ARG  36  -8.452   2.741  -1.437
  249   2HB   ARG  36           HB1      ARG  36  -9.103   2.381  -3.037
  250   1HG   ARG  36           HG2      ARG  36 -10.751   3.883  -1.012
  251   2HG   ARG  36           HG1      ARG  36  -9.581   4.726  -2.027
  252   1HD   ARG  36           HD2      ARG  36 -10.775   3.344  -3.957
  253   2HD   ARG  36           HD1      ARG  36 -12.111   3.333  -2.807
  254    HE   ARG  36           HE       ARG  36 -12.480   5.502  -3.659
  255   1HH1  ARG  36          1HH1      ARG  36  -9.559   5.110  -4.946
  256   2HH1  ARG  36          2HH1      ARG  36  -8.879   6.634  -4.481
  257   1HH2  ARG  36          1HH2      ARG  36 -11.430   7.392  -2.257
  258   2HH2  ARG  36          2HH2      ARG  36  -9.938   7.925  -2.956
   
   
  No H/Q in entry =         258