*HEADER    TOXIN                                   27-SEP-04   1WQB              
*TITLE     THREE-DIMENSIONAL SOLUTION STRUCUTRE OF APTOTOXIN VII, FROM           
*TITLE    2 THE VENOM OF A TRAP-DOOR SPIDER                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: APTOTOXIN VII;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PARALYTIC PEPTIDE VII, PP VII;                              
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS PEPTIDE WAS CHAMICALLY SYNTHESIZED.              
*SOURCE   4 THIS SEQUENCE OCCURS NATURALLY IN APTOSTICHUS SCHLINGERI.            
*KEYWDS    TOXIN, SPIDER'S VENOM, CYSTEIN FRAMEWORK, CYSTINE KNOT MOTIF          
*EXPDTA    NMR, 18 STRUCTURES                                                    
*AUTHOR    K.KOBAYASHI, J.-I.KIM, K.SATO, T.KOHNO                                
*REVDAT   1   13-DEC-05 1WQB    0                                                

assign (resid   1 and name hb#  )  (resid   1 and name hd1  ) 2.0 0.2 4.00
assign (resid   1 and name ha   )  (resid   1 and name hb#  ) 2.0 0.2 2.50
assign (resid   1 and name ha   )  (resid   1 and name he3  ) 2.0 0.2 3.00
assign (resid   2 and name hn   )  (resid   2 and name hb#  ) 2.0 0.2 1.50
assign (resid   2 and name ha   )  (resid   2 and name hb#  ) 2.0 0.2 2.50
assign (resid   2 and name hn   )  (resid   2 and name hd## ) 2.0 0.2 5.40
assign (resid   2 and name hn   )  (resid   2 and name ha   ) 2.0 0.2 3.00
assign (resid   2 and name ha   )  (resid   2 and name hd## ) 2.0 0.2 3.90
assign (resid   3 and name hn   )  (resid   3 and name ha#  ) 2.0 0.2 2.50
assign (resid   4 and name hn   )  (resid   4 and name hb#  ) 2.0 0.2 4.00
assign (resid   4 and name ha   )  (resid   4 and name hb#  ) 2.0 0.2 2.50
assign (resid   5 and name hn   )  (resid   5 and name ha   ) 2.0 0.2 1.50
assign (resid   5 and name ha   )  (resid   5 and name hb#  ) 2.0 0.2 2.50
assign (resid   5 and name hn   )  (resid   5 and name hb#  ) 2.0 0.2 1.50
assign (resid   6 and name ha   )  (resid   6 and name hg#  ) 2.0 0.2 2.50
assign (resid   6 and name hn   )  (resid   6 and name hd#  ) 2.0 0.2 5.00
assign (resid   6 and name hn   )  (resid   6 and name he   ) 2.0 0.2 3.00
assign (resid   6 and name ha   )  (resid   6 and name hd#  ) 2.0 0.2 5.00
assign (resid   6 and name hn   )  (resid   6 and name hb#  ) 2.0 0.2 2.50
assign (resid   6 and name ha   )  (resid   6 and name hb#  ) 2.0 0.2 2.50
assign (resid   6 and name hn   )  (resid   6 and name hg#  ) 2.0 0.2 2.50
assign (resid   6 and name hb#  )  (resid   6 and name hg#  ) 2.0 0.2 3.50
assign (resid   6 and name hb#  )  (resid   6 and name hd#  ) 2.0 0.2 4.50
assign (resid   6 and name hb#  )  (resid   6 and name he   ) 2.0 0.2 4.00
assign (resid   6 and name hn   )  (resid   6 and name ha   ) 2.0 0.2 1.50
assign (resid   7 and name hn   )  (resid   7 and name hg## ) 2.0 0.2 3.90
assign (resid   7 and name hb   )  (resid   7 and name hg## ) 2.0 0.2 3.90
assign (resid   7 and name ha   )  (resid   7 and name hb   ) 2.0 0.2 1.50
assign (resid   7 and name ha   )  (resid   7 and name hg## ) 2.0 0.2 3.90
assign (resid   7 and name hn   )  (resid   7 and name ha   ) 2.0 0.2 1.50
assign (resid   8 and name hn   )  (resid   8 and name ha   ) 2.0 0.2 0.50
assign (resid   8 and name hb#  )  (resid   8 and name he#  ) 2.0 0.2 6.00
assign (resid   8 and name ha   )  (resid   8 and name hb#  ) 2.0 0.2 2.50
assign (resid   8 and name hb#  )  (resid   8 and name hg#  ) 2.0 0.2 3.50
assign (resid   8 and name hn   )  (resid   8 and name hg#  ) 2.0 0.2 2.50
assign (resid   8 and name hn   )  (resid   8 and name hb#  ) 2.0 0.2 4.00
assign (resid   8 and name ha   )  (resid   8 and name hg#  ) 2.0 0.2 2.50
assign (resid   8 and name hn   )  (resid   8 and name hd#  ) 2.0 0.2 5.00
assign (resid   9 and name hn   )  (resid   9 and name hg#  ) 2.0 0.2 2.50
assign (resid   9 and name ha   )  (resid   9 and name hg#  ) 2.0 0.2 2.50
assign (resid   9 and name ha   )  (resid   9 and name hb#  ) 2.0 0.2 2.50
assign (resid   9 and name hb#  )  (resid   9 and name hg#  ) 2.0 0.2 3.50
assign (resid   9 and name hn   )  (resid   9 and name hb#  ) 2.0 0.2 2.50
assign (resid   9 and name hn   )  (resid   9 and name ha   ) 2.0 0.2 1.50
assign (resid  10 and name ha   )  (resid  10 and name hb#  ) 2.0 0.2 2.50
assign (resid  10 and name hn   )  (resid  10 and name hb#  ) 2.0 0.2 1.50
assign (resid  10 and name hn   )  (resid  10 and name ha   ) 2.0 0.2 1.50
assign (resid  11 and name hn   )  (resid  11 and name hb#  ) 2.0 0.2 4.00
assign (resid  11 and name ha   )  (resid  11 and name hb#  ) 2.0 0.2 2.50
assign (resid  11 and name hn   )  (resid  11 and name ha   ) 2.0 0.2 3.00
assign (resid  12 and name hn   )  (resid  12 and name ha#  ) 2.0 0.2 2.50
assign (resid  13 and name hb#  )  (resid  13 and name hd#  ) 2.0 0.2 5.00
assign (resid  13 and name ha   )  (resid  13 and name hg#  ) 2.0 0.2 4.00
assign (resid  13 and name hb#  )  (resid  13 and name hg#  ) 2.0 0.2 3.50
assign (resid  13 and name ha   )  (resid  13 and name hb#  ) 2.0 0.2 2.50
assign (resid  13 and name ha   )  (resid  13 and name hd#  ) 2.0 0.2 4.00
assign (resid  14 and name hn   )  (resid  14 and name ha   ) 2.0 0.2 3.00
assign (resid  14 and name hn   )  (resid  14 and name hb#  ) 2.0 0.2 4.00
assign (resid  14 and name ha   )  (resid  14 and name hb#  ) 2.0 0.2 4.00
assign (resid  14 and name ha   )  (resid  14 and name he3  ) 2.0 0.2 3.00
assign (resid  14 and name hb#  )  (resid  14 and name hd1  ) 2.0 0.2 4.00
assign (resid  15 and name hn   )  (resid  15 and name hb#  ) 2.0 0.2 2.50
assign (resid  15 and name hn   )  (resid  15 and name ha   ) 2.0 0.2 1.50
assign (resid  15 and name ha   )  (resid  15 and name hg#  ) 2.0 0.2 2.50
assign (resid  15 and name ha   )  (resid  15 and name hb#  ) 2.0 0.2 2.50
assign (resid  15 and name hn   )  (resid  15 and name hg#  ) 2.0 0.2 2.50
assign (resid  16 and name hn   )  (resid  16 and name hb#  ) 2.0 0.2 2.50
assign (resid  16 and name ha   )  (resid  16 and name he3  ) 2.0 0.2 3.00
assign (resid  16 and name ha   )  (resid  16 and name hd1  ) 2.0 0.2 3.00
assign (resid  16 and name hn   )  (resid  16 and name hd1  ) 2.0 0.2 3.00
assign (resid  16 and name hb#  )  (resid  16 and name hd1  ) 2.0 0.2 4.00
assign (resid  16 and name hn   )  (resid  16 and name ha   ) 2.0 0.2 1.50
assign (resid  16 and name ha   )  (resid  16 and name hb#  ) 2.0 0.2 2.50
assign (resid  16 and name hb#  )  (resid  16 and name he3  ) 2.0 0.2 4.00
assign (resid  17 and name hb#  )  (resid  17 and name hd#  ) 2.0 0.2 3.50
assign (resid  17 and name ha   )  (resid  17 and name hd#  ) 2.0 0.2 4.00
assign (resid  17 and name ha   )  (resid  17 and name hb#  ) 2.0 0.2 2.50
assign (resid  17 and name ha   )  (resid  17 and name hg#  ) 2.0 0.2 4.00
assign (resid  17 and name hb#  )  (resid  17 and name hg#  ) 2.0 0.2 3.50
assign (resid  18 and name hn   )  (resid  18 and name hb#  ) 2.0 0.2 2.50
assign (resid  18 and name hn   )  (resid  18 and name ha   ) 2.0 0.2 1.50
assign (resid  18 and name ha   )  (resid  18 and name hb#  ) 2.0 0.2 2.50
assign (resid  19 and name hn   )  (resid  19 and name ha   ) 2.0 0.2 1.50
assign (resid  19 and name hn   )  (resid  19 and name hb#  ) 2.0 0.2 2.50
assign (resid  19 and name ha   )  (resid  19 and name hb#  ) 2.0 0.2 2.50
assign (resid  20 and name hn   )  (resid  20 and name ha   ) 2.0 0.2 1.50
assign (resid  20 and name ha   )  (resid  20 and name hb#  ) 2.0 0.2 2.50
assign (resid  20 and name hn   )  (resid  20 and name hb#  ) 2.0 0.2 1.50
assign (resid  21 and name hn   )  (resid  21 and name ha#  ) 2.0 0.2 2.50
assign (resid  22 and name hn   )  (resid  22 and name hg   ) 2.0 0.2 1.50
assign (resid  22 and name hb#  )  (resid  22 and name hd## ) 2.0 0.2 4.90
assign (resid  22 and name ha   )  (resid  22 and name hd## ) 2.0 0.2 3.90
assign (resid  22 and name ha   )  (resid  22 and name hb#  ) 2.0 0.2 2.50
assign (resid  22 and name hn   )  (resid  22 and name hd## ) 2.0 0.2 5.40
assign (resid  22 and name hn   )  (resid  22 and name hb#  ) 2.0 0.2 2.50
assign (resid  22 and name ha   )  (resid  22 and name hg   ) 2.0 0.2 3.00
assign (resid  22 and name hb#  )  (resid  22 and name hg   ) 2.0 0.2 2.50
assign (resid  23 and name hn   )  (resid  23 and name hb#  ) 2.0 0.2 2.50
assign (resid  23 and name hn   )  (resid  23 and name ha   ) 2.0 0.2 1.50
assign (resid  23 and name ha   )  (resid  23 and name hg#  ) 2.0 0.2 4.00
assign (resid  23 and name hn   )  (resid  23 and name hg#  ) 2.0 0.2 2.50
assign (resid  23 and name ha   )  (resid  23 and name hb#  ) 2.0 0.2 2.50
assign (resid  24 and name hn   )  (resid  24 and name hb#  ) 2.0 0.2 2.50
assign (resid  24 and name ha   )  (resid  24 and name hb#  ) 2.0 0.2 4.00
assign (resid  24 and name hn   )  (resid  24 and name ha   ) 2.0 0.2 3.00
assign (resid  25 and name hn   )  (resid  25 and name ha   ) 2.0 0.2 1.50
assign (resid  25 and name ha   )  (resid  25 and name hb#  ) 2.0 0.2 2.50
assign (resid  25 and name hn   )  (resid  25 and name hb#  ) 2.0 0.2 2.50
assign (resid  26 and name hn   )  (resid  26 and name ha#  ) 2.0 0.2 2.50
assign (resid  27 and name hn   )  (resid  27 and name ha   ) 2.0 0.2 1.50
assign (resid  27 and name ha   )  (resid  27 and name hb#  ) 2.0 0.2 2.50
assign (resid  27 and name hn   )  (resid  27 and name hb#  ) 2.0 0.2 2.50
assign (resid  28 and name ha   )  (resid  28 and name hg#  ) 2.0 0.2 2.50
assign (resid  28 and name hn   )  (resid  28 and name hg#  ) 2.0 0.2 2.50
assign (resid  28 and name ha   )  (resid  28 and name hb#  ) 2.0 0.2 2.50
assign (resid  28 and name hn   )  (resid  28 and name ha   ) 2.0 0.2 1.50
assign (resid  28 and name hn   )  (resid  28 and name hb#  ) 2.0 0.2 4.00
assign (resid  29 and name hn   )  (resid  29 and name hb#  ) 2.0 0.2 2.50
assign (resid  29 and name hn   )  (resid  29 and name ha   ) 2.0 0.2 1.50
assign (resid  29 and name ha   )  (resid  29 and name hb#  ) 2.0 0.2 2.50
assign (resid  30 and name ha   )  (resid  30 and name hd2  ) 2.0 0.2 3.00
assign (resid  30 and name hn   )  (resid  30 and name hb#  ) 2.0 0.2 2.50
assign (resid  30 and name hb#  )  (resid  30 and name hd2  ) 2.0 0.2 2.50
assign (resid  30 and name hn   )  (resid  30 and name ha   ) 2.0 0.2 1.50
assign (resid  30 and name hn   )  (resid  30 and name hd2  ) 2.0 0.2 3.00
assign (resid  30 and name ha   )  (resid  30 and name hb#  ) 2.0 0.2 2.50
assign (resid  31 and name hb#  )  (resid  31 and name hg#  ) 2.0 0.2 3.50
assign (resid  31 and name ha   )  (resid  31 and name hg#  ) 2.0 0.2 4.00
assign (resid  31 and name hb#  )  (resid  31 and name hd#  ) 2.0 0.2 5.00
assign (resid  31 and name ha   )  (resid  31 and name hb#  ) 2.0 0.2 2.50
assign (resid  32 and name hn   )  (resid  32 and name hb#  ) 2.0 0.2 2.50
assign (resid  32 and name hn   )  (resid  32 and name ha   ) 2.0 0.2 1.50
assign (resid  32 and name hn   )  (resid  32 and name hg#  ) 2.0 0.2 4.00
assign (resid  32 and name ha   )  (resid  32 and name hg#  ) 2.0 0.2 4.00
assign (resid  32 and name ha   )  (resid  32 and name hb#  ) 2.0 0.2 2.50
assign (resid   1 and name ha   )  (resid   2 and name hn   ) 2.0 0.2 0.50
assign (resid   1 and name hb#  )  (resid   2 and name hn   ) 2.0 0.2 4.00
assign (resid   2 and name hb#  )  (resid   3 and name hn   ) 2.0 0.2 2.50
assign (resid   2 and name ha   )  (resid   3 and name hn   ) 2.0 0.2 1.50
assign (resid   2 and name hn   )  (resid   3 and name hn   ) 2.0 0.2 3.00
assign (resid   2 and name hd## )  (resid   3 and name hn   ) 2.0 0.2 5.40
assign (resid   3 and name ha#  )  (resid   4 and name hn   ) 2.0 0.2 2.50
assign (resid   4 and name hn   )  (resid   5 and name ha   ) 2.0 0.2 3.00
assign (resid   4 and name hb#  )  (resid   5 and name hn   ) 2.0 0.2 2.50
assign (resid   4 and name hb#  )  (resid   5 and name hb#  ) 2.0 0.2 5.00
assign (resid   5 and name hn   )  (resid   6 and name hn   ) 2.0 0.2 3.00
assign (resid   5 and name hb#  )  (resid   6 and name hn   ) 2.0 0.2 2.50
assign (resid   5 and name ha   )  (resid   6 and name hn   ) 2.0 0.2 1.50
assign (resid   5 and name hb#  )  (resid   6 and name ha   ) 2.0 0.2 4.00
assign (resid   5 and name ha   )  (resid   6 and name he   ) 2.0 0.2 3.00
assign (resid   5 and name ha   )  (resid   6 and name hb#  ) 2.0 0.2 4.00
assign (resid   5 and name ha   )  (resid   6 and name hg#  ) 2.0 0.2 4.00
assign (resid   6 and name hb#  )  (resid   7 and name hg## ) 2.0 0.2 3.90
assign (resid   6 and name hn   )  (resid   7 and name hg## ) 2.0 0.2 5.40
assign (resid   6 and name hg#  )  (resid   7 and name hn   ) 2.0 0.2 4.00
assign (resid   6 and name ha   )  (resid   7 and name ha   ) 2.0 0.2 3.00
assign (resid   6 and name ha   )  (resid   7 and name hg## ) 2.0 0.2 5.40
assign (resid   6 and name hb#  )  (resid   7 and name hn   ) 2.0 0.2 1.50
assign (resid   6 and name ha   )  (resid   7 and name hn   ) 2.0 0.2 1.50
assign (resid   7 and name hg## )  (resid   8 and name ha   ) 2.0 0.2 5.40
assign (resid   7 and name ha   )  (resid   8 and name hg#  ) 2.0 0.2 4.00
assign (resid   7 and name ha   )  (resid   8 and name hn   ) 2.0 0.2 1.50
assign (resid   7 and name hn   )  (resid   8 and name hn   ) 2.0 0.2 1.50
assign (resid   7 and name hg## )  (resid   8 and name hn   ) 2.0 0.2 3.90
assign (resid   7 and name hg## )  (resid   8 and name hb#  ) 2.0 0.2 6.40
assign (resid   8 and name ha   )  (resid   9 and name hn   ) 2.0 0.2 1.50
assign (resid   8 and name hn   )  (resid   9 and name hn   ) 2.0 0.2 1.50
assign (resid   9 and name ha   )  (resid  10 and name hb#  ) 2.0 0.2 2.50
assign (resid   9 and name ha   )  (resid  10 and name hn   ) 2.0 0.2 0.50
assign (resid   9 and name hg#  )  (resid  10 and name hn   ) 2.0 0.2 4.00
assign (resid   9 and name hb#  )  (resid  10 and name hn   ) 2.0 0.2 2.50
assign (resid  10 and name hn   )  (resid  11 and name hn   ) 2.0 0.2 3.00
assign (resid  10 and name ha   )  (resid  11 and name hn   ) 2.0 0.2 1.50
assign (resid  10 and name hb#  )  (resid  11 and name hn   ) 2.0 0.2 2.50
assign (resid  11 and name hb#  )  (resid  12 and name ha#  ) 2.0 0.2 5.00
assign (resid  11 and name hb#  )  (resid  12 and name hn   ) 2.0 0.2 2.50
assign (resid  11 and name ha   )  (resid  12 and name hn   ) 2.0 0.2 1.50
assign (resid  12 and name ha#  )  (resid  13 and name hd#  ) 2.0 0.2 3.50
assign (resid  13 and name hd#  )  (resid  14 and name hn   ) 2.0 0.2 4.00
assign (resid  13 and name hb#  )  (resid  14 and name hd1  ) 2.0 0.2 4.00
assign (resid  13 and name ha   )  (resid  14 and name hn   ) 2.0 0.2 1.50
assign (resid  13 and name hb#  )  (resid  14 and name hn   ) 2.0 0.2 4.00
assign (resid  14 and name hn   )  (resid  15 and name hn   ) 2.0 0.2 1.50
assign (resid  14 and name ha   )  (resid  15 and name hn   ) 2.0 0.2 3.00
assign (resid  15 and name hn   )  (resid  16 and name hn   ) 2.0 0.2 3.00
assign (resid  15 and name hg#  )  (resid  16 and name hn   ) 2.0 0.2 2.50
assign (resid  15 and name hb#  )  (resid  16 and name hn   ) 2.0 0.2 2.50
assign (resid  15 and name ha   )  (resid  16 and name hn   ) 2.0 0.2 1.50
assign (resid  16 and name hb#  )  (resid  17 and name hd#  ) 2.0 0.2 5.00
assign (resid  16 and name hn   )  (resid  17 and name hd#  ) 2.0 0.2 4.00
assign (resid  16 and name ha   )  (resid  17 and name hg#  ) 2.0 0.2 4.00
assign (resid  16 and name ha   )  (resid  17 and name hd#  ) 2.0 0.2 2.50
assign (resid  16 and name ha   )  (resid  17 and name hb#  ) 2.0 0.2 4.00
assign (resid  17 and name ha   )  (resid  18 and name hn   ) 2.0 0.2 1.50
assign (resid  17 and name hb#  )  (resid  18 and name hn   ) 2.0 0.2 2.50
assign (resid  18 and name hb#  )  (resid  19 and name hn   ) 2.0 0.2 2.50
assign (resid  18 and name hn   )  (resid  19 and name hn   ) 2.0 0.2 3.00
assign (resid  18 and name ha   )  (resid  19 and name hn   ) 2.0 0.2 0.50
assign (resid  19 and name hb#  )  (resid  20 and name hn   ) 2.0 0.2 1.50
assign (resid  19 and name hb#  )  (resid  20 and name hb#  ) 2.0 0.2 5.00
assign (resid  19 and name ha   )  (resid  20 and name hb#  ) 2.0 0.2 4.00
assign (resid  19 and name ha   )  (resid  20 and name ha   ) 2.0 0.2 3.00
assign (resid  19 and name hn   )  (resid  20 and name hn   ) 2.0 0.2 3.00
assign (resid  19 and name ha   )  (resid  20 and name hn   ) 2.0 0.2 1.50
assign (resid  20 and name hn   )  (resid  21 and name hn   ) 2.0 0.2 3.00
assign (resid  20 and name ha   )  (resid  21 and name hn   ) 2.0 0.2 1.50
assign (resid  20 and name ha   )  (resid  21 and name ha#  ) 2.0 0.2 4.00
assign (resid  20 and name hb#  )  (resid  21 and name hn   ) 2.0 0.2 2.50
assign (resid  21 and name hn   )  (resid  22 and name hn   ) 2.0 0.2 1.50
assign (resid  21 and name ha#  )  (resid  22 and name hg   ) 2.0 0.2 4.00
assign (resid  21 and name ha#  )  (resid  22 and name hn   ) 2.0 0.2 4.00
assign (resid  22 and name hb#  )  (resid  23 and name hn   ) 2.0 0.2 2.50
assign (resid  22 and name hd## )  (resid  23 and name hn   ) 2.0 0.2 5.40
assign (resid  22 and name hn   )  (resid  23 and name hn   ) 2.0 0.2 3.00
assign (resid  22 and name ha   )  (resid  23 and name hn   ) 2.0 0.2 0.50
assign (resid  23 and name hb#  )  (resid  24 and name hn   ) 2.0 0.2 2.50
assign (resid  23 and name ha   )  (resid  24 and name hb#  ) 2.0 0.2 4.00
assign (resid  23 and name hg#  )  (resid  24 and name hn   ) 2.0 0.2 4.00
assign (resid  23 and name hg#  )  (resid  24 and name hb#  ) 2.0 0.2 5.00
assign (resid  23 and name ha   )  (resid  24 and name hn   ) 2.0 0.2 1.50
assign (resid  24 and name ha   )  (resid  25 and name hn   ) 2.0 0.2 1.50
assign (resid  25 and name hb#  )  (resid  26 and name hn   ) 2.0 0.2 4.00
assign (resid  25 and name ha   )  (resid  26 and name hn   ) 2.0 0.2 1.50
assign (resid  26 and name ha#  )  (resid  27 and name hn   ) 2.0 0.2 2.50
assign (resid  26 and name hn   )  (resid  27 and name hn   ) 2.0 0.2 1.50
assign (resid  27 and name hb#  )  (resid  28 and name hn   ) 2.0 0.2 4.00
assign (resid  27 and name ha   )  (resid  28 and name ha   ) 2.0 0.2 3.00
assign (resid  27 and name ha   )  (resid  28 and name hn   ) 2.0 0.2 1.50
assign (resid  27 and name hn   )  (resid  28 and name hn   ) 2.0 0.2 1.50
assign (resid  27 and name hb#  )  (resid  28 and name ha   ) 2.0 0.2 4.00
assign (resid  27 and name hb#  )  (resid  28 and name hg#  ) 2.0 0.2 5.00
assign (resid  28 and name hg#  )  (resid  29 and name hn   ) 2.0 0.2 4.00
assign (resid  28 and name hb#  )  (resid  29 and name hn   ) 2.0 0.2 2.50
assign (resid  28 and name ha   )  (resid  29 and name hn   ) 2.0 0.2 1.50
assign (resid  29 and name ha   )  (resid  30 and name hd2  ) 2.0 0.2 3.00
assign (resid  29 and name hn   )  (resid  30 and name hn   ) 2.0 0.2 3.00
assign (resid  29 and name hb#  )  (resid  30 and name hn   ) 2.0 0.2 4.00
assign (resid  29 and name ha   )  (resid  30 and name hn   ) 2.0 0.2 0.50
assign (resid  30 and name ha   )  (resid  31 and name hd#  ) 2.0 0.2 1.50
assign (resid  30 and name ha   )  (resid  31 and name hb#  ) 2.0 0.2 4.00
assign (resid  30 and name ha   )  (resid  31 and name hg#  ) 2.0 0.2 4.00
assign (resid  30 and name hb#  )  (resid  31 and name hd#  ) 2.0 0.2 3.50
assign (resid  31 and name hd#  )  (resid  32 and name hn   ) 2.0 0.2 4.00
assign (resid  31 and name hb#  )  (resid  32 and name hn   ) 2.0 0.2 2.50
assign (resid  31 and name ha   )  (resid  32 and name hn   ) 2.0 0.2 1.50
assign (resid  31 and name ha   )  (resid  32 and name ha   ) 2.0 0.2 3.00
assign (resid   1 and name hb#  )  (resid   3 and name hn   ) 2.0 0.2 4.00
assign (resid   2 and name hb#  )  (resid   4 and name hn   ) 2.0 0.2 4.00
assign (resid   4 and name hb#  )  (resid   6 and name hg#  ) 2.0 0.2 5.00
assign (resid   5 and name hb#  )  (resid   9 and name hb#  ) 2.0 0.2 3.50
assign (resid   6 and name hb#  )  (resid   8 and name hn   ) 2.0 0.2 2.50
assign (resid   6 and name hn   )  (resid   9 and name hb#  ) 2.0 0.2 2.50
assign (resid  11 and name ha   )  (resid  15 and name hg#  ) 2.0 0.2 4.00
assign (resid  11 and name ha   )  (resid  15 and name hb#  ) 2.0 0.2 4.00
assign (resid  12 and name hn   )  (resid  15 and name hb#  ) 2.0 0.2 2.50
assign (resid  12 and name hn   )  (resid  15 and name hn   ) 2.0 0.2 3.00
assign (resid  12 and name hn   )  (resid  15 and name hg#  ) 2.0 0.2 4.00
assign (resid  13 and name ha   )  (resid  15 and name hn   ) 2.0 0.2 3.00
assign (resid  18 and name hb#  )  (resid  22 and name hb#  ) 2.0 0.2 3.50
assign (resid  18 and name hb#  )  (resid  22 and name hd## ) 2.0 0.2 4.90
assign (resid  18 and name hb#  )  (resid  22 and name hn   ) 2.0 0.2 4.00
assign (resid  19 and name hn   )  (resid  22 and name hd## ) 2.0 0.2 3.90
assign (resid  19 and name ha   )  (resid  22 and name hd## ) 2.0 0.2 5.40
assign (resid  19 and name hb2  )  (resid  22 and name hd## ) 2.0 0.2 3.90
assign (resid  19 and name hn   )  (resid  22 and name hb#  ) 2.0 0.2 4.00
assign (resid  20 and name ha   )  (resid  22 and name hn   ) 2.0 0.2 1.50
assign (resid  20 and name hn   )  (resid  22 and name hd## ) 2.0 0.2 5.40
assign (resid  23 and name hg#  )  (resid  25 and name hb#  ) 2.0 0.2 5.00
assign (resid  25 and name ha   )  (resid  27 and name hn   ) 2.0 0.2 3.00
assign (resid  25 and name hn   )  (resid  28 and name hn   ) 2.0 0.2 3.00
assign (resid  25 and name hn   )  (resid  29 and name ha   ) 2.0 0.2 3.00
assign (resid  26 and name hn   )  (resid  28 and name hn   ) 2.0 0.2 3.00
assign (resid  28 and name hn   )  (resid  30 and name hd2  ) 2.0 0.2 3.00
assign (resid  28 and name hb#  )  (resid  30 and name he1  ) 2.0 0.2 4.00
assign (resid  28 and name hb#  )  (resid  30 and name hd2  ) 2.0 0.2 4.00
assign (resid   4 and name hb#  )  (resid  18 and name ha   ) 2.0 0.2 4.00
assign (resid   4 and name hb#  )  (resid  19 and name hn   ) 2.0 0.2 2.50
assign (resid   4 and name hb#  )  (resid  17 and name hb#  ) 2.0 0.2 5.00
assign (resid   4 and name hb#  )  (resid  17 and name hg#  ) 2.0 0.2 5.00
assign (resid   4 and name hb#  )  (resid  19 and name ha   ) 2.0 0.2 2.50
assign (resid   4 and name hb#  )  (resid  20 and name hn   ) 2.0 0.2 4.00
assign (resid   4 and name ha   )  (resid  19 and name ha   ) 2.0 0.2 3.00
assign (resid   4 and name hb#  )  (resid  19 and name hb#  ) 2.0 0.2 5.00
assign (resid   5 and name hb#  )  (resid  18 and name hn   ) 2.0 0.2 4.00
assign (resid   5 and name hb#  )  (resid  11 and name hb#  ) 2.0 0.2 3.50
assign (resid   5 and name hb#  )  (resid  18 and name ha   ) 2.0 0.2 2.50
assign (resid   5 and name hb#  )  (resid  16 and name hd1  ) 2.0 0.2 4.00
assign (resid   5 and name hn   )  (resid  19 and name hn   ) 2.0 0.2 1.50
assign (resid   5 and name ha   )  (resid  11 and name hb#  ) 2.0 0.2 4.00
assign (resid   5 and name hb#  )  (resid  16 and name hb#  ) 2.0 0.2 3.50
assign (resid   5 and name hb#  )  (resid  19 and name hn   ) 2.0 0.2 2.50
assign (resid   5 and name hn   )  (resid  18 and name ha   ) 2.0 0.2 1.50
assign (resid   6 and name ha   )  (resid  19 and name hb#  ) 2.0 0.2 4.00
assign (resid   6 and name ha   )  (resid  22 and name hd## ) 2.0 0.2 3.90
assign (resid   6 and name hn   )  (resid  22 and name hd## ) 2.0 0.2 5.40
assign (resid   6 and name ha   )  (resid  19 and name hn   ) 2.0 0.2 3.00
assign (resid   7 and name ha   )  (resid  29 and name hn   ) 2.0 0.2 3.00
assign (resid   7 and name ha   )  (resid  29 and name ha   ) 2.0 0.2 3.00
assign (resid   7 and name ha   )  (resid  22 and name hd## ) 2.0 0.2 3.90
assign (resid   7 and name ha   )  (resid  29 and name hb#  ) 2.0 0.2 2.50
assign (resid   7 and name hg## )  (resid  31 and name hb#  ) 2.0 0.2 6.40
assign (resid   7 and name hg## )  (resid  29 and name hb#  ) 2.0 0.2 4.90
assign (resid   7 and name hn   )  (resid  22 and name hd## ) 2.0 0.2 3.90
assign (resid   7 and name hg## )  (resid  31 and name ha   ) 2.0 0.2 5.40
assign (resid   7 and name hg## )  (resid  32 and name hn   ) 2.0 0.2 5.40
assign (resid   7 and name hg## )  (resid  30 and name ha   ) 2.0 0.2 3.90
assign (resid   8 and name ha   )  (resid  28 and name ha   ) 2.0 0.2 3.00
assign (resid   8 and name ha   )  (resid  28 and name hb#  ) 2.0 0.2 2.50
assign (resid   8 and name hn   )  (resid  29 and name hb#  ) 2.0 0.2 4.00
assign (resid   8 and name hn   )  (resid  22 and name hd## ) 2.0 0.2 5.40
assign (resid   8 and name hn   )  (resid  29 and name hn   ) 2.0 0.2 3.00
assign (resid   8 and name ha   )  (resid  29 and name hn   ) 2.0 0.2 3.00
assign (resid   9 and name hn   )  (resid  29 and name hn   ) 2.0 0.2 3.00
assign (resid   9 and name hn   )  (resid  28 and name ha   ) 2.0 0.2 3.00
assign (resid   9 and name hn   )  (resid  29 and name hb#  ) 2.0 0.2 4.00
assign (resid  10 and name hn   )  (resid  28 and name ha   ) 2.0 0.2 3.00
assign (resid  10 and name ha   )  (resid  28 and name ha   ) 2.0 0.2 1.50
assign (resid  10 and name hb#  )  (resid  27 and name hb#  ) 2.0 0.2 5.00
assign (resid  10 and name ha   )  (resid  29 and name hn   ) 2.0 0.2 3.00
assign (resid  10 and name ha   )  (resid  28 and name hg#  ) 2.0 0.2 4.00
assign (resid  10 and name hb#  )  (resid  28 and name ha   ) 2.0 0.2 4.00
assign (resid  11 and name hn   )  (resid  27 and name hb#  ) 2.0 0.2 4.00
assign (resid  11 and name hn   )  (resid  28 and name hg#  ) 2.0 0.2 4.00
assign (resid  11 and name hn   )  (resid  27 and name ha   ) 2.0 0.2 3.00
assign (resid  11 and name hn   )  (resid  28 and name ha   ) 2.0 0.2 1.50
assign (resid  11 and name hb#  )  (resid  18 and name hn   ) 2.0 0.2 4.00
assign (resid  11 and name hb#  )  (resid  28 and name ha   ) 2.0 0.2 4.00
assign (resid  11 and name hb#  )  (resid  17 and name ha   ) 2.0 0.2 4.00
assign (resid  11 and name hn   )  (resid  29 and name hn   ) 2.0 0.2 3.00
assign (resid  22 and name hd## )  (resid  31 and name hb#  ) 2.0 0.2 4.90
assign (resid  22 and name hb#  )  (resid  29 and name hb#  ) 2.0 0.2 3.50
assign (resid  22 and name hg   )  (resid  31 and name ha   ) 2.0 0.2 3.00
assign (resid  22 and name hd## )  (resid  29 and name hb#  ) 2.0 0.2 4.90
assign (resid  22 and name hd## )  (resid  29 and name ha   ) 2.0 0.2 3.90
assign (resid  22 and name hd## )  (resid  30 and name ha   ) 2.0 0.2 5.40
assign (resid  22 and name hd## )  (resid  31 and name ha   ) 2.0 0.2 3.90
assign (resid  22 and name ha   )  (resid  32 and name hn   ) 2.0 0.2 1.50
assign (resid  22 and name ha   )  (resid  31 and name hd#  ) 2.0 0.2 4.00
assign (resid  22 and name hd## )  (resid  30 and name hn   ) 2.0 0.2 5.40
assign (resid  22 and name hd## )  (resid  32 and name hn   ) 2.0 0.2 3.90
assign (resid  22 and name ha   )  (resid  31 and name ha   ) 2.0 0.2 1.50
assign (resid  22 and name ha   )  (resid  31 and name hb#  ) 2.0 0.2 4.00
assign (resid  22 and name ha   )  (resid  32 and name ha   ) 2.0 0.2 3.00
assign (resid  22 and name hb#  )  (resid  30 and name hn   ) 2.0 0.2 4.00
assign (resid  22 and name ha   )  (resid  32 and name hb#  ) 2.0 0.2 4.00
assign (resid  23 and name hn   )  (resid  30 and name hn   ) 2.0 0.2 1.50
assign (resid  23 and name hb#  )  (resid  30 and name hn   ) 2.0 0.2 4.00
assign (resid  23 and name hg#  )  (resid  32 and name ha   ) 2.0 0.2 4.00
assign (resid  23 and name hn   )  (resid  29 and name hb#  ) 2.0 0.2 4.00
assign (resid  23 and name hn   )  (resid  32 and name hn   ) 2.0 0.2 3.00
assign (resid  24 and name ha   )  (resid  29 and name ha   ) 2.0 0.2 1.50
assign (resid  24 and name ha   )  (resid  30 and name hn   ) 2.0 0.2 3.00
assign (resid  25 and name hb#  )  (resid  30 and name hd2  ) 2.0 0.2 2.50
assign (resid  25 and name hn   )  (resid  30 and name hb#  ) 2.0 0.2 4.00
assign (resid  25 and name hb#  )  (resid  30 and name hb#  ) 2.0 0.2 5.00
assign (resid  25 and name hn   )  (resid  30 and name hn   ) 2.0 0.2 3.00
assign (resid  25 and name hn   )  (resid  30 and name hd2  ) 2.0 0.2 3.00
assign (resid  25 and name hn   )  (resid  30 and name ha   ) 2.0 0.2 3.00
assign (resid   4 and name sg  )  (resid  19 and name sg  ) 2.02 0.02 0.02 
assign (resid   4 and name cb  )  (resid  19 and name sg  ) 2.99 0.50 0.50 
assign (resid   4 and name sg  )  (resid  19 and name cb  ) 2.99 0.50 0.50 
assign (resid  11 and name sg  )  (resid  24 and name sg  ) 2.02 0.02 0.02 
assign (resid  11 and name cb  )  (resid  24 and name sg  ) 2.99 0.50 0.50 
assign (resid  11 and name sg  )  (resid  24 and name cb  ) 2.99 0.50 0.50 
assign (resid  18 and name sg  )  (resid  29 and name sg  ) 2.02 0.02 0.02 
assign (resid  18 and name cb  )  (resid  29 and name sg  ) 2.99 0.50 0.50 
assign (resid  18 and name sg  )  (resid  29 and name cb  ) 2.99 0.50 0.50 
assign (resid   9 and name o   )  (resid  29 and name hn  ) 2.00 0.30 0.30
assign (resid   9 and name o   )  (resid  29 and name n  ) 2.70 0.30 0.60
assign (resid  27 and name o   )  (resid  11 and name hn  ) 2.00 0.30 0.30
assign (resid  27 and name o   )  (resid  11 and name n  ) 2.70 0.30 0.60
assign (resid  23 and name o   )  (resid  30 and name hn  ) 2.00 0.30 0.30
assign (resid  23 and name o   )  (resid  30 and name n  ) 2.70 0.30 0.60



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    TRP   1           HT1      TRP   1  -8.317   8.370 -10.113
    2   2H    TRP   1           HT2      TRP   1  -9.474   7.527 -11.028
    3   3H    TRP   1           HT3      TRP   1  -8.628   8.832 -11.715
    4    HA   TRP   1           HA       TRP   1  -7.563   6.149 -11.012
    5   1HB   TRP   1          HB2       TRP   1  -7.436   7.724 -13.590
    6   2HB   TRP   1          HB1       TRP   1  -7.277   5.982 -13.367
    7    HD1  TRP   1           HD1      TRP   1  -9.701   8.466 -14.433
    8    HE1  TRP   1           HE1      TRP   1 -12.103   7.533 -14.366
    9    HE3  TRP   1           HE3      TRP   1  -8.936   4.256 -11.648
   10    HZ2  TRP   1           HZ2      TRP   1 -13.513   5.298 -13.277
   11    HZ3  TRP   1           HZ3      TRP   1 -10.823   2.744 -11.111
   12    HH2  TRP   1           HH2      TRP   1 -13.110   3.259 -11.920
   13    H    LEU   2           HN       LEU   2  -5.975   7.027  -9.494
   14    HA   LEU   2           HA       LEU   2  -4.009   8.959 -10.621
   15   1HB   LEU   2          HB2       LEU   2  -4.703   7.897  -7.882
   16   2HB   LEU   2          HB1       LEU   2  -3.233   8.833  -8.159
   17    HG   LEU   2           HG       LEU   2  -5.855   9.890  -9.170
   18   1HD1  LEU   2          HD11      LEU   2  -5.244  11.039  -6.621
   19   2HD1  LEU   2          HD12      LEU   2  -5.332   9.289  -6.428
   20   3HD1  LEU   2          HD13      LEU   2  -6.701  10.172  -7.106
   21   1HD2  LEU   2          HD21      LEU   2  -4.376  11.494  -9.775
   22   2HD2  LEU   2          HD22      LEU   2  -3.105  10.801  -8.766
   23   3HD2  LEU   2          HD23      LEU   2  -4.284  11.909  -8.063
   24    H    GLY   3           HN       GLY   3  -3.908   5.933  -8.713
   25   1HA   GLY   3          HA2       GLY   3  -2.254   4.446 -10.421
   26   2HA   GLY   3          HA1       GLY   3  -1.160   5.387  -9.407
   27    H    CYS   4           HN       CYS   4  -0.602   4.467  -7.490
   28    HA   CYS   4           HA       CYS   4  -2.526   2.717  -6.068
   29   1HB   CYS   4          HB2       CYS   4  -0.609   0.975  -5.968
   30   2HB   CYS   4          HB1       CYS   4  -1.497   1.113  -7.484
   31    H    ALA   5           HN       ALA   5  -1.369   1.919  -3.946
   32    HA   ALA   5           HA       ALA   5  -0.476   4.216  -2.475
   33   1HB   ALA   5          HB1       ALA   5  -1.244   2.748  -0.936
   34   2HB   ALA   5          HB2       ALA   5   0.277   1.875  -1.108
   35   3HB   ALA   5          HB3       ALA   5  -1.119   1.411  -2.079
   36    H    ARG   6           HN       ARG   6   1.698   4.004  -1.143
   37    HA   ARG   6           HA       ARG   6   3.883   3.172  -3.030
   38   1HB   ARG   6          HB2       ARG   6   3.452   5.621  -1.317
   39   2HB   ARG   6          HB1       ARG   6   5.064   5.179  -1.883
   40   1HG   ARG   6          HG2       ARG   6   4.555   5.599  -4.099
   41   2HG   ARG   6          HG1       ARG   6   2.842   5.235  -3.884
   42   1HD   ARG   6          HD2       ARG   6   3.137   7.424  -2.245
   43   2HD   ARG   6          HD1       ARG   6   4.255   7.806  -3.569
   44    HE   ARG   6           HE       ARG   6   1.344   7.249  -3.897
   45   1HH1  ARG   6          HH11      ARG   6   3.688   9.448  -4.624
   46   2HH1  ARG   6          HH12      ARG   6   3.394   9.505  -6.331
   47   1HH2  ARG   6          HH21      ARG   6   1.269   6.767  -6.325
   48   2HH2  ARG   6          HH22      ARG   6   2.027   7.988  -7.293
   49    H    VAL   7           HN       VAL   7   6.037   3.631  -1.334
   50    HA   VAL   7           HA       VAL   7   5.816   1.363   0.527
   51    HB   VAL   7           HB       VAL   7   8.267   1.874   0.796
   52   1HG1  VAL   7          HG11      VAL   7   8.050   0.359  -0.918
   53   2HG1  VAL   7          HG12      VAL   7   8.619   1.727  -1.874
   54   3HG1  VAL   7          HG13      VAL   7   6.896   1.363  -1.797
   55   1HG2  VAL   7          HG21      VAL   7   8.264   3.771  -1.445
   56   2HG2  VAL   7          HG22      VAL   7   9.162   3.828   0.072
   57   3HG2  VAL   7          HG23      VAL   7   7.499   4.413   0.009
   58    H    LYS   8           HN       LYS   8   4.615   4.261   0.931
   59    HA   LYS   8           HA       LYS   8   5.290   4.380   3.766
   60   1HB   LYS   8          HB2       LYS   8   5.545   6.622   1.756
   61   2HB   LYS   8          HB1       LYS   8   5.576   6.887   3.499
   62   1HG   LYS   8          HG2       LYS   8   7.464   5.002   2.062
   63   2HG   LYS   8          HG1       LYS   8   7.861   6.678   2.444
   64   1HD   LYS   8          HD2       LYS   8   7.107   5.984   4.876
   65   2HD   LYS   8          HD1       LYS   8   7.468   4.356   4.301
   66   1HE   LYS   8          HE2       LYS   8   9.494   6.496   3.761
   67   2HE   LYS   8          HE1       LYS   8   9.380   5.849   5.409
   68   1HZ   LYS   8          HZ1       LYS   8   9.228   3.905   3.254
   69   2HZ   LYS   8          HZ2       LYS   8  10.011   3.799   4.756
   70   3HZ   LYS   8          HZ3       LYS   8  10.742   4.636   3.471
   71    H    GLU   9           HN       GLU   9   2.959   3.938   1.670
   72    HA   GLU   9           HA       GLU   9   0.982   5.861   2.819
   73   1HB   GLU   9          HB2       GLU   9   1.464   5.269   0.281
   74   2HB   GLU   9          HB1       GLU   9   0.442   3.875   0.631
   75   1HG   GLU   9          HG2       GLU   9  -1.039   5.571  -0.157
   76   2HG   GLU   9          HG1       GLU   9  -1.249   5.532   1.594
   77    H    ALA  10           HN       ALA  10  -0.901   5.117   3.763
   78    HA   ALA  10           HA       ALA  10  -0.680   2.616   5.239
   79   1HB   ALA  10          HB1       ALA  10  -1.676   5.059   5.690
   80   2HB   ALA  10          HB2       ALA  10  -2.308   3.635   6.517
   81   3HB   ALA  10          HB3       ALA  10  -3.149   4.283   5.108
   82    H    CYS  11           HN       CYS  11  -1.308   0.689   4.347
   83    HA   CYS  11           HA       CYS  11  -3.647   0.691   2.466
   84   1HB   CYS  11          HB2       CYS  11  -2.427  -1.005   1.179
   85   2HB   CYS  11          HB1       CYS  11  -1.417   0.428   1.369
   86    H    GLY  12           HN       GLY  12  -4.005  -2.004   2.186
   87   1HA   GLY  12          HA2       GLY  12  -3.834  -3.431   4.714
   88   2HA   GLY  12          HA1       GLY  12  -5.466  -2.847   4.383
   89    HA   PRO  13           HA       PRO  13  -5.054  -6.920   2.308
   90   1HB   PRO  13          HB2       PRO  13  -7.513  -7.828   3.089
   91   2HB   PRO  13          HB1       PRO  13  -6.057  -8.001   4.090
   92   1HG   PRO  13          HG2       PRO  13  -8.268  -6.021   4.292
   93   2HG   PRO  13          HG1       PRO  13  -7.366  -6.841   5.575
   94   1HD   PRO  13          HD2       PRO  13  -6.902  -4.262   4.809
   95   2HD   PRO  13          HD1       PRO  13  -5.664  -5.313   5.532
   96    H    TRP  14           HN       TRP  14  -8.117  -5.102   2.594
   97    HA   TRP  14           HA       TRP  14  -8.260  -5.004  -0.387
   98   1HB   TRP  14          HB2       TRP  14 -10.818  -5.467   0.087
   99   2HB   TRP  14          HB1       TRP  14  -9.685  -6.813   0.008
  100    HD1  TRP  14           HD1      TRP  14 -10.214  -4.385   2.962
  101    HE1  TRP  14           HE1      TRP  14 -10.874  -5.773   5.034
  102    HE3  TRP  14           HE3      TRP  14 -10.529  -9.025   0.852
  103    HZ2  TRP  14           HZ2      TRP  14 -11.457  -8.492   5.706
  104    HZ3  TRP  14           HZ3      TRP  14 -11.140 -10.994   2.229
  105    HH2  TRP  14           HH2      TRP  14 -11.604 -10.735   4.650
  106    H    GLU  15           HN       GLU  15  -7.566  -2.967   1.608
  107    HA   GLU  15           HA       GLU  15  -9.939  -1.145   1.442
  108   1HB   GLU  15          HB2       GLU  15  -9.104  -1.614   3.690
  109   2HB   GLU  15          HB1       GLU  15  -7.463  -1.191   3.198
  110   1HG   GLU  15          HG2       GLU  15  -8.520   1.101   2.523
  111   2HG   GLU  15          HG1       GLU  15  -9.836   0.616   3.593
  112    H    TRP  16           HN       TRP  16  -6.522  -1.512   0.683
  113    HA   TRP  16           HA       TRP  16  -6.711   0.761  -1.221
  114   1HB   TRP  16          HB2       TRP  16  -5.615   0.943   1.377
  115   2HB   TRP  16          HB1       TRP  16  -4.234   0.873   0.282
  116    HD1  TRP  16           HD1      TRP  16  -5.478   2.387  -2.189
  117    HE1  TRP  16           HE1      TRP  16  -5.910   4.925  -2.050
  118    HE3  TRP  16           HE3      TRP  16  -5.624   2.979   2.879
  119    HZ2  TRP  16           HZ2      TRP  16  -6.266   6.942  -0.049
  120    HZ3  TRP  16           HZ3      TRP  16  -6.008   5.215   3.875
  121    HH2  TRP  16           HH2      TRP  16  -6.329   7.196   2.419
  122    HA   PRO  17           HA       PRO  17  -4.457  -2.614  -3.177
  123   1HB   PRO  17          HB2       PRO  17  -4.737  -1.638  -5.721
  124   2HB   PRO  17          HB1       PRO  17  -6.011  -2.550  -4.887
  125   1HG   PRO  17          HG2       PRO  17  -5.732   0.390  -5.273
  126   2HG   PRO  17          HG1       PRO  17  -7.182  -0.624  -5.337
  127   1HD   PRO  17          HD2       PRO  17  -6.531   0.916  -3.188
  128   2HD   PRO  17          HD1       PRO  17  -7.465  -0.592  -3.061
  129    H    CYS  18           HN       CYS  18  -2.265  -2.450  -2.910
  130    HA   CYS  18           HA       CYS  18  -0.826   0.063  -3.410
  131   1HB   CYS  18          HB2       CYS  18  -0.571  -2.121  -1.741
  132   2HB   CYS  18          HB1       CYS  18   0.680  -2.426  -2.946
  133    H    CYS  19           HN       CYS  19   1.311  -0.184  -4.723
  134    HA   CYS  19           HA       CYS  19   0.680  -0.853  -7.450
  135   1HB   CYS  19          HB2       CYS  19   3.405  -0.520  -6.160
  136   2HB   CYS  19          HB1       CYS  19   2.971  -0.187  -7.836
  137    H    SER  20           HN       SER  20   2.738  -2.270  -8.503
  138    HA   SER  20           HA       SER  20   2.244  -5.004  -7.485
  139   1HB   SER  20          HB2       SER  20   2.792  -5.626  -9.652
  140   2HB   SER  20          HB1       SER  20   2.297  -3.961  -9.948
  141    HG   SER  20           HG       SER  20   4.259  -4.012 -10.831
  142    H    GLY  21           HN       GLY  21   3.616  -5.720  -5.900
  143   1HA   GLY  21          HA2       GLY  21   5.943  -6.569  -5.545
  144   2HA   GLY  21          HA1       GLY  21   6.512  -5.017  -6.161
  145    H    LEU  22           HN       LEU  22   3.854  -4.238  -4.427
  146    HA   LEU  22           HA       LEU  22   5.469  -3.776  -1.939
  147   1HB   LEU  22          HB2       LEU  22   3.299  -2.220  -3.366
  148   2HB   LEU  22          HB1       LEU  22   3.821  -1.823  -1.729
  149    HG   LEU  22           HG       LEU  22   5.639  -1.957  -4.153
  150   1HD1  LEU  22          HD11      LEU  22   4.965   0.150  -4.565
  151   2HD1  LEU  22          HD12      LEU  22   5.570   0.621  -2.977
  152   3HD1  LEU  22          HD13      LEU  22   3.893   0.110  -3.165
  153   1HD2  LEU  22          HD21      LEU  22   6.086  -1.227  -1.246
  154   2HD2  LEU  22          HD22      LEU  22   7.230  -0.826  -2.528
  155   3HD2  LEU  22          HD23      LEU  22   6.871  -2.514  -2.162
  156    H    LYS  23           HN       LYS  23   4.756  -5.045  -0.262
  157    HA   LYS  23           HA       LYS  23   1.861  -5.828  -0.215
  158   1HB   LYS  23          HB2       LYS  23   2.757  -7.727   1.192
  159   2HB   LYS  23          HB1       LYS  23   3.384  -7.701  -0.456
  160   1HG   LYS  23          HG2       LYS  23   5.503  -7.168   0.214
  161   2HG   LYS  23          HG1       LYS  23   4.938  -6.147   1.537
  162   1HD   LYS  23          HD2       LYS  23   4.493  -8.047   2.931
  163   2HD   LYS  23          HD1       LYS  23   4.724  -9.165   1.587
  164   1HE   LYS  23          HE2       LYS  23   6.779  -9.281   2.775
  165   2HE   LYS  23          HE1       LYS  23   7.130  -8.144   1.458
  166   1HZ   LYS  23          HZ1       LYS  23   7.755  -6.878   3.234
  167   2HZ   LYS  23          HZ2       LYS  23   6.648  -7.605   4.299
  168   3HZ   LYS  23          HZ3       LYS  23   6.113  -6.454   3.169
  169    H    CYS  24           HN       CYS  24   0.662  -5.160   1.539
  170    HA   CYS  24           HA       CYS  24   1.503  -3.142   3.318
  171   1HB   CYS  24          HB2       CYS  24  -0.617  -5.300   3.566
  172   2HB   CYS  24          HB1       CYS  24  -0.540  -3.873   4.598
  173    H    ASP  25           HN       ASP  25   3.411  -3.521   4.483
  174    HA   ASP  25           HA       ASP  25   3.847  -6.075   5.884
  175   1HB   ASP  25          HB2       ASP  25   5.544  -4.519   4.696
  176   2HB   ASP  25          HB1       ASP  25   5.430  -3.516   6.142
  177    H    GLY  26           HN       GLY  26   1.567  -5.282   6.992
  178   1HA   GLY  26          HA2       GLY  26   1.047  -5.249   9.399
  179   2HA   GLY  26          HA1       GLY  26   2.387  -4.124   9.620
  180    H    SER  27           HN       SER  27   1.999  -2.177   7.812
  181    HA   SER  27           HA       SER  27  -0.817  -1.323   7.744
  182   1HB   SER  27          HB2       SER  27   0.308   0.831   9.039
  183   2HB   SER  27          HB1       SER  27  -0.634  -0.429   9.830
  184    HG   SER  27           HG       SER  27   2.172  -0.187   9.574
  185    H    GLU  28           HN       GLU  28   2.599  -0.498   7.273
  186    HA   GLU  28           HA       GLU  28   1.823   1.436   5.128
  187   1HB   GLU  28          HB2       GLU  28   4.108   1.046   7.015
  188   2HB   GLU  28          HB1       GLU  28   4.456   1.810   5.464
  189   1HG   GLU  28          HG2       GLU  28   2.396   3.308   5.995
  190   2HG   GLU  28          HG1       GLU  28   2.619   2.754   7.655
  191    H    CYS  29           HN       CYS  29   2.013   0.706   3.044
  192    HA   CYS  29           HA       CYS  29   2.821  -1.825   2.196
  193   1HB   CYS  29          HB2       CYS  29   2.470   0.869   1.043
  194   2HB   CYS  29          HB1       CYS  29   3.519  -0.187   0.097
  195    H    HIS  30           HN       HIS  30   4.794  -2.826   1.907
  196    HA   HIS  30           HA       HIS  30   7.258  -1.162   2.316
  197   1HB   HIS  30          HB2       HIS  30   6.381  -3.922   3.114
  198   2HB   HIS  30          HB1       HIS  30   8.103  -3.593   2.928
  199    HD1  HIS  30           HD1      HIS  30   8.039  -4.023   5.639
  200    HD2  HIS  30           HD2      HIS  30   6.297  -0.495   4.261
  201    HE1  HIS  30           HE1      HIS  30   7.849  -2.487   7.644
  202    HA   PRO  31           HA       PRO  31   8.654  -2.544  -1.621
  203   1HB   PRO  31          HB2       PRO  31  11.355  -2.610  -1.239
  204   2HB   PRO  31          HB1       PRO  31  10.432  -1.098  -1.326
  205   1HG   PRO  31          HG2       PRO  31  11.583  -2.470   1.020
  206   2HG   PRO  31          HG1       PRO  31  11.286  -0.749   0.748
  207   1HD   PRO  31          HD2       PRO  31   9.714  -2.478   2.293
  208   2HD   PRO  31          HD1       PRO  31   9.259  -0.853   1.739
  209    H    GLN  32           HN       GLN  32   7.776  -4.761  -0.018
  210    HA   GLN  32           HA       GLN  32   8.043  -7.102   0.180
  211   1HB   GLN  32          HB2       GLN  32   8.221  -6.383  -2.360
  212   2HB   GLN  32          HB1       GLN  32   9.897  -6.898  -2.172
  213   1HG   GLN  32          HG2       GLN  32   9.275  -9.118  -1.624
  214   2HG   GLN  32          HG1       GLN  32   7.605  -8.655  -1.293
  215   1HE2  GLN  32          HE21      GLN  32   6.337  -9.580  -2.916
  216   2HE2  GLN  32          HE22      GLN  32   6.699  -9.534  -4.573
  Start of MODEL    2
    1   1H    TRP   1           HT1      TRP   1   7.716   4.412  -8.387
    2   2H    TRP   1           HT2      TRP   1   7.090   5.328  -7.098
    3   3H    TRP   1           HT3      TRP   1   6.834   5.825  -8.701
    4    HA   TRP   1           HA       TRP   1   5.690   3.497  -8.932
    5   1HB   TRP   1          HB2       TRP   1   5.180   4.114  -6.025
    6   2HB   TRP   1          HB1       TRP   1   4.954   2.592  -6.883
    7    HD1  TRP   1           HD1      TRP   1   7.289   4.293  -4.636
    8    HE1  TRP   1           HE1      TRP   1   9.553   3.065  -4.544
    9    HE3  TRP   1           HE3      TRP   1   6.774   1.187  -8.658
   10    HZ2  TRP   1           HZ2      TRP   1  10.960   1.035  -5.983
   11    HZ3  TRP   1           HZ3      TRP   1   8.591  -0.382  -9.273
   12    HH2  TRP   1           HH2      TRP   1  10.682  -0.461  -7.942
   13    H    LEU   2           HN       LEU   2   4.277   4.726 -10.200
   14    HA   LEU   2           HA       LEU   2   2.405   6.539  -8.711
   15   1HB   LEU   2          HB2       LEU   2   3.339   6.908 -11.566
   16   2HB   LEU   2          HB1       LEU   2   2.567   8.096 -10.514
   17    HG   LEU   2           HG       LEU   2   4.780   7.387  -9.041
   18   1HD1  LEU   2          HD11      LEU   2   6.543   6.796 -10.342
   19   2HD1  LEU   2          HD12      LEU   2   6.076   7.902 -11.633
   20   3HD1  LEU   2          HD13      LEU   2   5.319   6.314 -11.518
   21   1HD2  LEU   2          HD21      LEU   2   5.308   9.611  -9.281
   22   2HD2  LEU   2          HD22      LEU   2   3.704   9.663 -10.013
   23   3HD2  LEU   2          HD23      LEU   2   5.138   9.569 -11.036
   24    H    GLY   3           HN       GLY   3   0.333   5.808  -8.889
   25   1HA   GLY   3          HA2       GLY   3  -1.454   5.321 -10.655
   26   2HA   GLY   3          HA1       GLY   3  -0.347   4.073 -11.229
   27    H    CYS   4           HN       CYS   4  -0.101   4.299  -7.894
   28    HA   CYS   4           HA       CYS   4  -2.400   2.622  -7.199
   29   1HB   CYS   4          HB2       CYS   4  -0.506   0.854  -6.405
   30   2HB   CYS   4          HB1       CYS   4  -1.305   0.752  -7.968
   31    H    ALA   5           HN       ALA   5  -1.342   1.475  -4.863
   32    HA   ALA   5           HA       ALA   5  -1.324   3.728  -3.061
   33   1HB   ALA   5          HB1       ALA   5  -1.975   1.972  -1.796
   34   2HB   ALA   5          HB2       ALA   5  -0.302   1.414  -1.793
   35   3HB   ALA   5          HB3       ALA   5  -1.419   0.843  -3.030
   36    H    ARG   6           HN       ARG   6   0.494   4.037  -1.434
   37    HA   ARG   6           HA       ARG   6   3.168   3.733  -2.765
   38   1HB   ARG   6          HB2       ARG   6   2.310   5.911  -0.848
   39   2HB   ARG   6          HB1       ARG   6   3.689   5.918  -1.947
   40   1HG   ARG   6          HG2       ARG   6   1.533   5.476  -3.640
   41   2HG   ARG   6          HG1       ARG   6   0.898   6.630  -2.464
   42   1HD   ARG   6          HD2       ARG   6   2.877   8.096  -2.865
   43   2HD   ARG   6          HD1       ARG   6   3.427   6.962  -4.117
   44    HE   ARG   6           HE       ARG   6   0.996   7.362  -5.060
   45   1HH1  ARG   6          HH11      ARG   6   0.406   9.587  -3.158
   46   2HH1  ARG   6          HH12      ARG   6   0.868  10.984  -4.072
   47   1HH2  ARG   6          HH21      ARG   6   2.720   9.185  -6.386
   48   2HH2  ARG   6          HH22      ARG   6   2.175  10.756  -5.902
   49    H    VAL   7           HN       VAL   7   4.981   3.856  -1.069
   50    HA   VAL   7           HA       VAL   7   4.771   1.773   0.837
   51    HB   VAL   7           HB       VAL   7   6.600   4.191   0.731
   52   1HG1  VAL   7          HG11      VAL   7   6.870   3.125   2.860
   53   2HG1  VAL   7          HG12      VAL   7   8.196   2.550   1.849
   54   3HG1  VAL   7          HG13      VAL   7   6.795   1.518   2.136
   55   1HG2  VAL   7          HG21      VAL   7   6.729   3.065  -1.368
   56   2HG2  VAL   7          HG22      VAL   7   6.638   1.477  -0.608
   57   3HG2  VAL   7          HG23      VAL   7   8.095   2.455  -0.436
   58    H    LYS   8           HN       LYS   8   5.288   5.175   1.736
   59    HA   LYS   8           HA       LYS   8   4.618   5.068   4.389
   60   1HB   LYS   8          HB2       LYS   8   4.297   7.452   4.193
   61   2HB   LYS   8          HB1       LYS   8   5.524   6.977   3.020
   62   1HG   LYS   8          HG2       LYS   8   3.622   6.775   1.323
   63   2HG   LYS   8          HG1       LYS   8   2.615   7.612   2.506
   64   1HD   LYS   8          HD2       LYS   8   4.126   9.521   2.511
   65   2HD   LYS   8          HD1       LYS   8   5.243   8.680   1.437
   66   1HE   LYS   8          HE2       LYS   8   3.814  10.284   0.180
   67   2HE   LYS   8          HE1       LYS   8   3.481   8.613  -0.321
   68   1HZ   LYS   8          HZ1       LYS   8   2.016   9.845   1.927
   69   2HZ   LYS   8          HZ2       LYS   8   1.570   8.515   0.966
   70   3HZ   LYS   8          HZ3       LYS   8   1.499  10.088   0.329
   71    H    GLU   9           HN       GLU   9   2.413   4.704   1.724
   72    HA   GLU   9           HA       GLU   9   0.012   5.504   3.191
   73   1HB   GLU   9          HB2       GLU   9   0.124   5.703   0.779
   74   2HB   GLU   9          HB1       GLU   9   0.553   4.000   0.613
   75   1HG   GLU   9          HG2       GLU   9  -1.597   3.284   0.932
   76   2HG   GLU   9          HG1       GLU   9  -1.961   4.568   2.085
   77    H    ALA  10           HN       ALA  10  -1.272   4.262   4.401
   78    HA   ALA  10           HA       ALA  10  -0.414   1.520   5.059
   79   1HB   ALA  10          HB1       ALA  10  -2.260   1.933   6.789
   80   2HB   ALA  10          HB2       ALA  10  -2.386   3.553   6.104
   81   3HB   ALA  10          HB3       ALA  10  -0.877   3.024   6.848
   82    H    CYS  11           HN       CYS  11  -1.208  -0.049   3.683
   83    HA   CYS  11           HA       CYS  11  -4.073   0.161   2.833
   84   1HB   CYS  11          HB2       CYS  11  -3.426  -0.594   0.743
   85   2HB   CYS  11          HB1       CYS  11  -1.930   0.194   1.229
   86    H    GLY  12           HN       GLY  12  -4.257  -2.526   1.907
   87   1HA   GLY  12          HA2       GLY  12  -3.809  -4.801   2.905
   88   2HA   GLY  12          HA1       GLY  12  -4.020  -4.034   4.479
   89    HA   PRO  13           HA       PRO  13  -8.188  -5.481   3.711
   90   1HB   PRO  13          HB2       PRO  13  -8.954  -5.437   6.332
   91   2HB   PRO  13          HB1       PRO  13  -7.987  -6.751   5.636
   92   1HG   PRO  13          HG2       PRO  13  -7.153  -4.509   7.376
   93   2HG   PRO  13          HG1       PRO  13  -6.514  -6.154   7.265
   94   1HD   PRO  13          HD2       PRO  13  -5.352  -3.881   6.153
   95   2HD   PRO  13          HD1       PRO  13  -4.979  -5.560   5.711
   96    H    TRP  14           HN       TRP  14  -7.055  -2.491   4.168
   97    HA   TRP  14           HA       TRP  14  -9.711  -1.294   4.870
   98   1HB   TRP  14          HB2       TRP  14  -6.836  -0.546   5.314
   99   2HB   TRP  14          HB1       TRP  14  -8.059   0.724   5.279
  100    HD1  TRP  14           HD1      TRP  14  -8.060  -2.821   6.851
  101    HE1  TRP  14           HE1      TRP  14  -8.821  -2.601   9.305
  102    HE3  TRP  14           HE3      TRP  14  -8.640   2.244   7.147
  103    HZ2  TRP  14           HZ2      TRP  14  -9.574  -0.547  11.150
  104    HZ3  TRP  14           HZ3      TRP  14  -9.378   3.304   9.261
  105    HH2  TRP  14           HH2      TRP  14  -9.846   1.916  11.261
  106    H    GLU  15           HN       GLU  15  -7.128  -1.399   2.465
  107    HA   GLU  15           HA       GLU  15  -8.860   0.180   0.631
  108   1HB   GLU  15          HB2       GLU  15  -6.036   0.875   1.482
  109   2HB   GLU  15          HB1       GLU  15  -6.841   1.609   0.094
  110   1HG   GLU  15          HG2       GLU  15  -8.765   2.079   1.831
  111   2HG   GLU  15          HG1       GLU  15  -7.468   1.898   3.013
  112    H    TRP  16           HN       TRP  16  -6.966   0.510  -1.402
  113    HA   TRP  16           HA       TRP  16  -6.929  -2.109  -2.628
  114   1HB   TRP  16          HB2       TRP  16  -5.387   0.361  -3.459
  115   2HB   TRP  16          HB1       TRP  16  -6.078  -0.881  -4.500
  116    HD1  TRP  16           HD1      TRP  16  -6.751   2.490  -3.436
  117    HE1  TRP  16           HE1      TRP  16  -9.243   3.105  -3.683
  118    HE3  TRP  16           HE3      TRP  16  -8.758  -2.169  -4.047
  119    HZ2  TRP  16           HZ2      TRP  16 -11.753   1.798  -4.086
  120    HZ3  TRP  16           HZ3      TRP  16 -11.200  -2.453  -4.360
  121    HH2  TRP  16           HH2      TRP  16 -12.698  -0.478  -4.380
  122    HA   PRO  17           HA       PRO  17  -2.959  -3.627  -1.504
  123   1HB   PRO  17          HB2       PRO  17  -1.924  -4.518  -3.879
  124   2HB   PRO  17          HB1       PRO  17  -3.235  -5.351  -3.019
  125   1HG   PRO  17          HG2       PRO  17  -3.378  -3.492  -5.344
  126   2HG   PRO  17          HG1       PRO  17  -4.276  -4.988  -5.041
  127   1HD   PRO  17          HD2       PRO  17  -5.350  -2.540  -4.648
  128   2HD   PRO  17          HD1       PRO  17  -5.808  -3.952  -3.672
  129    H    CYS  18           HN       CYS  18  -0.514  -3.614  -2.757
  130    HA   CYS  18           HA       CYS  18   0.090  -0.694  -2.946
  131   1HB   CYS  18          HB2       CYS  18   1.872  -3.098  -2.437
  132   2HB   CYS  18          HB1       CYS  18   2.331  -1.405  -2.253
  133    H    CYS  19           HN       CYS  19   1.795  -0.077  -4.529
  134    HA   CYS  19           HA       CYS  19   1.291  -0.758  -7.187
  135   1HB   CYS  19          HB2       CYS  19   3.770   0.183  -5.729
  136   2HB   CYS  19          HB1       CYS  19   3.710   0.074  -7.488
  137    H    SER  20           HN       SER  20   2.966  -1.887  -8.685
  138    HA   SER  20           HA       SER  20   3.165  -4.667  -7.986
  139   1HB   SER  20          HB2       SER  20   3.982  -4.855 -10.170
  140   2HB   SER  20          HB1       SER  20   3.129  -3.316 -10.262
  141    HG   SER  20           HG       SER  20   5.395  -3.417 -11.050
  142    H    GLY  21           HN       GLY  21   4.742  -5.683  -6.800
  143   1HA   GLY  21          HA2       GLY  21   7.047  -6.122  -6.209
  144   2HA   GLY  21          HA1       GLY  21   7.450  -4.469  -6.674
  145    H    LEU  22           HN       LEU  22   4.688  -4.076  -5.022
  146    HA   LEU  22           HA       LEU  22   6.095  -3.817  -2.381
  147   1HB   LEU  22          HB2       LEU  22   4.322  -2.027  -4.006
  148   2HB   LEU  22          HB1       LEU  22   4.249  -1.902  -2.248
  149    HG   LEU  22           HG       LEU  22   6.967  -2.002  -3.440
  150   1HD1  LEU  22          HD11      LEU  22   6.948   0.068  -4.451
  151   2HD1  LEU  22          HD12      LEU  22   5.636   0.669  -3.437
  152   3HD1  LEU  22          HD13      LEU  22   5.284  -0.409  -4.789
  153   1HD2  LEU  22          HD21      LEU  22   6.860  -1.720  -1.088
  154   2HD2  LEU  22          HD22      LEU  22   5.545  -0.552  -1.205
  155   3HD2  LEU  22          HD23      LEU  22   7.174  -0.099  -1.704
  156    H    LYS  23           HN       LYS  23   4.822  -4.339  -0.526
  157    HA   LYS  23           HA       LYS  23   2.031  -5.251  -0.914
  158   1HB   LYS  23          HB2       LYS  23   3.389  -7.179  -1.531
  159   2HB   LYS  23          HB1       LYS  23   4.350  -7.013  -0.060
  160   1HG   LYS  23          HG2       LYS  23   2.884  -8.546   0.772
  161   2HG   LYS  23          HG1       LYS  23   1.839  -7.141   0.990
  162   1HD   LYS  23          HD2       LYS  23   1.534  -7.927  -1.707
  163   2HD   LYS  23          HD1       LYS  23   1.470  -9.410  -0.755
  164   1HE   LYS  23          HE2       LYS  23  -0.062  -7.098   0.332
  165   2HE   LYS  23          HE1       LYS  23  -0.711  -7.866  -1.131
  166   1HZ   LYS  23          HZ1       LYS  23   0.309  -9.591   1.004
  167   2HZ   LYS  23          HZ2       LYS  23  -0.950  -9.870  -0.101
  168   3HZ   LYS  23          HZ3       LYS  23  -1.202  -8.858   1.241
  169    H    CYS  24           HN       CYS  24   0.893  -4.630   0.883
  170    HA   CYS  24           HA       CYS  24   2.002  -3.264   3.091
  171   1HB   CYS  24          HB2       CYS  24  -0.557  -4.565   2.333
  172   2HB   CYS  24          HB1       CYS  24  -0.335  -4.269   4.058
  173    H    ASP  25           HN       ASP  25   3.471  -4.145   4.504
  174    HA   ASP  25           HA       ASP  25   3.379  -7.035   5.142
  175   1HB   ASP  25          HB2       ASP  25   5.382  -5.290   4.673
  176   2HB   ASP  25          HB1       ASP  25   5.290  -5.148   6.428
  177    H    GLY  26           HN       GLY  26   1.361  -4.924   6.171
  178   1HA   GLY  26          HA2       GLY  26   0.425  -5.876   8.477
  179   2HA   GLY  26          HA1       GLY  26   1.876  -5.080   9.088
  180    H    SER  27           HN       SER  27   1.750  -2.886   7.151
  181    HA   SER  27           HA       SER  27  -0.824  -1.529   7.703
  182   1HB   SER  27          HB2       SER  27   0.960   0.353   8.597
  183   2HB   SER  27          HB1       SER  27   0.062  -0.736   9.649
  184    HG   SER  27           HG       SER  27   2.661  -0.578   9.351
  185    H    GLU  28           HN       GLU  28   2.371  -0.145   7.087
  186    HA   GLU  28           HA       GLU  28   1.393   1.273   4.725
  187   1HB   GLU  28          HB2       GLU  28   4.192   0.943   5.851
  188   2HB   GLU  28          HB1       GLU  28   3.637   2.229   4.781
  189   1HG   GLU  28          HG2       GLU  28   1.816   2.423   6.809
  190   2HG   GLU  28          HG1       GLU  28   3.254   1.908   7.694
  191    H    CYS  29           HN       CYS  29   2.524   1.067   2.601
  192    HA   CYS  29           HA       CYS  29   2.729  -1.711   1.765
  193   1HB   CYS  29          HB2       CYS  29   3.113   1.010   0.513
  194   2HB   CYS  29          HB1       CYS  29   3.412  -0.464  -0.404
  195    H    HIS  30           HN       HIS  30   4.549  -2.851   2.381
  196    HA   HIS  30           HA       HIS  30   7.153  -1.490   2.655
  197   1HB   HIS  30          HB2       HIS  30   5.952  -4.178   3.247
  198   2HB   HIS  30          HB1       HIS  30   7.708  -4.019   3.204
  199    HD1  HIS  30           HD1      HIS  30   8.836  -2.636   5.065
  200    HD2  HIS  30           HD2      HIS  30   4.679  -2.721   5.367
  201    HE1  HIS  30           HE1      HIS  30   8.264  -1.680   7.339
  202    HA   PRO  31           HA       PRO  31   8.660  -2.611  -1.312
  203   1HB   PRO  31          HB2       PRO  31  11.329  -2.871  -0.759
  204   2HB   PRO  31          HB1       PRO  31  10.508  -1.298  -0.835
  205   1HG   PRO  31          HG2       PRO  31  11.273  -2.920   1.541
  206   2HG   PRO  31          HG1       PRO  31  11.335  -1.166   1.303
  207   1HD   PRO  31          HD2       PRO  31   9.369  -2.423   2.713
  208   2HD   PRO  31          HD1       PRO  31   9.130  -0.883   1.859
  209    H    GLN  32           HN       GLN  32   7.567  -4.740  -1.278
  210    HA   GLN  32           HA       GLN  32   8.252  -7.117  -0.093
  211   1HB   GLN  32          HB2       GLN  32   6.453  -6.808  -1.731
  212   2HB   GLN  32          HB1       GLN  32   7.638  -6.607  -3.020
  213   1HG   GLN  32          HG2       GLN  32   7.431  -8.840  -3.328
  214   2HG   GLN  32          HG1       GLN  32   8.411  -8.993  -1.870
  215   1HE2  GLN  32          HE21      GLN  32   7.062 -11.093  -1.667
  216   2HE2  GLN  32          HE22      GLN  32   5.561 -10.976  -0.883
  Start of MODEL    3
    1   1H    TRP   1           HT1      TRP   1   2.113   5.142 -12.653
    2   2H    TRP   1           HT2      TRP   1   1.210   4.507 -11.362
    3   3H    TRP   1           HT3      TRP   1   0.888   6.072 -11.939
    4    HA   TRP   1           HA       TRP   1   0.177   5.133 -14.082
    5   1HB   TRP   1          HB2       TRP   1   1.028   2.677 -12.551
    6   2HB   TRP   1          HB1       TRP   1  -0.127   2.548 -13.878
    7    HD1  TRP   1           HD1      TRP   1   3.460   2.482 -13.250
    8    HE1  TRP   1           HE1      TRP   1   4.799   2.866 -15.421
    9    HE3  TRP   1           HE3      TRP   1  -0.264   4.194 -16.292
   10    HZ2  TRP   1           HZ2      TRP   1   4.348   3.777 -18.096
   11    HZ3  TRP   1           HZ3      TRP   1   0.216   4.813 -18.643
   12    HH2  TRP   1           HH2      TRP   1   2.515   4.606 -19.548
   13    H    LEU   2           HN       LEU   2  -2.015   5.465 -14.084
   14    HA   LEU   2           HA       LEU   2  -4.216   5.664 -13.251
   15   1HB   LEU   2          HB2       LEU   2  -3.205   2.997 -12.240
   16   2HB   LEU   2          HB1       LEU   2  -4.889   3.492 -12.080
   17    HG   LEU   2           HG       LEU   2  -3.596   3.706 -14.770
   18   1HD1  LEU   2          HD11      LEU   2  -4.948   1.153 -14.338
   19   2HD1  LEU   2          HD12      LEU   2  -3.498   1.311 -13.346
   20   3HD1  LEU   2          HD13      LEU   2  -3.390   1.478 -15.099
   21   1HD2  LEU   2          HD21      LEU   2  -5.770   4.443 -14.937
   22   2HD2  LEU   2          HD22      LEU   2  -6.312   3.476 -13.566
   23   3HD2  LEU   2          HD23      LEU   2  -6.079   2.719 -15.142
   24    H    GLY   3           HN       GLY   3  -3.354   3.780 -10.436
   25   1HA   GLY   3          HA2       GLY   3  -2.594   5.937  -8.704
   26   2HA   GLY   3          HA1       GLY   3  -4.326   5.639  -8.558
   27    H    CYS   4           HN       CYS   4  -1.362   4.776  -7.309
   28    HA   CYS   4           HA       CYS   4  -2.562   2.423  -5.950
   29   1HB   CYS   4          HB2       CYS   4  -0.794   0.961  -6.645
   30   2HB   CYS   4          HB1       CYS   4  -1.369   1.766  -8.104
   31    H    ALA   5           HN       ALA   5  -1.664   2.088  -3.884
   32    HA   ALA   5           HA       ALA   5  -0.479   4.248  -2.496
   33   1HB   ALA   5          HB1       ALA   5  -1.428   2.701  -1.087
   34   2HB   ALA   5          HB2       ALA   5   0.220   2.074  -1.029
   35   3HB   ALA   5          HB3       ALA   5  -0.964   1.342  -2.111
   36    H    ARG   6           HN       ARG   6   1.738   4.362  -1.573
   37    HA   ARG   6           HA       ARG   6   3.784   3.220  -3.446
   38   1HB   ARG   6          HB2       ARG   6   3.731   5.748  -1.763
   39   2HB   ARG   6          HB1       ARG   6   5.080   5.254  -2.786
   40   1HG   ARG   6          HG2       ARG   6   3.863   5.578  -4.769
   41   2HG   ARG   6          HG1       ARG   6   2.309   5.495  -3.939
   42   1HD   ARG   6          HD2       ARG   6   3.509   7.641  -2.682
   43   2HD   ARG   6          HD1       ARG   6   4.071   7.816  -4.358
   44    HE   ARG   6           HE       ARG   6   1.255   7.900  -3.465
   45   1HH1  ARG   6          HH11      ARG   6   1.554   6.113  -5.893
   46   2HH1  ARG   6          HH12      ARG   6   1.322   7.245  -7.184
   47   1HH2  ARG   6          HH21      ARG   6   1.820  10.034  -5.183
   48   2HH2  ARG   6          HH22      ARG   6   1.473   9.465  -6.782
   49    H    VAL   7           HN       VAL   7   6.042   3.778  -1.888
   50    HA   VAL   7           HA       VAL   7   5.871   1.646   0.142
   51    HB   VAL   7           HB       VAL   7   7.718   1.993  -1.576
   52   1HG1  VAL   7          HG11      VAL   7   8.950   3.992   0.252
   53   2HG1  VAL   7          HG12      VAL   7   7.657   4.579  -0.794
   54   3HG1  VAL   7          HG13      VAL   7   9.091   3.832  -1.500
   55   1HG2  VAL   7          HG21      VAL   7   8.166   0.523   0.261
   56   2HG2  VAL   7          HG22      VAL   7   8.316   1.869   1.390
   57   3HG2  VAL   7          HG23      VAL   7   9.554   1.606   0.163
   58    H    LYS   8           HN       LYS   8   4.284   3.546   1.156
   59    HA   LYS   8           HA       LYS   8   5.346   4.240   3.633
   60   1HB   LYS   8          HB2       LYS   8   5.570   6.784   3.128
   61   2HB   LYS   8          HB1       LYS   8   6.883   5.729   2.612
   62   1HG   LYS   8          HG2       LYS   8   5.985   5.650   0.342
   63   2HG   LYS   8          HG1       LYS   8   4.573   6.578   0.840
   64   1HD   LYS   8          HD2       LYS   8   5.684   8.528   0.628
   65   2HD   LYS   8          HD1       LYS   8   7.044   7.925   1.577
   66   1HE   LYS   8          HE2       LYS   8   6.663   7.009  -1.275
   67   2HE   LYS   8          HE1       LYS   8   7.494   8.535  -0.917
   68   1HZ   LYS   8          HZ1       LYS   8   9.112   7.468   0.323
   69   2HZ   LYS   8          HZ2       LYS   8   8.868   6.369  -0.950
   70   3HZ   LYS   8          HZ3       LYS   8   8.169   6.080   0.572
   71    H    GLU   9           HN       GLU   9   2.835   3.437   2.297
   72    HA   GLU   9           HA       GLU   9   1.054   5.511   3.518
   73   1HB   GLU   9          HB2       GLU   9   1.236   4.513   0.723
   74   2HB   GLU   9          HB1       GLU   9  -0.395   4.670   1.377
   75   1HG   GLU   9          HG2       GLU   9   0.661   7.016   2.218
   76   2HG   GLU   9          HG1       GLU   9   1.601   6.776   0.745
   77    H    ALA  10           HN       ALA  10  -0.187   4.585   4.972
   78    HA   ALA  10           HA       ALA  10  -0.332   1.854   5.597
   79   1HB   ALA  10          HB1       ALA  10  -0.982   3.983   6.863
   80   2HB   ALA  10          HB2       ALA  10  -2.055   2.599   7.074
   81   3HB   ALA  10          HB3       ALA  10  -2.510   3.911   5.986
   82    H    CYS  11           HN       CYS  11  -0.925   0.386   3.956
   83    HA   CYS  11           HA       CYS  11  -3.379   1.015   2.387
   84   1HB   CYS  11          HB2       CYS  11  -2.421  -0.245   0.693
   85   2HB   CYS  11          HB1       CYS  11  -0.967   0.308   1.515
   86    H    GLY  12           HN       GLY  12  -4.014  -1.671   1.709
   87   1HA   GLY  12          HA2       GLY  12  -4.346  -3.327   4.047
   88   2HA   GLY  12          HA1       GLY  12  -5.823  -2.423   3.710
   89    HA   PRO  13           HA       PRO  13  -5.248  -6.178   0.855
   90   1HB   PRO  13          HB2       PRO  13  -6.713  -8.052   2.209
   91   2HB   PRO  13          HB1       PRO  13  -4.962  -7.856   2.421
   92   1HG   PRO  13          HG2       PRO  13  -7.195  -6.903   4.140
   93   2HG   PRO  13          HG1       PRO  13  -5.611  -7.549   4.600
   94   1HD   PRO  13          HD2       PRO  13  -6.225  -4.886   4.612
   95   2HD   PRO  13          HD1       PRO  13  -4.579  -5.519   4.389
   96    H    TRP  14           HN       TRP  14  -7.973  -5.068   2.818
   97    HA   TRP  14           HA       TRP  14  -9.831  -5.609   0.541
   98   1HB   TRP  14          HB2       TRP  14 -11.520  -5.733   2.186
   99   2HB   TRP  14          HB1       TRP  14 -10.124  -6.451   2.984
  100    HD1  TRP  14           HD1      TRP  14  -8.700  -3.521   3.488
  101    HE1  TRP  14           HE1      TRP  14  -9.590  -2.096   5.436
  102    HE3  TRP  14           HE3      TRP  14 -13.294  -5.659   4.114
  103    HZ2  TRP  14           HZ2      TRP  14 -11.942  -1.885   7.051
  104    HZ3  TRP  14           HZ3      TRP  14 -14.838  -4.826   5.864
  105    HH2  TRP  14           HH2      TRP  14 -14.169  -2.944   7.332
  106    H    GLU  15           HN       GLU  15  -8.009  -3.098   1.805
  107    HA   GLU  15           HA       GLU  15 -10.030  -1.016   1.074
  108   1HB   GLU  15          HB2       GLU  15  -8.444  -1.361   3.292
  109   2HB   GLU  15          HB1       GLU  15  -7.467  -0.254   2.327
  110   1HG   GLU  15          HG2       GLU  15  -9.038   0.948   3.833
  111   2HG   GLU  15          HG1       GLU  15  -9.348   1.289   2.131
  112    H    TRP  16           HN       TRP  16  -8.112   1.046   0.628
  113    HA   TRP  16           HA       TRP  16  -7.635   1.052  -2.084
  114   1HB   TRP  16          HB2       TRP  16  -5.412   2.350  -1.271
  115   2HB   TRP  16          HB1       TRP  16  -7.018   3.053  -1.122
  116    HD1  TRP  16           HD1      TRP  16  -4.820   0.684   1.030
  117    HE1  TRP  16           HE1      TRP  16  -5.041   1.422   3.492
  118    HE3  TRP  16           HE3      TRP  16  -8.085   4.570   0.496
  119    HZ2  TRP  16           HZ2      TRP  16  -6.423   3.402   5.031
  120    HZ3  TRP  16           HZ3      TRP  16  -8.838   5.862   2.469
  121    HH2  TRP  16           HH2      TRP  16  -8.013   5.285   4.735
  122    HA   PRO  17           HA       PRO  17  -4.824  -2.320  -2.629
  123   1HB   PRO  17          HB2       PRO  17  -4.321  -1.902  -5.288
  124   2HB   PRO  17          HB1       PRO  17  -5.821  -2.638  -4.690
  125   1HG   PRO  17          HG2       PRO  17  -5.312   0.145  -5.602
  126   2HG   PRO  17          HG1       PRO  17  -6.741  -0.875  -5.828
  127   1HD   PRO  17          HD2       PRO  17  -6.573   1.124  -3.968
  128   2HD   PRO  17          HD1       PRO  17  -7.636  -0.292  -3.810
  129    H    CYS  18           HN       CYS  18  -2.582  -2.399  -4.055
  130    HA   CYS  18           HA       CYS  18  -1.026   0.108  -3.651
  131   1HB   CYS  18          HB2       CYS  18  -1.174  -1.667  -1.652
  132   2HB   CYS  18          HB1       CYS  18   0.076  -2.472  -2.599
  133    H    CYS  19           HN       CYS  19   0.562   0.293  -5.259
  134    HA   CYS  19           HA       CYS  19   0.561  -1.178  -7.606
  135   1HB   CYS  19          HB2       CYS  19   2.453   0.543  -6.141
  136   2HB   CYS  19          HB1       CYS  19   3.221  -0.529  -7.310
  137    H    SER  20           HN       SER  20   1.836  -2.968  -8.389
  138    HA   SER  20           HA       SER  20   2.173  -5.138  -6.518
  139   1HB   SER  20          HB2       SER  20   3.331  -6.106  -8.645
  140   2HB   SER  20          HB1       SER  20   1.625  -5.682  -8.746
  141    HG   SER  20           HG       SER  20   2.131  -4.219 -10.160
  142    H    GLY  21           HN       GLY  21   4.236  -6.229  -6.036
  143   1HA   GLY  21          HA2       GLY  21   6.660  -6.267  -5.962
  144   2HA   GLY  21          HA1       GLY  21   6.669  -4.556  -6.380
  145    H    LEU  22           HN       LEU  22   4.389  -4.289  -4.271
  146    HA   LEU  22           HA       LEU  22   6.250  -4.138  -1.917
  147   1HB   LEU  22          HB2       LEU  22   3.937  -2.467  -2.915
  148   2HB   LEU  22          HB1       LEU  22   4.512  -2.335  -1.252
  149    HG   LEU  22           HG       LEU  22   6.794  -2.294  -2.965
  150   1HD1  LEU  22          HD11      LEU  22   5.724   0.135  -3.837
  151   2HD1  LEU  22          HD12      LEU  22   4.426  -1.028  -4.106
  152   3HD1  LEU  22          HD13      LEU  22   6.012  -1.292  -4.833
  153   1HD2  LEU  22          HD21      LEU  22   5.458  -0.636  -0.914
  154   2HD2  LEU  22          HD22      LEU  22   6.482   0.266  -2.032
  155   3HD2  LEU  22          HD23      LEU  22   7.162  -1.058  -1.084
  156    H    LYS  23           HN       LYS  23   5.014  -4.258   0.223
  157    HA   LYS  23           HA       LYS  23   2.500  -5.809   0.188
  158   1HB   LYS  23          HB2       LYS  23   5.214  -6.918   0.564
  159   2HB   LYS  23          HB1       LYS  23   4.054  -7.404   1.799
  160   1HG   LYS  23          HG2       LYS  23   2.592  -8.375   0.205
  161   2HG   LYS  23          HG1       LYS  23   3.389  -7.562  -1.142
  162   1HD   LYS  23          HD2       LYS  23   5.502  -8.888  -0.388
  163   2HD   LYS  23          HD1       LYS  23   4.352  -9.914   0.470
  164   1HE   LYS  23          HE2       LYS  23   3.439  -9.380  -2.243
  165   2HE   LYS  23          HE1       LYS  23   5.043 -10.139  -2.235
  166   1HZ   LYS  23          HZ1       LYS  23   3.423 -11.867  -2.076
  167   2HZ   LYS  23          HZ2       LYS  23   2.610 -11.075  -0.811
  168   3HZ   LYS  23          HZ3       LYS  23   4.160 -11.720  -0.554
  169    H    CYS  24           HN       CYS  24   1.366  -4.691   1.752
  170    HA   CYS  24           HA       CYS  24   2.506  -3.048   3.777
  171   1HB   CYS  24          HB2       CYS  24  -0.123  -4.281   3.119
  172   2HB   CYS  24          HB1       CYS  24   0.075  -3.699   4.773
  173    H    ASP  25           HN       ASP  25   4.168  -4.297   4.845
  174    HA   ASP  25           HA       ASP  25   3.430  -6.795   6.229
  175   1HB   ASP  25          HB2       ASP  25   5.601  -6.600   5.177
  176   2HB   ASP  25          HB1       ASP  25   5.933  -5.094   6.033
  177    H    GLY  26           HN       GLY  26   1.732  -5.125   7.340
  178   1HA   GLY  26          HA2       GLY  26   1.731  -5.089   9.969
  179   2HA   GLY  26          HA1       GLY  26   2.996  -3.882   9.728
  180    H    SER  27           HN       SER  27   2.221  -2.221   7.868
  181    HA   SER  27           HA       SER  27  -0.641  -1.584   8.002
  182   1HB   SER  27          HB2       SER  27   0.397   0.773   8.971
  183   2HB   SER  27          HB1       SER  27  -0.357  -0.470   9.966
  184    HG   SER  27           HG       SER  27   1.780   0.155  10.650
  185    H    GLU  28           HN       GLU  28   2.587  -0.214   7.318
  186    HA   GLU  28           HA       GLU  28   1.497   1.321   5.028
  187   1HB   GLU  28          HB2       GLU  28   3.952   1.233   6.711
  188   2HB   GLU  28          HB1       GLU  28   4.147   1.820   5.058
  189   1HG   GLU  28          HG2       GLU  28   3.609   3.789   6.189
  190   2HG   GLU  28          HG1       GLU  28   2.024   3.264   5.618
  191    H    CYS  29           HN       CYS  29   2.249   1.001   2.861
  192    HA   CYS  29           HA       CYS  29   2.764  -1.734   2.084
  193   1HB   CYS  29          HB2       CYS  29   2.389   0.936   0.874
  194   2HB   CYS  29          HB1       CYS  29   3.377  -0.164  -0.087
  195    H    HIS  30           HN       HIS  30   4.737  -2.665   2.575
  196    HA   HIS  30           HA       HIS  30   7.202  -1.046   2.627
  197   1HB   HIS  30          HB2       HIS  30   6.392  -3.887   3.240
  198   2HB   HIS  30          HB1       HIS  30   8.095  -3.436   3.177
  199    HD1  HIS  30           HD1      HIS  30   9.016  -1.967   5.073
  200    HD2  HIS  30           HD2      HIS  30   4.913  -2.641   5.378
  201    HE1  HIS  30           HE1      HIS  30   8.325  -1.156   7.371
  202    HA   PRO  31           HA       PRO  31   8.656  -2.178  -1.365
  203   1HB   PRO  31          HB2       PRO  31  11.331  -2.516  -0.924
  204   2HB   PRO  31          HB1       PRO  31  10.546  -0.925  -0.891
  205   1HG   PRO  31          HG2       PRO  31  11.419  -2.652   1.359
  206   2HG   PRO  31          HG1       PRO  31  11.422  -0.889   1.220
  207   1HD   PRO  31          HD2       PRO  31   9.550  -2.350   2.619
  208   2HD   PRO  31          HD1       PRO  31   9.296  -0.704   1.998
  209    H    GLN  32           HN       GLN  32   8.301  -4.454   0.957
  210    HA   GLN  32           HA       GLN  32   8.736  -6.684  -0.846
  211   1HB   GLN  32          HB2       GLN  32  11.055  -6.158  -0.314
  212   2HB   GLN  32          HB1       GLN  32  10.689  -6.132   1.411
  213   1HG   GLN  32          HG2       GLN  32   9.845  -8.580   0.996
  214   2HG   GLN  32          HG1       GLN  32  10.851  -8.485  -0.450
  215   1HE2  GLN  32          HE21      GLN  32  12.356 -10.084   0.506
  216   2HE2  GLN  32          HE22      GLN  32  13.438  -9.619   1.728
  Start of MODEL    4
    1   1H    TRP   1           HT1      TRP   1   1.588   3.902 -12.499
    2   2H    TRP   1           HT2      TRP   1   0.448   3.008 -11.612
    3   3H    TRP   1           HT3      TRP   1   1.408   4.176 -10.835
    4    HA   TRP   1           HA       TRP   1   0.315   5.823 -12.494
    5   1HB   TRP   1          HB2       TRP   1  -1.774   3.638 -12.352
    6   2HB   TRP   1          HB1       TRP   1  -1.740   5.045 -13.417
    7    HD1  TRP   1           HD1      TRP   1   0.503   5.066 -15.145
    8    HE1  TRP   1           HE1      TRP   1   1.444   3.084 -16.498
    9    HE3  TRP   1           HE3      TRP   1  -1.516   1.173 -12.527
   10    HZ2  TRP   1           HZ2      TRP   1   1.351   0.224 -16.473
   11    HZ3  TRP   1           HZ3      TRP   1  -1.073  -1.167 -13.213
   12    HH2  TRP   1           HH2      TRP   1   0.357  -1.646 -15.180
   13    H    LEU   2           HN       LEU   2  -1.772   6.888 -11.597
   14    HA   LEU   2           HA       LEU   2  -1.613   6.877  -8.670
   15   1HB   LEU   2          HB2       LEU   2  -2.625   8.525 -10.865
   16   2HB   LEU   2          HB1       LEU   2  -3.729   8.493  -9.490
   17    HG   LEU   2           HG       LEU   2  -0.912   8.767  -8.710
   18   1HD1  LEU   2          HD11      LEU   2  -0.556  10.987  -9.513
   19   2HD1  LEU   2          HD12      LEU   2  -2.216  11.120 -10.093
   20   3HD1  LEU   2          HD13      LEU   2  -1.078  10.055 -10.918
   21   1HD2  LEU   2          HD21      LEU   2  -1.872  10.464  -7.241
   22   2HD2  LEU   2          HD22      LEU   2  -2.908   9.036  -7.226
   23   3HD2  LEU   2          HD23      LEU   2  -3.375  10.455  -8.165
   24    H    GLY   3           HN       GLY   3  -2.873   5.593  -7.389
   25   1HA   GLY   3          HA2       GLY   3  -5.544   5.228  -7.267
   26   2HA   GLY   3          HA1       GLY   3  -5.140   4.129  -8.586
   27    H    CYS   4           HN       CYS   4  -2.423   3.773  -7.114
   28    HA   CYS   4           HA       CYS   4  -3.421   1.608  -5.311
   29   1HB   CYS   4          HB2       CYS   4  -1.308   0.557  -5.793
   30   2HB   CYS   4          HB1       CYS   4  -1.917   1.186  -7.323
   31    H    ALA   5           HN       ALA   5  -0.812   1.372  -4.011
   32    HA   ALA   5           HA       ALA   5  -0.662   3.913  -2.436
   33   1HB   ALA   5          HB1       ALA   5  -0.532   2.337  -0.409
   34   2HB   ALA   5          HB2       ALA   5  -1.108   1.071  -1.493
   35   3HB   ALA   5          HB3       ALA   5  -2.111   2.486  -1.180
   36    H    ARG   6           HN       ARG   6   1.452   4.464  -1.917
   37    HA   ARG   6           HA       ARG   6   3.610   2.730  -2.958
   38   1HB   ARG   6          HB2       ARG   6   3.596   5.492  -1.696
   39   2HB   ARG   6          HB1       ARG   6   4.959   4.756  -2.543
   40   1HG   ARG   6          HG2       ARG   6   2.446   4.731  -4.075
   41   2HG   ARG   6          HG1       ARG   6   3.062   6.348  -3.733
   42   1HD   ARG   6          HD2       ARG   6   4.456   6.034  -5.503
   43   2HD   ARG   6          HD1       ARG   6   5.340   4.895  -4.468
   44    HE   ARG   6           HE       ARG   6   3.039   3.577  -5.540
   45   1HH1  ARG   6          HH11      ARG   6   4.102   5.019  -7.977
   46   2HH1  ARG   6          HH12      ARG   6   5.211   3.852  -8.616
   47   1HH2  ARG   6          HH21      ARG   6   5.334   1.980  -5.700
   48   2HH2  ARG   6          HH22      ARG   6   5.907   2.129  -7.328
   49    H    VAL   7           HN       VAL   7   5.628   2.579  -1.521
   50    HA   VAL   7           HA       VAL   7   5.303   1.035   0.734
   51    HB   VAL   7           HB       VAL   7   7.553   2.271   1.439
   52   1HG1  VAL   7          HG11      VAL   7   8.045   1.036  -1.142
   53   2HG1  VAL   7          HG12      VAL   7   6.861   0.117  -0.215
   54   3HG1  VAL   7          HG13      VAL   7   8.451   0.450   0.472
   55   1HG2  VAL   7          HG21      VAL   7   7.815   2.946  -1.415
   56   2HG2  VAL   7          HG22      VAL   7   8.374   3.833   0.003
   57   3HG2  VAL   7          HG23      VAL   7   6.704   3.999  -0.540
   58    H    LYS   8           HN       LYS   8   6.518   4.261   1.413
   59    HA   LYS   8           HA       LYS   8   5.820   4.628   3.981
   60   1HB   LYS   8          HB2       LYS   8   5.496   6.601   1.706
   61   2HB   LYS   8          HB1       LYS   8   5.600   7.054   3.405
   62   1HG   LYS   8          HG2       LYS   8   7.741   5.479   1.942
   63   2HG   LYS   8          HG1       LYS   8   7.788   7.224   2.177
   64   1HD   LYS   8          HD2       LYS   8   8.069   7.037   4.492
   65   2HD   LYS   8          HD1       LYS   8   7.408   5.403   4.540
   66   1HE   LYS   8          HE2       LYS   8   9.718   5.442   2.808
   67   2HE   LYS   8          HE1       LYS   8  10.142   6.115   4.395
   68   1HZ   LYS   8          HZ1       LYS   8   9.249   4.237   5.486
   69   2HZ   LYS   8          HZ2       LYS   8  10.222   3.621   4.237
   70   3HZ   LYS   8          HZ3       LYS   8   8.532   3.646   4.067
   71    H    GLU   9           HN       GLU   9   3.523   4.584   1.315
   72    HA   GLU   9           HA       GLU   9   1.310   5.686   2.884
   73   1HB   GLU   9          HB2       GLU   9   1.966   5.059   0.179
   74   2HB   GLU   9          HB1       GLU   9   0.487   4.186   0.580
   75   1HG   GLU   9          HG2       GLU   9   0.648   7.003   1.512
   76   2HG   GLU   9          HG1       GLU   9   0.483   6.763  -0.228
   77    H    ALA  10           HN       ALA  10  -0.148   4.611   4.050
   78    HA   ALA  10           HA       ALA  10   0.266   1.739   4.574
   79   1HB   ALA  10          HB1       ALA  10  -1.912   3.106   5.934
   80   2HB   ALA  10          HB2       ALA  10  -0.426   4.056   5.975
   81   3HB   ALA  10          HB3       ALA  10  -0.439   2.410   6.612
   82    H    CYS  11           HN       CYS  11  -1.110   0.151   3.814
   83    HA   CYS  11           HA       CYS  11  -3.574   1.063   2.369
   84   1HB   CYS  11          HB2       CYS  11  -3.099  -0.555   0.760
   85   2HB   CYS  11          HB1       CYS  11  -1.472  -0.120   1.272
   86    H    GLY  12           HN       GLY  12  -4.785  -1.462   2.134
   87   1HA   GLY  12          HA2       GLY  12  -5.121  -2.463   4.912
   88   2HA   GLY  12          HA1       GLY  12  -6.547  -1.838   4.080
   89    HA   PRO  13           HA       PRO  13  -6.280  -6.298   3.051
   90   1HB   PRO  13          HB2       PRO  13  -8.972  -6.746   3.279
   91   2HB   PRO  13          HB1       PRO  13  -7.860  -6.819   4.660
   92   1HG   PRO  13          HG2       PRO  13  -9.707  -4.639   3.830
   93   2HG   PRO  13          HG1       PRO  13  -9.298  -5.215   5.453
   94   1HD   PRO  13          HD2       PRO  13  -8.248  -2.952   4.347
   95   2HD   PRO  13          HD1       PRO  13  -7.414  -3.923   5.580
   96    H    TRP  14           HN       TRP  14  -9.514  -5.400   2.090
   97    HA   TRP  14           HA       TRP  14  -8.782  -5.732  -0.748
   98   1HB   TRP  14          HB2       TRP  14 -11.095  -6.078  -1.034
   99   2HB   TRP  14          HB1       TRP  14 -10.823  -6.662   0.606
  100    HD1  TRP  14           HD1      TRP  14 -10.800  -4.101   2.286
  101    HE1  TRP  14           HE1      TRP  14 -12.887  -2.612   2.517
  102    HE3  TRP  14           HE3      TRP  14 -13.378  -5.535  -1.889
  103    HZ2  TRP  14           HZ2      TRP  14 -15.325  -2.093   1.122
  104    HZ3  TRP  14           HZ3      TRP  14 -15.579  -4.522  -2.410
  105    HH2  TRP  14           HH2      TRP  14 -16.555  -2.805  -0.910
  106    H    GLU  15           HN       GLU  15  -8.719  -3.177   1.366
  107    HA   GLU  15           HA       GLU  15  -9.938  -1.106  -0.304
  108   1HB   GLU  15          HB2       GLU  15  -9.486  -1.346   2.305
  109   2HB   GLU  15          HB1       GLU  15  -7.948  -0.596   1.884
  110   1HG   GLU  15          HG2       GLU  15  -9.720   1.060   2.529
  111   2HG   GLU  15          HG1       GLU  15  -9.086   1.314   0.904
  112    H    TRP  16           HN       TRP  16  -8.403   0.881  -0.760
  113    HA   TRP  16           HA       TRP  16  -6.736   0.553  -2.870
  114   1HB   TRP  16          HB2       TRP  16  -5.661   2.627  -2.161
  115   2HB   TRP  16          HB1       TRP  16  -7.374   2.674  -1.757
  116    HD1  TRP  16           HD1      TRP  16  -6.751   0.613   0.864
  117    HE1  TRP  16           HE1      TRP  16  -5.887   1.765   2.997
  118    HE3  TRP  16           HE3      TRP  16  -5.095   5.005  -1.126
  119    HZ2  TRP  16           HZ2      TRP  16  -4.655   4.231   3.763
  120    HZ3  TRP  16           HZ3      TRP  16  -4.081   6.744   0.326
  121    HH2  TRP  16           HH2      TRP  16  -3.859   6.361   2.766
  122    HA   PRO  17           HA       PRO  17  -3.674  -2.120  -0.831
  123   1HB   PRO  17          HB2       PRO  17  -3.001  -3.473  -3.112
  124   2HB   PRO  17          HB1       PRO  17  -4.404  -3.904  -2.113
  125   1HG   PRO  17          HG2       PRO  17  -4.293  -2.403  -4.675
  126   2HG   PRO  17          HG1       PRO  17  -5.507  -3.550  -4.087
  127   1HD   PRO  17          HD2       PRO  17  -5.813  -0.820  -4.062
  128   2HD   PRO  17          HD1       PRO  17  -6.676  -1.936  -2.984
  129    H    CYS  18           HN       CYS  18  -1.331  -2.706  -2.082
  130    HA   CYS  18           HA       CYS  18  -0.221  -0.009  -2.718
  131   1HB   CYS  18          HB2       CYS  18   1.225  -2.585  -2.043
  132   2HB   CYS  18          HB1       CYS  18   1.850  -0.940  -1.927
  133    H    CYS  19           HN       CYS  19   0.833   0.361  -4.681
  134    HA   CYS  19           HA       CYS  19   0.178  -0.888  -7.044
  135   1HB   CYS  19          HB2       CYS  19   2.411   0.737  -6.014
  136   2HB   CYS  19          HB1       CYS  19   2.801  -0.174  -7.472
  137    H    SER  20           HN       SER  20   1.237  -2.495  -8.393
  138    HA   SER  20           HA       SER  20   1.943  -4.923  -7.093
  139   1HB   SER  20          HB2       SER  20   1.152  -5.062  -9.298
  140   2HB   SER  20          HB1       SER  20   2.201  -3.763  -9.857
  141    HG   SER  20           HG       SER  20   2.756  -6.087 -10.343
  142    H    GLY  21           HN       GLY  21   3.800  -5.362  -5.988
  143   1HA   GLY  21          HA2       GLY  21   6.299  -5.659  -6.386
  144   2HA   GLY  21          HA1       GLY  21   6.300  -3.952  -6.832
  145    H    LEU  22           HN       LEU  22   4.064  -4.183  -4.436
  146    HA   LEU  22           HA       LEU  22   6.109  -3.605  -2.319
  147   1HB   LEU  22          HB2       LEU  22   3.347  -2.462  -2.845
  148   2HB   LEU  22          HB1       LEU  22   4.333  -2.064  -1.439
  149    HG   LEU  22           HG       LEU  22   5.640  -1.802  -4.099
  150   1HD1  LEU  22          HD11      LEU  22   4.653   0.513  -4.319
  151   2HD1  LEU  22          HD12      LEU  22   3.476   0.062  -3.086
  152   3HD1  LEU  22          HD13      LEU  22   3.510  -0.794  -4.627
  153   1HD2  LEU  22          HD21      LEU  22   5.566  -0.038  -1.629
  154   2HD2  LEU  22          HD22      LEU  22   6.686   0.106  -2.983
  155   3HD2  LEU  22          HD23      LEU  22   6.761  -1.300  -1.923
  156    H    LYS  23           HN       LYS  23   5.254  -4.060  -0.062
  157    HA   LYS  23           HA       LYS  23   3.208  -6.245  -0.013
  158   1HB   LYS  23          HB2       LYS  23   5.971  -6.570   0.130
  159   2HB   LYS  23          HB1       LYS  23   5.461  -6.610   1.819
  160   1HG   LYS  23          HG2       LYS  23   4.100  -8.237  -0.336
  161   2HG   LYS  23          HG1       LYS  23   5.446  -8.855   0.621
  162   1HD   LYS  23          HD2       LYS  23   4.194  -8.552   2.679
  163   2HD   LYS  23          HD1       LYS  23   2.878  -7.763   1.807
  164   1HE   LYS  23          HE2       LYS  23   2.598  -9.905   0.472
  165   2HE   LYS  23          HE1       LYS  23   3.737 -10.668   1.601
  166   1HZ   LYS  23          HZ1       LYS  23   1.147 -10.563   2.093
  167   2HZ   LYS  23          HZ2       LYS  23   1.589  -9.059   2.749
  168   3HZ   LYS  23          HZ3       LYS  23   2.303 -10.486   3.332
  169    H    CYS  24           HN       CYS  24   1.668  -4.973   1.116
  170    HA   CYS  24           HA       CYS  24   2.179  -3.152   3.231
  171   1HB   CYS  24          HB2       CYS  24  -0.022  -4.487   1.945
  172   2HB   CYS  24          HB1       CYS  24  -0.272  -4.526   3.690
  173    H    ASP  25           HN       ASP  25   3.696  -3.968   4.767
  174    HA   ASP  25           HA       ASP  25   3.353  -6.623   5.950
  175   1HB   ASP  25          HB2       ASP  25   5.542  -5.568   5.629
  176   2HB   ASP  25          HB1       ASP  25   5.065  -4.222   6.663
  177    H    GLY  26           HN       GLY  26   3.969  -4.002   8.157
  178   1HA   GLY  26          HA2       GLY  26   1.746  -4.872   9.843
  179   2HA   GLY  26          HA1       GLY  26   2.906  -3.600  10.231
  180    H    SER  27           HN       SER  27   2.502  -2.044   7.840
  181    HA   SER  27           HA       SER  27  -0.356  -1.371   7.699
  182   1HB   SER  27          HB2       SER  27   0.443  -0.409   9.858
  183   2HB   SER  27          HB1       SER  27   1.658   0.508   8.972
  184    HG   SER  27           HG       SER  27  -0.889   1.120   9.416
  185    H    GLU  28           HN       GLU  28   2.877   0.052   7.212
  186    HA   GLU  28           HA       GLU  28   2.074   1.379   4.728
  187   1HB   GLU  28          HB2       GLU  28   4.739   0.904   6.107
  188   2HB   GLU  28          HB1       GLU  28   4.499   1.996   4.743
  189   1HG   GLU  28          HG2       GLU  28   3.682   3.617   6.083
  190   2HG   GLU  28          HG1       GLU  28   2.558   2.497   6.854
  191    H    CYS  29           HN       CYS  29   3.001   0.827   2.615
  192    HA   CYS  29           HA       CYS  29   3.196  -2.056   2.180
  193   1HB   CYS  29          HB2       CYS  29   3.820   0.170   0.227
  194   2HB   CYS  29          HB1       CYS  29   3.198  -1.437  -0.126
  195    H    HIS  30           HN       HIS  30   5.111  -3.208   1.604
  196    HA   HIS  30           HA       HIS  30   7.619  -1.759   2.302
  197   1HB   HIS  30          HB2       HIS  30   6.579  -4.540   2.537
  198   2HB   HIS  30          HB1       HIS  30   8.324  -4.332   2.361
  199    HD1  HIS  30           HD1      HIS  30   9.562  -2.950   4.220
  200    HD2  HIS  30           HD2      HIS  30   5.515  -3.581   4.977
  201    HE1  HIS  30           HE1      HIS  30   9.178  -2.320   6.644
  202    HA   PRO  31           HA       PRO  31   9.196  -2.273  -1.760
  203   1HB   PRO  31          HB2       PRO  31  11.863  -2.582  -1.269
  204   2HB   PRO  31          HB1       PRO  31  11.014  -1.042  -1.039
  205   1HG   PRO  31          HG2       PRO  31  11.938  -3.005   0.968
  206   2HG   PRO  31          HG1       PRO  31  11.770  -1.249   1.094
  207   1HD   PRO  31          HD2       PRO  31  10.001  -3.143   2.128
  208   2HD   PRO  31          HD1       PRO  31   9.666  -1.413   1.905
  209    H    GLN  32           HN       GLN  32   8.132  -4.764  -0.772
  210    HA   GLN  32           HA       GLN  32   9.792  -6.649  -2.321
  211   1HB   GLN  32          HB2       GLN  32   9.894  -6.393   0.552
  212   2HB   GLN  32          HB1       GLN  32   9.247  -7.977   0.124
  213   1HG   GLN  32          HG2       GLN  32  11.164  -8.435  -1.295
  214   2HG   GLN  32          HG1       GLN  32  11.783  -6.802  -1.048
  215   1HE2  GLN  32          HE21      GLN  32  13.756  -8.038  -0.185
  216   2HE2  GLN  32          HE22      GLN  32  13.735  -8.520   1.442
  Start of MODEL    5
    1   1H    TRP   1           HT1      TRP   1  -4.022  -0.161 -16.633
    2   2H    TRP   1           HT2      TRP   1  -2.825   0.689 -15.777
    3   3H    TRP   1           HT3      TRP   1  -4.259   1.473 -16.243
    4    HA   TRP   1           HA       TRP   1  -5.511  -0.120 -14.791
    5   1HB   TRP   1          HB2       TRP   1  -2.795  -1.142 -14.758
    6   2HB   TRP   1          HB1       TRP   1  -3.368  -0.856 -13.115
    7    HD1  TRP   1           HD1      TRP   1  -4.659  -2.529 -16.360
    8    HE1  TRP   1           HE1      TRP   1  -6.067  -4.584 -15.693
    9    HE3  TRP   1           HE3      TRP   1  -4.460  -2.122 -11.273
   10    HZ2  TRP   1           HZ2      TRP   1  -6.987  -5.882 -13.317
   11    HZ3  TRP   1           HZ3      TRP   1  -5.611  -3.778  -9.834
   12    HH2  TRP   1           HH2      TRP   1  -6.873  -5.657 -10.848
   13    H    LEU   2           HN       LEU   2  -6.353   1.204 -13.232
   14    HA   LEU   2           HA       LEU   2  -4.548   3.270 -12.015
   15   1HB   LEU   2          HB2       LEU   2  -7.561   3.367 -12.270
   16   2HB   LEU   2          HB1       LEU   2  -6.449   4.712 -12.017
   17    HG   LEU   2           HG       LEU   2  -6.474   2.988 -14.510
   18   1HD1  LEU   2          HD11      LEU   2  -7.472   5.828 -14.303
   19   2HD1  LEU   2          HD12      LEU   2  -8.552   4.458 -14.040
   20   3HD1  LEU   2          HD13      LEU   2  -7.744   4.658 -15.596
   21   1HD2  LEU   2          HD21      LEU   2  -4.831   5.231 -13.476
   22   2HD2  LEU   2          HD22      LEU   2  -5.317   5.360 -15.166
   23   3HD2  LEU   2          HD23      LEU   2  -4.403   3.956 -14.615
   24    H    GLY   3           HN       GLY   3  -4.322   3.177  -9.810
   25   1HA   GLY   3          HA2       GLY   3  -5.768   2.891  -7.675
   26   2HA   GLY   3          HA1       GLY   3  -6.091   1.282  -8.328
   27    H    CYS   4           HN       CYS   4  -3.394   3.408  -7.374
   28    HA   CYS   4           HA       CYS   4  -1.952   0.962  -6.418
   29   1HB   CYS   4          HB2       CYS   4  -0.932   1.482  -8.492
   30   2HB   CYS   4          HB1       CYS   4  -1.055   3.219  -8.214
   31    H    ALA   5           HN       ALA   5  -0.750   1.293  -4.511
   32    HA   ALA   5           HA       ALA   5  -1.302   3.850  -3.078
   33   1HB   ALA   5          HB1       ALA   5  -0.998   2.536  -1.106
   34   2HB   ALA   5          HB2       ALA   5  -0.153   1.269  -1.996
   35   3HB   ALA   5          HB3       ALA   5  -1.887   1.497  -2.221
   36    H    ARG   6           HN       ARG   6   0.863   3.439  -1.202
   37    HA   ARG   6           HA       ARG   6   3.353   3.583  -2.809
   38   1HB   ARG   6          HB2       ARG   6   2.178   5.850  -1.162
   39   2HB   ARG   6          HB1       ARG   6   3.818   5.849  -1.812
   40   1HG   ARG   6          HG2       ARG   6   2.905   5.617  -4.101
   41   2HG   ARG   6          HG1       ARG   6   1.269   5.654  -3.443
   42   1HD   ARG   6          HD2       ARG   6   2.813   7.899  -2.436
   43   2HD   ARG   6          HD1       ARG   6   2.790   7.886  -4.211
   44    HE   ARG   6           HE       ARG   6   0.421   8.110  -2.458
   45   1HH1  ARG   6          HH11      ARG   6   1.601   7.077  -5.512
   46   2HH1  ARG   6          HH12      ARG   6   0.223   7.645  -6.393
   47   1HH2  ARG   6          HH21      ARG   6  -1.307   9.052  -3.617
   48   2HH2  ARG   6          HH22      ARG   6  -1.424   8.763  -5.320
   49    H    VAL   7           HN       VAL   7   5.200   3.131  -1.500
   50    HA   VAL   7           HA       VAL   7   5.005   1.514   0.735
   51    HB   VAL   7           HB       VAL   7   7.329   2.621   1.291
   52   1HG1  VAL   7          HG11      VAL   7   8.342   1.265  -0.397
   53   2HG1  VAL   7          HG12      VAL   7   6.943   1.423  -1.458
   54   3HG1  VAL   7          HG13      VAL   7   6.826   0.467   0.020
   55   1HG2  VAL   7          HG21      VAL   7   7.106   3.618  -1.526
   56   2HG2  VAL   7          HG22      VAL   7   8.189   4.143  -0.237
   57   3HG2  VAL   7          HG23      VAL   7   6.498   4.637  -0.222
   58    H    LYS   8           HN       LYS   8   4.938   5.048   0.694
   59    HA   LYS   8           HA       LYS   8   4.870   5.244   3.572
   60   1HB   LYS   8          HB2       LYS   8   4.710   7.136   1.241
   61   2HB   LYS   8          HB1       LYS   8   4.467   7.706   2.894
   62   1HG   LYS   8          HG2       LYS   8   6.679   7.628   3.332
   63   2HG   LYS   8          HG1       LYS   8   6.808   5.989   2.694
   64   1HD   LYS   8          HD2       LYS   8   8.054   6.994   1.069
   65   2HD   LYS   8          HD1       LYS   8   6.477   7.387   0.385
   66   1HE   LYS   8          HE2       LYS   8   7.113   9.350   2.390
   67   2HE   LYS   8          HE1       LYS   8   8.472   9.216   1.258
   68   1HZ   LYS   8          HZ1       LYS   8   5.670   9.275   0.315
   69   2HZ   LYS   8          HZ2       LYS   8   7.090   9.577  -0.569
   70   3HZ   LYS   8          HZ3       LYS   8   6.539  10.709   0.573
   71    H    GLU   9           HN       GLU   9   2.706   3.674   2.432
   72    HA   GLU   9           HA       GLU   9   0.379   5.360   3.288
   73   1HB   GLU   9          HB2       GLU   9   1.008   4.413   0.686
   74   2HB   GLU   9          HB1       GLU   9  -0.326   3.418   1.269
   75   1HG   GLU   9          HG2       GLU   9  -0.720   6.221   1.941
   76   2HG   GLU   9          HG1       GLU   9  -0.527   5.994   0.203
   77    H    ALA  10           HN       ALA  10  -1.168   4.268   4.433
   78    HA   ALA  10           HA       ALA  10  -0.351   1.697   5.607
   79   1HB   ALA  10          HB1       ALA  10  -1.835   4.069   6.252
   80   2HB   ALA  10          HB2       ALA  10  -1.282   2.794   7.338
   81   3HB   ALA  10          HB3       ALA  10  -2.852   2.658   6.545
   82    H    CYS  11           HN       CYS  11  -0.782   0.164   3.900
   83    HA   CYS  11           HA       CYS  11  -3.644  -0.031   3.043
   84   1HB   CYS  11          HB2       CYS  11  -2.839  -0.724   0.991
   85   2HB   CYS  11          HB1       CYS  11  -1.445   0.211   1.515
   86    H    GLY  12           HN       GLY  12  -4.808  -1.819   3.711
   87   1HA   GLY  12          HA2       GLY  12  -3.281  -4.168   4.739
   88   2HA   GLY  12          HA1       GLY  12  -4.525  -3.440   5.755
   89    HA   PRO  13           HA       PRO  13  -7.580  -5.894   3.850
   90   1HB   PRO  13          HB2       PRO  13  -9.719  -4.175   3.785
   91   2HB   PRO  13          HB1       PRO  13  -9.118  -4.916   5.280
   92   1HG   PRO  13          HG2       PRO  13  -8.631  -2.185   4.194
   93   2HG   PRO  13          HG1       PRO  13  -8.945  -2.697   5.861
   94   1HD   PRO  13          HD2       PRO  13  -6.461  -2.109   4.949
   95   2HD   PRO  13          HD1       PRO  13  -6.760  -3.310   6.225
   96    H    TRP  14           HN       TRP  14  -9.697  -4.874   2.119
   97    HA   TRP  14           HA       TRP  14  -8.187  -4.708  -0.388
   98   1HB   TRP  14          HB2       TRP  14 -10.366  -5.025  -1.366
   99   2HB   TRP  14          HB1       TRP  14 -10.304  -6.032   0.080
  100    HD1  TRP  14           HD1      TRP  14 -11.588  -5.107   2.272
  101    HE1  TRP  14           HE1      TRP  14 -13.632  -3.550   2.482
  102    HE3  TRP  14           HE3      TRP  14 -11.602  -3.036  -2.395
  103    HZ2  TRP  14           HZ2      TRP  14 -15.081  -1.674   0.881
  104    HZ3  TRP  14           HZ3      TRP  14 -13.323  -1.369  -3.026
  105    HH2  TRP  14           HH2      TRP  14 -15.061  -0.686  -1.395
  106    H    GLU  15           HN       GLU  15  -7.754  -2.392   1.275
  107    HA   GLU  15           HA       GLU  15  -9.434  -0.229   0.158
  108   1HB   GLU  15          HB2       GLU  15  -8.135   1.127   1.762
  109   2HB   GLU  15          HB1       GLU  15  -8.758  -0.324   2.549
  110   1HG   GLU  15          HG2       GLU  15  -6.641  -1.407   2.464
  111   2HG   GLU  15          HG1       GLU  15  -6.001  -0.229   1.319
  112    H    TRP  16           HN       TRP  16  -6.880   1.496   0.422
  113    HA   TRP  16           HA       TRP  16  -6.225   1.845  -2.274
  114   1HB   TRP  16          HB2       TRP  16  -4.392   2.139   0.128
  115   2HB   TRP  16          HB1       TRP  16  -4.283   3.033  -1.388
  116    HD1  TRP  16           HD1      TRP  16  -5.188   3.848   1.859
  117    HE1  TRP  16           HE1      TRP  16  -7.153   5.509   2.020
  118    HE3  TRP  16           HE3      TRP  16  -7.121   3.389  -2.845
  119    HZ2  TRP  16           HZ2      TRP  16  -9.265   6.512   0.371
  120    HZ3  TRP  16           HZ3      TRP  16  -9.107   4.707  -3.523
  121    HH2  TRP  16           HH2      TRP  16 -10.181   6.266  -1.923
  122    HA   PRO  17           HA       PRO  17  -4.184  -2.154  -2.770
  123   1HB   PRO  17          HB2       PRO  17  -4.183  -2.054  -5.509
  124   2HB   PRO  17          HB1       PRO  17  -5.592  -2.562  -4.556
  125   1HG   PRO  17          HG2       PRO  17  -5.024   0.067  -5.834
  126   2HG   PRO  17          HG1       PRO  17  -6.548  -0.826  -5.720
  127   1HD   PRO  17          HD2       PRO  17  -5.945   1.287  -4.123
  128   2HD   PRO  17          HD1       PRO  17  -7.000  -0.048  -3.611
  129    H    CYS  18           HN       CYS  18  -1.992  -2.266  -2.569
  130    HA   CYS  18           HA       CYS  18  -0.256  -0.053  -3.320
  131   1HB   CYS  18          HB2       CYS  18  -0.237  -1.962  -1.426
  132   2HB   CYS  18          HB1       CYS  18   0.793  -2.755  -2.620
  133    H    CYS  19           HN       CYS  19   1.132   0.068  -5.084
  134    HA   CYS  19           HA       CYS  19   0.632  -1.180  -7.525
  135   1HB   CYS  19          HB2       CYS  19   2.856   0.252  -6.204
  136   2HB   CYS  19          HB1       CYS  19   3.336  -0.726  -7.590
  137    H    SER  20           HN       SER  20   2.159  -2.760  -8.681
  138    HA   SER  20           HA       SER  20   2.323  -5.242  -7.167
  139   1HB   SER  20          HB2       SER  20   3.605  -4.700  -9.840
  140   2HB   SER  20          HB1       SER  20   2.807  -6.167  -9.279
  141    HG   SER  20           HG       SER  20   0.904  -5.315  -9.725
  142    H    GLY  21           HN       GLY  21   4.130  -6.096  -6.164
  143   1HA   GLY  21          HA2       GLY  21   6.573  -6.428  -6.098
  144   2HA   GLY  21          HA1       GLY  21   6.759  -4.772  -6.675
  145    H    LEU  22           HN       LEU  22   4.298  -4.518  -4.575
  146    HA   LEU  22           HA       LEU  22   6.120  -4.034  -2.237
  147   1HB   LEU  22          HB2       LEU  22   3.892  -2.488  -3.534
  148   2HB   LEU  22          HB1       LEU  22   4.194  -2.270  -1.810
  149    HG   LEU  22           HG       LEU  22   6.676  -2.246  -3.319
  150   1HD1  LEU  22          HD11      LEU  22   6.265  -0.760  -4.971
  151   2HD1  LEU  22          HD12      LEU  22   5.297   0.261  -3.907
  152   3HD1  LEU  22          HD13      LEU  22   4.555  -1.115  -4.725
  153   1HD2  LEU  22          HD21      LEU  22   5.847  -1.306  -0.951
  154   2HD2  LEU  22          HD22      LEU  22   5.559   0.143  -1.914
  155   3HD2  LEU  22          HD23      LEU  22   7.179  -0.551  -1.829
  156    H    LYS  23           HN       LYS  23   5.021  -4.271  -0.111
  157    HA   LYS  23           HA       LYS  23   2.410  -5.639  -0.060
  158   1HB   LYS  23          HB2       LYS  23   3.891  -7.462  -0.617
  159   2HB   LYS  23          HB1       LYS  23   5.053  -6.962   0.612
  160   1HG   LYS  23          HG2       LYS  23   3.928  -8.692   1.702
  161   2HG   LYS  23          HG1       LYS  23   3.030  -7.280   2.258
  162   1HD   LYS  23          HD2       LYS  23   1.636  -7.781   0.022
  163   2HD   LYS  23          HD1       LYS  23   2.209  -9.417   0.348
  164   1HE   LYS  23          HE2       LYS  23   1.030  -9.580   2.351
  165   2HE   LYS  23          HE1       LYS  23   1.028  -7.824   2.608
  166   1HZ   LYS  23          HZ1       LYS  23  -1.070  -8.071   1.796
  167   2HZ   LYS  23          HZ2       LYS  23  -0.686  -9.450   0.879
  168   3HZ   LYS  23          HZ3       LYS  23  -0.250  -7.905   0.321
  169    H    CYS  24           HN       CYS  24   1.483  -4.465   1.586
  170    HA   CYS  24           HA       CYS  24   2.826  -3.057   3.646
  171   1HB   CYS  24          HB2       CYS  24   0.071  -4.194   3.220
  172   2HB   CYS  24          HB1       CYS  24   0.463  -3.418   4.754
  173    H    ASP  25           HN       ASP  25   4.327  -4.207   4.890
  174    HA   ASP  25           HA       ASP  25   3.695  -6.900   5.898
  175   1HB   ASP  25          HB2       ASP  25   5.971  -5.391   5.275
  176   2HB   ASP  25          HB1       ASP  25   6.018  -5.555   7.031
  177    H    GLY  26           HN       GLY  26   1.778  -5.127   6.858
  178   1HA   GLY  26          HA2       GLY  26   1.263  -5.524   9.413
  179   2HA   GLY  26          HA1       GLY  26   2.624  -4.420   9.618
  180    H    SER  27           HN       SER  27   2.231  -2.538   7.691
  181    HA   SER  27           HA       SER  27  -0.557  -1.608   7.691
  182   1HB   SER  27          HB2       SER  27   1.505  -0.740   9.626
  183   2HB   SER  27          HB1       SER  27   0.603   0.567   8.867
  184    HG   SER  27           HG       SER  27  -1.300  -0.834   9.423
  185    H    GLU  28           HN       GLU  28   2.744  -0.255   7.466
  186    HA   GLU  28           HA       GLU  28   2.028   1.423   5.178
  187   1HB   GLU  28          HB2       GLU  28   4.706   0.722   6.423
  188   2HB   GLU  28          HB1       GLU  28   4.377   2.101   5.373
  189   1HG   GLU  28          HG2       GLU  28   2.974   3.133   6.999
  190   2HG   GLU  28          HG1       GLU  28   2.888   1.660   7.965
  191    H    CYS  29           HN       CYS  29   2.823   1.139   3.018
  192    HA   CYS  29           HA       CYS  29   3.027  -1.591   2.090
  193   1HB   CYS  29          HB2       CYS  29   3.056   1.173   1.025
  194   2HB   CYS  29          HB1       CYS  29   3.879  -0.024   0.024
  195    H    HIS  30           HN       HIS  30   4.849  -2.831   2.295
  196    HA   HIS  30           HA       HIS  30   7.487  -1.511   2.637
  197   1HB   HIS  30          HB2       HIS  30   6.366  -4.297   2.996
  198   2HB   HIS  30          HB1       HIS  30   8.094  -3.965   3.130
  199    HD1  HIS  30           HD1      HIS  30   7.992  -4.535   5.700
  200    HD2  HIS  30           HD2      HIS  30   5.678  -1.259   4.569
  201    HE1  HIS  30           HE1      HIS  30   7.367  -3.327   7.837
  202    HA   PRO  31           HA       PRO  31   8.887  -2.673  -1.371
  203   1HB   PRO  31          HB2       PRO  31  11.516  -3.244  -0.900
  204   2HB   PRO  31          HB1       PRO  31  10.863  -1.596  -0.830
  205   1HG   PRO  31          HG2       PRO  31  11.632  -3.414   1.365
  206   2HG   PRO  31          HG1       PRO  31  11.645  -1.647   1.299
  207   1HD   PRO  31          HD2       PRO  31   9.719  -3.243   2.558
  208   2HD   PRO  31          HD1       PRO  31   9.574  -1.512   2.193
  209    H    GLN  32           HN       GLN  32   7.549  -4.854  -0.116
  210    HA   GLN  32           HA       GLN  32   7.355  -7.203  -0.258
  211   1HB   GLN  32          HB2       GLN  32   7.928  -6.388  -2.634
  212   2HB   GLN  32          HB1       GLN  32   9.567  -6.948  -2.304
  213   1HG   GLN  32          HG2       GLN  32   8.407  -8.757  -3.392
  214   2HG   GLN  32          HG1       GLN  32   8.570  -9.193  -1.690
  215   1HE2  GLN  32          HE21      GLN  32   6.298  -8.782  -4.227
  216   2HE2  GLN  32          HE22      GLN  32   4.888  -8.844  -3.283
  Start of MODEL    6
    1   1H    TRP   1           HT1      TRP   1  -1.720  -1.763 -13.437
    2   2H    TRP   1           HT2      TRP   1  -3.235  -1.657 -14.199
    3   3H    TRP   1           HT3      TRP   1  -3.139  -1.860 -12.516
    4    HA   TRP   1           HA       TRP   1  -2.802   0.560 -14.115
    5   1HB   TRP   1          HB2       TRP   1  -4.648  -0.373 -12.430
    6   2HB   TRP   1          HB1       TRP   1  -3.571   0.354 -11.236
    7    HD1  TRP   1           HD1      TRP   1  -4.091   1.782 -14.753
    8    HE1  TRP   1           HE1      TRP   1  -5.145   4.126 -14.537
    9    HE3  TRP   1           HE3      TRP   1  -4.952   1.886  -9.734
   10    HZ2  TRP   1           HZ2      TRP   1  -6.216   5.822 -12.491
   11    HZ3  TRP   1           HZ3      TRP   1  -5.990   3.873  -8.670
   12    HH2  TRP   1           HH2      TRP   1  -6.623   5.839 -10.043
   13    H    LEU   2           HN       LEU   2  -1.224   2.096 -13.675
   14    HA   LEU   2           HA       LEU   2   1.057   1.245 -12.000
   15   1HB   LEU   2          HB2       LEU   2   0.498   3.551 -13.885
   16   2HB   LEU   2          HB1       LEU   2   2.031   3.350 -13.038
   17    HG   LEU   2           HG       LEU   2   1.967   0.929 -14.039
   18   1HD1  LEU   2          HD11      LEU   2   0.851   1.501 -16.480
   19   2HD1  LEU   2          HD12      LEU   2  -0.269   2.307 -15.381
   20   3HD1  LEU   2          HD13      LEU   2   0.047   0.581 -15.208
   21   1HD2  LEU   2          HD21      LEU   2   2.901   3.497 -15.042
   22   2HD2  LEU   2          HD22      LEU   2   2.593   2.368 -16.362
   23   3HD2  LEU   2          HD23      LEU   2   3.710   1.930 -15.069
   24    H    GLY   3           HN       GLY   3  -1.585   3.558 -11.922
   25   1HA   GLY   3          HA2       GLY   3  -0.463   5.228  -9.832
   26   2HA   GLY   3          HA1       GLY   3  -2.151   5.214 -10.343
   27    H    CYS   4           HN       CYS   4   0.053   4.178  -7.942
   28    HA   CYS   4           HA       CYS   4  -2.177   2.852  -6.477
   29   1HB   CYS   4          HB2       CYS   4  -0.496   0.999  -5.939
   30   2HB   CYS   4          HB1       CYS   4  -1.083   1.034  -7.602
   31    H    ALA   5           HN       ALA   5  -0.581   1.944  -4.324
   32    HA   ALA   5           HA       ALA   5  -0.024   4.485  -2.966
   33   1HB   ALA   5          HB1       ALA   5  -1.187   2.574  -1.905
   34   2HB   ALA   5          HB2       ALA   5   0.293   2.973  -1.034
   35   3HB   ALA   5          HB3       ALA   5   0.256   1.583  -2.118
   36    H    ARG   6           HN       ARG   6   2.093   3.619  -1.288
   37    HA   ARG   6           HA       ARG   6   4.392   2.952  -3.031
   38   1HB   ARG   6          HB2       ARG   6   4.041   5.590  -1.565
   39   2HB   ARG   6          HB1       ARG   6   5.522   5.085  -2.379
   40   1HG   ARG   6          HG2       ARG   6   4.133   4.825  -4.493
   41   2HG   ARG   6          HG1       ARG   6   2.824   5.637  -3.634
   42   1HD   ARG   6          HD2       ARG   6   5.249   7.148  -3.264
   43   2HD   ARG   6          HD1       ARG   6   4.990   6.864  -4.996
   44    HE   ARG   6           HE       ARG   6   2.866   7.982  -3.201
   45   1HH1  ARG   6          HH21      ARG   6   4.854   9.435  -5.214
   46   2HH1  ARG   6          HH22      ARG   6   3.726   9.819  -6.471
   47   1HH2  ARG   6          HH11      ARG   6   1.250   7.720  -5.251
   48   2HH2  ARG   6          HH12      ARG   6   1.686   8.848  -6.491
   49    H    VAL   7           HN       VAL   7   6.351   3.868  -1.153
   50    HA   VAL   7           HA       VAL   7   5.980   1.849   0.981
   51    HB   VAL   7           HB       VAL   7   8.379   2.205   1.300
   52   1HG1  VAL   7          HG11      VAL   7   7.277   1.098  -0.890
   53   2HG1  VAL   7          HG12      VAL   7   9.023   1.202  -0.664
   54   3HG1  VAL   7          HG13      VAL   7   8.192   2.392  -1.666
   55   1HG2  VAL   7          HG21      VAL   7   9.235   4.261   0.958
   56   2HG2  VAL   7          HG22      VAL   7   7.730   4.785   0.202
   57   3HG2  VAL   7          HG23      VAL   7   8.998   4.043  -0.777
   58    H    LYS   8           HN       LYS   8   4.208   3.564   1.717
   59    HA   LYS   8           HA       LYS   8   4.980   4.679   4.154
   60   1HB   LYS   8          HB2       LYS   8   5.888   6.146   1.938
   61   2HB   LYS   8          HB1       LYS   8   4.526   7.067   2.575
   62   1HG   LYS   8          HG2       LYS   8   5.973   6.220   4.832
   63   2HG   LYS   8          HG1       LYS   8   7.186   6.762   3.672
   64   1HD   LYS   8          HD2       LYS   8   4.726   8.380   4.383
   65   2HD   LYS   8          HD1       LYS   8   6.286   8.587   5.181
   66   1HE   LYS   8          HE2       LYS   8   7.261   9.559   3.324
   67   2HE   LYS   8          HE1       LYS   8   6.257   8.636   2.188
   68   1HZ   LYS   8          HZ1       LYS   8   5.353  10.862   3.938
   69   2HZ   LYS   8          HZ2       LYS   8   4.321   9.907   2.984
   70   3HZ   LYS   8          HZ3       LYS   8   5.486  10.901   2.248
   71    H    GLU   9           HN       GLU   9   2.743   4.570   1.485
   72    HA   GLU   9           HA       GLU   9   0.604   6.037   2.842
   73   1HB   GLU   9          HB2       GLU   9   1.140   4.653   0.286
   74   2HB   GLU   9          HB1       GLU   9  -0.538   4.562   0.824
   75   1HG   GLU   9          HG2       GLU   9   0.019   7.185   1.327
   76   2HG   GLU   9          HG1       GLU   9   1.021   6.899  -0.095
   77    H    ALA  10           HN       ALA  10  -0.772   5.237   4.260
   78    HA   ALA  10           HA       ALA  10  -0.551   2.618   5.378
   79   1HB   ALA  10          HB1       ALA  10  -3.049   4.197   5.634
   80   2HB   ALA  10          HB2       ALA  10  -1.556   5.039   6.044
   81   3HB   ALA  10          HB3       ALA  10  -1.994   3.555   6.892
   82    H    CYS  11           HN       CYS  11  -0.966   0.924   3.916
   83    HA   CYS  11           HA       CYS  11  -3.636   0.957   2.555
   84   1HB   CYS  11          HB2       CYS  11  -2.393   0.518   0.715
   85   2HB   CYS  11          HB1       CYS  11  -0.932   0.464   1.688
   86    H    GLY  12           HN       GLY  12  -4.999  -0.824   2.903
   87   1HA   GLY  12          HA2       GLY  12  -4.015  -2.839   4.888
   88   2HA   GLY  12          HA1       GLY  12  -5.672  -2.232   4.877
   89    HA   PRO  13           HA       PRO  13  -5.399  -6.107   2.320
   90   1HB   PRO  13          HB2       PRO  13  -7.291  -7.506   3.716
   91   2HB   PRO  13          HB1       PRO  13  -5.567  -7.529   4.136
   92   1HG   PRO  13          HG2       PRO  13  -7.795  -5.994   5.374
   93   2HG   PRO  13          HG1       PRO  13  -6.403  -6.779   6.137
   94   1HD   PRO  13          HD2       PRO  13  -6.560  -4.093   5.686
   95   2HD   PRO  13          HD1       PRO  13  -5.027  -4.989   5.771
   96    H    TRP  14           HN       TRP  14  -8.398  -4.965   3.894
   97    HA   TRP  14           HA       TRP  14  -9.878  -5.288   1.352
   98   1HB   TRP  14          HB2       TRP  14 -11.795  -5.098   2.744
   99   2HB   TRP  14          HB1       TRP  14 -10.619  -5.948   3.742
  100    HD1  TRP  14           HD1      TRP  14  -9.167  -4.329   5.471
  101    HE1  TRP  14           HE1      TRP  14  -9.981  -2.286   6.817
  102    HE3  TRP  14           HE3      TRP  14 -13.387  -3.167   2.842
  103    HZ2  TRP  14           HZ2      TRP  14 -12.137  -0.407   6.782
  104    HZ3  TRP  14           HZ3      TRP  14 -14.802  -1.247   3.519
  105    HH2  TRP  14           HH2      TRP  14 -14.183   0.132   5.483
  106    H    GLU  15           HN       GLU  15  -7.792  -3.046   2.141
  107    HA   GLU  15           HA       GLU  15  -9.547  -0.706   1.481
  108   1HB   GLU  15          HB2       GLU  15  -8.396  -0.553   3.619
  109   2HB   GLU  15          HB1       GLU  15  -6.857  -0.966   2.863
  110   1HG   GLU  15          HG2       GLU  15  -7.019   1.107   1.482
  111   2HG   GLU  15          HG1       GLU  15  -8.498   1.532   2.343
  112    H    TRP  16           HN       TRP  16  -6.070  -0.591   1.176
  113    HA   TRP  16           HA       TRP  16  -6.382  -0.325  -1.786
  114   1HB   TRP  16          HB2       TRP  16  -5.564   1.541  -0.147
  115   2HB   TRP  16          HB1       TRP  16  -4.059   0.623  -0.116
  116    HD1  TRP  16           HD1      TRP  16  -2.498   0.785  -2.145
  117    HE1  TRP  16           HE1      TRP  16  -2.565   2.080  -4.378
  118    HE3  TRP  16           HE3      TRP  16  -7.313   2.464  -2.036
  119    HZ2  TRP  16           HZ2      TRP  16  -4.426   3.623  -5.913
  120    HZ3  TRP  16           HZ3      TRP  16  -8.210   3.840  -3.890
  121    HH2  TRP  16           HH2      TRP  16  -6.775   4.423  -5.827
  122    HA   PRO  17           HA       PRO  17  -4.036  -4.094  -1.935
  123   1HB   PRO  17          HB2       PRO  17  -3.722  -4.170  -4.650
  124   2HB   PRO  17          HB1       PRO  17  -5.245  -4.595  -3.842
  125   1HG   PRO  17          HG2       PRO  17  -4.475  -2.077  -5.225
  126   2HG   PRO  17          HG1       PRO  17  -6.027  -2.926  -5.209
  127   1HD   PRO  17          HD2       PRO  17  -5.495  -0.706  -3.706
  128   2HD   PRO  17          HD1       PRO  17  -6.690  -1.943  -3.254
  129    H    CYS  18           HN       CYS  18  -2.983  -0.971  -2.961
  130    HA   CYS  18           HA       CYS  18  -0.784  -0.070  -3.014
  131   1HB   CYS  18          HB2       CYS  18  -0.646  -1.967  -1.178
  132   2HB   CYS  18          HB1       CYS  18   0.278  -2.818  -2.415
  133    H    CYS  19           HN       CYS  19   1.381  -0.551  -4.243
  134    HA   CYS  19           HA       CYS  19   0.743  -1.154  -6.992
  135   1HB   CYS  19          HB2       CYS  19   3.446  -0.982  -5.626
  136   2HB   CYS  19          HB1       CYS  19   3.095  -0.660  -7.324
  137    H    SER  20           HN       SER  20   2.352  -2.776  -8.180
  138    HA   SER  20           HA       SER  20   1.849  -5.434  -7.023
  139   1HB   SER  20          HB2       SER  20   2.740  -4.238  -9.615
  140   2HB   SER  20          HB1       SER  20   3.122  -5.931  -9.315
  141    HG   SER  20           HG       SER  20   1.133  -6.280  -9.887
  142    H    GLY  21           HN       GLY  21   4.605  -3.322  -7.675
  143   1HA   GLY  21          HA2       GLY  21   6.562  -5.373  -6.927
  144   2HA   GLY  21          HA1       GLY  21   6.920  -3.683  -7.290
  145    H    LEU  22           HN       LEU  22   4.359  -3.843  -5.129
  146    HA   LEU  22           HA       LEU  22   6.195  -3.261  -2.831
  147   1HB   LEU  22          HB2       LEU  22   3.593  -2.252  -3.861
  148   2HB   LEU  22          HB1       LEU  22   3.745  -2.343  -2.107
  149    HG   LEU  22           HG       LEU  22   5.978  -1.136  -3.707
  150   1HD1  LEU  22          HD11      LEU  22   4.378   0.271  -4.592
  151   2HD1  LEU  22          HD12      LEU  22   4.630   1.081  -3.045
  152   3HD1  LEU  22          HD13      LEU  22   3.253   0.000  -3.261
  153   1HD2  LEU  22          HD21      LEU  22   6.723  -0.733  -1.621
  154   2HD2  LEU  22          HD22      LEU  22   5.277  -1.492  -0.955
  155   3HD2  LEU  22          HD23      LEU  22   5.286   0.238  -1.296
  156    H    LYS  23           HN       LYS  23   4.792  -3.693  -0.691
  157    HA   LYS  23           HA       LYS  23   3.231  -6.193  -0.816
  158   1HB   LYS  23          HB2       LYS  23   5.473  -7.050  -0.939
  159   2HB   LYS  23          HB1       LYS  23   6.027  -5.956   0.327
  160   1HG   LYS  23          HG2       LYS  23   4.277  -7.132   1.830
  161   2HG   LYS  23          HG1       LYS  23   4.259  -8.385   0.589
  162   1HD   LYS  23          HD2       LYS  23   6.913  -7.444   1.594
  163   2HD   LYS  23          HD1       LYS  23   5.961  -8.503   2.635
  164   1HE   LYS  23          HE2       LYS  23   6.682 -10.269   1.414
  165   2HE   LYS  23          HE1       LYS  23   5.841  -9.597   0.003
  166   1HZ   LYS  23          HZ1       LYS  23   8.074  -9.626  -0.632
  167   2HZ   LYS  23          HZ2       LYS  23   8.619  -9.108   0.892
  168   3HZ   LYS  23          HZ3       LYS  23   7.819  -8.023  -0.142
  169    H    CYS  24           HN       CYS  24   1.604  -4.930   0.274
  170    HA   CYS  24           HA       CYS  24   2.041  -3.363   2.631
  171   1HB   CYS  24          HB2       CYS  24  -0.027  -4.018   0.888
  172   2HB   CYS  24          HB1       CYS  24  -0.547  -4.727   2.418
  173    H    ASP  25           HN       ASP  25   2.797  -4.184   4.566
  174    HA   ASP  25           HA       ASP  25   1.651  -6.775   5.508
  175   1HB   ASP  25          HB2       ASP  25   4.400  -6.128   4.712
  176   2HB   ASP  25          HB1       ASP  25   4.297  -6.850   6.318
  177    H    GLY  26           HN       GLY  26   0.414  -5.353   6.961
  178   1HA   GLY  26          HA2       GLY  26   0.708  -5.188   9.510
  179   2HA   GLY  26          HA1       GLY  26   2.071  -4.134   9.125
  180    H    SER  27           HN       SER  27   1.500  -2.224   7.708
  181    HA   SER  27           HA       SER  27  -1.290  -1.310   7.755
  182   1HB   SER  27          HB2       SER  27  -0.574   0.690   9.214
  183   2HB   SER  27          HB1       SER  27  -0.771  -0.859  10.031
  184    HG   SER  27           HG       SER  27   1.190  -0.160  10.671
  185    H    GLU  28           HN       GLU  28   2.129  -0.593   7.215
  186    HA   GLU  28           HA       GLU  28   1.348   1.476   5.193
  187   1HB   GLU  28          HB2       GLU  28   3.589   1.060   7.112
  188   2HB   GLU  28          HB1       GLU  28   3.998   1.823   5.575
  189   1HG   GLU  28          HG2       GLU  28   2.154   3.470   5.948
  190   2HG   GLU  28          HG1       GLU  28   1.879   2.752   7.536
  191    H    CYS  29           HN       CYS  29   1.741   1.008   3.076
  192    HA   CYS  29           HA       CYS  29   2.344  -1.469   2.006
  193   1HB   CYS  29          HB2       CYS  29   2.611   1.372   1.162
  194   2HB   CYS  29          HB1       CYS  29   3.379   0.163   0.131
  195    H    HIS  30           HN       HIS  30   4.087  -2.725   2.607
  196    HA   HIS  30           HA       HIS  30   6.729  -1.454   3.072
  197   1HB   HIS  30          HB2       HIS  30   5.353  -4.042   3.673
  198   2HB   HIS  30          HB1       HIS  30   7.116  -4.047   3.601
  199    HD1  HIS  30           HD1      HIS  30   8.389  -2.519   5.319
  200    HD2  HIS  30           HD2      HIS  30   4.266  -2.691   5.904
  201    HE1  HIS  30           HE1      HIS  30   7.948  -1.533   7.610
  202    HA   PRO  31           HA       PRO  31   7.873  -2.501  -1.092
  203   1HB   PRO  31          HB2       PRO  31  10.544  -1.929  -0.841
  204   2HB   PRO  31          HB1       PRO  31   9.296  -0.681  -1.032
  205   1HG   PRO  31          HG2       PRO  31  10.651  -1.635   1.448
  206   2HG   PRO  31          HG1       PRO  31  10.235   0.014   0.955
  207   1HD   PRO  31          HD2       PRO  31   8.761  -1.377   2.745
  208   2HD   PRO  31          HD1       PRO  31   8.041  -0.191   1.630
  209    H    GLN  32           HN       GLN  32   9.139  -4.191  -2.139
  210    HA   GLN  32           HA       GLN  32   9.287  -6.652  -0.735
  211   1HB   GLN  32          HB2       GLN  32  10.470  -7.393  -2.784
  212   2HB   GLN  32          HB1       GLN  32   9.081  -6.378  -3.178
  213   1HG   GLN  32          HG2       GLN  32  10.503  -4.450  -3.517
  214   2HG   GLN  32          HG1       GLN  32  11.912  -5.330  -2.924
  215   1HE2  GLN  32          HE21      GLN  32  12.683  -4.614  -5.239
  216   2HE2  GLN  32          HE22      GLN  32  12.354  -5.696  -6.504
  Start of MODEL    7
    1   1H    TRP   1           HT1      TRP   1  -0.009  10.435 -10.830
    2   2H    TRP   1           HT2      TRP   1   0.899  11.590  -9.977
    3   3H    TRP   1           HT3      TRP   1  -0.323  10.710  -9.189
    4    HA   TRP   1           HA       TRP   1   2.409   9.925  -9.822
    5   1HB   TRP   1          HB2       TRP   1   0.318   9.148  -7.765
    6   2HB   TRP   1          HB1       TRP   1   2.037   8.766  -7.680
    7    HD1  TRP   1           HD1      TRP   1  -0.223  11.071  -6.211
    8    HE1  TRP   1           HE1      TRP   1   0.906  13.294  -5.550
    9    HE3  TRP   1           HE3      TRP   1   4.100  10.697  -8.901
   10    HZ2  TRP   1           HZ2      TRP   1   3.332  14.724  -6.092
   11    HZ3  TRP   1           HZ3      TRP   1   5.799  12.496  -8.813
   12    HH2  TRP   1           HH2      TRP   1   5.422  14.507  -7.413
   13    H    LEU   2           HN       LEU   2   2.650   7.424  -9.440
   14    HA   LEU   2           HA       LEU   2   2.034   5.908 -11.625
   15   1HB   LEU   2          HB2       LEU   2   1.626   4.659  -8.913
   16   2HB   LEU   2          HB1       LEU   2   2.475   4.006 -10.308
   17    HG   LEU   2           HG       LEU   2   3.993   6.206  -9.814
   18   1HD1  LEU   2          HD11      LEU   2   4.084   6.781  -7.573
   19   2HD1  LEU   2          HD12      LEU   2   3.513   5.199  -7.034
   20   3HD1  LEU   2          HD13      LEU   2   2.371   6.373  -7.693
   21   1HD2  LEU   2          HD21      LEU   2   4.283   3.456  -9.705
   22   2HD2  LEU   2          HD22      LEU   2   4.720   3.953  -8.069
   23   3HD2  LEU   2          HD23      LEU   2   5.581   4.623  -9.455
   24    H    GLY   3           HN       GLY   3   0.020   5.586  -8.716
   25   1HA   GLY   3          HA2       GLY   3  -2.481   6.118  -9.150
   26   2HA   GLY   3          HA1       GLY   3  -2.311   4.962 -10.474
   27    H    CYS   4           HN       CYS   4  -0.695   4.621  -7.361
   28    HA   CYS   4           HA       CYS   4  -2.656   2.654  -6.375
   29   1HB   CYS   4          HB2       CYS   4  -0.767   0.903  -6.328
   30   2HB   CYS   4          HB1       CYS   4  -1.471   1.256  -7.905
   31    H    ALA   5           HN       ALA   5  -1.479   1.542  -4.318
   32    HA   ALA   5           HA       ALA   5  -0.764   3.735  -2.544
   33   1HB   ALA   5          HB1       ALA   5  -2.025   1.454  -2.175
   34   2HB   ALA   5          HB2       ALA   5  -1.006   2.095  -0.886
   35   3HB   ALA   5          HB3       ALA   5  -0.400   0.811  -1.934
   36    H    ARG   6           HN       ARG   6   1.292   4.434  -2.054
   37    HA   ARG   6           HA       ARG   6   3.593   3.252  -3.426
   38   1HB   ARG   6          HB2       ARG   6   3.281   5.470  -1.377
   39   2HB   ARG   6          HB1       ARG   6   4.752   5.148  -2.297
   40   1HG   ARG   6          HG2       ARG   6   3.916   6.081  -4.195
   41   2HG   ARG   6          HG1       ARG   6   2.313   5.389  -3.940
   42   1HD   ARG   6          HD2       ARG   6   1.839   7.115  -2.223
   43   2HD   ARG   6          HD1       ARG   6   3.441   7.824  -2.508
   44    HE   ARG   6           HE       ARG   6   1.539   7.504  -4.787
   45   1HH1  ARG   6          HH11      ARG   6   1.317   9.893  -2.806
   46   2HH1  ARG   6          HH12      ARG   6   2.159  11.109  -3.705
   47   1HH2  ARG   6          HH21      ARG   6   3.582   8.857  -5.924
   48   2HH2  ARG   6          HH22      ARG   6   3.441  10.523  -5.471
   49    H    VAL   7           HN       VAL   7   5.535   3.710  -1.341
   50    HA   VAL   7           HA       VAL   7   5.178   1.202   0.183
   51    HB   VAL   7           HB       VAL   7   7.259   2.027  -1.102
   52   1HG1  VAL   7          HG11      VAL   7   7.043   4.328   0.068
   53   2HG1  VAL   7          HG12      VAL   7   8.657   3.637  -0.100
   54   3HG1  VAL   7          HG13      VAL   7   7.812   3.538   1.445
   55   1HG2  VAL   7          HG21      VAL   7   7.884   1.378   1.769
   56   2HG2  VAL   7          HG22      VAL   7   8.647   0.766   0.301
   57   3HG2  VAL   7          HG23      VAL   7   7.042   0.199   0.762
   58    H    LYS   8           HN       LYS   8   4.652   4.546   0.695
   59    HA   LYS   8           HA       LYS   8   4.850   4.228   3.606
   60   1HB   LYS   8          HB2       LYS   8   4.992   6.674   3.637
   61   2HB   LYS   8          HB1       LYS   8   6.179   6.020   2.508
   62   1HG   LYS   8          HG2       LYS   8   5.106   6.872   0.682
   63   2HG   LYS   8          HG1       LYS   8   3.504   6.581   1.363
   64   1HD   LYS   8          HD2       LYS   8   4.617   8.516   3.039
   65   2HD   LYS   8          HD1       LYS   8   5.116   9.007   1.421
   66   1HE   LYS   8          HE2       LYS   8   2.386   8.174   1.257
   67   2HE   LYS   8          HE1       LYS   8   2.534   9.308   2.616
   68   1HZ   LYS   8          HZ1       LYS   8   2.353  10.153   0.132
   69   2HZ   LYS   8          HZ2       LYS   8   4.031   9.906   0.179
   70   3HZ   LYS   8          HZ3       LYS   8   3.296  10.966   1.283
   71    H    GLU   9           HN       GLU   9   2.607   3.919   1.253
   72    HA   GLU   9           HA       GLU   9   0.418   5.504   2.396
   73   1HB   GLU   9          HB2       GLU   9   0.814   4.823  -0.043
   74   2HB   GLU   9          HB1       GLU   9   0.288   3.207   0.427
   75   1HG   GLU   9          HG2       GLU   9  -1.891   3.829   0.547
   76   2HG   GLU   9          HG1       GLU   9  -1.501   5.339   1.371
   77    H    ALA  10           HN       ALA  10  -1.139   4.827   3.737
   78    HA   ALA  10           HA       ALA  10  -0.709   2.491   5.387
   79   1HB   ALA  10          HB1       ALA  10  -2.951   4.501   5.050
   80   2HB   ALA  10          HB2       ALA  10  -1.607   4.611   6.186
   81   3HB   ALA  10          HB3       ALA  10  -2.837   3.362   6.392
   82    H    CYS  11           HN       CYS  11  -0.833   0.749   3.769
   83    HA   CYS  11           HA       CYS  11  -3.481   0.305   2.491
   84   1HB   CYS  11          HB2       CYS  11  -2.208  -1.501   1.330
   85   2HB   CYS  11          HB1       CYS  11  -1.426   0.072   1.170
   86    H    GLY  12           HN       GLY  12  -4.110  -2.163   2.544
   87   1HA   GLY  12          HA2       GLY  12  -3.452  -3.983   4.520
   88   2HA   GLY  12          HA1       GLY  12  -4.555  -2.869   5.334
   89    HA   PRO  13           HA       PRO  13  -7.049  -6.015   3.037
   90   1HB   PRO  13          HB2       PRO  13  -8.410  -6.990   5.196
   91   2HB   PRO  13          HB1       PRO  13  -6.842  -7.634   4.673
   92   1HG   PRO  13          HG2       PRO  13  -7.483  -5.821   6.928
   93   2HG   PRO  13          HG1       PRO  13  -6.236  -7.069   6.796
   94   1HD   PRO  13          HD2       PRO  13  -5.797  -4.347   6.543
   95   2HD   PRO  13          HD1       PRO  13  -4.717  -5.620   5.934
   96    H    TRP  14           HN       TRP  14  -7.466  -3.108   4.497
   97    HA   TRP  14           HA       TRP  14 -10.444  -3.154   4.150
   98   1HB   TRP  14          HB2       TRP  14  -8.782  -1.230   5.793
   99   2HB   TRP  14          HB1       TRP  14 -10.525  -1.474   5.869
  100    HD1  TRP  14           HD1      TRP  14 -11.147  -4.236   6.442
  101    HE1  TRP  14           HE1      TRP  14 -10.146  -5.626   8.370
  102    HE3  TRP  14           HE3      TRP  14  -6.916  -1.543   7.356
  103    HZ2  TRP  14           HZ2      TRP  14  -7.849  -5.592  10.082
  104    HZ3  TRP  14           HZ3      TRP  14  -5.338  -2.236   9.139
  105    HH2  TRP  14           HH2      TRP  14  -5.799  -4.255  10.501
  106    H    GLU  15           HN       GLU  15  -7.621  -2.160   2.681
  107    HA   GLU  15           HA       GLU  15  -9.031   0.119   1.332
  108   1HB   GLU  15          HB2       GLU  15  -6.710   0.110   3.015
  109   2HB   GLU  15          HB1       GLU  15  -6.206   0.542   1.381
  110   1HG   GLU  15          HG2       GLU  15  -8.681   1.884   2.029
  111   2HG   GLU  15          HG1       GLU  15  -7.475   2.214   3.273
  112    H    TRP  16           HN       TRP  16  -7.027   0.700  -0.518
  113    HA   TRP  16           HA       TRP  16  -7.362  -1.441  -2.460
  114   1HB   TRP  16          HB2       TRP  16  -5.495   0.934  -2.616
  115   2HB   TRP  16          HB1       TRP  16  -6.348   0.139  -3.936
  116    HD1  TRP  16           HD1      TRP  16  -6.499   3.266  -2.461
  117    HE1  TRP  16           HE1      TRP  16  -8.881   4.233  -2.277
  118    HE3  TRP  16           HE3      TRP  16  -9.236  -1.002  -3.083
  119    HZ2  TRP  16           HZ2      TRP  16 -11.588   3.318  -2.377
  120    HZ3  TRP  16           HZ3      TRP  16 -11.711  -0.925  -3.035
  121    HH2  TRP  16           HH2      TRP  16 -12.890   1.228  -2.683
  122    HA   PRO  17           HA       PRO  17  -3.601  -3.638  -1.873
  123   1HB   PRO  17          HB2       PRO  17  -2.751  -4.094  -4.437
  124   2HB   PRO  17          HB1       PRO  17  -4.144  -4.926  -3.717
  125   1HG   PRO  17          HG2       PRO  17  -4.079  -2.620  -5.595
  126   2HG   PRO  17          HG1       PRO  17  -5.193  -3.994  -5.530
  127   1HD   PRO  17          HD2       PRO  17  -5.804  -1.506  -4.587
  128   2HD   PRO  17          HD1       PRO  17  -6.531  -3.003  -3.963
  129    H    CYS  18           HN       CYS  18  -1.239  -3.574  -3.469
  130    HA   CYS  18           HA       CYS  18  -0.332  -0.742  -3.058
  131   1HB   CYS  18          HB2       CYS  18   0.402  -2.780  -1.553
  132   2HB   CYS  18          HB1       CYS  18   1.463  -3.150  -2.913
  133    H    CYS  19           HN       CYS  19   1.585  -0.177  -4.454
  134    HA   CYS  19           HA       CYS  19   1.097  -0.602  -7.222
  135   1HB   CYS  19          HB2       CYS  19   3.604   0.205  -5.708
  136   2HB   CYS  19          HB1       CYS  19   3.350   0.456  -7.435
  137    H    SER  20           HN       SER  20   3.491  -1.314  -8.410
  138    HA   SER  20           HA       SER  20   3.559  -4.236  -7.938
  139   1HB   SER  20          HB2       SER  20   5.267  -2.938  -9.986
  140   2HB   SER  20          HB1       SER  20   4.170  -4.306 -10.145
  141    HG   SER  20           HG       SER  20   2.985  -2.830 -11.098
  142    H    GLY  21           HN       GLY  21   5.116  -5.108  -6.633
  143   1HA   GLY  21          HA2       GLY  21   7.481  -5.475  -6.138
  144   2HA   GLY  21          HA1       GLY  21   7.789  -3.788  -6.553
  145    H    LEU  22           HN       LEU  22   4.956  -4.185  -4.716
  146    HA   LEU  22           HA       LEU  22   6.432  -3.634  -2.162
  147   1HB   LEU  22          HB2       LEU  22   4.231  -2.103  -3.554
  148   2HB   LEU  22          HB1       LEU  22   4.485  -1.947  -1.816
  149    HG   LEU  22           HG       LEU  22   6.755  -1.607  -3.775
  150   1HD1  LEU  22          HD11      LEU  22   5.392   0.777  -2.611
  151   2HD1  LEU  22          HD12      LEU  22   4.599  -0.019  -3.971
  152   3HD1  LEU  22          HD13      LEU  22   6.239   0.605  -4.149
  153   1HD2  LEU  22          HD21      LEU  22   7.374  -0.041  -1.731
  154   2HD2  LEU  22          HD22      LEU  22   7.652  -1.779  -1.634
  155   3HD2  LEU  22          HD23      LEU  22   6.229  -1.069  -0.871
  156    H    LYS  23           HN       LYS  23   5.563  -4.722  -0.408
  157    HA   LYS  23           HA       LYS  23   2.950  -6.136  -0.831
  158   1HB   LYS  23          HB2       LYS  23   4.023  -7.829   0.757
  159   2HB   LYS  23          HB1       LYS  23   4.772  -7.704  -0.834
  160   1HG   LYS  23          HG2       LYS  23   6.714  -6.916   0.021
  161   2HG   LYS  23          HG1       LYS  23   5.877  -5.799   1.101
  162   1HD   LYS  23          HD2       LYS  23   5.587  -7.452   2.772
  163   2HD   LYS  23          HD1       LYS  23   5.940  -8.766   1.651
  164   1HE   LYS  23          HE2       LYS  23   8.266  -8.239   1.595
  165   2HE   LYS  23          HE1       LYS  23   7.998  -6.652   2.347
  166   1HZ   LYS  23          HZ1       LYS  23   8.668  -8.047   4.097
  167   2HZ   LYS  23          HZ2       LYS  23   7.690  -9.332   3.572
  168   3HZ   LYS  23          HZ3       LYS  23   6.982  -7.946   4.254
  169    H    CYS  24           HN       CYS  24   1.453  -5.048   0.415
  170    HA   CYS  24           HA       CYS  24   1.832  -3.290   2.530
  171   1HB   CYS  24          HB2       CYS  24  -0.283  -4.169   1.276
  172   2HB   CYS  24          HB1       CYS  24  -0.354  -5.368   2.569
  173    H    ASP  25           HN       ASP  25   3.015  -3.604   4.391
  174    HA   ASP  25           HA       ASP  25   3.459  -6.310   5.451
  175   1HB   ASP  25          HB2       ASP  25   5.145  -4.426   5.313
  176   2HB   ASP  25          HB1       ASP  25   4.235  -3.610   6.586
  177    H    GLY  26           HN       GLY  26   0.730  -4.731   5.574
  178   1HA   GLY  26          HA2       GLY  26  -0.917  -5.577   7.266
  179   2HA   GLY  26          HA1       GLY  26   0.297  -5.213   8.495
  180    H    SER  27           HN       SER  27   1.158  -2.696   7.662
  181    HA   SER  27           HA       SER  27  -1.351  -1.062   7.818
  182   1HB   SER  27          HB2       SER  27   0.293   0.445   9.218
  183   2HB   SER  27          HB1       SER  27  -0.457  -0.958   9.976
  184    HG   SER  27           HG       SER  27   2.026  -0.532   9.952
  185    H    GLU  28           HN       GLU  28   2.154  -0.791   7.182
  186    HA   GLU  28           HA       GLU  28   1.519   1.227   5.057
  187   1HB   GLU  28          HB2       GLU  28   2.850   2.174   6.802
  188   2HB   GLU  28          HB1       GLU  28   3.883   0.746   6.886
  189   1HG   GLU  28          HG2       GLU  28   4.785   1.221   4.665
  190   2HG   GLU  28          HG1       GLU  28   3.693   2.595   4.488
  191    H    CYS  29           HN       CYS  29   2.287   0.829   2.972
  192    HA   CYS  29           HA       CYS  29   2.886  -1.817   2.119
  193   1HB   CYS  29          HB2       CYS  29   2.934   0.947   1.044
  194   2HB   CYS  29          HB1       CYS  29   3.901  -0.232   0.158
  195    H    HIS  30           HN       HIS  30   4.820  -2.947   2.024
  196    HA   HIS  30           HA       HIS  30   7.290  -1.449   2.822
  197   1HB   HIS  30          HB2       HIS  30   6.184  -4.187   3.352
  198   2HB   HIS  30          HB1       HIS  30   7.931  -3.937   3.424
  199    HD1  HIS  30           HD1      HIS  30   7.981  -4.191   6.023
  200    HD2  HIS  30           HD2      HIS  30   5.575  -1.064   4.679
  201    HE1  HIS  30           HE1      HIS  30   7.444  -2.775   8.055
  202    HA   PRO  31           HA       PRO  31   9.204  -2.543  -0.964
  203   1HB   PRO  31          HB2       PRO  31  11.755  -3.145  -0.180
  204   2HB   PRO  31          HB1       PRO  31  11.119  -1.486  -0.214
  205   1HG   PRO  31          HG2       PRO  31  11.447  -3.341   2.093
  206   2HG   PRO  31          HG1       PRO  31  11.727  -1.594   1.998
  207   1HD   PRO  31          HD2       PRO  31   9.498  -2.688   3.114
  208   2HD   PRO  31          HD1       PRO  31   9.515  -1.088   2.340
  209    H    GLN  32           HN       GLN  32   9.216  -4.399  -2.189
  210    HA   GLN  32           HA       GLN  32   9.021  -7.003  -0.811
  211   1HB   GLN  32          HB2       GLN  32   7.669  -5.978  -2.833
  212   2HB   GLN  32          HB1       GLN  32   9.027  -6.578  -3.787
  213   1HG   GLN  32          HG2       GLN  32   8.586  -8.808  -3.259
  214   2HG   GLN  32          HG1       GLN  32   7.709  -8.391  -1.786
  215   1HE2  GLN  32          HE21      GLN  32   6.203 -10.056  -3.154
  216   2HE2  GLN  32          HE22      GLN  32   5.028  -9.292  -4.113
  Start of MODEL    8
    1   1H    TRP   1           HT1      TRP   1  -0.434   2.881 -17.797
    2   2H    TRP   1           HT2      TRP   1  -1.041   4.468 -17.767
    3   3H    TRP   1           HT3      TRP   1  -1.718   3.277 -16.763
    4    HA   TRP   1           HA       TRP   1   1.146   3.911 -16.492
    5   1HB   TRP   1          HB2       TRP   1  -1.203   5.654 -16.049
    6   2HB   TRP   1          HB1       TRP   1  -0.092   5.553 -14.682
    7    HD1  TRP   1           HD1      TRP   1   2.392   6.417 -15.030
    8    HE1  TRP   1           HE1      TRP   1   3.438   7.996 -16.779
    9    HE3  TRP   1           HE3      TRP   1  -1.312   6.418 -18.547
   10    HZ2  TRP   1           HZ2      TRP   1   2.790   9.113 -19.331
   11    HZ3  TRP   1           HZ3      TRP   1  -1.071   7.746 -20.626
   12    HH2  TRP   1           HH2      TRP   1   0.973   9.093 -21.021
   13    H    LEU   2           HN       LEU   2   1.716   3.560 -14.162
   14    HA   LEU   2           HA       LEU   2   0.531   1.136 -13.129
   15   1HB   LEU   2          HB2       LEU   2   2.897   2.525 -12.894
   16   2HB   LEU   2          HB1       LEU   2   2.154   2.796 -11.317
   17    HG   LEU   2           HG       LEU   2   3.447   0.766 -11.162
   18   1HD1  LEU   2          HD11      LEU   2   0.807  -0.506 -11.566
   19   2HD1  LEU   2          HD12      LEU   2   0.794   0.926 -10.536
   20   3HD1  LEU   2          HD13      LEU   2   1.819  -0.449 -10.125
   21   1HD2  LEU   2          HD21      LEU   2   3.780  -0.540 -12.971
   22   2HD2  LEU   2          HD22      LEU   2   2.680   0.490 -13.888
   23   3HD2  LEU   2          HD23      LEU   2   2.060  -0.922 -13.034
   24    H    GLY   3           HN       GLY   3   0.867   4.262 -11.442
   25   1HA   GLY   3          HA2       GLY   3  -0.546   5.311  -9.890
   26   2HA   GLY   3          HA1       GLY   3  -1.875   4.666 -10.854
   27    H    CYS   4           HN       CYS   4  -0.006   4.264  -7.967
   28    HA   CYS   4           HA       CYS   4  -1.963   2.290  -6.968
   29   1HB   CYS   4          HB2       CYS   4  -0.278   0.586  -6.571
   30   2HB   CYS   4          HB1       CYS   4  -0.182   1.059  -8.268
   31    H    ALA   5           HN       ALA   5  -0.922   1.545  -4.643
   32    HA   ALA   5           HA       ALA   5  -0.594   4.062  -3.150
   33   1HB   ALA   5          HB1       ALA   5  -1.155   2.718  -1.298
   34   2HB   ALA   5          HB2       ALA   5  -0.481   1.265  -2.035
   35   3HB   ALA   5          HB3       ALA   5  -2.008   1.924  -2.621
   36    H    ARG   6           HN       ARG   6   1.348   4.763  -2.272
   37    HA   ARG   6           HA       ARG   6   3.798   3.262  -2.977
   38   1HB   ARG   6          HB2       ARG   6   3.224   5.982  -1.758
   39   2HB   ARG   6          HB1       ARG   6   4.845   5.399  -2.141
   40   1HG   ARG   6          HG2       ARG   6   4.547   6.189  -4.230
   41   2HG   ARG   6          HG1       ARG   6   3.335   4.929  -4.462
   42   1HD   ARG   6          HD2       ARG   6   2.530   7.316  -4.914
   43   2HD   ARG   6          HD1       ARG   6   1.556   6.405  -3.745
   44    HE   ARG   6           HE       ARG   6   2.488   7.727  -1.978
   45   1HH1  ARG   6          HH21      ARG   6   2.903   9.143  -4.976
   46   2HH1  ARG   6          HH22      ARG   6   4.174  10.216  -4.497
   47   1HH2  ARG   6          HH11      ARG   6   4.579   8.768  -1.372
   48   2HH2  ARG   6          HH12      ARG   6   5.123  10.005  -2.456
   49    H    VAL   7           HN       VAL   7   5.554   3.475  -1.094
   50    HA   VAL   7           HA       VAL   7   4.937   1.717   0.988
   51    HB   VAL   7           HB       VAL   7   6.860   4.064   1.003
   52   1HG1  VAL   7          HG11      VAL   7   8.187   2.342   2.413
   53   2HG1  VAL   7          HG12      VAL   7   6.637   1.528   2.621
   54   3HG1  VAL   7          HG13      VAL   7   6.849   3.183   3.194
   55   1HG2  VAL   7          HG21      VAL   7   6.727   2.022  -0.845
   56   2HG2  VAL   7          HG22      VAL   7   7.851   1.371   0.347
   57   3HG2  VAL   7          HG23      VAL   7   8.192   2.914  -0.435
   58    H    LYS   8           HN       LYS   8   5.456   5.170   1.611
   59    HA   LYS   8           HA       LYS   8   4.419   5.479   4.087
   60   1HB   LYS   8          HB2       LYS   8   4.052   7.199   1.628
   61   2HB   LYS   8          HB1       LYS   8   3.741   7.772   3.267
   62   1HG   LYS   8          HG2       LYS   8   6.383   6.582   2.379
   63   2HG   LYS   8          HG1       LYS   8   6.053   8.314   2.408
   64   1HD   LYS   8          HD2       LYS   8   6.109   6.401   4.751
   65   2HD   LYS   8          HD1       LYS   8   7.128   7.816   4.487
   66   1HE   LYS   8          HE2       LYS   8   5.053   9.251   4.609
   67   2HE   LYS   8          HE1       LYS   8   4.152   7.799   5.094
   68   1HZ   LYS   8          HZ1       LYS   8   6.201   9.280   6.548
   69   2HZ   LYS   8          HZ2       LYS   8   6.248   7.588   6.684
   70   3HZ   LYS   8          HZ3       LYS   8   4.850   8.441   7.136
   71    H    GLU   9           HN       GLU   9   2.537   4.772   1.208
   72    HA   GLU   9           HA       GLU   9  -0.041   5.464   2.402
   73   1HB   GLU   9          HB2       GLU   9   0.785   5.291  -0.099
   74   2HB   GLU   9          HB1       GLU   9   0.369   3.587   0.085
   75   1HG   GLU   9          HG2       GLU   9  -1.542   4.864  -0.812
   76   2HG   GLU   9          HG1       GLU   9  -1.912   4.216   0.786
   77    H    ALA  10           HN       ALA  10  -1.342   4.187   3.551
   78    HA   ALA  10           HA       ALA  10  -0.347   1.573   4.453
   79   1HB   ALA  10          HB1       ALA  10  -1.423   2.285   6.302
   80   2HB   ALA  10          HB2       ALA  10  -2.944   2.410   5.415
   81   3HB   ALA  10          HB3       ALA  10  -1.817   3.768   5.431
   82    H    CYS  11           HN       CYS  11  -0.799  -0.087   2.995
   83    HA   CYS  11           HA       CYS  11  -3.513  -0.148   1.748
   84   1HB   CYS  11          HB2       CYS  11  -2.482  -1.165  -0.053
   85   2HB   CYS  11          HB1       CYS  11  -1.096  -0.294   0.593
   86    H    GLY  12           HN       GLY  12  -4.385  -2.491   1.517
   87   1HA   GLY  12          HA2       GLY  12  -3.565  -4.581   3.255
   88   2HA   GLY  12          HA1       GLY  12  -4.765  -3.613   4.111
   89    HA   PRO  13           HA       PRO  13  -6.963  -6.708   1.467
   90   1HB   PRO  13          HB2       PRO  13  -8.513  -7.730   3.476
   91   2HB   PRO  13          HB1       PRO  13  -6.894  -8.350   3.095
   92   1HG   PRO  13          HG2       PRO  13  -7.751  -6.511   5.269
   93   2HG   PRO  13          HG1       PRO  13  -6.544  -7.805   5.295
   94   1HD   PRO  13          HD2       PRO  13  -5.923  -5.149   5.104
   95   2HD   PRO  13          HD1       PRO  13  -4.892  -6.454   4.478
   96    H    TRP  14           HN       TRP  14  -7.961  -4.346   3.872
   97    HA   TRP  14           HA       TRP  14 -10.457  -3.860   2.276
   98   1HB   TRP  14          HB2       TRP  14  -9.944  -4.117   5.230
   99   2HB   TRP  14          HB1       TRP  14 -11.296  -3.141   4.660
  100    HD1  TRP  14           HD1      TRP  14 -12.477  -4.728   2.363
  101    HE1  TRP  14           HE1      TRP  14 -13.506  -7.069   2.694
  102    HE3  TRP  14           HE3      TRP  14 -10.174  -6.095   6.710
  103    HZ2  TRP  14           HZ2      TRP  14 -13.368  -9.236   4.558
  104    HZ3  TRP  14           HZ3      TRP  14 -10.639  -8.299   7.742
  105    HH2  TRP  14           HH2      TRP  14 -12.232  -9.870   6.672
  106    H    GLU  15           HN       GLU  15  -7.726  -2.550   2.235
  107    HA   GLU  15           HA       GLU  15  -8.664   0.235   2.818
  108   1HB   GLU  15          HB2       GLU  15  -6.011  -1.080   3.478
  109   2HB   GLU  15          HB1       GLU  15  -6.311   0.652   3.621
  110   1HG   GLU  15          HG2       GLU  15  -8.094   0.252   5.238
  111   2HG   GLU  15          HG1       GLU  15  -7.911  -1.493   5.044
  112    H    TRP  16           HN       TRP  16  -6.269   1.479   1.937
  113    HA   TRP  16           HA       TRP  16  -6.639   1.665  -0.864
  114   1HB   TRP  16          HB2       TRP  16  -4.333   2.267   1.002
  115   2HB   TRP  16          HB1       TRP  16  -4.298   2.708  -0.706
  116    HD1  TRP  16           HD1      TRP  16  -5.990   4.573  -1.543
  117    HE1  TRP  16           HE1      TRP  16  -7.317   6.389  -0.281
  118    HE3  TRP  16           HE3      TRP  16  -5.575   2.809   3.229
  119    HZ2  TRP  16           HZ2      TRP  16  -8.098   7.010   2.402
  120    HZ3  TRP  16           HZ3      TRP  16  -6.618   4.029   5.117
  121    HH2  TRP  16           HH2      TRP  16  -7.878   6.125   4.709
  122    HA   PRO  17           HA       PRO  17  -4.582  -1.917  -2.376
  123   1HB   PRO  17          HB2       PRO  17  -3.980  -1.045  -4.898
  124   2HB   PRO  17          HB1       PRO  17  -5.625  -1.478  -4.395
  125   1HG   PRO  17          HG2       PRO  17  -4.383   1.204  -4.703
  126   2HG   PRO  17          HG1       PRO  17  -6.035   0.676  -5.055
  127   1HD   PRO  17          HD2       PRO  17  -5.311   2.082  -2.813
  128   2HD   PRO  17          HD1       PRO  17  -6.738   1.026  -2.914
  129    H    CYS  18           HN       CYS  18  -2.453  -1.898  -4.243
  130    HA   CYS  18           HA       CYS  18  -0.313  -0.107  -3.452
  131   1HB   CYS  18          HB2       CYS  18  -0.754  -1.626  -1.436
  132   2HB   CYS  18          HB1       CYS  18  -0.147  -2.953  -2.428
  133    H    CYS  19           HN       CYS  19   1.348  -0.269  -4.957
  134    HA   CYS  19           HA       CYS  19   1.075  -1.543  -7.414
  135   1HB   CYS  19          HB2       CYS  19   3.240  -0.389  -5.774
  136   2HB   CYS  19          HB1       CYS  19   3.795  -1.509  -7.018
  137    H    SER  20           HN       SER  20   2.650  -3.340  -8.235
  138    HA   SER  20           HA       SER  20   2.184  -5.746  -6.590
  139   1HB   SER  20          HB2       SER  20   3.693  -5.864  -9.141
  140   2HB   SER  20          HB1       SER  20   2.297  -6.803  -8.620
  141    HG   SER  20           HG       SER  20   2.393  -4.610 -10.166
  142    H    GLY  21           HN       GLY  21   4.659  -3.455  -6.936
  143   1HA   GLY  21          HA2       GLY  21   6.823  -5.404  -6.350
  144   2HA   GLY  21          HA1       GLY  21   7.058  -3.700  -6.743
  145    H    LEU  22           HN       LEU  22   4.525  -4.198  -4.533
  146    HA   LEU  22           HA       LEU  22   6.344  -3.548  -2.230
  147   1HB   LEU  22          HB2       LEU  22   3.608  -2.489  -3.000
  148   2HB   LEU  22          HB1       LEU  22   4.405  -2.129  -1.468
  149    HG   LEU  22           HG       LEU  22   5.383  -1.427  -4.247
  150   1HD1  LEU  22          HD11      LEU  22   5.329   0.682  -2.260
  151   2HD1  LEU  22          HD12      LEU  22   3.745  -0.082  -2.393
  152   3HD1  LEU  22          HD13      LEU  22   4.513   0.608  -3.823
  153   1HD2  LEU  22          HD21      LEU  22   7.370  -2.000  -3.129
  154   2HD2  LEU  22          HD22      LEU  22   6.762  -1.450  -1.567
  155   3HD2  LEU  22          HD23      LEU  22   7.227  -0.274  -2.797
  156    H    LYS  23           HN       LYS  23   5.039  -3.917  -0.093
  157    HA   LYS  23           HA       LYS  23   3.021  -6.055  -0.184
  158   1HB   LYS  23          HB2       LYS  23   5.081  -7.293  -0.585
  159   2HB   LYS  23          HB1       LYS  23   5.865  -6.497   0.781
  160   1HG   LYS  23          HG2       LYS  23   5.055  -8.062   2.177
  161   2HG   LYS  23          HG1       LYS  23   3.409  -7.644   1.699
  162   1HD   LYS  23          HD2       LYS  23   4.875  -9.233  -0.304
  163   2HD   LYS  23          HD1       LYS  23   4.593 -10.075   1.221
  164   1HE   LYS  23          HE2       LYS  23   2.292  -8.553   0.072
  165   2HE   LYS  23          HE1       LYS  23   2.743 -10.077  -0.718
  166   1HZ   LYS  23          HZ1       LYS  23   2.798 -11.105   1.515
  167   2HZ   LYS  23          HZ2       LYS  23   1.248 -10.570   1.071
  168   3HZ   LYS  23          HZ3       LYS  23   2.179  -9.669   2.171
  169    H    CYS  24           HN       CYS  24   1.672  -4.988   1.276
  170    HA   CYS  24           HA       CYS  24   2.483  -3.359   3.460
  171   1HB   CYS  24          HB2       CYS  24   0.052  -4.811   2.539
  172   2HB   CYS  24          HB1       CYS  24   0.061  -4.301   4.226
  173    H    ASP  25           HN       ASP  25   3.782  -4.096   5.113
  174    HA   ASP  25           HA       ASP  25   3.551  -6.910   6.037
  175   1HB   ASP  25          HB2       ASP  25   5.686  -5.415   5.522
  176   2HB   ASP  25          HB1       ASP  25   5.424  -4.864   7.177
  177    H    GLY  26           HN       GLY  26   1.500  -4.718   6.604
  178   1HA   GLY  26          HA2       GLY  26   0.480  -5.380   9.022
  179   2HA   GLY  26          HA1       GLY  26   1.784  -4.294   9.504
  180    H    SER  27           HN       SER  27   1.623  -2.482   7.307
  181    HA   SER  27           HA       SER  27  -1.135  -1.474   7.166
  182   1HB   SER  27          HB2       SER  27   0.436  -0.838   9.367
  183   2HB   SER  27          HB1       SER  27   0.643   0.554   8.308
  184    HG   SER  27           HG       SER  27  -1.376   1.079   8.622
  185    H    GLU  28           HN       GLU  28   2.144  -0.072   7.011
  186    HA   GLU  28           HA       GLU  28   1.537   1.370   4.541
  187   1HB   GLU  28          HB2       GLU  28   3.893   0.962   6.371
  188   2HB   GLU  28          HB1       GLU  28   4.103   1.792   4.828
  189   1HG   GLU  28          HG2       GLU  28   3.640   3.405   6.638
  190   2HG   GLU  28          HG1       GLU  28   2.338   3.399   5.448
  191    H    CYS  29           HN       CYS  29   2.763   1.046   2.530
  192    HA   CYS  29           HA       CYS  29   3.015  -1.774   1.809
  193   1HB   CYS  29          HB2       CYS  29   3.289   0.911   0.481
  194   2HB   CYS  29          HB1       CYS  29   3.830  -0.538  -0.366
  195    H    HIS  30           HN       HIS  30   4.828  -2.808   2.636
  196    HA   HIS  30           HA       HIS  30   7.390  -1.429   2.959
  197   1HB   HIS  30          HB2       HIS  30   6.182  -4.110   3.470
  198   2HB   HIS  30          HB1       HIS  30   7.940  -4.032   3.352
  199    HD1  HIS  30           HD1      HIS  30   9.162  -2.379   5.048
  200    HD2  HIS  30           HD2      HIS  30   5.125  -3.046   5.840
  201    HE1  HIS  30           HE1      HIS  30   8.753  -1.574   7.414
  202    HA   PRO  31           HA       PRO  31   8.812  -2.281  -1.132
  203   1HB   PRO  31          HB2       PRO  31  11.473  -1.804  -0.700
  204   2HB   PRO  31          HB1       PRO  31  10.268  -0.508  -0.839
  205   1HG   PRO  31          HG2       PRO  31  11.516  -1.678   1.595
  206   2HG   PRO  31          HG1       PRO  31  11.087   0.003   1.242
  207   1HD   PRO  31          HD2       PRO  31   9.589  -1.638   2.831
  208   2HD   PRO  31          HD1       PRO  31   8.917  -0.274   1.912
  209    H    GLN  32           HN       GLN  32   8.859  -4.404  -1.762
  210    HA   GLN  32           HA       GLN  32   9.586  -6.691  -0.416
  211   1HB   GLN  32          HB2       GLN  32   8.738  -6.178  -2.858
  212   2HB   GLN  32          HB1       GLN  32  10.448  -6.313  -3.273
  213   1HG   GLN  32          HG2       GLN  32   9.942  -8.534  -3.469
  214   2HG   GLN  32          HG1       GLN  32  10.164  -8.519  -1.719
  215   1HE2  GLN  32          HE21      GLN  32   8.363  -9.090  -0.455
  216   2HE2  GLN  32          HE22      GLN  32   6.787  -9.262  -1.059
  Start of MODEL    9
    1   1H    TRP   1           HT1      TRP   1 -10.330  -5.511  -8.714
    2   2H    TRP   1           HT2      TRP   1 -10.202  -5.619 -10.405
    3   3H    TRP   1           HT3      TRP   1  -9.838  -4.160  -9.614
    4    HA   TRP   1           HA       TRP   1  -8.306  -6.687  -9.247
    5   1HB   TRP   1          HB2       TRP   1  -8.421  -4.717 -11.355
    6   2HB   TRP   1          HB1       TRP   1  -6.846  -4.653 -10.567
    7    HD1  TRP   1           HD1      TRP   1  -9.241  -7.313 -12.035
    8    HE1  TRP   1           HE1      TRP   1  -7.812  -9.202 -13.055
    9    HE3  TRP   1           HE3      TRP   1  -4.571  -5.660 -10.790
   10    HZ2  TRP   1           HZ2      TRP   1  -5.055  -9.916 -13.309
   11    HZ3  TRP   1           HZ3      TRP   1  -2.563  -6.963 -11.434
   12    HH2  TRP   1           HH2      TRP   1  -2.800  -9.087 -12.691
   13    H    LEU   2           HN       LEU   2  -6.000  -5.858  -8.536
   14    HA   LEU   2           HA       LEU   2  -6.203  -4.668  -5.958
   15   1HB   LEU   2          HB2       LEU   2  -3.857  -4.867  -7.878
   16   2HB   LEU   2          HB1       LEU   2  -3.734  -4.629  -6.135
   17    HG   LEU   2           HG       LEU   2  -5.297  -6.967  -7.182
   18   1HD1  LEU   2          HD11      LEU   2  -3.085  -6.959  -8.363
   19   2HD1  LEU   2          HD12      LEU   2  -3.280  -8.326  -7.265
   20   3HD1  LEU   2          HD13      LEU   2  -2.290  -6.947  -6.789
   21   1HD2  LEU   2          HD21      LEU   2  -5.106  -7.717  -5.028
   22   2HD2  LEU   2          HD22      LEU   2  -4.813  -6.013  -4.681
   23   3HD2  LEU   2          HD23      LEU   2  -3.454  -7.123  -4.863
   24    H    GLY   3           HN       GLY   3  -3.747  -2.854  -6.751
   25   1HA   GLY   3          HA2       GLY   3  -4.891  -0.662  -8.246
   26   2HA   GLY   3          HA1       GLY   3  -4.946  -0.348  -6.511
   27    H    CYS   4           HN       CYS   4  -3.328   1.215  -6.349
   28    HA   CYS   4           HA       CYS   4  -0.560   0.251  -6.614
   29   1HB   CYS   4          HB2       CYS   4  -1.768   1.349  -8.818
   30   2HB   CYS   4          HB1       CYS   4  -1.004   2.763  -8.091
   31    H    ALA   5           HN       ALA   5  -1.002   0.807  -4.231
   32    HA   ALA   5           HA       ALA   5  -1.352   3.561  -3.421
   33   1HB   ALA   5          HB1       ALA   5  -0.674   2.624  -1.216
   34   2HB   ALA   5          HB2       ALA   5  -0.186   1.133  -2.020
   35   3HB   ALA   5          HB3       ALA   5  -1.881   1.619  -2.013
   36    H    ARG   6           HN       ARG   6   0.964   3.439  -1.484
   37    HA   ARG   6           HA       ARG   6   3.218   3.959  -3.390
   38   1HB   ARG   6          HB2       ARG   6   2.448   5.627  -0.976
   39   2HB   ARG   6          HB1       ARG   6   3.683   6.010  -2.175
   40   1HG   ARG   6          HG2       ARG   6   2.103   6.478  -3.845
   41   2HG   ARG   6          HG1       ARG   6   0.833   5.561  -3.034
   42   1HD   ARG   6          HD2       ARG   6   1.265   7.401  -1.121
   43   2HD   ARG   6          HD1       ARG   6   1.753   8.356  -2.537
   44    HE   ARG   6           HE       ARG   6  -0.752   6.850  -2.866
   45   1HH1  ARG   6          HH11      ARG   6   0.735   9.724  -3.513
   46   2HH1  ARG   6          HH12      ARG   6  -0.615  10.741  -3.134
   47   1HH2  ARG   6          HH21      ARG   6  -2.482   8.184  -1.718
   48   2HH2  ARG   6          HH22      ARG   6  -2.438   9.869  -2.120
   49    H    VAL   7           HN       VAL   7   5.294   4.371  -1.877
   50    HA   VAL   7           HA       VAL   7   5.565   1.929  -0.229
   51    HB   VAL   7           HB       VAL   7   7.610   4.055  -0.919
   52   1HG1  VAL   7          HG11      VAL   7   9.214   2.423  -0.423
   53   2HG1  VAL   7          HG12      VAL   7   8.075   1.096  -0.647
   54   3HG1  VAL   7          HG13      VAL   7   7.978   2.106   0.794
   55   1HG2  VAL   7          HG21      VAL   7   7.192   3.516  -3.085
   56   2HG2  VAL   7          HG22      VAL   7   6.202   2.128  -2.633
   57   3HG2  VAL   7          HG23      VAL   7   7.957   1.973  -2.708
   58    H    LYS   8           HN       LYS   8   3.870   3.636   1.089
   59    HA   LYS   8           HA       LYS   8   4.851   3.931   3.637
   60   1HB   LYS   8          HB2       LYS   8   5.923   5.890   1.793
   61   2HB   LYS   8          HB1       LYS   8   5.021   6.693   3.079
   62   1HG   LYS   8          HG2       LYS   8   6.383   4.855   4.536
   63   2HG   LYS   8          HG1       LYS   8   7.535   5.130   3.228
   64   1HD   LYS   8          HD2       LYS   8   6.374   7.626   4.183
   65   2HD   LYS   8          HD1       LYS   8   7.186   6.745   5.479
   66   1HE   LYS   8          HE2       LYS   8   8.913   6.501   3.277
   67   2HE   LYS   8          HE1       LYS   8   8.366   8.189   3.248
   68   1HZ   LYS   8          HZ1       LYS   8  10.227   7.961   4.754
   69   2HZ   LYS   8          HZ2       LYS   8   9.429   6.730   5.610
   70   3HZ   LYS   8          HZ3       LYS   8   8.823   8.318   5.636
   71    H    GLU   9           HN       GLU   9   2.385   3.478   2.204
   72    HA   GLU   9           HA       GLU   9   0.672   5.597   3.463
   73   1HB   GLU   9          HB2       GLU   9   1.019   4.819   0.680
   74   2HB   GLU   9          HB1       GLU   9  -0.654   4.599   1.194
   75   1HG   GLU   9          HG2       GLU   9   0.969   7.139   1.540
   76   2HG   GLU   9          HG1       GLU   9  -0.289   6.883   0.330
   77    H    ALA  10           HN       ALA  10  -0.828   4.789   4.744
   78    HA   ALA  10           HA       ALA  10  -1.093   2.239   5.700
   79   1HB   ALA  10          HB1       ALA  10  -2.657   3.417   6.815
   80   2HB   ALA  10          HB2       ALA  10  -3.695   3.395   5.388
   81   3HB   ALA  10          HB3       ALA  10  -2.527   4.699   5.611
   82    H    CYS  11           HN       CYS  11  -1.361   0.344   4.573
   83    HA   CYS  11           HA       CYS  11  -3.422   0.275   2.403
   84   1HB   CYS  11          HB2       CYS  11  -1.842  -0.992   1.029
   85   2HB   CYS  11          HB1       CYS  11  -1.086   0.524   1.525
   86    H    GLY  12           HN       GLY  12  -4.824  -1.413   2.722
   87   1HA   GLY  12          HA2       GLY  12  -3.848  -3.791   4.236
   88   2HA   GLY  12          HA1       GLY  12  -5.351  -3.007   4.721
   89    HA   PRO  13           HA       PRO  13  -6.256  -6.242   1.517
   90   1HB   PRO  13          HB2       PRO  13  -8.065  -7.631   3.032
   91   2HB   PRO  13          HB1       PRO  13  -6.323  -7.970   3.054
   92   1HG   PRO  13          HG2       PRO  13  -7.978  -6.439   4.996
   93   2HG   PRO  13          HG1       PRO  13  -6.625  -7.542   5.289
   94   1HD   PRO  13          HD2       PRO  13  -6.399  -4.821   5.353
   95   2HD   PRO  13          HD1       PRO  13  -5.055  -5.912   4.952
   96    H    TRP  14           HN       TRP  14  -8.041  -4.022   3.495
   97    HA   TRP  14           HA       TRP  14 -10.144  -3.866   1.376
   98   1HB   TRP  14          HB2       TRP  14 -10.417  -4.284   4.349
   99   2HB   TRP  14          HB1       TRP  14 -11.717  -3.524   3.433
  100    HD1  TRP  14           HD1      TRP  14  -9.713  -6.797   3.612
  101    HE1  TRP  14           HE1      TRP  14 -11.114  -8.672   2.533
  102    HE3  TRP  14           HE3      TRP  14 -13.644  -4.057   1.847
  103    HZ2  TRP  14           HZ2      TRP  14 -13.577  -8.971   1.110
  104    HZ3  TRP  14           HZ3      TRP  14 -15.503  -5.161   0.635
  105    HH2  TRP  14           HH2      TRP  14 -15.474  -7.612   0.264
  106    H    GLU  15           HN       GLU  15  -7.918  -2.119   1.686
  107    HA   GLU  15           HA       GLU  15  -9.342   0.402   2.400
  108   1HB   GLU  15          HB2       GLU  15  -6.800  -0.737   3.542
  109   2HB   GLU  15          HB1       GLU  15  -7.027   1.012   3.481
  110   1HG   GLU  15          HG2       GLU  15  -8.232   0.857   5.375
  111   2HG   GLU  15          HG1       GLU  15  -9.454  -0.026   4.461
  112    H    TRP  16           HN       TRP  16  -5.900  -0.033   1.769
  113    HA   TRP  16           HA       TRP  16  -6.274   1.342  -0.872
  114   1HB   TRP  16          HB2       TRP  16  -4.209   1.580   1.325
  115   2HB   TRP  16          HB1       TRP  16  -3.920   2.212  -0.296
  116    HD1  TRP  16           HD1      TRP  16  -5.828   4.000  -1.210
  117    HE1  TRP  16           HE1      TRP  16  -7.074   5.834   0.107
  118    HE3  TRP  16           HE3      TRP  16  -5.132   2.289   3.550
  119    HZ2  TRP  16           HZ2      TRP  16  -7.693   6.487   2.824
  120    HZ3  TRP  16           HZ3      TRP  16  -6.058   3.535   5.482
  121    HH2  TRP  16           HH2      TRP  16  -7.336   5.629   5.126
  122    HA   PRO  17           HA       PRO  17  -4.257  -2.186  -2.585
  123   1HB   PRO  17          HB2       PRO  17  -3.548  -1.081  -4.991
  124   2HB   PRO  17          HB1       PRO  17  -5.212  -1.551  -4.595
  125   1HG   PRO  17          HG2       PRO  17  -3.951   1.143  -4.576
  126   2HG   PRO  17          HG1       PRO  17  -5.581   0.661  -5.073
  127   1HD   PRO  17          HD2       PRO  17  -5.009   1.836  -2.674
  128   2HD   PRO  17          HD1       PRO  17  -6.399   0.760  -2.944
  129    H    CYS  18           HN       CYS  18  -2.031  -1.908  -4.409
  130    HA   CYS  18           HA       CYS  18   0.066  -0.286  -3.203
  131   1HB   CYS  18          HB2       CYS  18  -0.567  -2.334  -1.660
  132   2HB   CYS  18          HB1       CYS  18   0.409  -3.241  -2.816
  133    H    CYS  19           HN       CYS  19   1.101   0.224  -5.107
  134    HA   CYS  19           HA       CYS  19   1.106  -0.979  -7.570
  135   1HB   CYS  19          HB2       CYS  19   3.351   0.320  -6.008
  136   2HB   CYS  19          HB1       CYS  19   3.499  -0.068  -7.721
  137    H    SER  20           HN       SER  20   2.498  -2.528  -8.650
  138    HA   SER  20           HA       SER  20   2.979  -4.954  -7.214
  139   1HB   SER  20          HB2       SER  20   2.706  -5.284  -9.481
  140   2HB   SER  20          HB1       SER  20   3.533  -3.785  -9.900
  141    HG   SER  20           HG       SER  20   5.466  -4.773  -9.628
  142    H    GLY  21           HN       GLY  21   5.063  -5.946  -6.716
  143   1HA   GLY  21          HA2       GLY  21   7.397  -5.925  -6.237
  144   2HA   GLY  21          HA1       GLY  21   7.465  -4.245  -6.773
  145    H    LEU  22           HN       LEU  22   4.855  -4.554  -4.721
  146    HA   LEU  22           HA       LEU  22   6.506  -3.785  -2.330
  147   1HB   LEU  22          HB2       LEU  22   4.015  -2.602  -3.568
  148   2HB   LEU  22          HB1       LEU  22   4.454  -2.273  -1.891
  149    HG   LEU  22           HG       LEU  22   6.575  -1.942  -3.967
  150   1HD1  LEU  22          HD11      LEU  22   4.700   0.339  -3.430
  151   2HD1  LEU  22          HD12      LEU  22   4.281  -0.841  -4.670
  152   3HD1  LEU  22          HD13      LEU  22   5.778   0.081  -4.801
  153   1HD2  LEU  22          HD21      LEU  22   6.959   0.085  -2.393
  154   2HD2  LEU  22          HD22      LEU  22   7.282  -1.524  -1.749
  155   3HD2  LEU  22          HD23      LEU  22   5.781  -0.694  -1.337
  156    H    LYS  23           HN       LYS  23   5.515  -4.326  -0.272
  157    HA   LYS  23           HA       LYS  23   3.188  -6.191  -0.373
  158   1HB   LYS  23          HB2       LYS  23   5.182  -7.567  -0.519
  159   2HB   LYS  23          HB1       LYS  23   5.941  -6.683   0.805
  160   1HG   LYS  23          HG2       LYS  23   4.074  -7.443   2.301
  161   2HG   LYS  23          HG1       LYS  23   3.484  -8.448   0.977
  162   1HD   LYS  23          HD2       LYS  23   5.064 -10.021   1.338
  163   2HD   LYS  23          HD1       LYS  23   6.343  -8.813   1.452
  164   1HE   LYS  23          HE2       LYS  23   6.065  -8.539   3.762
  165   2HE   LYS  23          HE1       LYS  23   4.391  -9.132   3.727
  166   1HZ   LYS  23          HZ1       LYS  23   6.672 -10.839   2.925
  167   2HZ   LYS  23          HZ2       LYS  23   5.094 -11.314   3.336
  168   3HZ   LYS  23          HZ3       LYS  23   6.154 -10.753   4.538
  169    H    CYS  24           HN       CYS  24   1.749  -5.263   1.046
  170    HA   CYS  24           HA       CYS  24   2.368  -3.317   3.020
  171   1HB   CYS  24          HB2       CYS  24   0.105  -5.299   2.660
  172   2HB   CYS  24          HB1       CYS  24   0.074  -4.033   3.887
  173    H    ASP  25           HN       ASP  25   3.434  -3.576   4.947
  174    HA   ASP  25           HA       ASP  25   4.068  -6.248   5.963
  175   1HB   ASP  25          HB2       ASP  25   5.423  -4.006   5.960
  176   2HB   ASP  25          HB1       ASP  25   4.493  -3.642   7.413
  177    H    GLY  26           HN       GLY  26   1.254  -4.613   6.079
  178   1HA   GLY  26          HA2       GLY  26  -0.533  -5.603   7.500
  179   2HA   GLY  26          HA1       GLY  26   0.626  -5.602   8.830
  180    H    SER  27           HN       SER  27   1.209  -2.809   7.188
  181    HA   SER  27           HA       SER  27  -0.960  -1.229   8.451
  182   1HB   SER  27          HB2       SER  27   1.866  -0.444   9.027
  183   2HB   SER  27          HB1       SER  27   0.419  -0.197  10.003
  184    HG   SER  27           HG       SER  27   0.490  -2.309  10.629
  185    H    GLU  28           HN       GLU  28   2.219  -0.935   6.846
  186    HA   GLU  28           HA       GLU  28   0.982   1.065   4.984
  187   1HB   GLU  28          HB2       GLU  28   3.458   1.130   6.677
  188   2HB   GLU  28          HB1       GLU  28   3.461   1.997   5.142
  189   1HG   GLU  28          HG2       GLU  28   1.691   3.412   5.797
  190   2HG   GLU  28          HG1       GLU  28   1.203   2.338   7.109
  191    H    CYS  29           HN       CYS  29   1.735   0.945   2.817
  192    HA   CYS  29           HA       CYS  29   2.575  -1.553   1.779
  193   1HB   CYS  29          HB2       CYS  29   2.394   1.279   0.877
  194   2HB   CYS  29          HB1       CYS  29   3.374   0.199  -0.117
  195    H    HIS  30           HN       HIS  30   4.545  -2.548   1.947
  196    HA   HIS  30           HA       HIS  30   6.935  -0.855   2.564
  197   1HB   HIS  30          HB2       HIS  30   5.900  -3.526   3.338
  198   2HB   HIS  30          HB1       HIS  30   7.647  -3.415   3.132
  199    HD1  HIS  30           HD1      HIS  30   8.035  -3.579   5.717
  200    HD2  HIS  30           HD2      HIS  30   5.768  -0.284   4.543
  201    HE1  HIS  30           HE1      HIS  30   7.921  -2.036   7.723
  202    HA   PRO  31           HA       PRO  31   8.906  -2.214  -1.132
  203   1HB   PRO  31          HB2       PRO  31  11.461  -2.763  -0.336
  204   2HB   PRO  31          HB1       PRO  31  10.811  -1.114  -0.410
  205   1HG   PRO  31          HG2       PRO  31  11.284  -2.854   1.934
  206   2HG   PRO  31          HG1       PRO  31  11.362  -1.092   1.797
  207   1HD   PRO  31          HD2       PRO  31   9.263  -2.546   2.906
  208   2HD   PRO  31          HD1       PRO  31   9.186  -0.851   2.381
  209    H    GLN  32           HN       GLN  32   9.506  -4.127  -2.318
  210    HA   GLN  32           HA       GLN  32   8.572  -6.627  -1.385
  211   1HB   GLN  32          HB2       GLN  32   9.765  -5.484  -3.690
  212   2HB   GLN  32          HB1       GLN  32  10.720  -6.914  -3.295
  213   1HG   GLN  32          HG2       GLN  32   7.794  -7.278  -3.085
  214   2HG   GLN  32          HG1       GLN  32   8.390  -6.986  -4.719
  215   1HE2  GLN  32          HE21      GLN  32  10.375  -8.593  -2.252
  216   2HE2  GLN  32          HE22      GLN  32  10.360 -10.121  -2.989
  Start of MODEL   10
    1   1H    TRP   1           HT1      TRP   1  -1.188  10.823  -9.190
    2   2H    TRP   1           HT2      TRP   1  -2.556  11.829  -9.137
    3   3H    TRP   1           HT3      TRP   1  -1.569  11.804 -10.520
    4    HA   TRP   1           HA       TRP   1  -3.674  10.534 -10.799
    5   1HB   TRP   1          HB2       TRP   1  -0.862   9.643 -11.116
    6   2HB   TRP   1          HB1       TRP   1  -2.086   8.398 -11.368
    7    HD1  TRP   1           HD1      TRP   1  -4.323   9.631 -12.868
    8    HE1  TRP   1           HE1      TRP   1  -4.057  10.764 -15.168
    9    HE3  TRP   1           HE3      TRP   1   0.674  10.687 -12.761
   10    HZ2  TRP   1           HZ2      TRP   1  -1.998  11.960 -16.752
   11    HZ3  TRP   1           HZ3      TRP   1   1.759  11.824 -14.677
   12    HH2  TRP   1           HH2      TRP   1   0.430  12.461 -16.672
   13    H    LEU   2           HN       LEU   2  -4.757   8.502 -10.264
   14    HA   LEU   2           HA       LEU   2  -3.967   7.364  -7.601
   15   1HB   LEU   2          HB2       LEU   2  -5.855   8.873  -7.358
   16   2HB   LEU   2          HB1       LEU   2  -6.683   8.119  -8.722
   17    HG   LEU   2           HG       LEU   2  -5.863   6.331  -6.487
   18   1HD1  LEU   2          HD11      LEU   2  -8.058   6.930  -5.331
   19   2HD1  LEU   2          HD12      LEU   2  -8.074   8.392  -6.317
   20   3HD1  LEU   2          HD13      LEU   2  -6.763   8.116  -5.170
   21   1HD2  LEU   2          HD21      LEU   2  -7.436   6.174  -8.798
   22   2HD2  LEU   2          HD22      LEU   2  -8.601   6.212  -7.474
   23   3HD2  LEU   2          HD23      LEU   2  -7.348   4.971  -7.512
   24    H    GLY   3           HN       GLY   3  -4.066   5.108  -7.482
   25   1HA   GLY   3          HA2       GLY   3  -5.684   3.378  -8.981
   26   2HA   GLY   3          HA1       GLY   3  -4.226   3.609  -9.943
   27    H    CYS   4           HN       CYS   4  -2.614   3.947  -7.388
   28    HA   CYS   4           HA       CYS   4  -2.759   1.192  -6.261
   29   1HB   CYS   4          HB2       CYS   4  -0.872   2.226  -8.244
   30   2HB   CYS   4          HB1       CYS   4  -0.058   1.577  -6.823
   31    H    ALA   5           HN       ALA   5  -0.671   1.048  -4.686
   32    HA   ALA   5           HA       ALA   5  -0.704   3.547  -3.026
   33   1HB   ALA   5          HB1       ALA   5  -0.076   0.712  -2.172
   34   2HB   ALA   5          HB2       ALA   5  -1.718   1.350  -2.193
   35   3HB   ALA   5          HB3       ALA   5  -0.503   2.075  -1.140
   36    H    ARG   6           HN       ARG   6   1.355   4.174  -2.065
   37    HA   ARG   6           HA       ARG   6   3.697   3.259  -3.668
   38   1HB   ARG   6          HB2       ARG   6   3.435   5.581  -1.734
   39   2HB   ARG   6          HB1       ARG   6   4.657   5.370  -2.987
   40   1HG   ARG   6          HG2       ARG   6   2.029   5.184  -4.160
   41   2HG   ARG   6          HG1       ARG   6   2.161   6.679  -3.233
   42   1HD   ARG   6          HD2       ARG   6   4.020   7.439  -4.501
   43   2HD   ARG   6          HD1       ARG   6   4.329   5.822  -5.167
   44    HE   ARG   6           HE       ARG   6   1.663   6.920  -5.762
   45   1HH1  ARG   6          HH21      ARG   6   4.978   6.907  -6.673
   46   2HH1  ARG   6          HH22      ARG   6   4.653   6.940  -8.373
   47   1HH2  ARG   6          HH11      ARG   6   1.210   6.772  -7.987
   48   2HH2  ARG   6          HH12      ARG   6   2.521   6.860  -9.117
   49    H    VAL   7           HN       VAL   7   5.741   3.918  -1.876
   50    HA   VAL   7           HA       VAL   7   5.622   1.627  -0.031
   51    HB   VAL   7           HB       VAL   7   7.561   2.319  -1.540
   52   1HG1  VAL   7          HG11      VAL   7   8.734   4.115   0.385
   53   2HG1  VAL   7          HG12      VAL   7   7.178   4.757  -0.144
   54   3HG1  VAL   7          HG13      VAL   7   8.428   4.385  -1.332
   55   1HG2  VAL   7          HG21      VAL   7   8.882   1.111  -0.149
   56   2HG2  VAL   7          HG22      VAL   7   7.510   1.107   0.959
   57   3HG2  VAL   7          HG23      VAL   7   8.775   2.325   1.127
   58    H    LYS   8           HN       LYS   8   3.750   3.267   0.949
   59    HA   LYS   8           HA       LYS   8   4.336   3.764   3.584
   60   1HB   LYS   8          HB2       LYS   8   5.582   5.675   1.814
   61   2HB   LYS   8          HB1       LYS   8   4.427   6.501   2.859
   62   1HG   LYS   8          HG2       LYS   8   5.751   4.675   4.535
   63   2HG   LYS   8          HG1       LYS   8   7.017   5.387   3.534
   64   1HD   LYS   8          HD2       LYS   8   6.865   6.906   5.314
   65   2HD   LYS   8          HD1       LYS   8   5.842   7.651   4.086
   66   1HE   LYS   8          HE2       LYS   8   3.921   7.289   5.289
   67   2HE   LYS   8          HE1       LYS   8   4.481   5.716   5.892
   68   1HZ   LYS   8          HZ1       LYS   8   5.924   6.758   7.423
   69   2HZ   LYS   8          HZ2       LYS   8   4.433   7.554   7.588
   70   3HZ   LYS   8          HZ3       LYS   8   5.700   8.287   6.727
   71    H    GLU   9           HN       GLU   9   2.115   3.085   1.866
   72    HA   GLU   9           HA       GLU   9   0.173   5.262   2.591
   73   1HB   GLU   9          HB2       GLU   9   0.637   4.989   0.157
   74   2HB   GLU   9          HB1       GLU   9   0.142   3.300   0.273
   75   1HG   GLU   9          HG2       GLU   9  -1.717   4.689  -0.545
   76   2HG   GLU   9          HG1       GLU   9  -2.098   4.015   1.040
   77    H    ALA  10           HN       ALA  10  -1.539   4.675   3.747
   78    HA   ALA  10           HA       ALA  10  -1.739   2.378   5.297
   79   1HB   ALA  10          HB1       ALA  10  -3.318   4.649   4.431
   80   2HB   ALA  10          HB2       ALA  10  -3.321   3.831   5.994
   81   3HB   ALA  10          HB3       ALA  10  -4.345   3.237   4.684
   82    H    CYS  11           HN       CYS  11  -1.806   0.279   4.542
   83    HA   CYS  11           HA       CYS  11  -3.867  -0.420   2.525
   84   1HB   CYS  11          HB2       CYS  11  -2.268  -1.364   1.009
   85   2HB   CYS  11          HB1       CYS  11  -1.648   0.230   1.432
   86    H    GLY  12           HN       GLY  12  -3.846  -2.930   2.253
   87   1HA   GLY  12          HA2       GLY  12  -2.799  -4.946   3.574
   88   2HA   GLY  12          HA1       GLY  12  -3.490  -4.108   4.963
   89    HA   PRO  13           HA       PRO  13  -7.209  -6.297   4.265
   90   1HB   PRO  13          HB2       PRO  13  -8.984  -4.599   5.477
   91   2HB   PRO  13          HB1       PRO  13  -7.841  -5.613   6.383
   92   1HG   PRO  13          HG2       PRO  13  -7.665  -2.720   5.692
   93   2HG   PRO  13          HG1       PRO  13  -7.219  -3.552   7.190
   94   1HD   PRO  13          HD2       PRO  13  -5.404  -2.775   5.318
   95   2HD   PRO  13          HD1       PRO  13  -5.163  -4.174   6.389
   96    H    TRP  14           HN       TRP  14  -8.834  -3.206   4.246
   97    HA   TRP  14           HA       TRP  14  -9.335  -3.527   1.304
   98   1HB   TRP  14          HB2       TRP  14 -11.044  -3.445   3.592
   99   2HB   TRP  14          HB1       TRP  14 -11.338  -1.981   2.655
  100    HD1  TRP  14           HD1      TRP  14 -10.549  -5.598   1.517
  101    HE1  TRP  14           HE1      TRP  14 -12.348  -6.310  -0.187
  102    HE3  TRP  14           HE3      TRP  14 -13.508  -1.434   1.564
  103    HZ2  TRP  14           HZ2      TRP  14 -14.726  -5.254  -1.373
  104    HZ3  TRP  14           HZ3      TRP  14 -15.531  -1.314   0.138
  105    HH2  TRP  14           HH2      TRP  14 -16.143  -3.218  -1.329
  106    H    GLU  15           HN       GLU  15  -7.165  -1.958   2.585
  107    HA   GLU  15           HA       GLU  15  -8.027   0.859   2.270
  108   1HB   GLU  15          HB2       GLU  15  -5.578  -0.624   3.218
  109   2HB   GLU  15          HB1       GLU  15  -5.508   1.111   2.907
  110   1HG   GLU  15          HG2       GLU  15  -7.425  -0.282   4.801
  111   2HG   GLU  15          HG1       GLU  15  -6.035   0.701   5.268
  112    H    TRP  16           HN       TRP  16  -6.091   2.175   1.074
  113    HA   TRP  16           HA       TRP  16  -6.290   1.895  -1.666
  114   1HB   TRP  16          HB2       TRP  16  -4.126   2.859   0.186
  115   2HB   TRP  16          HB1       TRP  16  -3.860   2.900  -1.555
  116    HD1  TRP  16           HD1      TRP  16  -3.845   5.642  -1.031
  117    HE1  TRP  16           HE1      TRP  16  -5.822   7.290  -1.136
  118    HE3  TRP  16           HE3      TRP  16  -7.765   2.370  -0.669
  119    HZ2  TRP  16           HZ2      TRP  16  -8.675   7.236  -1.074
  120    HZ3  TRP  16           HZ3      TRP  16 -10.094   3.202  -0.694
  121    HH2  TRP  16           HH2      TRP  16 -10.556   5.629  -0.896
  122    HA   PRO  17           HA       PRO  17  -4.288  -1.992  -2.431
  123   1HB   PRO  17          HB2       PRO  17  -4.327  -1.850  -5.161
  124   2HB   PRO  17          HB1       PRO  17  -5.764  -2.239  -4.195
  125   1HG   PRO  17          HG2       PRO  17  -4.975   0.334  -5.463
  126   2HG   PRO  17          HG1       PRO  17  -6.576  -0.404  -5.309
  127   1HD   PRO  17          HD2       PRO  17  -5.690   1.631  -3.719
  128   2HD   PRO  17          HD1       PRO  17  -6.905   0.439  -3.207
  129    H    CYS  18           HN       CYS  18  -2.166  -2.648  -2.958
  130    HA   CYS  18           HA       CYS  18  -0.259  -0.441  -3.617
  131   1HB   CYS  18          HB2       CYS  18  -0.360  -2.259  -1.570
  132   2HB   CYS  18          HB1       CYS  18   0.704  -3.087  -2.705
  133    H    CYS  19           HN       CYS  19   0.991  -0.589  -5.491
  134    HA   CYS  19           HA       CYS  19   0.262  -2.580  -7.490
  135   1HB   CYS  19          HB2       CYS  19   1.821  -0.107  -7.249
  136   2HB   CYS  19          HB1       CYS  19   2.521  -1.257  -8.387
  137    H    SER  20           HN       SER  20   2.810  -3.047  -8.673
  138    HA   SER  20           HA       SER  20   3.728  -5.290  -7.025
  139   1HB   SER  20          HB2       SER  20   3.906  -5.944  -9.194
  140   2HB   SER  20          HB1       SER  20   3.908  -4.282  -9.775
  141    HG   SER  20           HG       SER  20   5.934  -5.879  -9.707
  142    H    GLY  21           HN       GLY  21   5.809  -5.482  -6.086
  143   1HA   GLY  21          HA2       GLY  21   8.047  -4.731  -5.588
  144   2HA   GLY  21          HA1       GLY  21   7.631  -3.145  -6.242
  145    H    LEU  22           HN       LEU  22   5.048  -4.022  -4.399
  146    HA   LEU  22           HA       LEU  22   6.218  -2.932  -1.868
  147   1HB   LEU  22          HB2       LEU  22   3.667  -2.075  -3.276
  148   2HB   LEU  22          HB1       LEU  22   4.250  -1.435  -1.739
  149    HG   LEU  22           HG       LEU  22   5.948  -1.345  -4.235
  150   1HD1  LEU  22          HD11      LEU  22   5.070   0.767  -4.815
  151   2HD1  LEU  22          HD12      LEU  22   4.277   0.965  -3.252
  152   3HD1  LEU  22          HD13      LEU  22   3.633  -0.180  -4.429
  153   1HD2  LEU  22          HD21      LEU  22   6.197  -0.537  -1.460
  154   2HD2  LEU  22          HD22      LEU  22   6.364   0.857  -2.527
  155   3HD2  LEU  22          HD23      LEU  22   7.423  -0.540  -2.728
  156    H    LYS  23           HN       LYS  23   5.575  -4.130  -0.113
  157    HA   LYS  23           HA       LYS  23   3.132  -5.851  -0.395
  158   1HB   LYS  23          HB2       LYS  23   5.289  -7.077  -0.594
  159   2HB   LYS  23          HB1       LYS  23   5.769  -6.455   0.986
  160   1HG   LYS  23          HG2       LYS  23   3.518  -7.493   1.807
  161   2HG   LYS  23          HG1       LYS  23   3.604  -8.436   0.319
  162   1HD   LYS  23          HD2       LYS  23   4.686  -9.760   1.989
  163   2HD   LYS  23          HD1       LYS  23   5.980  -9.065   1.011
  164   1HE   LYS  23          HE2       LYS  23   6.687  -8.688   3.253
  165   2HE   LYS  23          HE1       LYS  23   5.970  -7.137   2.773
  166   1HZ   LYS  23          HZ1       LYS  23   3.818  -8.006   3.636
  167   2HZ   LYS  23          HZ2       LYS  23   4.993  -7.765   4.839
  168   3HZ   LYS  23          HZ3       LYS  23   4.655  -9.334   4.279
  169    H    CYS  24           HN       CYS  24   1.636  -5.059   1.042
  170    HA   CYS  24           HA       CYS  24   2.068  -3.253   3.151
  171   1HB   CYS  24          HB2       CYS  24   0.010  -5.456   2.805
  172   2HB   CYS  24          HB1       CYS  24  -0.152  -4.112   3.936
  173    H    ASP  25           HN       ASP  25   3.648  -3.675   4.695
  174    HA   ASP  25           HA       ASP  25   3.919  -6.381   5.850
  175   1HB   ASP  25          HB2       ASP  25   5.611  -4.261   5.270
  176   2HB   ASP  25          HB1       ASP  25   5.448  -4.170   7.024
  177    H    GLY  26           HN       GLY  26   1.468  -5.795   6.617
  178   1HA   GLY  26          HA2       GLY  26   0.675  -6.047   8.982
  179   2HA   GLY  26          HA1       GLY  26   1.741  -4.703   9.390
  180    H    SER  27           HN       SER  27   1.262  -2.673   7.926
  181    HA   SER  27           HA       SER  27  -1.598  -2.367   7.227
  182   1HB   SER  27          HB2       SER  27  -1.450  -0.305   8.927
  183   2HB   SER  27          HB1       SER  27  -1.914  -1.914   9.476
  184    HG   SER  27           HG       SER  27   0.732  -0.873   9.451
  185    H    GLU  28           HN       GLU  28   1.436  -1.850   6.313
  186    HA   GLU  28           HA       GLU  28   0.760   0.680   4.904
  187   1HB   GLU  28          HB2       GLU  28   3.105   0.182   6.755
  188   2HB   GLU  28          HB1       GLU  28   3.069   1.517   5.603
  189   1HG   GLU  28          HG2       GLU  28   0.621   1.773   6.812
  190   2HG   GLU  28          HG1       GLU  28   1.617   1.196   8.148
  191    H    CYS  29           HN       CYS  29   1.728   0.788   2.858
  192    HA   CYS  29           HA       CYS  29   2.750  -1.616   1.662
  193   1HB   CYS  29          HB2       CYS  29   2.517   1.292   0.952
  194   2HB   CYS  29          HB1       CYS  29   3.447   0.229  -0.103
  195    H    HIS  30           HN       HIS  30   4.740  -2.469   2.169
  196    HA   HIS  30           HA       HIS  30   6.986  -0.593   2.803
  197   1HB   HIS  30          HB2       HIS  30   6.219  -3.407   3.524
  198   2HB   HIS  30          HB1       HIS  30   7.918  -2.938   3.601
  199    HD1  HIS  30           HD1      HIS  30   8.551  -1.019   5.291
  200    HD2  HIS  30           HD2      HIS  30   4.594  -2.303   5.547
  201    HE1  HIS  30           HE1      HIS  30   7.639  -0.099   7.467
  202    HA   PRO  31           HA       PRO  31   9.178  -1.831  -0.799
  203   1HB   PRO  31          HB2       PRO  31  11.745  -2.087   0.110
  204   2HB   PRO  31          HB1       PRO  31  10.939  -0.515  -0.065
  205   1HG   PRO  31          HG2       PRO  31  11.411  -2.137   2.379
  206   2HG   PRO  31          HG1       PRO  31  11.453  -0.382   2.163
  207   1HD   PRO  31          HD2       PRO  31   9.356  -1.747   3.288
  208   2HD   PRO  31          HD1       PRO  31   9.205  -0.164   2.494
  209    H    GLN  32           HN       GLN  32   8.365  -3.945  -1.259
  210    HA   GLN  32           HA       GLN  32   9.137  -6.314   0.205
  211   1HB   GLN  32          HB2       GLN  32   7.082  -6.178  -1.085
  212   2HB   GLN  32          HB1       GLN  32   7.984  -5.820  -2.557
  213   1HG   GLN  32          HG2       GLN  32   9.072  -8.037  -2.427
  214   2HG   GLN  32          HG1       GLN  32   8.149  -8.399  -0.968
  215   1HE2  GLN  32          HE21      GLN  32   7.696  -7.562  -4.439
  216   2HE2  GLN  32          HE22      GLN  32   6.211  -8.368  -4.593
  Start of MODEL   11
    1   1H    TRP   1           HT1      TRP   1  -1.773  10.760  -7.556
    2   2H    TRP   1           HT2      TRP   1  -1.485   9.173  -8.087
    3   3H    TRP   1           HT3      TRP   1  -0.208  10.111  -7.478
    4    HA   TRP   1           HA       TRP   1  -0.796   8.613  -5.749
    5   1HB   TRP   1          HB2       TRP   1  -1.387  11.501  -5.680
    6   2HB   TRP   1          HB1       TRP   1  -2.093  10.591  -4.344
    7    HD1  TRP   1           HD1      TRP   1   1.072  12.119  -5.451
    8    HE1  TRP   1           HE1      TRP   1   3.019  11.391  -3.925
    9    HE3  TRP   1           HE3      TRP   1  -1.178   8.301  -2.917
   10    HZ2  TRP   1           HZ2      TRP   1   3.549   9.444  -1.896
   11    HZ3  TRP   1           HZ3      TRP   1   0.069   7.028  -1.196
   12    HH2  TRP   1           HH2      TRP   1   2.427   7.594  -0.682
   13    H    LEU   2           HN       LEU   2  -2.455   7.203  -6.922
   14    HA   LEU   2           HA       LEU   2  -4.895   7.048  -5.413
   15   1HB   LEU   2          HB2       LEU   2  -5.434   9.053  -6.710
   16   2HB   LEU   2          HB1       LEU   2  -5.024   8.219  -8.210
   17    HG   LEU   2           HG       LEU   2  -6.837   6.603  -7.827
   18   1HD1  LEU   2          HD11      LEU   2  -6.930   8.036  -5.215
   19   2HD1  LEU   2          HD12      LEU   2  -7.206   6.332  -5.571
   20   3HD1  LEU   2          HD13      LEU   2  -8.471   7.516  -5.898
   21   1HD2  LEU   2          HD21      LEU   2  -8.771   8.300  -7.894
   22   2HD2  LEU   2          HD22      LEU   2  -7.512   8.489  -9.116
   23   3HD2  LEU   2          HD23      LEU   2  -7.535   9.544  -7.703
   24    H    GLY   3           HN       GLY   3  -3.152   6.274  -8.382
   25   1HA   GLY   3          HA2       GLY   3  -4.653   4.040  -9.253
   26   2HA   GLY   3          HA1       GLY   3  -2.921   4.235  -9.526
   27    H    CYS   4           HN       CYS   4  -1.994   4.211  -6.882
   28    HA   CYS   4           HA       CYS   4  -3.048   1.829  -5.516
   29   1HB   CYS   4          HB2       CYS   4  -0.939   0.556  -5.872
   30   2HB   CYS   4          HB1       CYS   4  -1.766   0.889  -7.394
   31    H    ALA   5           HN       ALA   5  -0.996   1.202  -3.868
   32    HA   ALA   5           HA       ALA   5  -0.475   3.768  -2.434
   33   1HB   ALA   5          HB1       ALA   5  -0.614   0.846  -1.671
   34   2HB   ALA   5          HB2       ALA   5  -1.656   2.160  -1.132
   35   3HB   ALA   5          HB3       ALA   5   0.010   2.065  -0.562
   36    H    ARG   6           HN       ARG   6   1.602   4.531  -2.315
   37    HA   ARG   6           HA       ARG   6   3.777   3.025  -3.603
   38   1HB   ARG   6          HB2       ARG   6   3.482   5.748  -2.301
   39   2HB   ARG   6          HB1       ARG   6   4.996   5.189  -3.012
   40   1HG   ARG   6          HG2       ARG   6   4.256   5.856  -5.027
   41   2HG   ARG   6          HG1       ARG   6   2.971   4.651  -4.917
   42   1HD   ARG   6          HD2       ARG   6   2.063   6.713  -3.273
   43   2HD   ARG   6          HD1       ARG   6   2.789   7.556  -4.656
   44    HE   ARG   6           HE       ARG   6   0.490   5.715  -4.776
   45   1HH1  ARG   6          HH21      ARG   6   3.263   6.392  -6.591
   46   2HH1  ARG   6          HH22      ARG   6   2.416   6.736  -8.061
   47   1HH2  ARG   6          HH11      ARG   6  -0.723   6.584  -6.600
   48   2HH2  ARG   6          HH12      ARG   6   0.160   6.845  -8.066
   49    H    VAL   7           HN       VAL   7   5.922   3.986  -1.958
   50    HA   VAL   7           HA       VAL   7   5.828   1.982   0.195
   51    HB   VAL   7           HB       VAL   7   7.926   3.932  -0.811
   52   1HG1  VAL   7          HG11      VAL   7   9.017   1.678   0.577
   53   2HG1  VAL   7          HG12      VAL   7   7.825   2.447   1.623
   54   3HG1  VAL   7          HG13      VAL   7   9.172   3.388   0.981
   55   1HG2  VAL   7          HG21      VAL   7   8.402   1.075  -1.147
   56   2HG2  VAL   7          HG22      VAL   7   8.433   2.360  -2.355
   57   3HG2  VAL   7          HG23      VAL   7   6.907   1.582  -1.935
   58    H    LYS   8           HN       LYS   8   3.951   3.744   0.942
   59    HA   LYS   8           HA       LYS   8   4.620   4.654   3.464
   60   1HB   LYS   8          HB2       LYS   8   4.768   7.170   2.930
   61   2HB   LYS   8          HB1       LYS   8   6.187   6.207   2.536
   62   1HG   LYS   8          HG2       LYS   8   4.674   5.988   0.235
   63   2HG   LYS   8          HG1       LYS   8   4.338   7.638   0.754
   64   1HD   LYS   8          HD2       LYS   8   7.116   7.231   1.126
   65   2HD   LYS   8          HD1       LYS   8   6.724   6.593  -0.472
   66   1HE   LYS   8          HE2       LYS   8   5.428   9.178   0.169
   67   2HE   LYS   8          HE1       LYS   8   7.194   9.242   0.004
   68   1HZ   LYS   8          HZ1       LYS   8   6.768   7.725  -2.020
   69   2HZ   LYS   8          HZ2       LYS   8   6.491   9.394  -2.179
   70   3HZ   LYS   8          HZ3       LYS   8   5.185   8.330  -1.953
   71    H    GLU   9           HN       GLU   9   2.386   3.513   2.186
   72    HA   GLU   9           HA       GLU   9   0.308   5.632   2.645
   73   1HB   GLU   9          HB2       GLU   9   0.537   5.284   0.258
   74   2HB   GLU   9          HB1       GLU   9   0.533   3.533   0.466
   75   1HG   GLU   9          HG2       GLU   9  -1.675   4.506  -0.301
   76   2HG   GLU   9          HG1       GLU   9  -1.769   3.544   1.174
   77    H    ALA  10           HN       ALA  10  -1.497   4.957   3.699
   78    HA   ALA  10           HA       ALA  10  -1.313   2.711   5.468
   79   1HB   ALA  10          HB1       ALA  10  -3.799   4.210   4.656
   80   2HB   ALA  10          HB2       ALA  10  -2.520   4.996   5.581
   81   3HB   ALA  10          HB3       ALA  10  -3.363   3.600   6.253
   82    H    CYS  11           HN       CYS  11  -0.978   0.929   3.882
   83    HA   CYS  11           HA       CYS  11  -3.257   0.217   2.137
   84   1HB   CYS  11          HB2       CYS  11  -1.145  -0.096   1.145
   85   2HB   CYS  11          HB1       CYS  11  -0.433  -0.713   2.634
   86    H    GLY  12           HN       GLY  12  -4.245  -1.943   2.323
   87   1HA   GLY  12          HA2       GLY  12  -3.833  -3.802   4.392
   88   2HA   GLY  12          HA1       GLY  12  -4.990  -2.625   5.016
   89    HA   PRO  13           HA       PRO  13  -7.204  -5.832   2.462
   90   1HB   PRO  13          HB2       PRO  13  -8.877  -6.698   4.449
   91   2HB   PRO  13          HB1       PRO  13  -7.278  -7.410   4.154
   92   1HG   PRO  13          HG2       PRO  13  -8.121  -5.442   6.220
   93   2HG   PRO  13          HG1       PRO  13  -6.985  -6.795   6.344
   94   1HD   PRO  13          HD2       PRO  13  -6.211  -4.190   6.078
   95   2HD   PRO  13          HD1       PRO  13  -5.234  -5.571   5.528
   96    H    TRP  14           HN       TRP  14  -8.047  -3.210   4.584
   97    HA   TRP  14           HA       TRP  14 -10.794  -2.988   3.467
   98   1HB   TRP  14          HB2       TRP  14  -9.209  -1.682   5.684
   99   2HB   TRP  14          HB1       TRP  14 -10.777  -1.049   5.180
  100    HD1  TRP  14           HD1      TRP  14 -10.551  -4.736   4.816
  101    HE1  TRP  14           HE1      TRP  14 -11.856  -5.902   6.710
  102    HE3  TRP  14           HE3      TRP  14 -11.375  -0.753   7.904
  103    HZ2  TRP  14           HZ2      TRP  14 -13.088  -5.233   9.205
  104    HZ3  TRP  14           HZ3      TRP  14 -12.614  -1.044  10.029
  105    HH2  TRP  14           HH2      TRP  14 -13.472  -3.277  10.684
  106    H    GLU  15           HN       GLU  15  -7.877  -2.212   2.300
  107    HA   GLU  15           HA       GLU  15  -8.882   0.316   1.051
  108   1HB   GLU  15          HB2       GLU  15  -6.098  -0.211   2.143
  109   2HB   GLU  15          HB1       GLU  15  -6.653   1.290   1.400
  110   1HG   GLU  15          HG2       GLU  15  -8.455   1.365   3.206
  111   2HG   GLU  15          HG1       GLU  15  -7.568   0.070   4.012
  112    H    TRP  16           HN       TRP  16  -6.333   0.645  -0.363
  113    HA   TRP  16           HA       TRP  16  -6.721  -1.443  -2.441
  114   1HB   TRP  16          HB2       TRP  16  -6.671   1.235  -2.565
  115   2HB   TRP  16          HB1       TRP  16  -4.940   0.941  -2.730
  116    HD1  TRP  16           HD1      TRP  16  -4.099  -0.347  -4.853
  117    HE1  TRP  16           HE1      TRP  16  -5.185  -0.819  -7.149
  118    HE3  TRP  16           HE3      TRP  16  -8.955   0.750  -3.758
  119    HZ2  TRP  16           HZ2      TRP  16  -7.783  -0.737  -8.353
  120    HZ3  TRP  16           HZ3      TRP  16 -10.717   0.547  -5.490
  121    HH2  TRP  16           HH2      TRP  16 -10.137  -0.194  -7.784
  122    HA   PRO  17           HA       PRO  17  -2.944  -3.411  -1.273
  123   1HB   PRO  17          HB2       PRO  17  -2.361  -4.630  -3.659
  124   2HB   PRO  17          HB1       PRO  17  -3.624  -5.210  -2.554
  125   1HG   PRO  17          HG2       PRO  17  -3.884  -3.543  -5.015
  126   2HG   PRO  17          HG1       PRO  17  -4.889  -4.891  -4.456
  127   1HD   PRO  17          HD2       PRO  17  -5.638  -2.313  -4.157
  128   2HD   PRO  17          HD1       PRO  17  -6.075  -3.574  -2.983
  129    H    CYS  18           HN       CYS  18  -0.680  -3.090  -1.534
  130    HA   CYS  18           HA       CYS  18   0.248  -0.588  -2.444
  131   1HB   CYS  18          HB2       CYS  18   1.700  -3.240  -2.178
  132   2HB   CYS  18          HB1       CYS  18   2.470  -1.652  -2.184
  133    H    CYS  19           HN       CYS  19   1.850  -0.235  -4.257
  134    HA   CYS  19           HA       CYS  19   0.739  -1.044  -6.799
  135   1HB   CYS  19          HB2       CYS  19   3.475   0.127  -6.229
  136   2HB   CYS  19          HB1       CYS  19   2.498   0.341  -7.679
  137    H    SER  20           HN       SER  20   2.792  -1.738  -8.439
  138    HA   SER  20           HA       SER  20   3.271  -4.529  -7.773
  139   1HB   SER  20          HB2       SER  20   3.153  -2.911 -10.036
  140   2HB   SER  20          HB1       SER  20   4.854  -3.361  -9.940
  141    HG   SER  20           HG       SER  20   3.149  -4.819 -11.007
  142    H    GLY  21           HN       GLY  21   5.019  -5.329  -6.668
  143   1HA   GLY  21          HA2       GLY  21   7.446  -5.439  -6.331
  144   2HA   GLY  21          HA1       GLY  21   7.516  -3.697  -6.603
  145    H    LEU  22           HN       LEU  22   4.915  -3.663  -4.857
  146    HA   LEU  22           HA       LEU  22   6.395  -3.507  -2.260
  147   1HB   LEU  22          HB2       LEU  22   3.996  -2.148  -3.483
  148   2HB   LEU  22          HB1       LEU  22   4.274  -2.086  -1.741
  149    HG   LEU  22           HG       LEU  22   6.499  -1.399  -3.644
  150   1HD1  LEU  22          HD11      LEU  22   4.233  -0.095  -4.023
  151   2HD1  LEU  22          HD12      LEU  22   5.760   0.784  -3.954
  152   3HD1  LEU  22          HD13      LEU  22   4.706   0.737  -2.541
  153   1HD2  LEU  22          HD21      LEU  22   6.423  -1.675  -0.947
  154   2HD2  LEU  22          HD22      LEU  22   5.996   0.029  -1.087
  155   3HD2  LEU  22          HD23      LEU  22   7.514  -0.558  -1.768
  156    H    LYS  23           HN       LYS  23   4.799  -3.902  -0.332
  157    HA   LYS  23           HA       LYS  23   2.727  -5.942  -0.849
  158   1HB   LYS  23          HB2       LYS  23   5.494  -6.471   0.111
  159   2HB   LYS  23          HB1       LYS  23   4.201  -7.330   0.949
  160   1HG   LYS  23          HG2       LYS  23   3.530  -7.536  -1.757
  161   2HG   LYS  23          HG1       LYS  23   5.278  -7.778  -1.717
  162   1HD   LYS  23          HD2       LYS  23   5.100  -9.766  -0.634
  163   2HD   LYS  23          HD1       LYS  23   3.821  -9.177   0.428
  164   1HE   LYS  23          HE2       LYS  23   3.382  -9.899  -2.492
  165   2HE   LYS  23          HE1       LYS  23   3.029 -10.983  -1.132
  166   1HZ   LYS  23          HZ1       LYS  23   1.841  -8.866  -0.214
  167   2HZ   LYS  23          HZ2       LYS  23   1.043  -9.882  -1.317
  168   3HZ   LYS  23          HZ3       LYS  23   1.756  -8.436  -1.852
  169    H    CYS  24           HN       CYS  24   1.126  -5.568   0.636
  170    HA   CYS  24           HA       CYS  24   1.323  -3.663   2.754
  171   1HB   CYS  24          HB2       CYS  24  -0.626  -5.105   1.439
  172   2HB   CYS  24          HB1       CYS  24  -0.652  -5.836   3.043
  173    H    ASP  25           HN       ASP  25   3.199  -4.252   4.039
  174    HA   ASP  25           HA       ASP  25   3.200  -6.906   5.355
  175   1HB   ASP  25          HB2       ASP  25   5.274  -6.108   4.451
  176   2HB   ASP  25          HB1       ASP  25   5.082  -4.539   5.236
  177    H    GLY  26           HN       GLY  26   1.019  -5.859   6.392
  178   1HA   GLY  26          HA2       GLY  26   0.567  -5.852   8.862
  179   2HA   GLY  26          HA1       GLY  26   1.863  -4.665   9.002
  180    H    SER  27           HN       SER  27   1.472  -2.684   7.475
  181    HA   SER  27           HA       SER  27  -1.354  -1.983   7.055
  182   1HB   SER  27          HB2       SER  27   0.187  -1.276   9.462
  183   2HB   SER  27          HB1       SER  27  -0.593   0.101   8.689
  184    HG   SER  27           HG       SER  27  -2.549  -0.912   8.888
  185    H    GLU  28           HN       GLU  28   2.039  -0.980   7.146
  186    HA   GLU  28           HA       GLU  28   1.478   1.222   5.220
  187   1HB   GLU  28          HB2       GLU  28   4.032   0.396   6.641
  188   2HB   GLU  28          HB1       GLU  28   3.736   1.928   5.820
  189   1HG   GLU  28          HG2       GLU  28   1.899   2.408   7.426
  190   2HG   GLU  28          HG1       GLU  28   2.275   0.907   8.274
  191    H    CYS  29           HN       CYS  29   2.042   1.010   3.070
  192    HA   CYS  29           HA       CYS  29   2.649  -1.478   1.873
  193   1HB   CYS  29          HB2       CYS  29   2.786   1.418   1.131
  194   2HB   CYS  29          HB1       CYS  29   3.532   0.253   0.036
  195    H    HIS  30           HN       HIS  30   4.461  -2.586   2.672
  196    HA   HIS  30           HA       HIS  30   7.028  -1.176   3.036
  197   1HB   HIS  30          HB2       HIS  30   5.786  -3.803   3.663
  198   2HB   HIS  30          HB1       HIS  30   7.535  -3.810   3.437
  199    HD1  HIS  30           HD1      HIS  30   8.521  -3.740   5.734
  200    HD2  HIS  30           HD2      HIS  30   5.341  -1.074   5.342
  201    HE1  HIS  30           HE1      HIS  30   8.400  -2.442   7.907
  202    HA   PRO  31           HA       PRO  31   8.444  -2.132  -1.032
  203   1HB   PRO  31          HB2       PRO  31  11.125  -1.794  -0.596
  204   2HB   PRO  31          HB1       PRO  31   9.990  -0.437  -0.730
  205   1HG   PRO  31          HG2       PRO  31  11.172  -1.682   1.700
  206   2HG   PRO  31          HG1       PRO  31  10.837   0.021   1.353
  207   1HD   PRO  31          HD2       PRO  31   9.252  -1.540   2.937
  208   2HD   PRO  31          HD1       PRO  31   8.656  -0.138   2.022
  209    H    GLN  32           HN       GLN  32   7.897  -4.426  -0.977
  210    HA   GLN  32           HA       GLN  32  10.194  -6.195  -1.067
  211   1HB   GLN  32          HB2       GLN  32   9.824  -5.803   1.397
  212   2HB   GLN  32          HB1       GLN  32   8.233  -6.542   1.221
  213   1HG   GLN  32          HG2       GLN  32   9.694  -8.462   0.050
  214   2HG   GLN  32          HG1       GLN  32  10.930  -7.808   1.124
  215   1HE2  GLN  32          HE21      GLN  32  10.974  -9.307   2.837
  216   2HE2  GLN  32          HE22      GLN  32   9.608  -9.774   3.731
  Start of MODEL   12
    1   1H    TRP   1           HT1      TRP   1   0.075   8.091 -11.073
    2   2H    TRP   1           HT2      TRP   1   0.098   9.534 -11.969
    3   3H    TRP   1           HT3      TRP   1   1.546   8.882 -11.365
    4    HA   TRP   1           HA       TRP   1   0.007   8.115 -13.723
    5   1HB   TRP   1          HB2       TRP   1   2.192   9.373 -13.610
    6   2HB   TRP   1          HB1       TRP   1   2.923   7.926 -12.915
    7    HD1  TRP   1           HD1      TRP   1   0.695   6.318 -15.051
    8    HE1  TRP   1           HE1      TRP   1   1.651   5.864 -17.402
    9    HE3  TRP   1           HE3      TRP   1   4.625   9.573 -15.046
   10    HZ2  TRP   1           HZ2      TRP   1   3.800   6.766 -19.063
   11    HZ3  TRP   1           HZ3      TRP   1   6.111   9.757 -17.022
   12    HH2  TRP   1           HH2      TRP   1   5.703   8.359 -19.029
   13    H    LEU   2           HN       LEU   2  -1.084   6.475 -12.028
   14    HA   LEU   2           HA       LEU   2  -0.411   3.843 -12.774
   15   1HB   LEU   2          HB2       LEU   2   1.460   4.992 -10.983
   16   2HB   LEU   2          HB1       LEU   2   0.529   3.828 -10.042
   17    HG   LEU   2           HG       LEU   2   1.550   3.062 -12.761
   18   1HD1  LEU   2          HD11      LEU   2   3.178   2.452 -10.326
   19   2HD1  LEU   2          HD12      LEU   2   3.349   4.045 -11.065
   20   3HD1  LEU   2          HD13      LEU   2   3.689   2.594 -12.008
   21   1HD2  LEU   2          HD21      LEU   2   0.217   1.350 -11.964
   22   2HD2  LEU   2          HD22      LEU   2   0.539   1.745 -10.276
   23   3HD2  LEU   2          HD23      LEU   2   1.746   0.876 -11.224
   24    H    GLY   3           HN       GLY   3  -1.216   5.550  -9.744
   25   1HA   GLY   3          HA2       GLY   3  -3.268   5.521  -8.551
   26   2HA   GLY   3          HA1       GLY   3  -3.930   4.444  -9.781
   27    H    CYS   4           HN       CYS   4  -1.431   4.398  -7.218
   28    HA   CYS   4           HA       CYS   4  -2.554   1.870  -6.173
   29   1HB   CYS   4          HB2       CYS   4  -0.544   0.603  -6.605
   30   2HB   CYS   4          HB1       CYS   4  -1.016   1.359  -8.126
   31    H    ALA   5           HN       ALA   5  -1.149   1.171  -4.202
   32    HA   ALA   5           HA       ALA   5  -0.645   3.551  -2.554
   33   1HB   ALA   5          HB1       ALA   5  -0.495   0.556  -2.085
   34   2HB   ALA   5          HB2       ALA   5  -1.829   1.626  -1.651
   35   3HB   ALA   5          HB3       ALA   5  -0.281   1.763  -0.816
   36    H    ARG   6           HN       ARG   6   1.366   4.430  -2.227
   37    HA   ARG   6           HA       ARG   6   3.713   3.206  -3.507
   38   1HB   ARG   6          HB2       ARG   6   3.074   5.762  -2.028
   39   2HB   ARG   6          HB1       ARG   6   4.724   5.376  -2.513
   40   1HG   ARG   6          HG2       ARG   6   4.297   5.730  -4.724
   41   2HG   ARG   6          HG1       ARG   6   2.681   5.028  -4.624
   42   1HD   ARG   6          HD2       ARG   6   3.065   7.603  -3.179
   43   2HD   ARG   6          HD1       ARG   6   3.075   7.683  -4.951
   44    HE   ARG   6           HE       ARG   6   0.937   5.980  -4.024
   45   1HH1  ARG   6          HH11      ARG   6   0.503   8.395  -2.329
   46   2HH1  ARG   6          HH12      ARG   6  -0.473   9.396  -3.352
   47   1HH2  ARG   6          HH21      ARG   6   0.291   7.644  -6.245
   48   2HH2  ARG   6          HH22      ARG   6  -0.594   8.970  -5.567
   49    H    VAL   7           HN       VAL   7   5.716   4.027  -1.709
   50    HA   VAL   7           HA       VAL   7   5.517   1.916   0.347
   51    HB   VAL   7           HB       VAL   7   7.480   2.290  -1.220
   52   1HG1  VAL   7          HG11      VAL   7   8.773   4.315   0.340
   53   2HG1  VAL   7          HG12      VAL   7   7.210   4.936  -0.189
   54   3HG1  VAL   7          HG13      VAL   7   8.373   4.348  -1.377
   55   1HG2  VAL   7          HG21      VAL   7   9.029   2.545   1.086
   56   2HG2  VAL   7          HG22      VAL   7   8.394   1.036   0.427
   57   3HG2  VAL   7          HG23      VAL   7   7.497   1.899   1.676
   58    H    LYS   8           HN       LYS   8   3.754   3.531   1.271
   59    HA   LYS   8           HA       LYS   8   4.652   4.563   3.706
   60   1HB   LYS   8          HB2       LYS   8   5.319   6.162   1.486
   61   2HB   LYS   8          HB1       LYS   8   4.001   7.005   2.301
   62   1HG   LYS   8          HG2       LYS   8   5.337   6.533   4.479
   63   2HG   LYS   8          HG1       LYS   8   6.698   6.227   3.398
   64   1HD   LYS   8          HD2       LYS   8   7.002   8.489   3.657
   65   2HD   LYS   8          HD1       LYS   8   5.830   8.548   2.340
   66   1HE   LYS   8          HE2       LYS   8   4.292   8.321   4.700
   67   2HE   LYS   8          HE1       LYS   8   5.540   9.536   5.043
   68   1HZ   LYS   8          HZ1       LYS   8   3.538  10.427   3.874
   69   2HZ   LYS   8          HZ2       LYS   8   3.957   9.472   2.531
   70   3HZ   LYS   8          HZ3       LYS   8   5.001  10.704   3.062
   71    H    GLU   9           HN       GLU   9   2.238   4.482   1.190
   72    HA   GLU   9           HA       GLU   9   0.129   5.772   2.764
   73   1HB   GLU   9          HB2       GLU   9   0.576   4.605   0.099
   74   2HB   GLU   9          HB1       GLU   9  -1.041   4.294   0.732
   75   1HG   GLU   9          HG2       GLU   9  -0.389   7.007   1.327
   76   2HG   GLU   9          HG1       GLU   9  -0.015   6.725  -0.374
   77    H    ALA  10           HN       ALA  10  -1.315   4.811   4.047
   78    HA   ALA  10           HA       ALA  10  -0.833   2.260   5.207
   79   1HB   ALA  10          HB1       ALA  10  -1.948   4.128   6.289
   80   2HB   ALA  10          HB2       ALA  10  -3.064   2.764   6.228
   81   3HB   ALA  10          HB3       ALA  10  -3.234   4.098   5.085
   82    H    CYS  11           HN       CYS  11  -1.102   0.344   4.113
   83    HA   CYS  11           HA       CYS  11  -3.427   0.094   2.235
   84   1HB   CYS  11          HB2       CYS  11  -2.007  -1.809   1.306
   85   2HB   CYS  11          HB1       CYS  11  -1.313  -0.200   1.113
   86    H    GLY  12           HN       GLY  12  -3.891  -2.509   2.097
   87   1HA   GLY  12          HA2       GLY  12  -3.629  -4.276   4.187
   88   2HA   GLY  12          HA1       GLY  12  -4.899  -3.190   4.753
   89    HA   PRO  13           HA       PRO  13  -6.729  -6.498   2.036
   90   1HB   PRO  13          HB2       PRO  13  -8.417  -7.543   3.920
   91   2HB   PRO  13          HB1       PRO  13  -6.752  -8.115   3.692
   92   1HG   PRO  13          HG2       PRO  13  -7.856  -6.279   5.754
   93   2HG   PRO  13          HG1       PRO  13  -6.613  -7.530   5.904
   94   1HD   PRO  13          HD2       PRO  13  -6.067  -4.856   5.725
   95   2HD   PRO  13          HD1       PRO  13  -4.941  -6.133   5.217
   96    H    TRP  14           HN       TRP  14  -7.692  -3.777   3.823
   97    HA   TRP  14           HA       TRP  14 -10.178  -3.544   2.204
   98   1HB   TRP  14          HB2       TRP  14  -9.990  -4.195   5.019
   99   2HB   TRP  14          HB1       TRP  14 -10.823  -2.655   4.807
  100    HD1  TRP  14           HD1      TRP  14 -11.798  -5.967   5.267
  101    HE1  TRP  14           HE1      TRP  14 -13.937  -6.610   3.978
  102    HE3  TRP  14           HE3      TRP  14 -11.969  -2.149   1.881
  103    HZ2  TRP  14           HZ2      TRP  14 -15.509  -5.636   1.797
  104    HZ3  TRP  14           HZ3      TRP  14 -13.796  -2.030   0.212
  105    HH2  TRP  14           HH2      TRP  14 -15.566  -3.767   0.166
  106    H    GLU  15           HN       GLU  15  -7.355  -2.189   2.839
  107    HA   GLU  15           HA       GLU  15  -8.373   0.573   3.321
  108   1HB   GLU  15          HB2       GLU  15  -6.410  -0.727   4.546
  109   2HB   GLU  15          HB1       GLU  15  -5.478  -0.177   3.153
  110   1HG   GLU  15          HG2       GLU  15  -5.222   1.556   4.744
  111   2HG   GLU  15          HG1       GLU  15  -6.466   2.153   3.644
  112    H    TRP  16           HN       TRP  16  -5.661  -0.719   1.395
  113    HA   TRP  16           HA       TRP  16  -6.779   0.409  -1.092
  114   1HB   TRP  16          HB2       TRP  16  -4.359   1.522   0.355
  115   2HB   TRP  16          HB1       TRP  16  -4.701   1.861  -1.341
  116    HD1  TRP  16           HD1      TRP  16  -5.410   3.095   2.036
  117    HE1  TRP  16           HE1      TRP  16  -7.320   4.827   2.004
  118    HE3  TRP  16           HE3      TRP  16  -7.207   2.338  -2.684
  119    HZ2  TRP  16           HZ2      TRP  16  -9.340   5.769   0.210
  120    HZ3  TRP  16           HZ3      TRP  16  -9.120   3.666  -3.529
  121    HH2  TRP  16           HH2      TRP  16 -10.189   5.379  -2.090
  122    HA   PRO  17           HA       PRO  17  -4.264  -2.757  -2.807
  123   1HB   PRO  17          HB2       PRO  17  -3.752  -1.731  -5.291
  124   2HB   PRO  17          HB1       PRO  17  -5.342  -2.362  -4.820
  125   1HG   PRO  17          HG2       PRO  17  -4.398   0.454  -4.993
  126   2HG   PRO  17          HG1       PRO  17  -5.972  -0.237  -5.415
  127   1HD   PRO  17          HD2       PRO  17  -5.489   1.136  -3.103
  128   2HD   PRO  17          HD1       PRO  17  -6.748  -0.108  -3.267
  129    H    CYS  18           HN       CYS  18  -2.135  -2.451  -4.631
  130    HA   CYS  18           HA       CYS  18  -0.221  -0.469  -3.627
  131   1HB   CYS  18          HB2       CYS  18  -0.549  -2.550  -2.005
  132   2HB   CYS  18          HB1       CYS  18   0.524  -3.335  -3.163
  133    H    CYS  19           HN       CYS  19   1.235  -0.076  -5.272
  134    HA   CYS  19           HA       CYS  19   1.070  -1.206  -7.835
  135   1HB   CYS  19          HB2       CYS  19   2.948   0.430  -6.257
  136   2HB   CYS  19          HB1       CYS  19   3.702  -0.424  -7.603
  137    H    SER  20           HN       SER  20   3.361  -2.247  -8.749
  138    HA   SER  20           HA       SER  20   3.469  -4.911  -7.484
  139   1HB   SER  20          HB2       SER  20   4.441  -5.549  -9.541
  140   2HB   SER  20          HB1       SER  20   3.344  -4.249 -10.000
  141    HG   SER  20           HG       SER  20   6.125  -4.319  -9.897
  142    H    GLY  21           HN       GLY  21   5.438  -5.847  -6.690
  143   1HA   GLY  21          HA2       GLY  21   7.714  -5.830  -5.975
  144   2HA   GLY  21          HA1       GLY  21   7.845  -4.156  -6.519
  145    H    LEU  22           HN       LEU  22   5.048  -4.702  -4.673
  146    HA   LEU  22           HA       LEU  22   6.423  -3.778  -2.173
  147   1HB   LEU  22          HB2       LEU  22   4.108  -2.649  -3.729
  148   2HB   LEU  22          HB1       LEU  22   4.201  -2.384  -1.988
  149    HG   LEU  22           HG       LEU  22   6.735  -1.910  -3.414
  150   1HD1  LEU  22          HD11      LEU  22   5.875  -0.652  -5.080
  151   2HD1  LEU  22          HD12      LEU  22   5.367   0.491  -3.837
  152   3HD1  LEU  22          HD13      LEU  22   4.252  -0.753  -4.402
  153   1HD2  LEU  22          HD21      LEU  22   5.302  -1.072  -1.051
  154   2HD2  LEU  22          HD22      LEU  22   5.812   0.344  -1.968
  155   3HD2  LEU  22          HD23      LEU  22   7.006  -0.843  -1.445
  156    H    LYS  23           HN       LYS  23   4.961  -4.105  -0.226
  157    HA   LYS  23           HA       LYS  23   2.762  -6.038  -0.520
  158   1HB   LYS  23          HB2       LYS  23   4.708  -7.476  -0.719
  159   2HB   LYS  23          HB1       LYS  23   5.449  -6.734   0.700
  160   1HG   LYS  23          HG2       LYS  23   4.321  -8.102   2.087
  161   2HG   LYS  23          HG1       LYS  23   2.786  -7.683   1.327
  162   1HD   LYS  23          HD2       LYS  23   4.278  -9.336  -0.480
  163   2HD   LYS  23          HD1       LYS  23   4.233 -10.123   1.099
  164   1HE   LYS  23          HE2       LYS  23   1.767  -9.006  -0.280
  165   2HE   LYS  23          HE1       LYS  23   2.258 -10.709  -0.359
  166   1HZ   LYS  23          HZ1       LYS  23   2.502 -10.212   2.254
  167   2HZ   LYS  23          HZ2       LYS  23   1.100 -10.862   1.550
  168   3HZ   LYS  23          HZ3       LYS  23   1.195  -9.198   1.880
  169    H    CYS  24           HN       CYS  24   1.313  -5.231   0.937
  170    HA   CYS  24           HA       CYS  24   1.836  -3.410   3.029
  171   1HB   CYS  24          HB2       CYS  24  -0.338  -4.465   1.846
  172   2HB   CYS  24          HB1       CYS  24  -0.343  -5.433   3.320
  173    H    ASP  25           HN       ASP  25   3.199  -3.802   4.754
  174    HA   ASP  25           HA       ASP  25   3.728  -6.516   5.712
  175   1HB   ASP  25          HB2       ASP  25   5.302  -5.389   7.133
  176   2HB   ASP  25          HB1       ASP  25   5.302  -4.502   5.607
  177    H    GLY  26           HN       GLY  26   1.250  -4.272   6.279
  178   1HA   GLY  26          HA2       GLY  26  -0.448  -5.526   7.874
  179   2HA   GLY  26          HA1       GLY  26   0.803  -5.187   9.070
  180    H    SER  27           HN       SER  27   1.257  -2.614   7.291
  181    HA   SER  27           HA       SER  27  -1.136  -1.066   8.120
  182   1HB   SER  27          HB2       SER  27   1.125  -1.336   9.727
  183   2HB   SER  27          HB1       SER  27   1.349   0.224   8.940
  184    HG   SER  27           HG       SER  27  -1.196  -0.369   9.898
  185    H    GLU  28           HN       GLU  28   2.209  -0.614   6.920
  186    HA   GLU  28           HA       GLU  28   1.088   1.238   4.837
  187   1HB   GLU  28          HB2       GLU  28   3.502   1.244   6.605
  188   2HB   GLU  28          HB1       GLU  28   3.642   1.993   5.013
  189   1HG   GLU  28          HG2       GLU  28   2.475   3.795   5.691
  190   2HG   GLU  28          HG1       GLU  28   1.156   2.776   6.268
  191    H    CYS  29           HN       CYS  29   1.579   0.764   2.708
  192    HA   CYS  29           HA       CYS  29   2.466  -1.761   1.848
  193   1HB   CYS  29          HB2       CYS  29   2.048   0.943   0.742
  194   2HB   CYS  29          HB1       CYS  29   3.172  -0.047  -0.188
  195    H    HIS  30           HN       HIS  30   4.456  -2.661   2.301
  196    HA   HIS  30           HA       HIS  30   6.813  -0.912   2.646
  197   1HB   HIS  30          HB2       HIS  30   5.990  -3.701   3.264
  198   2HB   HIS  30          HB1       HIS  30   7.712  -3.439   2.991
  199    HD1  HIS  30           HD1      HIS  30   9.024  -2.303   4.828
  200    HD2  HIS  30           HD2      HIS  30   4.909  -2.038   5.430
  201    HE1  HIS  30           HE1      HIS  30   8.698  -1.272   7.118
  202    HA   PRO  31           HA       PRO  31   8.599  -1.808  -1.275
  203   1HB   PRO  31          HB2       PRO  31  11.244  -2.124  -0.670
  204   2HB   PRO  31          HB1       PRO  31  10.424  -0.552  -0.611
  205   1HG   PRO  31          HG2       PRO  31  11.192  -2.368   1.603
  206   2HG   PRO  31          HG1       PRO  31  11.143  -0.601   1.553
  207   1HD   PRO  31          HD2       PRO  31   9.229  -2.205   2.738
  208   2HD   PRO  31          HD1       PRO  31   8.971  -0.527   2.213
  209    H    GLN  32           HN       GLN  32   8.103  -4.211   0.865
  210    HA   GLN  32           HA       GLN  32   8.678  -6.335  -1.020
  211   1HB   GLN  32          HB2       GLN  32  10.425  -7.398   0.510
  212   2HB   GLN  32          HB1       GLN  32  10.955  -5.948  -0.341
  213   1HG   GLN  32          HG2       GLN  32  11.175  -4.764   1.578
  214   2HG   GLN  32          HG1       GLN  32   9.657  -5.380   2.231
  215   1HE2  GLN  32          HE21      GLN  32   9.737  -7.270   3.589
  216   2HE2  GLN  32          HE22      GLN  32  11.200  -7.963   4.100
  Start of MODEL   13
    1   1H    TRP   1           HT1      TRP   1  -0.985   3.217 -16.517
    2   2H    TRP   1           HT2      TRP   1   0.117   4.380 -17.083
    3   3H    TRP   1           HT3      TRP   1  -1.502   4.809 -16.796
    4    HA   TRP   1           HA       TRP   1   0.702   4.529 -14.916
    5   1HB   TRP   1          HB2       TRP   1  -1.930   6.038 -14.922
    6   2HB   TRP   1          HB1       TRP   1  -0.506   6.405 -13.947
    7    HD1  TRP   1           HD1      TRP   1   1.756   7.094 -15.382
    8    HE1  TRP   1           HE1      TRP   1   1.934   8.475 -17.551
    9    HE3  TRP   1           HE3      TRP   1  -3.048   6.704 -17.074
   10    HZ2  TRP   1           HZ2      TRP   1   0.259   9.306 -19.717
   11    HZ3  TRP   1           HZ3      TRP   1  -3.728   7.799 -19.191
   12    HH2  TRP   1           HH2      TRP   1  -2.082   9.098 -20.513
   13    H    LEU   2           HN       LEU   2   0.410   3.733 -12.783
   14    HA   LEU   2           HA       LEU   2  -2.008   1.998 -12.403
   15   1HB   LEU   2          HB2       LEU   2   0.807   1.858 -11.271
   16   2HB   LEU   2          HB1       LEU   2  -0.478   0.695 -10.939
   17    HG   LEU   2           HG       LEU   2   0.054   1.248 -13.805
   18   1HD1  LEU   2          HD11      LEU   2   2.345   1.181 -13.037
   19   2HD1  LEU   2          HD12      LEU   2   1.980  -0.385 -13.763
   20   3HD1  LEU   2          HD13      LEU   2   2.010  -0.212 -12.008
   21   1HD2  LEU   2          HD21      LEU   2  -1.589  -0.435 -12.829
   22   2HD2  LEU   2          HD22      LEU   2  -0.190  -1.360 -12.284
   23   3HD2  LEU   2          HD23      LEU   2  -0.453  -1.093 -14.007
   24    H    GLY   3           HN       GLY   3  -3.368   2.595 -10.755
   25   1HA   GLY   3          HA2       GLY   3  -2.433   4.685  -8.854
   26   2HA   GLY   3          HA1       GLY   3  -4.120   4.266  -9.162
   27    H    CYS   4           HN       CYS   4  -1.444   3.708  -7.115
   28    HA   CYS   4           HA       CYS   4  -3.055   1.879  -5.458
   29   1HB   CYS   4          HB2       CYS   4  -1.106   0.195  -5.542
   30   2HB   CYS   4          HB1       CYS   4  -2.141   0.281  -6.968
   31    H    ALA   5           HN       ALA   5  -1.682   1.224  -3.463
   32    HA   ALA   5           HA       ALA   5  -0.637   3.582  -2.192
   33   1HB   ALA   5          HB1       ALA   5  -0.902   0.656  -1.629
   34   2HB   ALA   5          HB2       ALA   5  -1.550   2.029  -0.732
   35   3HB   ALA   5          HB3       ALA   5   0.154   1.603  -0.583
   36    H    ARG   6           HN       ARG   6   1.482   4.297  -2.004
   37    HA   ARG   6           HA       ARG   6   3.542   2.941  -3.640
   38   1HB   ARG   6          HB2       ARG   6   3.544   5.513  -2.023
   39   2HB   ARG   6          HB1       ARG   6   4.778   5.034  -3.188
   40   1HG   ARG   6          HG2       ARG   6   3.553   5.883  -4.870
   41   2HG   ARG   6          HG1       ARG   6   2.208   4.826  -4.443
   42   1HD   ARG   6          HD2       ARG   6   2.404   6.994  -2.528
   43   2HD   ARG   6          HD1       ARG   6   2.275   7.632  -4.180
   44    HE   ARG   6           HE       ARG   6   0.425   5.581  -4.144
   45   1HH1  ARG   6          HH21      ARG   6  -0.576   8.317  -4.423
   46   2HH1  ARG   6          HH22      ARG   6  -1.504   8.555  -2.980
   47   1HH2  ARG   6          HH11      ARG   6  -0.068   5.881  -1.300
   48   2HH2  ARG   6          HH12      ARG   6  -1.216   7.176  -1.211
   49    H    VAL   7           HN       VAL   7   5.803   3.795  -2.093
   50    HA   VAL   7           HA       VAL   7   5.818   1.665  -0.039
   51    HB   VAL   7           HB       VAL   7   7.600   2.118  -1.821
   52   1HG1  VAL   7          HG11      VAL   7   8.965   4.063  -0.129
   53   2HG1  VAL   7          HG12      VAL   7   7.446   4.696  -0.763
   54   3HG1  VAL   7          HG13      VAL   7   8.681   4.099  -1.870
   55   1HG2  VAL   7          HG21      VAL   7   9.482   1.957   0.024
   56   2HG2  VAL   7          HG22      VAL   7   8.317   0.645  -0.160
   57   3HG2  VAL   7          HG23      VAL   7   8.109   1.835   1.125
   58    H    LYS   8           HN       LYS   8   4.124   3.588   0.870
   59    HA   LYS   8           HA       LYS   8   5.033   4.334   3.375
   60   1HB   LYS   8          HB2       LYS   8   5.390   6.846   2.887
   61   2HB   LYS   8          HB1       LYS   8   6.687   5.760   2.401
   62   1HG   LYS   8          HG2       LYS   8   5.547   5.665   0.104
   63   2HG   LYS   8          HG1       LYS   8   4.563   7.018   0.653
   64   1HD   LYS   8          HD2       LYS   8   7.083   7.862   1.335
   65   2HD   LYS   8          HD1       LYS   8   7.396   6.966  -0.153
   66   1HE   LYS   8          HE2       LYS   8   5.190   8.337  -0.922
   67   2HE   LYS   8          HE1       LYS   8   5.877   9.491   0.238
   68   1HZ   LYS   8          HZ1       LYS   8   7.172  10.015  -1.527
   69   2HZ   LYS   8          HZ2       LYS   8   6.990   8.496  -2.266
   70   3HZ   LYS   8          HZ3       LYS   8   8.083   8.693  -0.979
   71    H    GLU   9           HN       GLU   9   2.617   3.431   2.569
   72    HA   GLU   9           HA       GLU   9   0.798   5.640   3.305
   73   1HB   GLU   9          HB2       GLU   9   1.224   4.629   0.567
   74   2HB   GLU   9          HB1       GLU   9  -0.468   4.672   1.062
   75   1HG   GLU   9          HG2       GLU   9   1.086   7.068   1.807
   76   2HG   GLU   9          HG1       GLU   9   0.891   6.829   0.070
   77    H    ALA  10           HN       ALA  10  -0.940   4.906   4.330
   78    HA   ALA  10           HA       ALA  10  -1.198   2.429   5.507
   79   1HB   ALA  10          HB1       ALA  10  -3.500   3.147   5.859
   80   2HB   ALA  10          HB2       ALA  10  -3.403   4.218   4.460
   81   3HB   ALA  10          HB3       ALA  10  -2.445   4.558   5.900
   82    H    CYS  11           HN       CYS  11  -1.531   0.397   4.680
   83    HA   CYS  11           HA       CYS  11  -3.000   0.164   2.068
   84   1HB   CYS  11          HB2       CYS  11  -1.428  -1.801   1.704
   85   2HB   CYS  11          HB1       CYS  11  -0.644  -0.222   1.726
   86    H    GLY  12           HN       GLY  12  -3.703  -2.287   1.814
   87   1HA   GLY  12          HA2       GLY  12  -4.126  -4.143   3.773
   88   2HA   GLY  12          HA1       GLY  12  -5.346  -2.926   4.157
   89    HA   PRO  13           HA       PRO  13  -6.628  -5.763   0.572
   90   1HB   PRO  13          HB2       PRO  13  -8.120  -7.613   1.926
   91   2HB   PRO  13          HB1       PRO  13  -6.391  -7.827   1.585
   92   1HG   PRO  13          HG2       PRO  13  -7.733  -6.982   4.099
   93   2HG   PRO  13          HG1       PRO  13  -6.313  -8.013   3.867
   94   1HD   PRO  13          HD2       PRO  13  -6.185  -5.385   4.622
   95   2HD   PRO  13          HD1       PRO  13  -4.882  -6.237   3.766
   96    H    TRP  14           HN       TRP  14  -7.972  -3.960   3.110
   97    HA   TRP  14           HA       TRP  14 -10.603  -3.822   1.675
   98   1HB   TRP  14          HB2       TRP  14 -11.618  -3.581   3.936
   99   2HB   TRP  14          HB1       TRP  14 -10.765  -5.114   3.761
  100    HD1  TRP  14           HD1      TRP  14  -8.719  -5.555   5.286
  101    HE1  TRP  14           HE1      TRP  14  -7.602  -4.248   7.207
  102    HE3  TRP  14           HE3      TRP  14 -11.076  -1.055   4.779
  103    HZ2  TRP  14           HZ2      TRP  14  -7.697  -1.638   8.374
  104    HZ3  TRP  14           HZ3      TRP  14 -10.544   0.823   6.306
  105    HH2  TRP  14           HH2      TRP  14  -8.858   0.538   8.101
  106    H    GLU  15           HN       GLU  15  -7.864  -2.163   2.319
  107    HA   GLU  15           HA       GLU  15  -9.300   0.452   2.629
  108   1HB   GLU  15          HB2       GLU  15  -7.822  -0.378   4.522
  109   2HB   GLU  15          HB1       GLU  15  -6.457  -0.237   3.413
  110   1HG   GLU  15          HG2       GLU  15  -6.575   2.083   3.342
  111   2HG   GLU  15          HG1       GLU  15  -8.290   2.110   3.759
  112    H    TRP  16           HN       TRP  16  -6.110  -0.718   1.534
  113    HA   TRP  16           HA       TRP  16  -6.540   0.519  -1.125
  114   1HB   TRP  16          HB2       TRP  16  -4.915   1.603   1.094
  115   2HB   TRP  16          HB1       TRP  16  -4.082   1.539  -0.459
  116    HD1  TRP  16           HD1      TRP  16  -6.363   2.179  -2.441
  117    HE1  TRP  16           HE1      TRP  16  -7.476   4.504  -2.485
  118    HE3  TRP  16           HE3      TRP  16  -5.178   3.809   2.249
  119    HZ2  TRP  16           HZ2      TRP  16  -7.818   6.758  -0.757
  120    HZ3  TRP  16           HZ3      TRP  16  -5.909   6.047   3.025
  121    HH2  TRP  16           HH2      TRP  16  -7.225   7.522   1.529
  122    HA   PRO  17           HA       PRO  17  -4.149  -3.121  -2.017
  123   1HB   PRO  17          HB2       PRO  17  -3.832  -2.642  -4.699
  124   2HB   PRO  17          HB1       PRO  17  -5.343  -3.257  -3.998
  125   1HG   PRO  17          HG2       PRO  17  -4.622  -0.474  -4.793
  126   2HG   PRO  17          HG1       PRO  17  -6.142  -1.355  -5.026
  127   1HD   PRO  17          HD2       PRO  17  -5.811   0.477  -3.063
  128   2HD   PRO  17          HD1       PRO  17  -6.865  -0.943  -2.879
  129    H    CYS  18           HN       CYS  18  -1.917  -3.565  -2.876
  130    HA   CYS  18           HA       CYS  18  -0.147  -1.195  -2.455
  131   1HB   CYS  18          HB2       CYS  18  -0.157  -3.554  -1.213
  132   2HB   CYS  18          HB1       CYS  18   0.820  -4.025  -2.604
  133    H    CYS  19           HN       CYS  19   1.221  -0.510  -4.091
  134    HA   CYS  19           HA       CYS  19   0.731  -1.086  -6.808
  135   1HB   CYS  19          HB2       CYS  19   3.160  -0.061  -5.314
  136   2HB   CYS  19          HB1       CYS  19   3.033  -0.027  -7.073
  137    H    SER  20           HN       SER  20   2.966  -1.791  -8.133
  138    HA   SER  20           HA       SER  20   3.227  -4.669  -7.542
  139   1HB   SER  20          HB2       SER  20   2.952  -4.283  -9.814
  140   2HB   SER  20          HB1       SER  20   3.822  -2.752  -9.762
  141    HG   SER  20           HG       SER  20   4.757  -5.352 -10.047
  142    H    GLY  21           HN       GLY  21   4.927  -5.466  -6.367
  143   1HA   GLY  21          HA2       GLY  21   7.330  -5.684  -5.997
  144   2HA   GLY  21          HA1       GLY  21   7.510  -3.980  -6.421
  145    H    LEU  22           HN       LEU  22   4.857  -3.822  -4.638
  146    HA   LEU  22           HA       LEU  22   6.381  -3.512  -2.071
  147   1HB   LEU  22          HB2       LEU  22   4.068  -2.017  -3.331
  148   2HB   LEU  22          HB1       LEU  22   4.543  -1.783  -1.649
  149    HG   LEU  22           HG       LEU  22   6.803  -1.669  -3.521
  150   1HD1  LEU  22          HD11      LEU  22   4.669   0.483  -3.640
  151   2HD1  LEU  22          HD12      LEU  22   5.007  -0.670  -4.931
  152   3HD1  LEU  22          HD13      LEU  22   6.228   0.515  -4.464
  153   1HD2  LEU  22          HD21      LEU  22   5.739   0.321  -1.492
  154   2HD2  LEU  22          HD22      LEU  22   7.372   0.260  -2.155
  155   3HD2  LEU  22          HD23      LEU  22   6.805  -1.025  -1.088
  156    H    LYS  23           HN       LYS  23   5.438  -4.381  -0.192
  157    HA   LYS  23           HA       LYS  23   2.849  -5.853  -0.553
  158   1HB   LYS  23          HB2       LYS  23   3.819  -7.714   0.609
  159   2HB   LYS  23          HB1       LYS  23   5.017  -7.214  -0.584
  160   1HG   LYS  23          HG2       LYS  23   6.113  -5.823   1.206
  161   2HG   LYS  23          HG1       LYS  23   5.000  -6.542   2.370
  162   1HD   LYS  23          HD2       LYS  23   6.659  -8.296   0.572
  163   2HD   LYS  23          HD1       LYS  23   7.343  -7.640   2.061
  164   1HE   LYS  23          HE2       LYS  23   4.940  -8.571   2.980
  165   2HE   LYS  23          HE1       LYS  23   5.305  -9.757   1.710
  166   1HZ   LYS  23          HZ1       LYS  23   7.475  -8.875   3.474
  167   2HZ   LYS  23          HZ2       LYS  23   7.256 -10.370   2.697
  168   3HZ   LYS  23          HZ3       LYS  23   6.354  -9.990   4.087
  169    H    CYS  24           HN       CYS  24   1.352  -5.100   0.890
  170    HA   CYS  24           HA       CYS  24   1.763  -3.165   2.884
  171   1HB   CYS  24          HB2       CYS  24  -0.387  -4.084   1.853
  172   2HB   CYS  24          HB1       CYS  24  -0.257  -5.423   2.992
  173    H    ASP  25           HN       ASP  25   3.463  -3.526   4.352
  174    HA   ASP  25           HA       ASP  25   3.773  -6.143   5.662
  175   1HB   ASP  25          HB2       ASP  25   5.536  -4.360   4.871
  176   2HB   ASP  25          HB1       ASP  25   5.192  -3.606   6.429
  177    H    GLY  26           HN       GLY  26   1.268  -5.342   6.353
  178   1HA   GLY  26          HA2       GLY  26   0.368  -5.557   8.657
  179   2HA   GLY  26          HA1       GLY  26   1.618  -4.426   9.179
  180    H    SER  27           HN       SER  27   1.498  -2.240   7.883
  181    HA   SER  27           HA       SER  27  -1.307  -1.485   7.237
  182   1HB   SER  27          HB2       SER  27  -0.789   0.513   8.904
  183   2HB   SER  27          HB1       SER  27  -1.396  -1.024   9.513
  184    HG   SER  27           HG       SER  27   0.488  -0.234  10.622
  185    H    GLU  28           HN       GLU  28   1.809  -1.402   6.277
  186    HA   GLU  28           HA       GLU  28   1.403   1.148   4.792
  187   1HB   GLU  28          HB2       GLU  28   3.791   0.433   6.523
  188   2HB   GLU  28          HB1       GLU  28   3.715   1.833   5.453
  189   1HG   GLU  28          HG2       GLU  28   1.552   2.449   6.721
  190   2HG   GLU  28          HG1       GLU  28   2.088   1.284   7.934
  191    H    CYS  29           HN       CYS  29   1.806   0.699   2.672
  192    HA   CYS  29           HA       CYS  29   2.810  -1.738   1.656
  193   1HB   CYS  29          HB2       CYS  29   2.335   1.039   0.706
  194   2HB   CYS  29          HB1       CYS  29   3.389   0.050  -0.306
  195    H    HIS  30           HN       HIS  30   4.819  -2.518   2.277
  196    HA   HIS  30           HA       HIS  30   7.113  -0.631   2.467
  197   1HB   HIS  30          HB2       HIS  30   6.285  -3.236   3.575
  198   2HB   HIS  30          HB1       HIS  30   8.000  -3.131   3.180
  199    HD1  HIS  30           HD1      HIS  30   9.465  -1.661   4.648
  200    HD2  HIS  30           HD2      HIS  30   5.410  -1.253   5.520
  201    HE1  HIS  30           HE1      HIS  30   9.325  -0.294   6.775
  202    HA   PRO  31           HA       PRO  31   8.945  -2.011  -1.278
  203   1HB   PRO  31          HB2       PRO  31  11.604  -1.979  -0.638
  204   2HB   PRO  31          HB1       PRO  31  10.648  -0.501  -0.867
  205   1HG   PRO  31          HG2       PRO  31  11.508  -1.828   1.650
  206   2HG   PRO  31          HG1       PRO  31  11.373  -0.105   1.270
  207   1HD   PRO  31          HD2       PRO  31   9.528  -1.501   2.739
  208   2HD   PRO  31          HD1       PRO  31   9.160  -0.027   1.817
  209    H    GLN  32           HN       GLN  32   8.131  -4.202  -1.256
  210    HA   GLN  32           HA       GLN  32   8.207  -6.556  -0.692
  211   1HB   GLN  32          HB2       GLN  32  10.016  -7.427  -2.250
  212   2HB   GLN  32          HB1       GLN  32   8.900  -6.264  -2.963
  213   1HG   GLN  32          HG2       GLN  32  11.035  -5.531  -3.667
  214   2HG   GLN  32          HG1       GLN  32  10.644  -4.474  -2.316
  215   1HE2  GLN  32          HE21      GLN  32  12.771  -7.052  -3.400
  216   2HE2  GLN  32          HE22      GLN  32  13.770  -7.065  -2.027
  Start of MODEL   14
    1   1H    TRP   1           HT1      TRP   1   5.054   3.257  -6.302
    2   2H    TRP   1           HT2      TRP   1   6.382   2.469  -5.595
    3   3H    TRP   1           HT3      TRP   1   5.834   2.003  -7.135
    4    HA   TRP   1           HA       TRP   1   6.847   4.739  -6.594
    5   1HB   TRP   1          HB2       TRP   1   8.369   2.701  -6.011
    6   2HB   TRP   1          HB1       TRP   1   8.445   2.461  -7.756
    7    HD1  TRP   1           HD1      TRP   1  10.046   3.953  -9.091
    8    HE1  TRP   1           HE1      TRP   1  11.575   5.948  -8.519
    9    HE3  TRP   1           HE3      TRP   1   8.508   4.903  -4.314
   10    HZ2  TRP   1           HZ2      TRP   1  12.080   7.712  -6.326
   11    HZ3  TRP   1           HZ3      TRP   1   9.530   6.745  -3.008
   12    HH2  TRP   1           HH2      TRP   1  11.312   8.149  -4.007
   13    H    LEU   2           HN       LEU   2   4.878   4.973  -8.140
   14    HA   LEU   2           HA       LEU   2   5.751   5.481 -10.791
   15   1HB   LEU   2          HB2       LEU   2   5.442   2.743 -10.228
   16   2HB   LEU   2          HB1       LEU   2   4.013   3.179 -11.164
   17    HG   LEU   2           HG       LEU   2   6.660   4.202 -12.100
   18   1HD1  LEU   2          HD11      LEU   2   5.706   1.426 -12.817
   19   2HD1  LEU   2          HD12      LEU   2   6.856   1.702 -11.508
   20   3HD1  LEU   2          HD13      LEU   2   7.270   2.166 -13.159
   21   1HD2  LEU   2          HD21      LEU   2   4.689   2.960 -13.920
   22   2HD2  LEU   2          HD22      LEU   2   5.520   4.510 -14.051
   23   3HD2  LEU   2          HD23      LEU   2   4.092   4.359 -13.027
   24    H    GLY   3           HN       GLY   3   3.111   4.664  -8.622
   25   1HA   GLY   3          HA2       GLY   3   1.461   6.787  -8.928
   26   2HA   GLY   3          HA1       GLY   3   1.082   5.868 -10.387
   27    H    CYS   4           HN       CYS   4   1.819   4.788  -7.068
   28    HA   CYS   4           HA       CYS   4  -0.940   3.865  -6.644
   29   1HB   CYS   4          HB2       CYS   4  -0.036   1.465  -6.408
   30   2HB   CYS   4          HB1       CYS   4  -0.183   2.090  -8.051
   31    H    ALA   5           HN       ALA   5  -0.493   2.088  -4.579
   32    HA   ALA   5           HA       ALA   5   0.224   3.762  -2.383
   33   1HB   ALA   5          HB1       ALA   5   0.373   0.755  -2.379
   34   2HB   ALA   5          HB2       ALA   5  -1.176   1.575  -2.575
   35   3HB   ALA   5          HB3       ALA   5  -0.224   1.824  -1.110
   36    H    ARG   6           HN       ARG   6   2.325   4.619  -2.455
   37    HA   ARG   6           HA       ARG   6   4.634   2.977  -3.179
   38   1HB   ARG   6          HB2       ARG   6   4.360   5.733  -1.933
   39   2HB   ARG   6          HB1       ARG   6   5.837   5.073  -2.638
   40   1HG   ARG   6          HG2       ARG   6   4.926   5.061  -4.825
   41   2HG   ARG   6          HG1       ARG   6   3.277   5.250  -4.227
   42   1HD   ARG   6          HD2       ARG   6   5.250   7.395  -3.537
   43   2HD   ARG   6          HD1       ARG   6   4.611   7.346  -5.193
   44    HE   ARG   6           HE       ARG   6   2.813   7.351  -2.796
   45   1HH1  ARG   6          HH11      ARG   6   3.911   9.658  -4.782
   46   2HH1  ARG   6          HH12      ARG   6   2.413  10.022  -5.572
   47   1HH2  ARG   6          HH21      ARG   6   0.775   7.230  -4.327
   48   2HH2  ARG   6          HH22      ARG   6   0.636   8.645  -5.315
   49    H    VAL   7           HN       VAL   7   6.416   4.066  -1.152
   50    HA   VAL   7           HA       VAL   7   5.863   2.126   1.006
   51    HB   VAL   7           HB       VAL   7   8.215   3.976   0.487
   52   1HG1  VAL   7          HG11      VAL   7   9.295   1.915   1.762
   53   2HG1  VAL   7          HG12      VAL   7   7.657   1.728   2.388
   54   3HG1  VAL   7          HG13      VAL   7   8.540   3.230   2.660
   55   1HG2  VAL   7          HG21      VAL   7   9.035   2.469  -1.020
   56   2HG2  VAL   7          HG22      VAL   7   7.344   1.996  -1.188
   57   3HG2  VAL   7          HG23      VAL   7   8.412   1.086  -0.120
   58    H    LYS   8           HN       LYS   8   3.958   3.879   1.406
   59    HA   LYS   8           HA       LYS   8   4.385   5.012   3.928
   60   1HB   LYS   8          HB2       LYS   8   4.388   7.455   3.188
   61   2HB   LYS   8          HB1       LYS   8   5.874   6.573   2.842
   62   1HG   LYS   8          HG2       LYS   8   4.195   6.102   0.633
   63   2HG   LYS   8          HG1       LYS   8   4.027   7.820   0.994
   64   1HD   LYS   8          HD2       LYS   8   6.709   7.554   1.252
   65   2HD   LYS   8          HD1       LYS   8   6.397   6.313   0.039
   66   1HE   LYS   8          HE2       LYS   8   5.168   7.995  -1.335
   67   2HE   LYS   8          HE1       LYS   8   5.588   9.238  -0.140
   68   1HZ   LYS   8          HZ1       LYS   8   7.419   9.416  -1.444
   69   2HZ   LYS   8          HZ2       LYS   8   7.305   7.825  -2.030
   70   3HZ   LYS   8          HZ3       LYS   8   7.956   8.122  -0.488
   71    H    GLU   9           HN       GLU   9   2.359   3.601   2.320
   72    HA   GLU   9           HA       GLU   9   0.075   5.516   2.685
   73   1HB   GLU   9          HB2       GLU   9   1.021   4.611   0.300
   74   2HB   GLU   9          HB1       GLU   9  -0.129   3.330   0.684
   75   1HG   GLU   9          HG2       GLU   9  -1.070   6.113   1.127
   76   2HG   GLU   9          HG1       GLU   9  -0.857   5.618  -0.552
   77    H    ALA  10           HN       ALA  10  -1.451   4.803   3.991
   78    HA   ALA  10           HA       ALA  10  -1.251   2.380   5.478
   79   1HB   ALA  10          HB1       ALA  10  -2.704   4.801   5.376
   80   2HB   ALA  10          HB2       ALA  10  -2.707   3.609   6.676
   81   3HB   ALA  10          HB3       ALA  10  -3.900   3.505   5.379
   82    H    CYS  11           HN       CYS  11  -1.262   0.522   4.093
   83    HA   CYS  11           HA       CYS  11  -3.732   0.161   2.433
   84   1HB   CYS  11          HB2       CYS  11  -2.349  -1.404   1.132
   85   2HB   CYS  11          HB1       CYS  11  -1.529   0.150   1.270
   86    H    GLY  12           HN       GLY  12  -5.053  -0.625   4.167
   87   1HA   GLY  12          HA2       GLY  12  -4.323  -2.590   6.067
   88   2HA   GLY  12          HA1       GLY  12  -5.976  -2.303   5.521
   89    HA   PRO  13           HA       PRO  13  -4.859  -6.524   4.145
   90   1HB   PRO  13          HB2       PRO  13  -7.325  -7.584   4.687
   91   2HB   PRO  13          HB1       PRO  13  -6.042  -7.449   5.905
   92   1HG   PRO  13          HG2       PRO  13  -8.417  -5.711   5.459
   93   2HG   PRO  13          HG1       PRO  13  -7.681  -6.250   6.977
   94   1HD   PRO  13          HD2       PRO  13  -7.299  -3.765   5.933
   95   2HD   PRO  13          HD1       PRO  13  -6.100  -4.590   6.955
   96    H    TRP  14           HN       TRP  14  -7.544  -4.370   3.442
   97    HA   TRP  14           HA       TRP  14  -7.404  -5.089   0.597
   98   1HB   TRP  14          HB2       TRP  14  -9.389  -6.170   2.466
   99   2HB   TRP  14          HB1       TRP  14 -10.123  -5.381   1.069
  100    HD1  TRP  14           HD1      TRP  14  -9.657  -8.653   1.808
  101    HE1  TRP  14           HE1      TRP  14  -8.763 -10.109  -0.122
  102    HE3  TRP  14           HE3      TRP  14  -7.746  -5.018  -1.230
  103    HZ2  TRP  14           HZ2      TRP  14  -7.414  -9.776  -2.623
  104    HZ3  TRP  14           HZ3      TRP  14  -6.662  -5.614  -3.376
  105    HH2  TRP  14           HH2      TRP  14  -6.494  -7.987  -4.076
  106    H    GLU  15           HN       GLU  15  -7.030  -2.662   2.212
  107    HA   GLU  15           HA       GLU  15  -9.380  -0.959   1.823
  108   1HB   GLU  15          HB2       GLU  15  -6.957  -0.972   3.284
  109   2HB   GLU  15          HB1       GLU  15  -6.868   0.425   2.210
  110   1HG   GLU  15          HG2       GLU  15  -7.936   1.078   4.311
  111   2HG   GLU  15          HG1       GLU  15  -9.118   1.139   3.004
  112    H    TRP  16           HN       TRP  16  -6.064  -0.401   0.676
  113    HA   TRP  16           HA       TRP  16  -7.206   0.424  -1.972
  114   1HB   TRP  16          HB2       TRP  16  -4.641   1.349  -0.649
  115   2HB   TRP  16          HB1       TRP  16  -5.464   2.089  -2.021
  116    HD1  TRP  16           HD1      TRP  16  -5.047   2.583   1.519
  117    HE1  TRP  16           HE1      TRP  16  -6.969   3.972   2.532
  118    HE3  TRP  16           HE3      TRP  16  -8.444   2.297  -2.285
  119    HZ2  TRP  16           HZ2      TRP  16  -9.599   4.846   1.821
  120    HZ3  TRP  16           HZ3      TRP  16 -10.646   3.417  -2.091
  121    HH2  TRP  16           HH2      TRP  16 -11.228   4.690  -0.045
  122    HA   PRO  17           HA       PRO  17  -4.736  -2.786  -3.690
  123   1HB   PRO  17          HB2       PRO  17  -4.562  -1.846  -6.259
  124   2HB   PRO  17          HB1       PRO  17  -6.038  -2.576  -5.595
  125   1HG   PRO  17          HG2       PRO  17  -5.347   0.300  -5.956
  126   2HG   PRO  17          HG1       PRO  17  -6.888  -0.531  -6.218
  127   1HD   PRO  17          HD2       PRO  17  -6.362   0.960  -4.007
  128   2HD   PRO  17          HD1       PRO  17  -7.471  -0.430  -4.002
  129    H    CYS  18           HN       CYS  18  -2.686  -2.557  -2.730
  130    HA   CYS  18           HA       CYS  18  -0.899  -0.367  -3.072
  131   1HB   CYS  18          HB2       CYS  18  -0.942  -2.326  -1.393
  132   2HB   CYS  18          HB1       CYS  18  -0.113  -3.253  -2.642
  133    H    CYS  19           HN       CYS  19   1.256  -0.535  -4.255
  134    HA   CYS  19           HA       CYS  19   0.962  -0.808  -7.040
  135   1HB   CYS  19          HB2       CYS  19   3.438  -1.201  -5.323
  136   2HB   CYS  19          HB1       CYS  19   3.433  -0.770  -7.031
  137    H    SER  20           HN       SER  20   2.837  -2.489  -8.088
  138    HA   SER  20           HA       SER  20   1.646  -5.151  -7.612
  139   1HB   SER  20          HB2       SER  20   1.881  -5.034  -9.871
  140   2HB   SER  20          HB1       SER  20   2.984  -3.668  -9.745
  141    HG   SER  20           HG       SER  20   4.295  -5.211 -10.454
  142    H    GLY  21           HN       GLY  21   4.849  -3.614  -7.558
  143   1HA   GLY  21          HA2       GLY  21   6.017  -6.061  -6.378
  144   2HA   GLY  21          HA1       GLY  21   6.912  -4.613  -6.851
  145    H    LEU  22           HN       LEU  22   3.975  -4.393  -4.946
  146    HA   LEU  22           HA       LEU  22   5.652  -3.768  -2.529
  147   1HB   LEU  22          HB2       LEU  22   3.369  -2.236  -3.799
  148   2HB   LEU  22          HB1       LEU  22   3.967  -1.894  -2.176
  149    HG   LEU  22           HG       LEU  22   5.578  -1.778  -4.741
  150   1HD1  LEU  22          HD11      LEU  22   3.872   0.102  -3.627
  151   2HD1  LEU  22          HD12      LEU  22   5.199   0.455  -4.735
  152   3HD1  LEU  22          HD13      LEU  22   5.449   0.572  -2.992
  153   1HD2  LEU  22          HD21      LEU  22   6.340  -1.478  -1.827
  154   2HD2  LEU  22          HD22      LEU  22   7.329  -0.825  -3.133
  155   3HD2  LEU  22          HD23      LEU  22   7.047  -2.563  -3.024
  156    H    LYS  23           HN       LYS  23   4.802  -4.497  -0.594
  157    HA   LYS  23           HA       LYS  23   2.126  -5.847  -0.681
  158   1HB   LYS  23          HB2       LYS  23   4.547  -7.028  -0.417
  159   2HB   LYS  23          HB1       LYS  23   4.231  -6.642   1.275
  160   1HG   LYS  23          HG2       LYS  23   2.859  -8.413   1.401
  161   2HG   LYS  23          HG1       LYS  23   1.815  -7.664   0.191
  162   1HD   LYS  23          HD2       LYS  23   2.538  -9.900  -0.551
  163   2HD   LYS  23          HD1       LYS  23   3.196  -8.649  -1.606
  164   1HE   LYS  23          HE2       LYS  23   5.256  -9.501  -1.194
  165   2HE   LYS  23          HE1       LYS  23   5.077  -8.967   0.489
  166   1HZ   LYS  23          HZ1       LYS  23   4.535 -11.596  -0.691
  167   2HZ   LYS  23          HZ2       LYS  23   3.551 -11.079   0.595
  168   3HZ   LYS  23          HZ3       LYS  23   5.232 -11.211   0.807
  169    H    CYS  24           HN       CYS  24   1.700  -6.231   1.991
  170    HA   CYS  24           HA       CYS  24   1.961  -3.484   3.177
  171   1HB   CYS  24          HB2       CYS  24  -0.332  -5.465   3.149
  172   2HB   CYS  24          HB1       CYS  24  -0.305  -4.042   4.191
  173    H    ASP  25           HN       ASP  25   3.616  -3.876   4.663
  174    HA   ASP  25           HA       ASP  25   3.676  -6.340   6.265
  175   1HB   ASP  25          HB2       ASP  25   5.665  -5.083   5.349
  176   2HB   ASP  25          HB1       ASP  25   5.295  -3.786   6.487
  177    H    GLY  26           HN       GLY  26   1.328  -5.585   7.021
  178   1HA   GLY  26          HA2       GLY  26   0.503  -5.353   9.344
  179   2HA   GLY  26          HA1       GLY  26   1.696  -4.072   9.571
  180    H    SER  27           HN       SER  27   1.430  -2.190   7.964
  181    HA   SER  27           HA       SER  27  -1.323  -1.751   6.997
  182   1HB   SER  27          HB2       SER  27  -1.244   0.424   8.518
  183   2HB   SER  27          HB1       SER  27  -1.793  -1.114   9.179
  184    HG   SER  27           HG       SER  27  -0.112   0.090  10.382
  185    H    GLU  28           HN       GLU  28   1.842  -1.460   6.374
  186    HA   GLU  28           HA       GLU  28   1.474   1.120   4.890
  187   1HB   GLU  28          HB2       GLU  28   4.061   0.112   6.100
  188   2HB   GLU  28          HB1       GLU  28   3.710   1.734   5.497
  189   1HG   GLU  28          HG2       GLU  28   2.058   2.057   7.292
  190   2HG   GLU  28          HG1       GLU  28   2.379   0.428   7.891
  191    H    CYS  29           HN       CYS  29   1.946   0.954   2.726
  192    HA   CYS  29           HA       CYS  29   2.446  -1.568   1.484
  193   1HB   CYS  29          HB2       CYS  29   2.268   1.299   0.752
  194   2HB   CYS  29          HB1       CYS  29   3.109   0.263  -0.402
  195    H    HIS  30           HN       HIS  30   4.384  -2.530   2.299
  196    HA   HIS  30           HA       HIS  30   6.913  -1.012   2.181
  197   1HB   HIS  30          HB2       HIS  30   5.874  -3.582   3.262
  198   2HB   HIS  30          HB1       HIS  30   7.589  -3.543   2.851
  199    HD1  HIS  30           HD1      HIS  30   9.121  -2.391   4.479
  200    HD2  HIS  30           HD2      HIS  30   5.119  -1.439   5.157
  201    HE1  HIS  30           HE1      HIS  30   9.061  -1.028   6.613
  202    HA   PRO  31           HA       PRO  31   8.319  -2.660  -1.639
  203   1HB   PRO  31          HB2       PRO  31  10.926  -3.306  -1.125
  204   2HB   PRO  31          HB1       PRO  31  10.353  -1.630  -1.239
  205   1HG   PRO  31          HG2       PRO  31  10.976  -3.257   1.163
  206   2HG   PRO  31          HG1       PRO  31  11.208  -1.526   0.878
  207   1HD   PRO  31          HD2       PRO  31   9.151  -2.607   2.357
  208   2HD   PRO  31          HD1       PRO  31   9.111  -1.006   1.589
  209    H    GLN  32           HN       GLN  32   7.502  -4.624  -2.307
  210    HA   GLN  32           HA       GLN  32   7.247  -6.966  -2.519
  211   1HB   GLN  32          HB2       GLN  32  10.053  -6.495  -1.545
  212   2HB   GLN  32          HB1       GLN  32   9.465  -8.150  -1.709
  213   1HG   GLN  32          HG2       GLN  32   8.993  -7.835  -4.048
  214   2HG   GLN  32          HG1       GLN  32   9.288  -6.100  -3.930
  215   1HE2  GLN  32          HE21      GLN  32  11.537  -5.379  -3.697
  216   2HE2  GLN  32          HE22      GLN  32  12.829  -6.419  -4.059
  Start of MODEL   15
    1   1H    TRP   1           HT1      TRP   1  -9.436  11.255  -7.021
    2   2H    TRP   1           HT2      TRP   1  -7.776  11.607  -7.107
    3   3H    TRP   1           HT3      TRP   1  -8.448  11.018  -5.662
    4    HA   TRP   1           HA       TRP   1  -8.950   8.894  -6.733
    5   1HB   TRP   1          HB2       TRP   1  -8.222  10.624  -9.012
    6   2HB   TRP   1          HB1       TRP   1  -7.554   8.994  -9.101
    7    HD1  TRP   1           HD1      TRP   1  -9.698   7.171  -8.052
    8    HE1  TRP   1           HE1      TRP   1 -12.022   6.965  -9.149
    9    HE3  TRP   1           HE3      TRP   1  -9.882  11.610 -10.572
   10    HZ2  TRP   1           HZ2      TRP   1 -13.732   8.481 -10.868
   11    HZ3  TRP   1           HZ3      TRP   1 -11.869  12.202 -11.930
   12    HH2  TRP   1           HH2      TRP   1 -13.792  10.645 -12.081
   13    H    LEU   2           HN       LEU   2  -7.487   7.552  -5.761
   14    HA   LEU   2           HA       LEU   2  -4.614   8.391  -5.689
   15   1HB   LEU   2          HB2       LEU   2  -6.433   6.740  -3.932
   16   2HB   LEU   2          HB1       LEU   2  -4.680   6.654  -3.758
   17    HG   LEU   2           HG       LEU   2  -5.583   9.411  -3.937
   18   1HD1  LEU   2          HD11      LEU   2  -6.507   7.959  -1.461
   19   2HD1  LEU   2          HD12      LEU   2  -7.584   8.162  -2.843
   20   3HD1  LEU   2          HD13      LEU   2  -6.937   9.578  -2.014
   21   1HD2  LEU   2          HD21      LEU   2  -3.445   8.114  -2.941
   22   2HD2  LEU   2          HD22      LEU   2  -4.400   8.239  -1.464
   23   3HD2  LEU   2          HD23      LEU   2  -3.943   9.697  -2.345
   24    H    GLY   3           HN       GLY   3  -3.175   7.165  -6.843
   25   1HA   GLY   3          HA2       GLY   3  -4.005   4.973  -8.485
   26   2HA   GLY   3          HA1       GLY   3  -2.328   5.413  -8.156
   27    H    CYS   4           HN       CYS   4  -1.189   4.262  -6.594
   28    HA   CYS   4           HA       CYS   4  -2.703   2.123  -5.134
   29   1HB   CYS   4          HB2       CYS   4  -0.745   0.664  -5.630
   30   2HB   CYS   4          HB1       CYS   4  -1.526   1.234  -7.104
   31    H    ALA   5           HN       ALA   5  -1.260   1.234  -3.287
   32    HA   ALA   5           HA       ALA   5  -0.270   3.518  -1.722
   33   1HB   ALA   5          HB1       ALA   5   0.117   1.425  -0.129
   34   2HB   ALA   5          HB2       ALA   5  -0.902   0.616  -1.319
   35   3HB   ALA   5          HB3       ALA   5  -1.512   2.021  -0.445
   36    H    ARG   6           HN       ARG   6   1.802   4.186  -2.140
   37    HA   ARG   6           HA       ARG   6   3.841   2.377  -3.204
   38   1HB   ARG   6          HB2       ARG   6   3.292   5.171  -2.973
   39   2HB   ARG   6          HB1       ARG   6   4.871   4.878  -2.248
   40   1HG   ARG   6          HG2       ARG   6   5.782   4.062  -4.233
   41   2HG   ARG   6          HG1       ARG   6   4.208   3.601  -4.882
   42   1HD   ARG   6          HD2       ARG   6   4.734   6.511  -4.357
   43   2HD   ARG   6          HD1       ARG   6   5.418   5.763  -5.814
   44    HE   ARG   6           HE       ARG   6   2.500   5.649  -5.140
   45   1HH1  ARG   6          HH11      ARG   6   4.921   4.765  -7.324
   46   2HH1  ARG   6          HH12      ARG   6   4.046   5.238  -8.742
   47   1HH2  ARG   6          HH21      ARG   6   1.450   6.706  -6.973
   48   2HH2  ARG   6          HH22      ARG   6   2.081   6.337  -8.543
   49    H    VAL   7           HN       VAL   7   6.038   3.609  -1.646
   50    HA   VAL   7           HA       VAL   7   6.005   1.754   0.634
   51    HB   VAL   7           HB       VAL   7   8.071   3.818  -0.181
   52   1HG1  VAL   7          HG11      VAL   7   9.295   2.890   1.462
   53   2HG1  VAL   7          HG12      VAL   7   9.104   1.299   0.726
   54   3HG1  VAL   7          HG13      VAL   7   7.918   1.877   1.896
   55   1HG2  VAL   7          HG21      VAL   7   8.072   2.687  -2.162
   56   2HG2  VAL   7          HG22      VAL   7   7.182   1.320  -1.491
   57   3HG2  VAL   7          HG23      VAL   7   8.924   1.445  -1.245
   58    H    LYS   8           HN       LYS   8   4.015   3.637   1.085
   59    HA   LYS   8           HA       LYS   8   4.558   4.639   3.627
   60   1HB   LYS   8          HB2       LYS   8   4.723   7.112   2.993
   61   2HB   LYS   8          HB1       LYS   8   6.147   6.143   2.623
   62   1HG   LYS   8          HG2       LYS   8   5.934   6.560   0.420
   63   2HG   LYS   8          HG1       LYS   8   4.252   6.028   0.436
   64   1HD   LYS   8          HD2       LYS   8   4.683   8.641   1.721
   65   2HD   LYS   8          HD1       LYS   8   5.065   8.619  -0.001
   66   1HE   LYS   8          HE2       LYS   8   2.581   7.183   0.593
   67   2HE   LYS   8          HE1       LYS   8   2.512   8.894   1.059
   68   1HZ   LYS   8          HZ1       LYS   8   3.696   9.258  -1.184
   69   2HZ   LYS   8          HZ2       LYS   8   2.021   8.973  -1.187
   70   3HZ   LYS   8          HZ3       LYS   8   3.100   7.721  -1.582
   71    H    GLU   9           HN       GLU   9   2.418   3.450   2.012
   72    HA   GLU   9           HA       GLU   9   0.262   5.468   2.547
   73   1HB   GLU   9          HB2       GLU   9   0.861   5.278   0.122
   74   2HB   GLU   9          HB1       GLU   9   0.485   3.556   0.197
   75   1HG   GLU   9          HG2       GLU   9  -1.698   3.996  -0.103
   76   2HG   GLU   9          HG1       GLU   9  -1.704   5.020   1.334
   77    H    ALA  10           HN       ALA  10  -1.508   4.667   3.519
   78    HA   ALA  10           HA       ALA  10  -1.388   2.110   4.839
   79   1HB   ALA  10          HB1       ALA  10  -3.987   3.159   4.916
   80   2HB   ALA  10          HB2       ALA  10  -2.936   4.563   4.728
   81   3HB   ALA  10          HB3       ALA  10  -2.701   3.460   6.084
   82    H    CYS  11           HN       CYS  11  -1.578   0.275   3.555
   83    HA   CYS  11           HA       CYS  11  -3.374   0.222   1.224
   84   1HB   CYS  11          HB2       CYS  11  -2.378  -1.971   0.902
   85   2HB   CYS  11          HB1       CYS  11  -1.099  -0.855   1.381
   86    H    GLY  12           HN       GLY  12  -3.494  -0.660   4.589
   87   1HA   GLY  12          HA2       GLY  12  -5.152  -1.724   5.866
   88   2HA   GLY  12          HA1       GLY  12  -6.275  -1.116   4.649
   89    HA   PRO  13           HA       PRO  13  -5.783  -5.794   4.403
   90   1HB   PRO  13          HB2       PRO  13  -8.201  -6.502   5.474
   91   2HB   PRO  13          HB1       PRO  13  -6.727  -6.321   6.447
   92   1HG   PRO  13          HG2       PRO  13  -9.014  -4.454   6.111
   93   2HG   PRO  13          HG1       PRO  13  -8.048  -4.809   7.550
   94   1HD   PRO  13          HD2       PRO  13  -7.724  -2.570   6.007
   95   2HD   PRO  13          HD1       PRO  13  -6.436  -3.288   6.999
   96    H    TRP  14           HN       TRP  14  -8.204  -3.411   3.635
   97    HA   TRP  14           HA       TRP  14  -8.827  -4.881   1.124
   98   1HB   TRP  14          HB2       TRP  14 -11.183  -4.843   1.551
   99   2HB   TRP  14          HB1       TRP  14 -10.443  -5.440   3.035
  100    HD1  TRP  14           HD1      TRP  14  -9.867  -3.367   4.882
  101    HE1  TRP  14           HE1      TRP  14 -11.414  -1.422   5.561
  102    HE3  TRP  14           HE3      TRP  14 -13.053  -3.345   0.892
  103    HZ2  TRP  14           HZ2      TRP  14 -13.701  -0.037   4.545
  104    HZ3  TRP  14           HZ3      TRP  14 -14.905  -1.702   0.773
  105    HH2  TRP  14           HH2      TRP  14 -15.233  -0.050   2.593
  106    H    GLU  15           HN       GLU  15  -7.470  -2.279   2.089
  107    HA   GLU  15           HA       GLU  15  -9.204  -0.216   0.848
  108   1HB   GLU  15          HB2       GLU  15  -6.879  -0.395   2.668
  109   2HB   GLU  15          HB1       GLU  15  -6.846   0.985   1.570
  110   1HG   GLU  15          HG2       GLU  15  -9.391   0.347   3.022
  111   2HG   GLU  15          HG1       GLU  15  -8.094   1.172   3.889
  112    H    TRP  16           HN       TRP  16  -7.136   1.419  -0.214
  113    HA   TRP  16           HA       TRP  16  -6.910   0.741  -2.873
  114   1HB   TRP  16          HB2       TRP  16  -4.907   2.064  -1.021
  115   2HB   TRP  16          HB1       TRP  16  -4.768   2.101  -2.779
  116    HD1  TRP  16           HD1      TRP  16  -6.103   4.065  -0.049
  117    HE1  TRP  16           HE1      TRP  16  -7.886   5.739  -0.866
  118    HE3  TRP  16           HE3      TRP  16  -7.019   2.177  -4.705
  119    HZ2  TRP  16           HZ2      TRP  16  -9.488   6.215  -3.188
  120    HZ3  TRP  16           HZ3      TRP  16  -8.675   3.258  -6.197
  121    HH2  TRP  16           HH2      TRP  16  -9.910   5.273  -5.446
  122    HA   PRO  17           HA       PRO  17  -4.381  -2.881  -2.945
  123   1HB   PRO  17          HB2       PRO  17  -3.791  -2.872  -5.615
  124   2HB   PRO  17          HB1       PRO  17  -5.380  -3.346  -4.981
  125   1HG   PRO  17          HG2       PRO  17  -4.527  -0.790  -6.232
  126   2HG   PRO  17          HG1       PRO  17  -6.067  -1.653  -6.360
  127   1HD   PRO  17          HD2       PRO  17  -5.660   0.547  -4.771
  128   2HD   PRO  17          HD1       PRO  17  -6.913  -0.679  -4.480
  129    H    CYS  18           HN       CYS  18  -2.223  -3.052  -2.411
  130    HA   CYS  18           HA       CYS  18  -0.394  -0.883  -2.458
  131   1HB   CYS  18          HB2       CYS  18  -0.445  -3.182  -1.207
  132   2HB   CYS  18          HB1       CYS  18   0.436  -3.776  -2.615
  133    H    CYS  19           HN       CYS  19   1.117  -0.203  -3.987
  134    HA   CYS  19           HA       CYS  19   0.774  -0.563  -6.731
  135   1HB   CYS  19          HB2       CYS  19   3.376  -0.148  -5.222
  136   2HB   CYS  19          HB1       CYS  19   3.058   0.326  -6.891
  137    H    SER  20           HN       SER  20   2.539  -1.647  -8.205
  138    HA   SER  20           HA       SER  20   2.560  -4.514  -7.578
  139   1HB   SER  20          HB2       SER  20   4.025  -3.340  -9.896
  140   2HB   SER  20          HB1       SER  20   2.927  -4.715  -9.849
  141    HG   SER  20           HG       SER  20   2.238  -2.565 -10.822
  142    H    GLY  21           HN       GLY  21   4.171  -5.351  -6.314
  143   1HA   GLY  21          HA2       GLY  21   6.561  -5.937  -6.173
  144   2HA   GLY  21          HA1       GLY  21   6.939  -4.299  -6.712
  145    H    LEU  22           HN       LEU  22   4.388  -4.018  -4.622
  146    HA   LEU  22           HA       LEU  22   6.231  -3.495  -2.312
  147   1HB   LEU  22          HB2       LEU  22   3.735  -2.162  -3.374
  148   2HB   LEU  22          HB1       LEU  22   4.323  -1.848  -1.741
  149    HG   LEU  22           HG       LEU  22   5.815  -1.378  -4.336
  150   1HD1  LEU  22          HD11      LEU  22   5.256   0.803  -4.086
  151   2HD1  LEU  22          HD12      LEU  22   5.586   0.772  -2.354
  152   3HD1  LEU  22          HD13      LEU  22   4.023   0.227  -2.963
  153   1HD2  LEU  22          HD21      LEU  22   7.555  -0.412  -2.702
  154   2HD2  LEU  22          HD22      LEU  22   7.460  -2.170  -2.809
  155   3HD2  LEU  22          HD23      LEU  22   6.716  -1.328  -1.450
  156    H    LYS  23           HN       LYS  23   5.870  -4.793  -0.561
  157    HA   LYS  23           HA       LYS  23   3.227  -6.191  -0.355
  158   1HB   LYS  23          HB2       LYS  23   5.171  -7.633  -0.687
  159   2HB   LYS  23          HB1       LYS  23   6.011  -6.856   0.656
  160   1HG   LYS  23          HG2       LYS  23   3.719  -7.586   1.903
  161   2HG   LYS  23          HG1       LYS  23   3.834  -8.871   0.700
  162   1HD   LYS  23          HD2       LYS  23   5.376  -9.889   1.980
  163   2HD   LYS  23          HD1       LYS  23   6.444  -8.505   1.744
  164   1HE   LYS  23          HE2       LYS  23   5.536  -7.387   3.700
  165   2HE   LYS  23          HE1       LYS  23   4.294  -8.641   3.888
  166   1HZ   LYS  23          HZ1       LYS  23   5.880 -10.252   4.384
  167   2HZ   LYS  23          HZ2       LYS  23   6.433  -8.894   5.240
  168   3HZ   LYS  23          HZ3       LYS  23   7.165  -9.331   3.771
  169    H    CYS  24           HN       CYS  24   1.952  -5.140   1.133
  170    HA   CYS  24           HA       CYS  24   2.823  -3.333   3.141
  171   1HB   CYS  24          HB2       CYS  24   0.428  -4.574   2.185
  172   2HB   CYS  24          HB1       CYS  24   0.437  -4.697   3.944
  173    H    ASP  25           HN       ASP  25   4.191  -3.875   4.809
  174    HA   ASP  25           HA       ASP  25   4.252  -6.630   5.869
  175   1HB   ASP  25          HB2       ASP  25   6.022  -4.450   5.546
  176   2HB   ASP  25          HB1       ASP  25   5.852  -4.680   7.287
  177    H    GLY  26           HN       GLY  26   1.759  -5.406   6.383
  178   1HA   GLY  26          HA2       GLY  26   0.841  -5.914   8.764
  179   2HA   GLY  26          HA1       GLY  26   1.933  -4.618   9.256
  180    H    SER  27           HN       SER  27   1.619  -2.675   7.434
  181    HA   SER  27           HA       SER  27  -1.233  -2.224   6.846
  182   1HB   SER  27          HB2       SER  27   0.323  -0.714   8.961
  183   2HB   SER  27          HB1       SER  27  -1.213  -0.154   8.303
  184    HG   SER  27           HG       SER  27  -1.593  -1.361  10.159
  185    H    GLU  28           HN       GLU  28   1.987  -0.725   7.138
  186    HA   GLU  28           HA       GLU  28   1.389   1.155   4.937
  187   1HB   GLU  28          HB2       GLU  28   3.613   0.658   6.904
  188   2HB   GLU  28          HB1       GLU  28   3.895   1.699   5.508
  189   1HG   GLU  28          HG2       GLU  28   2.228   3.242   6.174
  190   2HG   GLU  28          HG1       GLU  28   1.506   2.099   7.306
  191    H    CYS  29           HN       CYS  29   1.772   0.583   2.841
  192    HA   CYS  29           HA       CYS  29   2.775  -1.859   1.912
  193   1HB   CYS  29          HB2       CYS  29   2.449   0.914   0.864
  194   2HB   CYS  29          HB1       CYS  29   3.400  -0.204  -0.114
  195    H    HIS  30           HN       HIS  30   4.797  -2.743   1.985
  196    HA   HIS  30           HA       HIS  30   7.138  -0.899   2.343
  197   1HB   HIS  30          HB2       HIS  30   6.217  -3.414   3.577
  198   2HB   HIS  30          HB1       HIS  30   7.929  -3.411   3.151
  199    HD1  HIS  30           HD1      HIS  30   9.166  -2.829   5.243
  200    HD2  HIS  30           HD2      HIS  30   5.791  -0.435   4.733
  201    HE1  HIS  30           HE1      HIS  30   9.206  -1.126   7.116
  202    HA   PRO  31           HA       PRO  31   9.021  -2.566  -1.253
  203   1HB   PRO  31          HB2       PRO  31  11.571  -3.175  -0.468
  204   2HB   PRO  31          HB1       PRO  31  10.992  -1.508  -0.663
  205   1HG   PRO  31          HG2       PRO  31  11.344  -3.112   1.818
  206   2HG   PRO  31          HG1       PRO  31  11.647  -1.391   1.532
  207   1HD   PRO  31          HD2       PRO  31   9.432  -2.348   2.813
  208   2HD   PRO  31          HD1       PRO  31   9.473  -0.809   1.926
  209    H    GLN  32           HN       GLN  32   9.149  -4.559  -2.308
  210    HA   GLN  32           HA       GLN  32   8.316  -6.957  -1.099
  211   1HB   GLN  32          HB2       GLN  32   9.133  -7.979  -3.178
  212   2HB   GLN  32          HB1       GLN  32   8.397  -6.416  -3.532
  213   1HG   GLN  32          HG2       GLN  32  10.353  -5.545  -4.261
  214   2HG   GLN  32          HG1       GLN  32  11.246  -6.202  -2.889
  215   1HE2  GLN  32          HE21      GLN  32  12.592  -6.401  -5.252
  216   2HE2  GLN  32          HE22      GLN  32  12.543  -7.983  -5.866
  Start of MODEL   16
    1   1H    TRP   1           HT1      TRP   1   3.490   5.857 -14.474
    2   2H    TRP   1           HT2      TRP   1   2.043   6.158 -15.312
    3   3H    TRP   1           HT3      TRP   1   2.163   4.820 -14.274
    4    HA   TRP   1           HA       TRP   1   2.670   7.436 -13.078
    5   1HB   TRP   1          HB2       TRP   1   0.313   6.708 -14.650
    6   2HB   TRP   1          HB1       TRP   1  -0.101   7.120 -12.986
    7    HD1  TRP   1           HD1      TRP   1  -1.176   9.442 -13.703
    8    HE1  TRP   1           HE1      TRP   1  -0.119  11.689 -14.394
    9    HE3  TRP   1           HE3      TRP   1   3.600   7.911 -14.656
   10    HZ2  TRP   1           HZ2      TRP   1   2.417  12.703 -15.239
   11    HZ3  TRP   1           HZ3      TRP   1   5.315   9.536 -15.403
   12    HH2  TRP   1           HH2      TRP   1   4.731  11.927 -15.696
   13    H    LEU   2           HN       LEU   2   1.658   7.365 -10.862
   14    HA   LEU   2           HA       LEU   2   2.207   4.887  -9.522
   15   1HB   LEU   2          HB2       LEU   2   1.306   7.618  -8.941
   16   2HB   LEU   2          HB1       LEU   2   0.622   6.423  -7.838
   17    HG   LEU   2           HG       LEU   2   3.377   5.780  -8.248
   18   1HD1  LEU   2          HD11      LEU   2   2.752   8.674  -8.024
   19   2HD1  LEU   2          HD12      LEU   2   4.182   7.878  -8.682
   20   3HD1  LEU   2          HD13      LEU   2   4.004   8.071  -6.938
   21   1HD2  LEU   2          HD21      LEU   2   2.489   7.077  -5.729
   22   2HD2  LEU   2          HD22      LEU   2   3.297   5.529  -5.972
   23   3HD2  LEU   2          HD23      LEU   2   1.559   5.668  -6.239
   24    H    GLY   3           HN       GLY   3  -0.896   6.420  -8.914
   25   1HA   GLY   3          HA2       GLY   3  -3.091   5.594  -9.084
   26   2HA   GLY   3          HA1       GLY   3  -2.503   4.454 -10.293
   27    H    CYS   4           HN       CYS   4  -0.772   4.391  -7.336
   28    HA   CYS   4           HA       CYS   4  -2.494   2.338  -6.098
   29   1HB   CYS   4          HB2       CYS   4  -0.474   0.732  -6.201
   30   2HB   CYS   4          HB1       CYS   4  -1.380   0.970  -7.694
   31    H    ALA   5           HN       ALA   5  -1.706   1.754  -3.948
   32    HA   ALA   5           HA       ALA   5  -0.799   3.831  -2.333
   33   1HB   ALA   5          HB1       ALA   5  -1.338   2.185  -0.888
   34   2HB   ALA   5          HB2       ALA   5   0.184   1.381  -1.270
   35   3HB   ALA   5          HB3       ALA   5  -1.271   0.998  -2.190
   36    H    ARG   6           HN       ARG   6   1.290   4.349  -1.416
   37    HA   ARG   6           HA       ARG   6   3.583   3.581  -3.179
   38   1HB   ARG   6          HB2       ARG   6   3.186   5.905  -1.264
   39   2HB   ARG   6          HB1       ARG   6   4.540   5.704  -2.375
   40   1HG   ARG   6          HG2       ARG   6   3.334   6.404  -4.160
   41   2HG   ARG   6          HG1       ARG   6   1.906   5.495  -3.668
   42   1HD   ARG   6          HD2       ARG   6   2.378   7.662  -1.803
   43   2HD   ARG   6          HD1       ARG   6   2.273   8.286  -3.461
   44    HE   ARG   6           HE       ARG   6   0.234   6.296  -2.642
   45   1HH1  ARG   6          HH21      ARG   6   1.089   9.614  -2.752
   46   2HH1  ARG   6          HH22      ARG   6  -0.495  10.154  -3.201
   47   1HH2  ARG   6          HH11      ARG   6  -1.803   6.955  -3.463
   48   2HH2  ARG   6          HH12      ARG   6  -2.131   8.650  -3.601
   49    H    VAL   7           HN       VAL   7   5.688   4.213  -1.537
   50    HA   VAL   7           HA       VAL   7   5.632   2.010   0.434
   51    HB   VAL   7           HB       VAL   7   7.772   3.836  -0.705
   52   1HG1  VAL   7          HG11      VAL   7   7.784   2.267   1.721
   53   2HG1  VAL   7          HG12      VAL   7   9.067   3.275   1.053
   54   3HG1  VAL   7          HG13      VAL   7   8.929   1.586   0.565
   55   1HG2  VAL   7          HG21      VAL   7   8.541   1.729  -1.761
   56   2HG2  VAL   7          HG22      VAL   7   6.885   2.114  -2.234
   57   3HG2  VAL   7          HG23      VAL   7   7.189   0.872  -1.018
   58    H    LYS   8           HN       LYS   8   3.995   3.676   1.566
   59    HA   LYS   8           HA       LYS   8   5.232   4.586   3.933
   60   1HB   LYS   8          HB2       LYS   8   5.122   6.395   1.634
   61   2HB   LYS   8          HB1       LYS   8   4.415   7.094   3.091
   62   1HG   LYS   8          HG2       LYS   8   6.425   7.255   4.133
   63   2HG   LYS   8          HG1       LYS   8   6.945   5.669   3.565
   64   1HD   LYS   8          HD2       LYS   8   8.400   7.043   2.381
   65   2HD   LYS   8          HD1       LYS   8   7.076   6.900   1.225
   66   1HE   LYS   8          HE2       LYS   8   6.107   9.026   2.105
   67   2HE   LYS   8          HE1       LYS   8   7.510   9.187   3.180
   68   1HZ   LYS   8          HZ1       LYS   8   8.750   8.672   0.914
   69   2HZ   LYS   8          HZ2       LYS   8   8.343  10.256   1.375
   70   3HZ   LYS   8          HZ3       LYS   8   7.367   9.412   0.270
   71    H    GLU   9           HN       GLU   9   2.490   4.725   1.740
   72    HA   GLU   9           HA       GLU   9   0.594   5.660   3.776
   73   1HB   GLU   9          HB2       GLU   9   0.403   6.088   1.321
   74   2HB   GLU   9          HB1       GLU   9   0.189   4.355   1.062
   75   1HG   GLU   9          HG2       GLU   9  -2.003   5.415   1.125
   76   2HG   GLU   9          HG1       GLU   9  -1.806   4.422   2.569
   77    H    ALA  10           HN       ALA  10  -1.062   4.406   4.679
   78    HA   ALA  10           HA       ALA  10  -0.284   1.621   5.250
   79   1HB   ALA  10          HB1       ALA  10  -1.228   2.180   7.223
   80   2HB   ALA  10          HB2       ALA  10  -2.733   2.650   6.431
   81   3HB   ALA  10          HB3       ALA  10  -1.411   3.810   6.573
   82    H    CYS  11           HN       CYS  11  -1.272  -0.112   4.266
   83    HA   CYS  11           HA       CYS  11  -3.766   0.421   2.697
   84   1HB   CYS  11          HB2       CYS  11  -2.901  -1.003   1.081
   85   2HB   CYS  11          HB1       CYS  11  -1.403  -0.380   1.761
   86    H    GLY  12           HN       GLY  12  -5.589  -0.798   3.162
   87   1HA   GLY  12          HA2       GLY  12  -5.339  -2.750   5.405
   88   2HA   GLY  12          HA1       GLY  12  -6.822  -1.900   4.972
   89    HA   PRO  13           HA       PRO  13  -6.921  -6.106   3.052
   90   1HB   PRO  13          HB2       PRO  13  -9.424  -6.742   3.955
   91   2HB   PRO  13          HB1       PRO  13  -7.949  -7.058   4.889
   92   1HG   PRO  13          HG2       PRO  13  -9.923  -4.847   5.161
   93   2HG   PRO  13          HG1       PRO  13  -9.064  -5.754   6.416
   94   1HD   PRO  13          HD2       PRO  13  -8.343  -3.252   5.614
   95   2HD   PRO  13          HD1       PRO  13  -7.195  -4.439   6.271
   96    H    TRP  14           HN       TRP  14  -9.861  -4.105   3.447
   97    HA   TRP  14           HA       TRP  14 -10.395  -4.428   0.521
   98   1HB   TRP  14          HB2       TRP  14 -11.937  -4.376   2.989
   99   2HB   TRP  14          HB1       TRP  14 -12.574  -3.224   1.815
  100    HD1  TRP  14           HD1      TRP  14 -12.547  -6.829   2.650
  101    HE1  TRP  14           HE1      TRP  14 -13.654  -8.197   0.767
  102    HE3  TRP  14           HE3      TRP  14 -12.793  -3.268  -1.004
  103    HZ2  TRP  14           HZ2      TRP  14 -14.529  -7.832  -1.931
  104    HZ3  TRP  14           HZ3      TRP  14 -13.768  -3.806  -3.219
  105    HH2  TRP  14           HH2      TRP  14 -14.635  -6.080  -3.686
  106    H    GLU  15           HN       GLU  15  -8.374  -2.557   1.247
  107    HA   GLU  15           HA       GLU  15  -9.729   0.101   1.082
  108   1HB   GLU  15          HB2       GLU  15  -7.010  -0.914   1.904
  109   2HB   GLU  15          HB1       GLU  15  -7.268   0.797   1.565
  110   1HG   GLU  15          HG2       GLU  15  -9.396  -0.194   3.242
  111   2HG   GLU  15          HG1       GLU  15  -7.836  -0.575   3.972
  112    H    TRP  16           HN       TRP  16  -6.474  -0.552  -0.042
  113    HA   TRP  16           HA       TRP  16  -7.308  -0.351  -2.891
  114   1HB   TRP  16          HB2       TRP  16  -5.336   1.466  -2.929
  115   2HB   TRP  16          HB1       TRP  16  -6.999   1.926  -2.581
  116    HD1  TRP  16           HD1      TRP  16  -3.873   0.778  -0.598
  117    HE1  TRP  16           HE1      TRP  16  -3.840   2.051   1.644
  118    HE3  TRP  16           HE3      TRP  16  -8.217   3.429  -1.024
  119    HZ2  TRP  16           HZ2      TRP  16  -5.442   3.945   3.067
  120    HZ3  TRP  16           HZ3      TRP  16  -8.939   4.959   0.788
  121    HH2  TRP  16           HH2      TRP  16  -7.559   5.220   2.831
  122    HA   PRO  17           HA       PRO  17  -3.963  -3.204  -3.217
  123   1HB   PRO  17          HB2       PRO  17  -3.616  -3.095  -5.930
  124   2HB   PRO  17          HB1       PRO  17  -4.972  -3.945  -5.162
  125   1HG   PRO  17          HG2       PRO  17  -4.905  -1.263  -6.448
  126   2HG   PRO  17          HG1       PRO  17  -6.169  -2.502  -6.486
  127   1HD   PRO  17          HD2       PRO  17  -6.283  -0.282  -4.905
  128   2HD   PRO  17          HD1       PRO  17  -7.081  -1.818  -4.502
  129    H    CYS  18           HN       CYS  18  -1.770  -2.915  -2.976
  130    HA   CYS  18           HA       CYS  18  -0.592  -0.271  -3.386
  131   1HB   CYS  18          HB2       CYS  18  -0.208  -2.217  -1.608
  132   2HB   CYS  18          HB1       CYS  18   0.984  -2.750  -2.794
  133    H    CYS  19           HN       CYS  19   1.280   0.119  -4.794
  134    HA   CYS  19           HA       CYS  19   1.064  -0.719  -7.457
  135   1HB   CYS  19          HB2       CYS  19   3.626  -0.064  -5.964
  136   2HB   CYS  19          HB1       CYS  19   3.332   0.152  -7.686
  137    H    SER  20           HN       SER  20   1.883  -2.484  -8.641
  138    HA   SER  20           HA       SER  20   2.308  -4.979  -7.337
  139   1HB   SER  20          HB2       SER  20   3.371  -5.414  -9.739
  140   2HB   SER  20          HB1       SER  20   1.644  -5.119  -9.562
  141    HG   SER  20           HG       SER  20   2.799  -3.818 -11.177
  142    H    GLY  21           HN       GLY  21   4.061  -5.619  -6.179
  143   1HA   GLY  21          HA2       GLY  21   6.517  -6.135  -6.360
  144   2HA   GLY  21          HA1       GLY  21   6.726  -4.471  -6.911
  145    H    LEU  22           HN       LEU  22   4.365  -4.945  -4.456
  146    HA   LEU  22           HA       LEU  22   6.329  -4.162  -2.329
  147   1HB   LEU  22          HB2       LEU  22   3.765  -2.811  -3.200
  148   2HB   LEU  22          HB1       LEU  22   4.492  -2.509  -1.622
  149    HG   LEU  22           HG       LEU  22   6.421  -2.354  -3.826
  150   1HD1  LEU  22          HD11      LEU  22   4.129  -0.372  -3.686
  151   2HD1  LEU  22          HD12      LEU  22   4.452  -1.486  -5.015
  152   3HD1  LEU  22          HD13      LEU  22   5.584  -0.180  -4.663
  153   1HD2  LEU  22          HD21      LEU  22   6.953  -0.220  -2.636
  154   2HD2  LEU  22          HD22      LEU  22   6.926  -1.609  -1.552
  155   3HD2  LEU  22          HD23      LEU  22   5.562  -0.493  -1.586
  156    H    LYS  23           HN       LYS  23   5.169  -4.269  -0.120
  157    HA   LYS  23           HA       LYS  23   2.907  -6.156   0.028
  158   1HB   LYS  23          HB2       LYS  23   5.490  -7.095  -0.117
  159   2HB   LYS  23          HB1       LYS  23   5.238  -6.989   1.627
  160   1HG   LYS  23          HG2       LYS  23   2.946  -8.106   0.178
  161   2HG   LYS  23          HG1       LYS  23   4.411  -9.080   0.040
  162   1HD   LYS  23          HD2       LYS  23   4.648  -9.146   2.465
  163   2HD   LYS  23          HD1       LYS  23   3.268  -8.067   2.658
  164   1HE   LYS  23          HE2       LYS  23   3.037 -10.736   1.239
  165   2HE   LYS  23          HE1       LYS  23   2.751 -10.548   2.981
  166   1HZ   LYS  23          HZ1       LYS  23   1.187  -8.746   2.462
  167   2HZ   LYS  23          HZ2       LYS  23   0.689 -10.227   1.793
  168   3HZ   LYS  23          HZ3       LYS  23   1.399  -9.041   0.805
  169    H    CYS  24           HN       CYS  24   1.648  -5.074   1.522
  170    HA   CYS  24           HA       CYS  24   2.485  -3.126   3.377
  171   1HB   CYS  24          HB2       CYS  24   0.160  -4.754   2.773
  172   2HB   CYS  24          HB1       CYS  24   0.320  -4.531   4.514
  173    H    ASP  25           HN       ASP  25   4.453  -3.885   4.392
  174    HA   ASP  25           HA       ASP  25   4.493  -6.382   5.911
  175   1HB   ASP  25          HB2       ASP  25   6.458  -5.421   4.780
  176   2HB   ASP  25          HB1       ASP  25   6.348  -3.980   5.789
  177    H    GLY  26           HN       GLY  26   2.491  -5.730   7.214
  178   1HA   GLY  26          HA2       GLY  26   2.197  -5.495   9.662
  179   2HA   GLY  26          HA1       GLY  26   3.348  -4.159   9.606
  180    H    SER  27           HN       SER  27   2.573  -2.444   7.826
  181    HA   SER  27           HA       SER  27  -0.339  -2.084   7.720
  182   1HB   SER  27          HB2       SER  27   0.372   0.266   8.965
  183   2HB   SER  27          HB1       SER  27  -0.347  -1.120   9.782
  184    HG   SER  27           HG       SER  27   1.885  -0.108  10.398
  185    H    GLU  28           HN       GLU  28   2.895  -0.714   7.266
  186    HA   GLU  28           HA       GLU  28   1.878   1.119   5.155
  187   1HB   GLU  28          HB2       GLU  28   4.650   0.734   6.329
  188   2HB   GLU  28          HB1       GLU  28   4.107   2.099   5.353
  189   1HG   GLU  28          HG2       GLU  28   2.608   2.844   7.060
  190   2HG   GLU  28          HG1       GLU  28   2.795   1.346   7.972
  191    H    CYS  29           HN       CYS  29   2.608   0.958   2.985
  192    HA   CYS  29           HA       CYS  29   3.181  -1.692   1.995
  193   1HB   CYS  29          HB2       CYS  29   2.772   1.065   0.999
  194   2HB   CYS  29          HB1       CYS  29   3.740   0.030  -0.053
  195    H    HIS  30           HN       HIS  30   5.163  -2.668   1.978
  196    HA   HIS  30           HA       HIS  30   7.603  -0.920   2.036
  197   1HB   HIS  30          HB2       HIS  30   6.725  -3.411   3.399
  198   2HB   HIS  30          HB1       HIS  30   8.422  -3.353   2.922
  199    HD1  HIS  30           HD1      HIS  30   9.565  -2.825   5.106
  200    HD2  HIS  30           HD2      HIS  30   6.348  -0.282   4.361
  201    HE1  HIS  30           HE1      HIS  30   9.632  -1.040   6.902
  202    HA   PRO  31           HA       PRO  31   9.014  -2.849  -1.652
  203   1HB   PRO  31          HB2       PRO  31  11.669  -3.279  -1.156
  204   2HB   PRO  31          HB1       PRO  31  10.988  -1.663  -1.426
  205   1HG   PRO  31          HG2       PRO  31  11.767  -2.986   1.114
  206   2HG   PRO  31          HG1       PRO  31  11.892  -1.286   0.639
  207   1HD   PRO  31          HD2       PRO  31   9.937  -2.301   2.289
  208   2HD   PRO  31          HD1       PRO  31   9.777  -0.809   1.338
  209    H    GLN  32           HN       GLN  32   9.492  -4.929  -2.572
  210    HA   GLN  32           HA       GLN  32   8.635  -7.250  -1.352
  211   1HB   GLN  32          HB2       GLN  32   9.456  -6.748  -3.749
  212   2HB   GLN  32          HB1       GLN  32  11.060  -7.182  -3.154
  213   1HG   GLN  32          HG2       GLN  32  10.130  -9.369  -2.376
  214   2HG   GLN  32          HG1       GLN  32   8.589  -8.939  -3.123
  215   1HE2  GLN  32          HE21      GLN  32  11.799 -10.143  -3.751
  216   2HE2  GLN  32          HE22      GLN  32  11.634 -10.293  -5.434
  Start of MODEL   17
    1   1H    TRP   1           HT1      TRP   1  -8.171   7.725  -4.992
    2   2H    TRP   1           HT2      TRP   1  -7.827   6.404  -3.981
    3   3H    TRP   1           HT3      TRP   1  -8.278   6.144  -5.599
    4    HA   TRP   1           HA       TRP   1  -5.827   7.648  -4.861
    5   1HB   TRP   1          HB2       TRP   1  -4.782   5.339  -5.425
    6   2HB   TRP   1          HB1       TRP   1  -5.543   5.526  -3.846
    7    HD1  TRP   1           HD1      TRP   1  -7.397   3.875  -3.258
    8    HE1  TRP   1           HE1      TRP   1  -8.758   2.110  -4.554
    9    HE3  TRP   1           HE3      TRP   1  -5.820   4.860  -8.016
   10    HZ2  TRP   1           HZ2      TRP   1  -9.129   1.232  -7.250
   11    HZ3  TRP   1           HZ3      TRP   1  -6.694   3.546  -9.926
   12    HH2  TRP   1           HH2      TRP   1  -8.344   1.735  -9.551
   13    H    LEU   2           HN       LEU   2  -4.457   7.903  -6.729
   14    HA   LEU   2           HA       LEU   2  -5.898   8.092  -9.262
   15   1HB   LEU   2          HB2       LEU   2  -4.092   9.630  -8.233
   16   2HB   LEU   2          HB1       LEU   2  -2.934   8.421  -8.786
   17    HG   LEU   2           HG       LEU   2  -4.514   8.772 -11.015
   18   1HD1  LEU   2          HD11      LEU   2  -4.054  11.529 -10.845
   19   2HD1  LEU   2          HD12      LEU   2  -4.791  11.105  -9.299
   20   3HD1  LEU   2          HD13      LEU   2  -5.623  10.725 -10.807
   21   1HD2  LEU   2          HD21      LEU   2  -2.047  10.409 -10.365
   22   2HD2  LEU   2          HD22      LEU   2  -2.575   9.855 -11.953
   23   3HD2  LEU   2          HD23      LEU   2  -1.987   8.693 -10.763
   24    H    GLY   3           HN       GLY   3  -3.240   6.107  -7.977
   25   1HA   GLY   3          HA2       GLY   3  -3.765   4.151 -10.166
   26   2HA   GLY   3          HA1       GLY   3  -2.108   4.659  -9.833
   27    H    CYS   4           HN       CYS   4  -1.327   4.271  -7.565
   28    HA   CYS   4           HA       CYS   4  -2.787   2.195  -6.039
   29   1HB   CYS   4          HB2       CYS   4  -0.739   0.705  -6.205
   30   2HB   CYS   4          HB1       CYS   4  -1.626   0.896  -7.718
   31    H    ALA   5           HN       ALA   5  -1.763   1.828  -3.917
   32    HA   ALA   5           HA       ALA   5  -0.746   4.204  -2.686
   33   1HB   ALA   5          HB1       ALA   5  -0.056   1.865  -1.196
   34   2HB   ALA   5          HB2       ALA   5  -1.589   1.548  -2.009
   35   3HB   ALA   5          HB3       ALA   5  -1.429   2.942  -0.941
   36    H    ARG   6           HN       ARG   6   1.381   4.823  -2.214
   37    HA   ARG   6           HA       ARG   6   3.520   3.539  -3.769
   38   1HB   ARG   6          HB2       ARG   6   3.537   5.858  -1.808
   39   2HB   ARG   6          HB1       ARG   6   4.789   5.491  -2.995
   40   1HG   ARG   6          HG2       ARG   6   3.488   6.178  -4.787
   41   2HG   ARG   6          HG1       ARG   6   1.973   5.829  -3.953
   42   1HD   ARG   6          HD2       ARG   6   3.082   7.792  -2.350
   43   2HD   ARG   6          HD1       ARG   6   3.537   8.315  -3.985
   44    HE   ARG   6           HE       ARG   6   0.817   7.416  -4.006
   45   1HH1  ARG   6          HH11      ARG   6   1.679   9.949  -5.292
   46   2HH1  ARG   6          HH12      ARG   6   0.947  11.154  -4.286
   47   1HH2  ARG   6          HH21      ARG   6   0.366   8.975  -1.651
   48   2HH2  ARG   6          HH22      ARG   6   0.203  10.602  -2.224
   49    H    VAL   7           HN       VAL   7   5.746   3.611  -2.303
   50    HA   VAL   7           HA       VAL   7   5.338   1.493  -0.297
   51    HB   VAL   7           HB       VAL   7   7.134   1.339  -1.934
   52   1HG1  VAL   7          HG11      VAL   7   9.025   3.215  -1.348
   53   2HG1  VAL   7          HG12      VAL   7   7.549   4.144  -1.089
   54   3HG1  VAL   7          HG13      VAL   7   7.849   3.382  -2.651
   55   1HG2  VAL   7          HG21      VAL   7   7.553   1.352   0.918
   56   2HG2  VAL   7          HG22      VAL   7   9.030   1.876   0.108
   57   3HG2  VAL   7          HG23      VAL   7   8.305   0.321  -0.299
   58    H    LYS   8           HN       LYS   8   4.100   3.618   0.793
   59    HA   LYS   8           HA       LYS   8   5.442   4.099   3.218
   60   1HB   LYS   8          HB2       LYS   8   6.183   6.374   2.938
   61   2HB   LYS   8          HB1       LYS   8   6.802   5.478   1.553
   62   1HG   LYS   8          HG2       LYS   8   4.380   6.219   0.586
   63   2HG   LYS   8          HG1       LYS   8   4.714   7.576   1.661
   64   1HD   LYS   8          HD2       LYS   8   6.993   6.702  -0.013
   65   2HD   LYS   8          HD1       LYS   8   5.644   7.420  -0.893
   66   1HE   LYS   8          HE2       LYS   8   5.721   9.368   0.711
   67   2HE   LYS   8          HE1       LYS   8   7.208   8.674   1.389
   68   1HZ   LYS   8          HZ1       LYS   8   7.445  10.312  -0.547
   69   2HZ   LYS   8          HZ2       LYS   8   6.879   9.043  -1.525
   70   3HZ   LYS   8          HZ3       LYS   8   8.313   8.858  -0.634
   71    H    GLU   9           HN       GLU   9   2.797   3.438   2.129
   72    HA   GLU   9           HA       GLU   9   1.204   5.582   3.497
   73   1HB   GLU   9          HB2       GLU   9   1.226   4.733   0.722
   74   2HB   GLU   9          HB1       GLU   9  -0.361   4.448   1.439
   75   1HG   GLU   9          HG2       GLU   9  -0.063   6.866   2.407
   76   2HG   GLU   9          HG1       GLU   9   1.130   7.039   1.120
   77    H    ALA  10           HN       ALA  10  -0.404   4.840   4.764
   78    HA   ALA  10           HA       ALA  10  -0.348   2.140   5.724
   79   1HB   ALA  10          HB1       ALA  10  -2.560   3.121   6.770
   80   2HB   ALA  10          HB2       ALA  10  -2.011   4.618   6.015
   81   3HB   ALA  10          HB3       ALA  10  -0.999   3.812   7.214
   82    H    CYS  11           HN       CYS  11  -1.142   0.420   4.547
   83    HA   CYS  11           HA       CYS  11  -3.727   0.825   3.087
   84   1HB   CYS  11          HB2       CYS  11  -2.771   0.032   1.166
   85   2HB   CYS  11          HB1       CYS  11  -1.269   0.520   1.937
   86    H    GLY  12           HN       GLY  12  -5.045  -1.153   2.940
   87   1HA   GLY  12          HA2       GLY  12  -4.423  -3.072   5.150
   88   2HA   GLY  12          HA1       GLY  12  -6.063  -2.622   4.678
   89    HA   PRO  13           HA       PRO  13  -5.236  -6.529   2.495
   90   1HB   PRO  13          HB2       PRO  13  -7.829  -7.400   2.632
   91   2HB   PRO  13          HB1       PRO  13  -6.658  -7.635   3.945
   92   1HG   PRO  13          HG2       PRO  13  -8.821  -5.609   3.679
   93   2HG   PRO  13          HG1       PRO  13  -8.269  -6.490   5.112
   94   1HD   PRO  13          HD2       PRO  13  -7.588  -3.903   4.577
   95   2HD   PRO  13          HD1       PRO  13  -6.575  -5.010   5.530
   96    H    TRP  14           HN       TRP  14  -8.605  -5.830   1.831
   97    HA   TRP  14           HA       TRP  14  -8.007  -5.497  -1.033
   98   1HB   TRP  14          HB2       TRP  14 -10.335  -5.978   0.753
   99   2HB   TRP  14          HB1       TRP  14 -10.685  -5.145  -0.762
  100    HD1  TRP  14           HD1      TRP  14  -8.156  -7.984  -0.059
  101    HE1  TRP  14           HE1      TRP  14  -8.649  -9.918  -1.691
  102    HE3  TRP  14           HE3      TRP  14 -12.286  -6.120  -2.416
  103    HZ2  TRP  14           HZ2      TRP  14 -10.542 -10.587  -3.725
  104    HZ3  TRP  14           HZ3      TRP  14 -13.413  -7.426  -4.196
  105    HH2  TRP  14           HH2      TRP  14 -12.547  -9.655  -4.853
  106    H    GLU  15           HN       GLU  15  -8.101  -3.431   1.609
  107    HA   GLU  15           HA       GLU  15  -9.357  -1.136   0.245
  108   1HB   GLU  15          HB2       GLU  15  -9.155  -1.944   2.821
  109   2HB   GLU  15          HB1       GLU  15  -7.772  -0.851   2.748
  110   1HG   GLU  15          HG2       GLU  15  -9.174   0.894   2.946
  111   2HG   GLU  15          HG1       GLU  15  -9.916   0.444   1.410
  112    H    TRP  16           HN       TRP  16  -8.210   0.484  -0.789
  113    HA   TRP  16           HA       TRP  16  -6.358   1.509  -1.850
  114   1HB   TRP  16          HB2       TRP  16  -5.308   0.831   0.916
  115   2HB   TRP  16          HB1       TRP  16  -4.518   1.951  -0.194
  116    HD1  TRP  16           HD1      TRP  16  -6.501   3.841  -1.224
  117    HE1  TRP  16           HE1      TRP  16  -8.037   5.299   0.244
  118    HE3  TRP  16           HE3      TRP  16  -6.374   1.158   3.120
  119    HZ2  TRP  16           HZ2      TRP  16  -9.074   5.325   2.910
  120    HZ3  TRP  16           HZ3      TRP  16  -7.644   1.923   5.106
  121    HH2  TRP  16           HH2      TRP  16  -8.993   4.000   5.006
  122    HA   PRO  17           HA       PRO  17  -4.420  -2.500  -2.952
  123   1HB   PRO  17          HB2       PRO  17  -4.424  -2.015  -5.647
  124   2HB   PRO  17          HB1       PRO  17  -5.818  -2.695  -4.786
  125   1HG   PRO  17          HG2       PRO  17  -5.332   0.100  -5.688
  126   2HG   PRO  17          HG1       PRO  17  -6.830  -0.844  -5.695
  127   1HD   PRO  17          HD2       PRO  17  -6.263   1.052  -3.823
  128   2HD   PRO  17          HD1       PRO  17  -7.305  -0.353  -3.509
  129    H    CYS  18           HN       CYS  18  -2.297  -2.117  -2.266
  130    HA   CYS  18           HA       CYS  18  -0.663   0.105  -2.959
  131   1HB   CYS  18          HB2       CYS  18  -0.521  -1.954  -1.243
  132   2HB   CYS  18          HB1       CYS  18   0.539  -2.591  -2.501
  133    H    CYS  19           HN       CYS  19   1.108   0.222  -4.498
  134    HA   CYS  19           HA       CYS  19   0.561  -0.579  -7.142
  135   1HB   CYS  19          HB2       CYS  19   3.218  -0.040  -5.776
  136   2HB   CYS  19          HB1       CYS  19   2.931   0.045  -7.514
  137    H    SER  20           HN       SER  20   2.457  -1.955  -8.347
  138    HA   SER  20           HA       SER  20   2.160  -4.697  -7.321
  139   1HB   SER  20          HB2       SER  20   3.630  -3.631  -9.749
  140   2HB   SER  20          HB1       SER  20   3.057  -5.278  -9.503
  141    HG   SER  20           HG       SER  20   1.756  -3.220 -10.544
  142    H    GLY  21           HN       GLY  21   3.833  -5.934  -6.449
  143   1HA   GLY  21          HA2       GLY  21   6.100  -6.488  -5.915
  144   2HA   GLY  21          HA1       GLY  21   6.605  -4.920  -6.548
  145    H    LEU  22           HN       LEU  22   3.899  -4.684  -4.513
  146    HA   LEU  22           HA       LEU  22   5.636  -4.000  -2.164
  147   1HB   LEU  22          HB2       LEU  22   3.570  -2.469  -3.690
  148   2HB   LEU  22          HB1       LEU  22   3.647  -2.214  -1.947
  149    HG   LEU  22           HG       LEU  22   6.097  -2.077  -3.714
  150   1HD1  LEU  22          HD11      LEU  22   4.047   0.019  -3.031
  151   2HD1  LEU  22          HD12      LEU  22   4.818  -0.310  -4.583
  152   3HD1  LEU  22          HD13      LEU  22   5.730   0.474  -3.293
  153   1HD2  LEU  22          HD21      LEU  22   7.064  -0.930  -1.808
  154   2HD2  LEU  22          HD22      LEU  22   6.336  -2.429  -1.230
  155   3HD2  LEU  22          HD23      LEU  22   5.505  -0.893  -0.986
  156    H    LYS  23           HN       LYS  23   4.806  -4.669  -0.168
  157    HA   LYS  23           HA       LYS  23   2.024  -5.755  -0.096
  158   1HB   LYS  23          HB2       LYS  23   2.874  -7.806   0.925
  159   2HB   LYS  23          HB1       LYS  23   3.708  -7.541  -0.606
  160   1HG   LYS  23          HG2       LYS  23   5.630  -7.746   0.563
  161   2HG   LYS  23          HG1       LYS  23   5.269  -6.152   1.225
  162   1HD   LYS  23          HD2       LYS  23   4.594  -6.994   3.244
  163   2HD   LYS  23          HD1       LYS  23   3.889  -8.440   2.520
  164   1HE   LYS  23          HE2       LYS  23   6.713  -8.547   2.071
  165   2HE   LYS  23          HE1       LYS  23   6.442  -8.192   3.790
  166   1HZ   LYS  23          HZ1       LYS  23   5.275 -10.100   4.107
  167   2HZ   LYS  23          HZ2       LYS  23   6.271 -10.642   2.842
  168   3HZ   LYS  23          HZ3       LYS  23   4.679 -10.146   2.519
  169    H    CYS  24           HN       CYS  24   1.032  -4.725   1.583
  170    HA   CYS  24           HA       CYS  24   2.358  -3.189   3.590
  171   1HB   CYS  24          HB2       CYS  24  -0.352  -4.238   2.977
  172   2HB   CYS  24          HB1       CYS  24  -0.077  -3.763   4.653
  173    H    ASP  25           HN       ASP  25   3.544  -3.957   5.292
  174    HA   ASP  25           HA       ASP  25   3.436  -6.772   6.079
  175   1HB   ASP  25          HB2       ASP  25   5.504  -5.391   5.987
  176   2HB   ASP  25          HB1       ASP  25   4.857  -4.375   7.276
  177    H    GLY  26           HN       GLY  26   3.291  -3.910   8.184
  178   1HA   GLY  26          HA2       GLY  26   1.100  -5.273   9.697
  179   2HA   GLY  26          HA1       GLY  26   2.319  -4.252  10.463
  180    H    SER  27           HN       SER  27   2.159  -2.352   8.115
  181    HA   SER  27           HA       SER  27  -0.572  -1.273   8.230
  182   1HB   SER  27          HB2       SER  27   0.174  -0.503  10.357
  183   2HB   SER  27          HB1       SER  27   1.772  -0.101   9.732
  184    HG   SER  27           HG       SER  27   0.414   1.741   9.984
  185    H    GLU  28           HN       GLU  28   2.712   0.055   7.786
  186    HA   GLU  28           HA       GLU  28   1.905   1.498   5.374
  187   1HB   GLU  28          HB2       GLU  28   4.623   0.994   6.629
  188   2HB   GLU  28          HB1       GLU  28   4.238   2.259   5.462
  189   1HG   GLU  28          HG2       GLU  28   3.054   3.517   7.001
  190   2HG   GLU  28          HG1       GLU  28   2.603   2.108   7.961
  191    H    CYS  29           HN       CYS  29   2.512   0.990   3.235
  192    HA   CYS  29           HA       CYS  29   2.794  -1.750   2.495
  193   1HB   CYS  29          HB2       CYS  29   2.907   0.938   1.248
  194   2HB   CYS  29          HB1       CYS  29   3.709  -0.347   0.343
  195    H    HIS  30           HN       HIS  30   4.620  -3.022   2.189
  196    HA   HIS  30           HA       HIS  30   7.268  -1.743   2.763
  197   1HB   HIS  30          HB2       HIS  30   5.944  -4.347   3.350
  198   2HB   HIS  30          HB1       HIS  30   7.685  -4.390   3.067
  199    HD1  HIS  30           HD1      HIS  30   9.174  -2.846   4.655
  200    HD2  HIS  30           HD2      HIS  30   5.193  -3.260   5.817
  201    HE1  HIS  30           HE1      HIS  30   9.040  -2.039   7.052
  202    HA   PRO  31           HA       PRO  31   8.193  -2.672  -1.481
  203   1HB   PRO  31          HB2       PRO  31  10.822  -1.925  -1.409
  204   2HB   PRO  31          HB1       PRO  31   9.488  -0.755  -1.465
  205   1HG   PRO  31          HG2       PRO  31  11.151  -1.620   0.838
  206   2HG   PRO  31          HG1       PRO  31  10.471  -0.029   0.467
  207   1HD   PRO  31          HD2       PRO  31   9.421  -1.780   2.312
  208   2HD   PRO  31          HD1       PRO  31   8.497  -0.496   1.501
  209    H    GLN  32           HN       GLN  32   7.944  -5.039  -0.868
  210    HA   GLN  32           HA       GLN  32   8.806  -7.238  -0.623
  211   1HB   GLN  32          HB2       GLN  32  10.807  -5.712  -2.305
  212   2HB   GLN  32          HB1       GLN  32  10.929  -7.454  -2.056
  213   1HG   GLN  32          HG2       GLN  32   8.642  -7.738  -2.954
  214   2HG   GLN  32          HG1       GLN  32   8.539  -5.999  -3.226
  215   1HE2  GLN  32          HE21      GLN  32   9.938  -8.995  -4.429
  216   2HE2  GLN  32          HE22      GLN  32  10.629  -8.328  -5.830
  Start of MODEL   18
    1   1H    TRP   1           HT1      TRP   1  -5.578  -0.174  -7.724
    2   2H    TRP   1           HT2      TRP   1  -4.234  -0.332  -8.751
    3   3H    TRP   1           HT3      TRP   1  -5.547  -1.402  -8.894
    4    HA   TRP   1           HA       TRP   1  -6.031   0.010 -10.620
    5   1HB   TRP   1          HB2       TRP   1  -7.335   0.444  -8.062
    6   2HB   TRP   1          HB1       TRP   1  -7.431   1.890  -9.067
    7    HD1  TRP   1           HD1      TRP   1  -8.113  -1.905  -9.330
    8    HE1  TRP   1           HE1      TRP   1 -10.050  -2.262 -10.994
    9    HE3  TRP   1           HE3      TRP   1  -8.871   2.910 -10.851
   10    HZ2  TRP   1           HZ2      TRP   1 -11.701  -0.713 -12.740
   11    HZ3  TRP   1           HZ3      TRP   1 -10.631   3.440 -12.514
   12    HH2  TRP   1           HH2      TRP   1 -12.046   1.638 -13.459
   13    H    LEU   2           HN       LEU   2  -6.403   2.523 -11.092
   14    HA   LEU   2           HA       LEU   2  -4.129   3.853 -11.698
   15   1HB   LEU   2          HB2       LEU   2  -6.828   4.470 -11.386
   16   2HB   LEU   2          HB1       LEU   2  -6.002   5.682 -10.409
   17    HG   LEU   2           HG       LEU   2  -4.477   5.489 -12.756
   18   1HD1  LEU   2          HD11      LEU   2  -6.363   6.088 -14.423
   19   2HD1  LEU   2          HD12      LEU   2  -7.444   5.302 -13.273
   20   3HD1  LEU   2          HD13      LEU   2  -6.141   4.384 -14.026
   21   1HD2  LEU   2          HD21      LEU   2  -6.396   7.657 -12.847
   22   2HD2  LEU   2          HD22      LEU   2  -4.669   7.723 -12.495
   23   3HD2  LEU   2          HD23      LEU   2  -5.823   7.421 -11.196
   24    H    GLY   3           HN       GLY   3  -5.740   4.949  -8.725
   25   1HA   GLY   3          HA2       GLY   3  -3.171   5.843  -7.643
   26   2HA   GLY   3          HA1       GLY   3  -4.745   6.049  -6.877
   27    H    CYS   4           HN       CYS   4  -1.896   4.137  -6.979
   28    HA   CYS   4           HA       CYS   4  -3.147   2.041  -5.256
   29   1HB   CYS   4          HB2       CYS   4  -1.187   0.723  -5.862
   30   2HB   CYS   4          HB1       CYS   4  -1.867   1.423  -7.330
   31    H    ALA   5           HN       ALA   5  -0.733   1.280  -3.926
   32    HA   ALA   5           HA       ALA   5  -0.288   3.704  -2.218
   33   1HB   ALA   5          HB1       ALA   5   0.275   1.288  -0.823
   34   2HB   ALA   5          HB2       ALA   5  -1.237   1.042  -1.698
   35   3HB   ALA   5          HB3       ALA   5  -1.081   2.386  -0.567
   36    H    ARG   6           HN       ARG   6   1.776   4.443  -2.312
   37    HA   ARG   6           HA       ARG   6   3.933   2.795  -3.434
   38   1HB   ARG   6          HB2       ARG   6   3.710   5.610  -2.323
   39   2HB   ARG   6          HB1       ARG   6   5.190   4.962  -3.033
   40   1HG   ARG   6          HG2       ARG   6   2.671   4.688  -4.611
   41   2HG   ARG   6          HG1       ARG   6   3.399   6.291  -4.509
   42   1HD   ARG   6          HD2       ARG   6   4.462   5.366  -6.404
   43   2HD   ARG   6          HD1       ARG   6   5.626   5.012  -5.112
   44    HE   ARG   6           HE       ARG   6   3.636   2.925  -5.290
   45   1HH1  ARG   6          HH11      ARG   6   6.760   2.874  -5.045
   46   2HH1  ARG   6          HH12      ARG   6   7.149   1.962  -6.465
   47   1HH2  ARG   6          HH21      ARG   6   4.004   2.316  -7.881
   48   2HH2  ARG   6          HH22      ARG   6   5.590   1.646  -8.070
   49    H    VAL   7           HN       VAL   7   6.063   3.867  -1.820
   50    HA   VAL   7           HA       VAL   7   5.874   2.045   0.498
   51    HB   VAL   7           HB       VAL   7   8.155   3.808  -0.441
   52   1HG1  VAL   7          HG11      VAL   7   9.554   2.275   0.733
   53   2HG1  VAL   7          HG12      VAL   7   8.245   1.107   0.914
   54   3HG1  VAL   7          HG13      VAL   7   8.212   2.614   1.827
   55   1HG2  VAL   7          HG21      VAL   7   8.073   2.606  -2.359
   56   2HG2  VAL   7          HG22      VAL   7   6.895   1.477  -1.691
   57   3HG2  VAL   7          HG23      VAL   7   8.614   1.240  -1.385
   58    H    LYS   8           HN       LYS   8   4.124   3.901   1.154
   59    HA   LYS   8           HA       LYS   8   5.015   5.100   3.506
   60   1HB   LYS   8          HB2       LYS   8   5.912   6.416   1.172
   61   2HB   LYS   8          HB1       LYS   8   4.651   7.443   1.854
   62   1HG   LYS   8          HG2       LYS   8   6.035   6.738   4.106
   63   2HG   LYS   8          HG1       LYS   8   7.331   6.801   2.912
   64   1HD   LYS   8          HD2       LYS   8   5.302   9.013   3.326
   65   2HD   LYS   8          HD1       LYS   8   6.913   9.003   4.044
   66   1HE   LYS   8          HE2       LYS   8   7.978   9.109   1.899
   67   2HE   LYS   8          HE1       LYS   8   6.457   8.753   1.055
   68   1HZ   LYS   8          HZ1       LYS   8   7.303  11.220   2.393
   69   2HZ   LYS   8          HZ2       LYS   8   5.655  10.811   2.447
   70   3HZ   LYS   8          HZ3       LYS   8   6.433  11.020   0.951
   71    H    GLU   9           HN       GLU   9   2.695   3.776   2.349
   72    HA   GLU   9           HA       GLU   9   0.595   5.775   3.098
   73   1HB   GLU   9          HB2       GLU   9   1.159   5.087   0.521
   74   2HB   GLU   9          HB1       GLU   9  -0.016   3.837   0.937
   75   1HG   GLU   9          HG2       GLU   9  -1.541   5.651   1.781
   76   2HG   GLU   9          HG1       GLU   9  -0.400   6.836   1.143
   77    H    ALA  10           HN       ALA  10  -1.353   4.792   3.826
   78    HA   ALA  10           HA       ALA  10  -0.889   2.337   5.357
   79   1HB   ALA  10          HB1       ALA  10  -3.006   3.017   6.360
   80   2HB   ALA  10          HB2       ALA  10  -3.301   4.143   5.035
   81   3HB   ALA  10          HB3       ALA  10  -1.980   4.438   6.164
   82    H    CYS  11           HN       CYS  11  -1.120   0.436   4.218
   83    HA   CYS  11           HA       CYS  11  -3.396   0.213   2.281
   84   1HB   CYS  11          HB2       CYS  11  -1.969  -1.670   1.364
   85   2HB   CYS  11          HB1       CYS  11  -1.230  -0.074   1.248
   86    H    GLY  12           HN       GLY  12  -4.728  -1.669   2.412
   87   1HA   GLY  12          HA2       GLY  12  -4.282  -3.456   4.754
   88   2HA   GLY  12          HA1       GLY  12  -5.841  -2.651   4.575
   89    HA   PRO  13           HA       PRO  13  -6.520  -6.547   2.416
   90   1HB   PRO  13          HB2       PRO  13  -9.244  -6.452   2.655
   91   2HB   PRO  13          HB1       PRO  13  -8.178  -7.026   3.954
   92   1HG   PRO  13          HG2       PRO  13  -9.509  -4.385   3.628
   93   2HG   PRO  13          HG1       PRO  13  -9.245  -5.343   5.093
   94   1HD   PRO  13          HD2       PRO  13  -7.727  -3.182   4.410
   95   2HD   PRO  13          HD1       PRO  13  -7.127  -4.533   5.396
   96    H    TRP  14           HN       TRP  14  -9.487  -4.819   1.767
   97    HA   TRP  14           HA       TRP  14  -8.636  -4.512  -1.086
   98   1HB   TRP  14          HB2       TRP  14 -11.178  -5.097   0.388
   99   2HB   TRP  14          HB1       TRP  14 -11.291  -4.296  -1.179
  100    HD1  TRP  14           HD1      TRP  14 -11.530  -7.581   0.085
  101    HE1  TRP  14           HE1      TRP  14 -10.764  -9.372  -1.603
  102    HE3  TRP  14           HE3      TRP  14  -8.948  -4.647  -3.206
  103    HZ2  TRP  14           HZ2      TRP  14  -9.259  -9.539  -4.027
  104    HZ3  TRP  14           HZ3      TRP  14  -7.860  -5.649  -5.194
  105    HH2  TRP  14           HH2      TRP  14  -8.012  -8.090  -5.607
  106    H    GLU  15           HN       GLU  15  -8.597  -2.629   1.528
  107    HA   GLU  15           HA       GLU  15 -10.174  -0.333   0.637
  108   1HB   GLU  15          HB2       GLU  15  -9.769  -0.827   3.003
  109   2HB   GLU  15          HB1       GLU  15  -8.027  -0.721   2.746
  110   1HG   GLU  15          HG2       GLU  15  -8.325   1.440   3.420
  111   2HG   GLU  15          HG1       GLU  15  -8.811   1.680   1.741
  112    H    TRP  16           HN       TRP  16  -6.675  -0.786   1.158
  113    HA   TRP  16           HA       TRP  16  -6.181   1.039  -1.169
  114   1HB   TRP  16          HB2       TRP  16  -5.564   1.292   1.615
  115   2HB   TRP  16          HB1       TRP  16  -4.046   1.103   0.736
  116    HD1  TRP  16           HD1      TRP  16  -4.981   2.526  -1.965
  117    HE1  TRP  16           HE1      TRP  16  -5.231   5.090  -2.003
  118    HE3  TRP  16           HE3      TRP  16  -5.488   3.436   3.035
  119    HZ2  TRP  16           HZ2      TRP  16  -5.596   7.245  -0.155
  120    HZ3  TRP  16           HZ3      TRP  16  -5.785   5.752   3.868
  121    HH2  TRP  16           HH2      TRP  16  -5.839   7.655   2.279
  122    HA   PRO  17           HA       PRO  17  -4.113  -2.931  -2.054
  123   1HB   PRO  17          HB2       PRO  17  -4.313  -2.678  -4.773
  124   2HB   PRO  17          HB1       PRO  17  -5.622  -3.322  -3.762
  125   1HG   PRO  17          HG2       PRO  17  -5.296  -0.604  -4.928
  126   2HG   PRO  17          HG1       PRO  17  -6.757  -1.586  -4.745
  127   1HD   PRO  17          HD2       PRO  17  -6.120   0.483  -3.088
  128   2HD   PRO  17          HD1       PRO  17  -7.097  -0.913  -2.584
  129    H    CYS  18           HN       CYS  18  -1.922  -2.734  -1.808
  130    HA   CYS  18           HA       CYS  18  -0.334  -0.484  -2.450
  131   1HB   CYS  18          HB2       CYS  18  -0.004  -2.764  -1.087
  132   2HB   CYS  18          HB1       CYS  18   0.810  -3.243  -2.578
  133    H    CYS  19           HN       CYS  19   1.542  -0.601  -4.105
  134    HA   CYS  19           HA       CYS  19   0.377  -1.155  -6.767
  135   1HB   CYS  19          HB2       CYS  19   3.150  -0.101  -6.233
  136   2HB   CYS  19          HB1       CYS  19   2.046   0.316  -7.539
  137    H    SER  20           HN       SER  20   1.218  -2.725  -8.196
  138    HA   SER  20           HA       SER  20   2.227  -5.147  -7.332
  139   1HB   SER  20          HB2       SER  20   2.326  -5.547  -9.580
  140   2HB   SER  20          HB1       SER  20   1.655  -3.925  -9.724
  141    HG   SER  20           HG       SER  20   3.731  -4.524 -10.873
  142    H    GLY  21           HN       GLY  21   4.209  -5.906  -6.623
  143   1HA   GLY  21          HA2       GLY  21   6.627  -5.926  -6.543
  144   2HA   GLY  21          HA1       GLY  21   6.629  -4.247  -7.086
  145    H    LEU  22           HN       LEU  22   4.419  -5.198  -4.577
  146    HA   LEU  22           HA       LEU  22   6.224  -4.045  -2.480
  147   1HB   LEU  22          HB2       LEU  22   3.516  -3.152  -3.437
  148   2HB   LEU  22          HB1       LEU  22   3.978  -2.886  -1.755
  149    HG   LEU  22           HG       LEU  22   5.955  -2.131  -3.858
  150   1HD1  LEU  22          HD11      LEU  22   3.872  -0.116  -3.117
  151   2HD1  LEU  22          HD12      LEU  22   3.476  -1.289  -4.371
  152   3HD1  LEU  22          HD13      LEU  22   4.863  -0.219  -4.572
  153   1HD2  LEU  22          HD21      LEU  22   5.323  -1.566  -1.048
  154   2HD2  LEU  22          HD22      LEU  22   5.706  -0.116  -1.977
  155   3HD2  LEU  22          HD23      LEU  22   6.864  -1.443  -1.897
  156    H    LYS  23           HN       LYS  23   4.825  -4.215  -0.307
  157    HA   LYS  23           HA       LYS  23   3.191  -6.663  -0.138
  158   1HB   LYS  23          HB2       LYS  23   5.407  -7.606  -0.155
  159   2HB   LYS  23          HB1       LYS  23   6.002  -6.377   0.961
  160   1HG   LYS  23          HG2       LYS  23   5.678  -8.206   2.383
  161   2HG   LYS  23          HG1       LYS  23   4.161  -7.327   2.570
  162   1HD   LYS  23          HD2       LYS  23   3.596  -8.891   0.400
  163   2HD   LYS  23          HD1       LYS  23   4.674  -9.949   1.311
  164   1HE   LYS  23          HE2       LYS  23   2.366  -8.519   2.652
  165   2HE   LYS  23          HE1       LYS  23   2.173 -10.115   1.898
  166   1HZ   LYS  23          HZ1       LYS  23   4.112 -10.870   3.193
  167   2HZ   LYS  23          HZ2       LYS  23   2.812 -10.407   4.186
  168   3HZ   LYS  23          HZ3       LYS  23   4.148  -9.374   3.992
  169    H    CYS  24           HN       CYS  24   1.579  -5.382   0.872
  170    HA   CYS  24           HA       CYS  24   1.920  -3.374   2.816
  171   1HB   CYS  24          HB2       CYS  24  -0.153  -4.219   1.536
  172   2HB   CYS  24          HB1       CYS  24  -0.302  -5.427   2.812
  173    H    ASP  25           HN       ASP  25   3.474  -3.877   4.433
  174    HA   ASP  25           HA       ASP  25   3.361  -6.402   5.912
  175   1HB   ASP  25          HB2       ASP  25   4.875  -3.794   6.244
  176   2HB   ASP  25          HB1       ASP  25   5.182  -5.237   7.212
  177    H    GLY  26           HN       GLY  26   4.003  -4.617   8.427
  178   1HA   GLY  26          HA2       GLY  26   1.748  -5.027   9.945
  179   2HA   GLY  26          HA1       GLY  26   2.797  -3.632  10.203
  180    H    SER  27           HN       SER  27   2.372  -2.009   8.112
  181    HA   SER  27           HA       SER  27  -0.494  -1.765   7.499
  182   1HB   SER  27          HB2       SER  27  -0.456   0.550   8.658
  183   2HB   SER  27          HB1       SER  27  -0.571  -0.869   9.694
  184    HG   SER  27           HG       SER  27   1.429  -0.553  10.365
  185    H    GLU  28           HN       GLU  28   2.706  -0.229   7.532
  186    HA   GLU  28           HA       GLU  28   2.049   1.517   5.260
  187   1HB   GLU  28          HB2       GLU  28   4.703   0.876   6.589
  188   2HB   GLU  28          HB1       GLU  28   4.334   2.291   5.602
  189   1HG   GLU  28          HG2       GLU  28   3.477   3.381   7.373
  190   2HG   GLU  28          HG1       GLU  28   2.404   2.030   7.742
  191    H    CYS  29           HN       CYS  29   2.364   0.959   3.134
  192    HA   CYS  29           HA       CYS  29   2.929  -1.639   2.225
  193   1HB   CYS  29          HB2       CYS  29   2.849   1.115   1.149
  194   2HB   CYS  29          HB1       CYS  29   3.766  -0.033   0.174
  195    H    HIS  30           HN       HIS  30   4.818  -2.817   2.111
  196    HA   HIS  30           HA       HIS  30   7.395  -1.327   2.454
  197   1HB   HIS  30          HB2       HIS  30   6.264  -3.888   3.478
  198   2HB   HIS  30          HB1       HIS  30   8.003  -3.832   3.186
  199    HD1  HIS  30           HD1      HIS  30   8.728  -3.712   5.646
  200    HD2  HIS  30           HD2      HIS  30   6.048  -0.700   4.588
  201    HE1  HIS  30           HE1      HIS  30   8.672  -2.088   7.588
  202    HA   PRO  31           HA       PRO  31   8.671  -2.849  -1.474
  203   1HB   PRO  31          HB2       PRO  31  11.377  -3.005  -1.070
  204   2HB   PRO  31          HB1       PRO  31  10.518  -1.464  -1.275
  205   1HG   PRO  31          HG2       PRO  31  11.455  -2.790   1.224
  206   2HG   PRO  31          HG1       PRO  31  11.482  -1.076   0.776
  207   1HD   PRO  31          HD2       PRO  31   9.621  -2.144   2.447
  208   2HD   PRO  31          HD1       PRO  31   9.299  -0.742   1.402
  209    H    GLN  32           HN       GLN  32   8.690  -4.923  -2.300
  210    HA   GLN  32           HA       GLN  32   9.670  -7.116  -0.504
  211   1HB   GLN  32          HB2       GLN  32   7.151  -6.640  -1.513
  212   2HB   GLN  32          HB1       GLN  32   7.810  -7.776  -2.691
  213   1HG   GLN  32          HG2       GLN  32   8.614  -9.053  -0.506
  214   2HG   GLN  32          HG1       GLN  32   7.274  -8.171   0.227
  215   1HE2  GLN  32          HE21      GLN  32   7.195 -11.024  -0.062
  216   2HE2  GLN  32          HE22      GLN  32   5.986 -11.413  -1.187