*HEADER    TOXIN                                   07-APR-01   1IE6              
*TITLE     SOLUTION STRUCTURE OF IMPERATOXIN A                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: IMPERATOXIN A;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PEPTIDE NEUROTOXIN, RYANODINE RECEPTOR ACTIVATOR;           
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED.               
*SOURCE   4 THIS SEQUENCE OCCURS NATURALLY IN THE VENOM OF SCORPION              
*SOURCE   5 PANDINUS IMPERATOR.                                                  
*KEYWDS    TRIPLE STRANDED ANTIPARELLEL BETA-SHEET, INHIBITORY CYSTINE           
*KEYWDS   2 KNOT                                                                 
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    C.W.LEE, K.TAKEUCHI, H.TAKAHASHI, K.SATO, I.SHIMADA,                  
*AUTHOR   2 D.H.KIM, J.I.KIM                                                     
*REVDAT   1   10-JUN-03 1IE6    0                                                

!iptxa intraresidue noe

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assign (resid  23 and name he   )  (resid  23 and name hd#  ) 2.0 0.2 1.50
assign (resid  23 and name ha   )  (resid  23 and name hb#  ) 2.0 0.2 1.50
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assign (resid  24 and name hn   )  (resid  24 and name hg#  ) 2.0 0.2 2.50
assign (resid  24 and name hn   )  (resid  24 and name hd#  ) 2.0 0.2 4.00
assign (resid  24 and name ha   )  (resid  24 and name hb#  ) 2.0 0.2 1.50
assign (resid  24 and name ha   )  (resid  24 and name hg#  ) 2.0 0.2 4.00
assign (resid  24 and name he   )  (resid  24 and name hd#  ) 2.0 0.2 1.50
assign (resid  24 and name he   )  (resid  24 and name hb#  ) 2.0 0.2 4.00
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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 hb1  ) 2.0 0.2 3.00
assign (resid  30 and name hn   )  (resid  30 and name hb2  ) 2.0 0.2 0.70
assign (resid  30 and name hn   )  (resid  30 and name hg#  ) 2.0 0.2 4.00
assign (resid  30 and name hn   )  (resid  30 and name hd#  ) 2.0 0.2 4.00
assign (resid  30 and name ha   )  (resid  30 and name hg#  ) 2.0 0.2 1.50
assign (resid  30 and name ha   )  (resid  30 and name hb1  ) 2.0 0.2 0.50
assign (resid  30 and name ha   )  (resid  30 and name hb2  ) 2.0 0.2 3.00
assign (resid  30 and name he#  )  (resid  30 and name hz#  ) 2.0 0.2 2.50
assign (resid  30 and name hb1  )  (resid  30 and name hb2  ) 2.0 0.2 0.50
assign (resid  31 and name hn   )  (resid  31 and name ha   ) 2.0 0.2 1.50
assign (resid  31 and name hn   )  (resid  31 and name hb#  ) 2.0 0.2 1.50
assign (resid  31 and name ha   )  (resid  31 and name hg#  ) 2.0 0.2 2.50
assign (resid  31 and name ha   )  (resid  31 and name hb#  ) 2.0 0.2 1.50
assign (resid  31 and name ha   )  (resid  31 and name hd#  ) 2.0 0.2 4.00
assign (resid  31 and name he   )  (resid  31 and name hd#  ) 2.0 0.2 1.50
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assign (resid  32 and name hn   )  (resid  32 and name hb1  ) 2.0 0.2 3.00
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assign (resid  32 and name ha   )  (resid  32 and name hb1  ) 2.0 0.2 0.50
assign (resid  32 and name ha   )  (resid  32 and name hb2  ) 2.0 0.2 3.00
assign (resid  32 and name hb1  )  (resid  32 and name hb2  ) 2.0 0.2 0.50
assign (resid  33 and name hn   )  (resid  33 and name ha   ) 2.0 0.2 1.50
assign (resid  33 and name hn   )  (resid  33 and name hb#  ) 2.0 0.2 2.50
assign (resid  33 and name hn   )  (resid  33 and name hg#  ) 2.0 0.2 2.50
assign (resid  33 and name hn   )  (resid  33 and name hd#  ) 2.0 0.2 4.00
assign (resid  33 and name ha   )  (resid  33 and name he   ) 2.0 0.2 4.00
assign (resid  33 and name he   )  (resid  33 and name hd#  ) 2.0 0.2 1.50
assign (resid  33 and name he   )  (resid  33 and name hb#  ) 2.0 0.2 2.50
assign (resid  33 and name he   )  (resid  33 and name hg#  ) 2.0 0.2 1.50
assign (resid  33 and name ha   )  (resid  33 and name hb#  ) 2.0 0.2 1.50
assign (resid  33 and name hn   )  (resid  33 and name he   ) 2.0 0.2 4.00

!iptxa sequential noe

assign (resid   1 and name ha#  )  (resid   2 and name hb#  ) 2.0 0.2 3.50
assign (resid   1 and name ha#  )  (resid   2 and name hn   ) 2.0 0.2 2.50
assign (resid   2 and name ha   )  (resid   3 and name hb1  ) 2.0 0.2 4.00
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assign (resid   2 and name ha   )  (resid   3 and name hn   ) 2.0 0.2 0.70
assign (resid   2 and name hb#  )  (resid   3 and name hn   ) 2.0 0.2 4.00
assign (resid   3 and name hn   )  (resid   4 and name hn   ) 2.0 0.2 4.00
assign (resid   3 and name ha   )  (resid   4 and name hn   ) 2.0 0.2 1.50
assign (resid   3 and name hb1  )  (resid   4 and name hn   ) 2.0 0.2 3.00
assign (resid   3 and name hb2  )  (resid   4 and name hn   ) 2.0 0.2 1.50
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assign (resid   4 and name hb#  )  (resid   5 and name hd#  ) 2.0 0.2 5.00
assign (resid   4 and name hd#  )  (resid   5 and name hd#  ) 2.0 0.2 5.50
assign (resid   4 and name hb#  )  (resid   5 and name hd#  ) 2.0 0.2 3.50
assign (resid   5 and name ha   )  (resid   6 and name hb#  ) 2.0 0.2 4.00
assign (resid   5 and name hg#  )  (resid   6 and name hn   ) 2.0 0.2 5.00
assign (resid   5 and name hd#  )  (resid   6 and name hn   ) 2.0 0.2 5.00
assign (resid   5 and name ha   )  (resid   6 and name hn   ) 2.0 0.2 0.70
assign (resid   5 and name hb#  )  (resid   6 and name hn   ) 2.0 0.2 1.70
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assign (resid   6 and name he1  )  (resid   7 and name hg   ) 2.0 0.2 3.00
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assign (resid   7 and name hn   )  (resid   8 and name hn   ) 2.0 0.2 1.50
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assign (resid  10 and name ha   )  (resid  11 and name hn   ) 2.0 0.2 0.70
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assign (resid  10 and name ha   )  (resid  11 and name hb#  ) 2.0 0.2 4.00
assign (resid  11 and name hn   )  (resid  12 and name hn   ) 2.0 0.2 0.70
assign (resid  11 and name ha   )  (resid  12 and name hn   ) 2.0 0.2 3.00
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assign (resid  12 and name hn   )  (resid  13 and name hn   ) 2.0 0.2 4.00
assign (resid  12 and name ha   )  (resid  13 and name hn   ) 2.0 0.2 0.70
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assign (resid  13 and name hn   )  (resid  14 and name hn   ) 2.0 0.2 1.50
assign (resid  13 and name hb1  )  (resid  14 and name hn   ) 2.0 0.2 3.00 
assign (resid  13 and name hb2  )  (resid  14 and name hn   ) 2.0 0.2 0.70
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assign (resid  15 and name hb2  )  (resid  16 and name hn   ) 2.0 0.2 1.50
assign (resid  15 and name hb1  )  (resid  16 and name hn   ) 2.0 0.2 3.00
assign (resid  16 and name hn   )  (resid  17 and name hn   ) 2.0 0.2 4.00
assign (resid  16 and name ha   )  (resid  17 and name hn   ) 2.0 0.2 0.70
assign (resid  16 and name hb1  )  (resid  17 and name hn   ) 2.0 0.2 3.00
assign (resid  16 and name hb2  )  (resid  17 and name hn   ) 2.0 0.2 4.00
assign (resid  17 and name ha   )  (resid  18 and name hn   ) 2.0 0.2 3.00
assign (resid  17 and name hb1  )  (resid  18 and name hn   ) 2.0 0.2 3.00
assign (resid  17 and name hb2  )  (resid  18 and name hn   ) 2.0 0.2 1.50
assign (resid  17 and name hn   )  (resid  18 and name hn   ) 2.0 0.2 1.50
assign (resid  18 and name ha#  )  (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 1.50
assign (resid  19 and name ha   )  (resid  20 and name hn   ) 2.0 0.2 1.50
assign (resid  19 and name hn   )  (resid  20 and name hn   ) 2.0 0.2 1.50
assign (resid  19 and name hb#  )  (resid  20 and name hn   ) 2.0 0.2 4.00
assign (resid  20 and name hg#  )  (resid  21 and name hn   ) 2.0 0.2 5.00
assign (resid  20 and name hb#  )  (resid  21 and name hn   ) 2.0 0.2 5.00
assign (resid  20 and name ha   )  (resid  21 and name hn   ) 2.0 0.2 0.70
assign (resid  20 and name hn   )  (resid  21 and name hn   ) 2.0 0.2 4.00
assign (resid  21 and name hn   )  (resid  22 and name hn   ) 2.0 0.2 4.00
assign (resid  21 and name hb1  )  (resid  22 and name hn   ) 2.0 0.2 4.00
assign (resid  21 and name hb2  )  (resid  22 and name hn   ) 2.0 0.2 3.00
assign (resid  21 and name ha   )  (resid  22 and name hn   ) 2.0 0.2 0.70
assign (resid  22 and name ha   )  (resid  23 and name hn   ) 2.0 0.2 0.70
assign (resid  22 and name hn   )  (resid  23 and name hn   ) 2.0 0.2 3.00
assign (resid  22 and name hb#  )  (resid  23 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 ha   )  (resid  24 and name hn   ) 2.0 0.2 0.70
assign (resid  23 and name hn   )  (resid  24 and name hn   ) 2.0 0.2 3.00
assign (resid  23 and name hb#  )  (resid  24 and name hn   ) 2.0 0.2 2.50
assign (resid  24 and name ha   )  (resid  25 and name hn   ) 2.0 0.2 0.70
assign (resid  24 and name hb#  )  (resid  25 and name hn   ) 2.0 0.2 4.00
assign (resid  25 and name ha#  )  (resid  26 and name hg2# ) 2.0 0.2 6.50
assign (resid  25 and name ha#  )  (resid  26 and name hn   ) 2.0 0.2 1.70
assign (resid  26 and name ha   )  (resid  27 and name hn   ) 2.0 0.2 0.70
assign (resid  26 and name hn   )  (resid  27 and name hn   ) 2.0 0.2 1.50
assign (resid  26 and name hg2# )  (resid  27 and name hn   ) 2.0 0.2 4.50
assign (resid  26 and name hb   )  (resid  27 and name hn   ) 2.0 0.2 3.00
assign (resid  27 and name ha   )  (resid  28 and name hn   ) 2.0 0.2 0.70
assign (resid  27 and name hb#  )  (resid  28 and name hn   ) 2.0 0.2 4.00
assign (resid  28 and name hb#  )  (resid  29 and name ha   ) 2.0 0.2 4.50
assign (resid  28 and name ha   )  (resid  29 and name hn   ) 2.0 0.2 1.50
assign (resid  28 and name hb#  )  (resid  29 and name hn   ) 2.0 0.2 3.00
assign (resid  29 and name hn   )  (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 0.70
assign (resid  29 and name ha   )  (resid  30 and name hd#  ) 2.0 0.2 4.00
assign (resid  29 and name ha   )  (resid  30 and name hb#  ) 2.0 0.2 5.00
assign (resid  29 and name hb#  )  (resid  30 and name hn   ) 2.0 0.2 4.00
assign (resid  29 and name hg#  )  (resid  30 and name hn   ) 2.0 0.2 5.00
assign (resid  30 and name ha   )  (resid  31 and name hn   ) 2.0 0.2 1.50
assign (resid  30 and name hn   )  (resid  31 and name hn   ) 2.0 0.2 4.00
assign (resid  30 and name hb1  )  (resid  31 and name hn   ) 2.0 0.2 1.50
assign (resid  30 and name hb2  )  (resid  31 and name hn   ) 2.0 0.2 3.00
assign (resid  30 and name hg#  )  (resid  31 and name hn   ) 2.0 0.2 4.00
assign (resid  31 and name hn   )  (resid  32 and name hn   ) 2.0 0.2 4.00
assign (resid  31 and name ha   )  (resid  32 and name hn   ) 2.0 0.2 0.70
assign (resid  31 and name hb#  )  (resid  32 and name hn   ) 2.0 0.2 2.50
assign (resid  32 and name hn   )  (resid  33 and name he   ) 2.0 0.2 4.00
assign (resid  32 and name ha   )  (resid  33 and name hn   ) 2.0 0.2 0.70
assign (resid  32 and name hb1  )  (resid  33 and name hn   ) 2.0 0.2 3.00
assign (resid  32 and name hb2  )  (resid  33 and name hn   ) 2.0 0.2 3.00

!iptxa medium noe

assign (resid   1 and name ha#  )  (resid   3 and name hn   ) 2.0 0.2 4.00
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assign (resid   4 and name hd#  )  (resid   8 and name he#  ) 2.0 0.2 6.50
assign (resid   4 and name hb#  )  (resid   8 and name hd#  ) 2.0 0.2 5.00
assign (resid   4 and name ha   )  (resid   8 and name hg#  ) 2.0 0.2 5.00
assign (resid   5 and name hd#  )  (resid   8 and name hg#  ) 2.0 0.2 6.00
assign (resid   5 and name hd#  )  (resid   8 and name hd#  ) 2.0 0.2 5.00
assign (resid   6 and name ha   )  (resid   8 and name hn   ) 2.0 0.2 3.00
assign (resid  10 and name ha   )  (resid  12 and name hn   ) 2.0 0.2 3.00
assign (resid  10 and name hb#  )  (resid  12 and name hn   ) 2.0 0.2 2.50
assign (resid  10 and name ha   )  (resid  15 and name hb1  ) 2.0 0.2 4.00
assign (resid  10 and name ha   )  (resid  15 and name hb2  ) 2.0 0.2 3.00
assign (resid  11 and name hn   )  (resid  15 and name hb2  ) 2.0 0.2 3.00
assign (resid  11 and name hn   )  (resid  15 and name hb1  ) 2.0 0.2 3.00
assign (resid  11 and name ha   )  (resid  15 and name hb1  ) 2.0 0.2 4.00
assign (resid  11 and name ha   )  (resid  15 and name hb2  ) 2.0 0.2 4.00
assign (resid  12 and name ha   )  (resid  14 and name hn   ) 2.0 0.2 3.00
assign (resid  12 and name hb#  )  (resid  16 and name hn   ) 2.0 0.2 5.50
assign (resid  12 and name hn   )  (resid  15 and name hb1  ) 2.0 0.2 4.00
assign (resid  12 and name hn   )  (resid  15 and name hb2  ) 2.0 0.2 3.00
assign (resid  12 and name hb#  )  (resid  14 and name hn   ) 2.0 0.2 3.00
assign (resid  12 and name hb#  )  (resid  15 and name hn   ) 2.0 0.2 4.50
assign (resid  13 and name hb1  )  (resid  15 and name hn   ) 2.0 0.2 4.00
assign (resid  13 and name hb2  )  (resid  15 and name hn   ) 2.0 0.2 4.00
assign (resid  13 and name hn   )  (resid  15 and name hn   ) 2.0 0.2 4.00
assign (resid  13 and name ha   )  (resid  15 and name hn   ) 2.0 0.2 4.00
assign (resid  13 and name ha   )  (resid  16 and name hn   ) 2.0 0.2 4.00
assign (resid  14 and name hn   )  (resid  16 and name hn   ) 2.0 0.2 4.00
assign (resid  15 and name hn   )  (resid  19 and name ha   ) 2.0 0.2 4.00
assign (resid  16 and name ha   )  (resid  19 and name hn   ) 2.0 0.2 4.00
assign (resid  16 and name hn   )  (resid  19 and name hn   ) 2.0 0.2 3.00
assign (resid  16 and name hn   )  (resid  19 and name ha   ) 2.0 0.2 3.00
assign (resid  16 and name hb1  )  (resid  18 and name hn   ) 2.0 0.2 1.50
assign (resid  16 and name hb1  )  (resid  20 and name hn   ) 2.0 0.2 3.00
assign (resid  16 and name hb1  )  (resid  19 and name hn   ) 2.0 0.2 1.50
assign (resid  16 and name hb2  )  (resid  18 and name hn   ) 2.0 0.2 3.00
assign (resid  16 and name hb2  )  (resid  20 and name hn   ) 2.0 0.2 1.50
assign (resid  16 and name hb2  )  (resid  19 and name hn   ) 2.0 0.2 0.70
assign (resid  16 and name hb1  )  (resid  19 and name ha   ) 2.0 0.2 4.00
assign (resid  16 and name hb2  )  (resid  19 and name ha   ) 2.0 0.2 1.50
assign (resid  17 and name hn   )  (resid  19 and name hn   ) 2.0 0.2 4.00
assign (resid  17 and name ha   )  (resid  19 and name hn   ) 2.0 0.2 4.00
assign (resid  23 and name he   )  (resid  28 and name ha   ) 2.0 0.2 3.00
assign (resid  23 and name hd#  )  (resid  27 and name hn   ) 2.0 0.2 5.00
assign (resid  23 and name he   )  (resid  28 and name hb#  ) 2.0 0.2 5.50
assign (resid  23 and name hd#  )  (resid  28 and name hn   ) 2.0 0.2 5.00
assign (resid  23 and name hd#  )  (resid  29 and name hn   ) 2.0 0.2 5.00
assign (resid  24 and name hn   )  (resid  28 and name hb#  ) 2.0 0.2 4.50
assign (resid  25 and name hn   )  (resid  28 and name hb#  ) 2.0 0.2 4.50
assign (resid  25 and name ha#  )  (resid  27 and name hn   ) 2.0 0.2 5.00
assign (resid  27 and name ha   )  (resid  29 and name hn   ) 2.0 0.2 4.00
assign (resid  27 and name hb#  )  (resid  29 and name hn   ) 2.0 0.2 4.00
assign (resid  30 and name ha   )  (resid  33 and name he   ) 2.0 0.2 4.00
assign (resid  31 and name hb#  )  (resid  33 and name he   ) 2.0 0.2 4.00
assign (resid  31 and name hn   )  (resid  33 and name he   ) 2.0 0.2 3.00

!iptxa long noe

assign (resid   3 and name hn   )  (resid  17 and name ha   ) 2.0 0.2 4.00
assign (resid   3 and name ha   )  (resid  17 and name hb2  ) 2.0 0.2 5.00
assign (resid   3 and name hb1  )  (resid  16 and name ha   ) 2.0 0.2 4.00
assign (resid   3 and name hb1  )  (resid  17 and name hn   ) 2.0 0.2 3.00
assign (resid   3 and name hb2  )  (resid  17 and name hn   ) 2.0 0.2 1.50
assign (resid   3 and name hb1  )  (resid  17 and name ha   ) 2.0 0.2 3.00
assign (resid   3 and name hb2  )  (resid  17 and name ha   ) 2.0 0.2 1.50
assign (resid   4 and name hd#  )  (resid  32 and name hn   ) 2.0 0.2 5.50
assign (resid   4 and name hb#  )  (resid  32 and name hb2  ) 2.0 0.2 5.00
assign (resid   4 and name hd#  )  (resid  16 and name hn   ) 2.0 0.2 5.50
assign (resid   4 and name hb#  )  (resid  16 and name hn   ) 2.0 0.2 5.00
assign (resid   4 and name hg   )  (resid  16 and name ha   ) 2.0 0.2 3.00
assign (resid   4 and name hn   )  (resid  15 and name ha   ) 2.0 0.2 4.00
assign (resid   4 and name hd#  )  (resid  15 and name hn   ) 2.0 0.2 5.50
assign (resid   4 and name hd#  )  (resid  15 and name hb2  ) 2.0 0.2 3.00
assign (resid   4 and name hd#  )  (resid  12 and name hn   ) 2.0 0.2 5.50
assign (resid   4 and name hd#  )  (resid  11 and name hn   ) 2.0 0.2 5.50
assign (resid   4 and name hd#  )  (resid  15 and name hb1  ) 2.0 0.2 3.00
assign (resid   4 and name hn   )  (resid  16 and name hn   ) 2.0 0.2 4.00
assign (resid   4 and name hn   )  (resid  17 and name ha   ) 2.0 0.2 4.00
assign (resid   4 and name ha   )  (resid  17 and name hn   ) 2.0 0.2 4.00
assign (resid   4 and name hn   )  (resid  17 and name hn   ) 2.0 0.2 1.50
assign (resid   4 and name hn   )  (resid  16 and name ha   ) 2.0 0.2 1.50
assign (resid   4 and name hb#  )  (resid  17 and name hn   ) 2.0 0.2 4.00
assign (resid   4 and name hb#  )  (resid  16 and name ha   ) 2.0 0.2 2.50
assign (resid   4 and name hd#  )  (resid  10 and name ha   ) 2.0 0.2 5.50
assign (resid   4 and name hd#  )  (resid  16 and name ha   ) 2.0 0.2 4.50
assign (resid   5 and name ha   )  (resid  17 and name hb2  ) 2.0 0.2 4.00
assign (resid   5 and name ha   )  (resid  17 and name hn   ) 2.0 0.2 4.00
assign (resid   5 and name hg#  )  (resid  16 and name ha   ) 2.0 0.2 4.00
assign (resid   5 and name hd#  )  (resid  16 and name ha   ) 2.0 0.2 4.00
assign (resid   6 and name ha   )  (resid  33 and name hn   ) 2.0 0.2 4.00
assign (resid   6 and name ha   )  (resid  32 and name hb2  ) 2.0 0.2 1.50
assign (resid   6 and name ha   )  (resid  32 and name hb1  ) 2.0 0.2 3.00
assign (resid   6 and name he1  )  (resid  33 and name ha   ) 2.0 0.2 4.00
assign (resid   6 and name hd2  )  (resid  33 and name ha   ) 2.0 0.2 1.50
assign (resid   7 and name hn   )  (resid  32 and name ha   ) 2.0 0.2 4.00
assign (resid   7 and name ha   )  (resid  31 and name ha   ) 2.0 0.2 4.00
assign (resid   7 and name hb#  )  (resid  31 and name hd#  ) 2.0 0.2 6.00
assign (resid   7 and name hd#  )  (resid  33 and name ha   ) 2.0 0.2 5.50
assign (resid   7 and name hn   )  (resid  33 and name ha   ) 2.0 0.2 4.00
assign (resid   7 and name hn   )  (resid  32 and name hn   ) 2.0 0.2 3.00
assign (resid   7 and name hn   )  (resid  32 and name hb1  ) 2.0 0.2 3.00
assign (resid   7 and name ha   )  (resid  32 and name hn   ) 2.0 0.2 3.00
assign (resid   7 and name hn   )  (resid  32 and name hb2  ) 2.0 0.2 1.50
assign (resid   7 and name hn   )  (resid  31 and name hb#  ) 2.0 0.2 5.00
assign (resid   7 and name hd#  )  (resid  32 and name hn   ) 2.0 0.2 5.50
assign (resid   7 and name hd#  )  (resid  33 and name he   ) 2.0 0.2 5.50
assign (resid   7 and name ha   )  (resid  31 and name hb#  ) 2.0 0.2 4.00
assign (resid   7 and name ha   )  (resid  31 and name hg#  ) 2.0 0.2 4.00
assign (resid   7 and name ha   )  (resid  31 and name hd#  ) 2.0 0.2 4.00
assign (resid   8 and name hn   )  (resid  32 and name hb2  ) 2.0 0.2 1.50
assign (resid   8 and name hb#  )  (resid  32 and name hn   ) 2.0 0.2 4.00
assign (resid   8 and name hn   )  (resid  32 and name hn   ) 2.0 0.2 1.50
assign (resid   8 and name hn   )  (resid  32 and name hb1  ) 2.0 0.2 3.00
assign (resid   9 and name he   )  (resid  29 and name ha   ) 2.0 0.2 4.00
assign (resid   9 and name he   )  (resid  30 and name hn   ) 2.0 0.2 4.00
assign (resid   9 and name hd#  )  (resid  29 and name hb#  ) 2.0 0.2 6.00
assign (resid   9 and name hd#  )  (resid  29 and name hg#  ) 2.0 0.2 6.00
assign (resid   9 and name ha   )  (resid  32 and name hn   ) 2.0 0.2 1.50
assign (resid   9 and name hn   )  (resid  31 and name ha   ) 2.0 0.2 4.00
assign (resid   9 and name hn   )  (resid  32 and name hn   ) 2.0 0.2 3.00
assign (resid   9 and name ha   )  (resid  31 and name ha   ) 2.0 0.2 0.50
assign (resid   9 and name ha   )  (resid  31 and name hb#  ) 2.0 0.2 4.00
assign (resid  10 and name hb#  )  (resid  16 and name ha   ) 2.0 0.2 5.00
assign (resid  10 and name hn   )  (resid  30 and name hb#  ) 2.0 0.2 4.00
assign (resid  10 and name hb#  )  (resid  31 and name ha   ) 2.0 0.2 5.00
assign (resid  10 and name hb#  )  (resid  32 and name ha   ) 2.0 0.2 4.00
assign (resid  10 and name hn   )  (resid  32 and name hn   ) 2.0 0.2 4.00
assign (resid  10 and name hn   )  (resid  30 and name hn   ) 2.0 0.2 4.00
assign (resid  10 and name hn   )  (resid  31 and name ha   ) 2.0 0.2 1.50
assign (resid  12 and name ha   )  (resid  21 and name hb2  ) 2.0 0.2 4.00
assign (resid  12 and name ha   )  (resid  21 and name hb1  ) 2.0 0.2 4.00
assign (resid  12 and name hn   )  (resid  21 and name hb1  ) 2.0 0.2 4.00
assign (resid  12 and name hn   )  (resid  21 and name hb2  ) 2.0 0.2 4.00
assign (resid  13 and name hb1  )  (resid  19 and name ha   ) 2.0 0.2 4.00
assign (resid  13 and name ha   )  (resid  20 and name ha   ) 2.0 0.2 3.00
assign (resid  13 and name ha   )  (resid  20 and name hn   ) 2.0 0.2 4.00
assign (resid  13 and name hb2  )  (resid  21 and name hn   ) 2.0 0.2 4.00
assign (resid  13 and name hn   )  (resid  21 and name hn   ) 2.0 0.2 4.00
assign (resid  13 and name ha   )  (resid  21 and name hn   ) 2.0 0.2 1.50
assign (resid  13 and name hb1  )  (resid  21 and name hn   ) 2.0 0.2 4.00
assign (resid  13 and name hb1  )  (resid  28 and name ha   ) 2.0 0.2 4.00
assign (resid  13 and name hb2  )  (resid  28 and name ha   ) 2.0 0.2 4.00
assign (resid  13 and name ha   )  (resid  21 and name hb1  ) 2.0 0.2 0.50
assign (resid  13 and name ha   )  (resid  21 and name hb2  ) 2.0 0.2 1.50
assign (resid  13 and name hn   )  (resid  21 and name hb1  ) 2.0 0.2 3.00
assign (resid  13 and name hn   )  (resid  21 and name hb2  ) 2.0 0.2 4.00
assign (resid  14 and name hn   )  (resid  21 and name hn   ) 2.0 0.2 4.00
assign (resid  16 and name hb1  )  (resid  32 and name hb1  ) 2.0 0.2 3.00
assign (resid  16 and name hb2  )  (resid  32 and name hb1  ) 2.0 0.2 3.00
assign (resid  16 and name ha   )  (resid  32 and name hb1  ) 2.0 0.2 4.00
assign (resid  16 and name ha   )  (resid  32 and name hb2  ) 2.0 0.2 4.00
assign (resid  18 and name ha#  )  (resid  20 and name hn   ) 2.0 0.2 4.00
assign (resid  18 and name hn   )  (resid  21 and name ha   ) 2.0 0.2 4.00
assign (resid  20 and name ha   )  (resid  33 and name hn   ) 2.0 0.2 4.00
assign (resid  20 and name hb#  )  (resid  33 and name hn   ) 2.0 0.2 5.00
assign (resid  20 and name hg#  )  (resid  33 and name hn   ) 2.0 0.2 5.00
assign (resid  20 and name hn   )  (resid  33 and name hn   ) 2.0 0.2 4.00
assign (resid  21 and name ha   )  (resid  33 and name hn   ) 2.0 0.2 1.50
assign (resid  21 and name hn   )  (resid  33 and name hn   ) 2.0 0.2 4.00
assign (resid  21 and name hn   )  (resid  32 and name ha   ) 2.0 0.2 4.00
assign (resid  21 and name ha   )  (resid  31 and name hn   ) 2.0 0.2 4.00
assign (resid  21 and name ha   )  (resid  32 and name ha   ) 2.0 0.2 1.50
assign (resid  22 and name ha   )  (resid  31 and name hn   ) 2.0 0.2 4.00
assign (resid  22 and name hb#  )  (resid  33 and name he   ) 2.0 0.2 5.00
assign (resid  22 and name hn   )  (resid  33 and name hb#  ) 2.0 0.2 5.00
assign (resid  22 and name hb#  )  (resid  31 and name hn   ) 2.0 0.2 5.00
assign (resid  22 and name hn   )  (resid  33 and name he   ) 2.0 0.2 3.00
assign (resid  22 and name hn   )  (resid  31 and name hn   ) 2.0 0.2 1.50
assign (resid  22 and name hn   )  (resid  32 and name ha   ) 2.0 0.2 1.50
assign (resid  22 and name ha   )  (resid  30 and name hg#  ) 2.0 0.2 5.00
assign (resid  23 and name ha   )  (resid  30 and name hn   ) 2.0 0.2 3.00
assign (resid  23 and name hd#  )  (resid  28 and name hb#  ) 2.0 0.2 6.50
assign (resid  23 and name he   )  (resid  27 and name hd2# ) 2.0 0.2 5.00
assign (resid  23 and name he   )  (resid  30 and name hg#  ) 2.0 0.2 5.00
assign (resid  23 and name he   )  (resid  30 and name hd#  ) 2.0 0.2 5.00
assign (resid  23 and name ha   )  (resid  33 and name he   ) 2.0 0.2 4.00
assign (resid  23 and name hn   )  (resid  31 and name hn   ) 2.0 0.2 4.00
assign (resid  23 and name hd#  )  (resid  30 and name hn   ) 2.0 0.2 5.00
assign (resid  23 and name hn   )  (resid  30 and name ha   ) 2.0 0.2 4.00
assign (resid  23 and name ha   )  (resid  31 and name hn   ) 2.0 0.2 3.00
assign (resid  23 and name hn   )  (resid  30 and name hg#  ) 2.0 0.2 4.00
assign (resid  23 and name ha   )  (resid  30 and name ha   ) 2.0 0.2 1.50
assign (resid  23 and name ha   )  (resid  30 and name hg#  ) 2.0 0.2 4.00
assign (resid  24 and name hn   )  (resid  30 and name ha   ) 2.0 0.2 3.00


!iptxa hydrogenbond noe

assign (resid   8 and name o   )  (resid  32 and name hn  ) 2.00 0.20 0.30
assign (resid   8 and name o   )  (resid  32 and name n   ) 2.70 0.40 0.60
assign (resid  30 and name o   )  (resid  10 and name hn  ) 2.00 0.20 0.30
assign (resid  30 and name o   )  (resid  10 and name n   ) 2.70 0.40 0.60
assign (resid  33 and name o   )  (resid  20 and name hn  ) 2.00 0.20 0.30
assign (resid  33 and name o   )  (resid  20 and name n   ) 2.70 0.40 0.60
assign (resid  20 and name o   )  (resid  33 and name hn  ) 2.00 0.20 0.30
assign (resid  20 and name o   )  (resid  33 and name n   ) 2.70 0.40 0.60
assign (resid  31 and name o   )  (resid  22 and name hn  ) 2.00 0.20 0.30
assign (resid  31 and name o   )  (resid  22 and name n   ) 2.70 0.40 0.60
assign (resid  22 and name o   )  (resid  31 and name hn  ) 2.00 0.20 0.30
assign (resid  22 and name o   )  (resid  31 and name n   ) 2.70 0.40 0.60


!iptxa s-sbond 

assign (resid   3 and name sg  )  (resid  17 and name sg  ) 2.02 0.02 0.02
assign (resid   3 and name cb  )  (resid  17 and name sg  ) 2.99 0.50 0.50 
assign (resid   3 and name sg  )  (resid  17 and name cb  ) 2.99 0.50 0.50 
assign (resid  10 and name sg  )  (resid  21 and name sg  ) 2.02 0.02 0.02 
assign (resid  10 and name cb  )  (resid  21 and name sg  ) 2.99 0.50 0.50 
assign (resid  10 and name sg  )  (resid  21 and name cb  ) 2.99 0.50 0.50 
assign (resid  16 and name sg  )  (resid  32 and name sg  ) 2.02 0.02 0.02 
assign (resid  16 and name cb  )  (resid  32 and name sg  ) 2.99 0.50 0.50 
assign (resid  16 and name sg  )  (resid  32 and name cb  ) 2.99 0.50 0.50 

!iptxa
{dihedral}

restraints
  dihedral

  reset

assign (resid   5 and name c   )  (resid   6 and name n   )
       (resid   6 and name ca  )  (resid   6 and name c   ) 1  -65.0 25.0 2
assign (resid   6 and name c   )  (resid   7 and name n   )
       (resid   7 and name ca  )  (resid   7 and name c   ) 1 -120.0 40.0 2
assign (resid  11 and name c   )  (resid  12 and name n   )
       (resid  12 and name ca  )  (resid  12 and name c   ) 1 -120.0 40.0 2
assign (resid  15 and name c   )  (resid  16 and name n   )
       (resid  16 and name ca  )  (resid  16 and name c   ) 1 -120.0 40.0 2
assign (resid  23 and name c   )  (resid  24 and name n   )
       (resid  24 and name ca  )  (resid  24 and name c   ) 1 -120.0 40.0 2
assign (resid   8 and name c   )  (resid   9 and name n   )
       (resid   9 and name ca  )  (resid   9 and name c   ) 1  -65.0 25.0 2
assign (resid   9 and name c   )  (resid  10 and name n   )
       (resid  10 and name ca  )  (resid  10 and name c   ) 1 -120.0 40.0 2
assign (resid  10 and name c   )  (resid  11 and name n   )
       (resid  11 and name ca  )  (resid  11 and name c   ) 1 -120.0 40.0 2
assign (resid  12 and name c   )  (resid  13 and name n   )
       (resid  13 and name ca  )  (resid  13 and name c   ) 1  -65.0 25.0 2
assign (resid  13 and name c   )  (resid  14 and name n   )
       (resid  14 and name ca  )  (resid  14 and name c   ) 1  -65.0 25.0 2
assign (resid  16 and name c   )  (resid  17 and name n   )
       (resid  17 and name ca  )  (resid  17 and name c   ) 1 -120.0 40.0 2
assign (resid  19 and name c   )  (resid  20 and name n   )
       (resid  20 and name ca  )  (resid  20 and name c   ) 1 -120.0 40.0 2
assign (resid  20 and name c   )  (resid  21 and name n   )
       (resid  21 and name ca  )  (resid  21 and name c   ) 1 -120.0 40.0 2
assign (resid  21 and name c   )  (resid  22 and name n   )
       (resid  22 and name ca  )  (resid  22 and name c   ) 1 -120.0 40.0 2
assign (resid  30 and name c   )  (resid  31 and name n   )
       (resid  31 and name ca  )  (resid  31 and name c   ) 1 -120.0 40.0 2
assign (resid  22 and name c   )  (resid  23 and name n   )
       (resid  23 and name ca  )  (resid  23 and name c   ) 1 -120.0 40.0 2
assign (resid  32 and name c   )  (resid  33 and name n   )
       (resid  33 and name ca  )  (resid  33 and name c   ) 1 -120.0 40.0 2
assign (resid   3 and name n   )  (resid   3 and name ca  )
       (resid   3 and name cb  )  (resid   3 and name sg  ) 1   60.0 60.0 2
assign (resid  13 and name n   )  (resid  13 and name ca  )
       (resid  13 and name cb  )  (resid  13 and name cg  ) 1  -60.0 60.0 2
assign (resid  15 and name n   )  (resid  15 and name ca  )
       (resid  15 and name cb  )  (resid  15 and name cg  ) 1  -60.0 60.0 2
assign (resid  16 and name n   )  (resid  16 and name ca  )
       (resid  16 and name cb  )  (resid  16 and name sg  ) 1  -60.0 60.0 2
assign (resid  17 and name n   )  (resid  17 and name ca  )
       (resid  17 and name cb  )  (resid  17 and name sg  ) 1  -60.0 60.0 2
assign (resid  21 and name n   )  (resid  21 and name ca  )
       (resid  21 and name cb  )  (resid  21 and name sg  ) 1  180.0 60.0 2
assign (resid  30 and name n   )  (resid  30 and name ca  )
       (resid  30 and name cb  )  (resid  30 and name cg  ) 1  -60.0 60.0 2
assign (resid  32 and name n   )  (resid  32 and name ca  ) 
       (resid  32 and name cb  )  (resid  32 and name sg  ) 1  -60.0 60.0 2
end 

set message=on echo=on end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1HT       GLY   1  -9.961  12.301  -4.531
    2   2H    GLY   1          2HT       GLY   1 -10.852  10.856  -4.591
    3   3H    GLY   1          3HT       GLY   1 -10.878  11.928  -5.908
    4   1HA   GLY   1          2HA       GLY   1  -9.303   9.766  -5.757
    5   2HA   GLY   1          1HA       GLY   1  -8.954  11.184  -6.746
    6    H    ASP   2           H        ASP   2  -7.691   9.209  -4.386
    7    HA   ASP   2           HA       ASP   2  -5.381  10.932  -3.979
    8   1HB   ASP   2          2HB       ASP   2  -6.882  12.062  -2.475
    9   2HB   ASP   2          1HB       ASP   2  -7.450  10.533  -1.800
   10    H    CYS   3           H        CYS   3  -3.754   9.439  -3.941
   11    HA   CYS   3           HA       CYS   3  -4.295   6.647  -3.194
   12   1HB   CYS   3          2HB       CYS   3  -1.956   6.368  -3.978
   13   2HB   CYS   3          1HB       CYS   3  -2.919   7.281  -5.144
   14    H    LEU   4           H        LEU   4  -3.124   5.536  -1.506
   15    HA   LEU   4           HA       LEU   4  -2.594   7.210   0.858
   16   1HB   LEU   4          2HB       LEU   4  -2.298   4.211   0.503
   17   2HB   LEU   4          1HB       LEU   4  -2.595   5.086   2.002
   18    HG   LEU   4           HG       LEU   4  -4.534   5.191  -0.311
   19   1HD1  LEU   4          1HD1      LEU   4  -5.787   3.394   0.715
   20   2HD1  LEU   4          2HD1      LEU   4  -4.659   3.316   2.068
   21   3HD1  LEU   4          3HD1      LEU   4  -4.140   2.819   0.458
   22   1HD2  LEU   4          1HD2      LEU   4  -5.137   5.457   2.624
   23   2HD2  LEU   4          2HD2      LEU   4  -6.017   6.122   1.247
   24   3HD2  LEU   4          3HD2      LEU   4  -4.474   6.827   1.733
   25    HA   PRO   5           HA       PRO   5   1.794   7.337   0.620
   26   1HB   PRO   5          2HB       PRO   5   2.542   6.623   3.160
   27   2HB   PRO   5          1HB       PRO   5   1.806   8.196   2.779
   28   1HG   PRO   5          2HG       PRO   5   0.486   5.698   3.761
   29   2HG   PRO   5          1HG       PRO   5   0.332   7.349   4.388
   30   1HD   PRO   5          2HD       PRO   5  -1.532   6.358   2.808
   31   2HD   PRO   5          1HD       PRO   5  -0.976   8.034   2.572
   32    H    HIS   6           H        HIS   6   3.815   5.865   1.219
   33    HA   HIS   6           HA       HIS   6   3.203   3.186   0.309
   34   1HB   HIS   6          2HB       HIS   6   4.942   4.298  -0.866
   35   2HB   HIS   6          1HB       HIS   6   5.674   4.870   0.631
   36    HD1  HIS   6           1HD      HIS   6   7.928   3.741   0.526
   37    HD2  HIS   6           2HD      HIS   6   4.794   1.067  -0.108
   38    HE1  HIS   6           1HE      HIS   6   8.956   1.427   0.496
   39    H    LEU   7           H        LEU   7   2.590   3.987   3.089
   40    HA   LEU   7           HA       LEU   7   3.741   1.701   4.392
   41   1HB   LEU   7          2HB       LEU   7   4.869   4.352   4.604
   42   2HB   LEU   7          1HB       LEU   7   4.395   3.738   6.188
   43    HG   LEU   7           HG       LEU   7   6.035   2.154   4.202
   44   1HD1  LEU   7          1HD1      LEU   7   6.834   4.397   5.688
   45   2HD1  LEU   7          2HD1      LEU   7   7.886   3.214   4.911
   46   3HD1  LEU   7          3HD1      LEU   7   7.420   3.006   6.599
   47   1HD2  LEU   7          1HD2      LEU   7   5.571   1.785   7.175
   48   2HD2  LEU   7          2HD2      LEU   7   6.420   0.682   6.092
   49   3HD2  LEU   7          3HD2      LEU   7   4.681   0.920   5.923
   50    H    LYS   8           H        LYS   8   1.061   3.387   3.909
   51    HA   LYS   8           HA       LYS   8   0.129   3.146   6.750
   52   1HB   LYS   8          2HB       LYS   8   0.147   5.402   5.531
   53   2HB   LYS   8          1HB       LYS   8  -1.150   4.752   4.527
   54   1HG   LYS   8          2HG       LYS   8  -2.676   4.778   6.249
   55   2HG   LYS   8          1HG       LYS   8  -1.448   4.468   7.478
   56   1HD   LYS   8          2HD       LYS   8  -1.731   7.089   5.982
   57   2HD   LYS   8          1HD       LYS   8  -2.398   6.791   7.589
   58   1HE   LYS   8          2HE       LYS   8  -0.043   6.169   8.335
   59   2HE   LYS   8          1HE       LYS   8   0.525   6.805   6.779
   60   1HZ   LYS   8          1HZ       LYS   8  -0.050   8.913   7.312
   61   2HZ   LYS   8          2HZ       LYS   8   0.179   8.353   8.899
   62   3HZ   LYS   8          3HZ       LYS   8  -1.387   8.443   8.243
   63    H    ARG   9           H        ARG   9  -1.964   2.192   7.080
   64    HA   ARG   9           HA       ARG   9  -2.560  -0.183   5.775
   65   1HB   ARG   9          2HB       ARG   9  -3.493   1.009   7.912
   66   2HB   ARG   9          1HB       ARG   9  -4.723   1.641   6.818
   67   1HG   ARG   9          2HG       ARG   9  -4.392  -1.170   6.322
   68   2HG   ARG   9          1HG       ARG   9  -4.654  -0.915   8.048
   69   1HD   ARG   9          2HD       ARG   9  -6.736   0.189   7.680
   70   2HD   ARG   9          1HD       ARG   9  -6.402   0.397   5.948
   71    HE   ARG   9           HE       ARG   9  -6.226  -2.361   6.419
   72   1HH1  ARG   9          1HH1      ARG   9  -8.569   0.013   7.234
   73   2HH1  ARG   9          2HH1      ARG   9  -9.922  -0.963   6.767
   74   1HH2  ARG   9          1HH2      ARG   9  -7.969  -3.585   5.605
   75   2HH2  ARG   9          2HH2      ARG   9  -9.582  -3.002   5.843
   76    H    CYS  10           H        CYS  10  -3.779  -0.787   3.979
   77    HA   CYS  10           HA       CYS  10  -5.015   1.422   2.364
   78   1HB   CYS  10          2HB       CYS  10  -4.188  -0.175   0.403
   79   2HB   CYS  10          1HB       CYS  10  -3.101   1.012   1.113
   80    H    LYS  11           H        LYS  11  -7.099   0.978   1.782
   81    HA   LYS  11           HA       LYS  11  -8.329  -1.558   2.586
   82   1HB   LYS  11          2HB       LYS  11  -9.245   1.018   1.292
   83   2HB   LYS  11          1HB       LYS  11 -10.349  -0.327   1.576
   84   1HG   LYS  11          2HG       LYS  11  -9.367  -0.237   4.018
   85   2HG   LYS  11          1HG       LYS  11  -8.941   1.416   3.570
   86   1HD   LYS  11          2HD       LYS  11 -11.644   0.790   2.728
   87   2HD   LYS  11          1HD       LYS  11 -11.450   0.515   4.460
   88   1HE   LYS  11          2HE       LYS  11 -11.050   2.747   4.905
   89   2HE   LYS  11          1HE       LYS  11 -10.273   3.024   3.333
   90   1HZ   LYS  11          1HZ       LYS  11 -13.117   2.982   4.014
   91   2HZ   LYS  11          2HZ       LYS  11 -12.669   2.343   2.504
   92   3HZ   LYS  11          3HZ       LYS  11 -12.287   3.953   2.896
   93    H    ALA  12           H        ALA  12  -6.722  -0.511  -0.222
   94    HA   ALA  12           HA       ALA  12  -7.805  -2.820  -1.739
   95   1HB   ALA  12          1HB       ALA  12  -9.120  -1.537  -3.051
   96   2HB   ALA  12          2HB       ALA  12  -7.746  -0.510  -3.460
   97   3HB   ALA  12          3HB       ALA  12  -8.723  -0.150  -2.038
   98    H    ASP  13           H        ASP  13  -6.422  -3.416  -3.523
   99    HA   ASP  13           HA       ASP  13  -3.650  -3.148  -3.153
  100   1HB   ASP  13          2HB       ASP  13  -5.220  -3.661  -5.697
  101   2HB   ASP  13          1HB       ASP  13  -3.543  -4.135  -5.405
  102    H    ASN  14           H        ASN  14  -5.768  -1.421  -5.458
  103    HA   ASN  14           HA       ASN  14  -3.551   0.385  -6.207
  104   1HB   ASN  14          2HB       ASN  14  -5.520  -0.751  -7.610
  105   2HB   ASN  14          1HB       ASN  14  -6.377   0.713  -7.127
  106   1HD2  ASN  14          1HD2      ASN  14  -4.947  -0.305  -9.775
  107   2HD2  ASN  14          2HD2      ASN  14  -4.079   1.070 -10.264
  108    H    ASP  15           H        ASP  15  -4.261   0.714  -3.468
  109    HA   ASP  15           HA       ASP  15  -5.850   3.243  -3.490
  110   1HB   ASP  15          2HB       ASP  15  -5.817   0.925  -1.883
  111   2HB   ASP  15          1HB       ASP  15  -5.351   2.281  -0.869
  112    H    CYS  16           H        CYS  16  -2.760   1.819  -2.776
  113    HA   CYS  16           HA       CYS  16  -1.676   4.064  -1.224
  114   1HB   CYS  16          2HB       CYS  16  -0.434   1.721  -2.722
  115   2HB   CYS  16          1HB       CYS  16   0.412   2.744  -1.551
  116    H    CYS  17           H        CYS  17   0.333   5.188  -2.126
  117    HA   CYS  17           HA       CYS  17  -0.260   6.310  -4.773
  118   1HB   CYS  17          2HB       CYS  17   1.929   6.754  -2.714
  119   2HB   CYS  17          1HB       CYS  17   1.716   7.737  -4.167
  120    H    GLY  18           H        GLY  18   1.482   3.643  -3.569
  121   1HA   GLY  18          2HA       GLY  18   3.405   3.682  -5.846
  122   2HA   GLY  18          1HA       GLY  18   3.494   2.604  -4.450
  123    H    LYS  19           H        LYS  19   0.332   2.587  -5.079
  124    HA   LYS  19           HA       LYS  19  -1.117   1.103  -6.195
  125   1HB   LYS  19          2HB       LYS  19   0.764   2.090  -8.025
  126   2HB   LYS  19          1HB       LYS  19   0.776   0.346  -8.289
  127   1HG   LYS  19          2HG       LYS  19  -1.802   0.522  -8.299
  128   2HG   LYS  19          1HG       LYS  19  -1.549   2.257  -8.501
  129   1HD   LYS  19          2HD       LYS  19   0.197   1.117 -10.347
  130   2HD   LYS  19          1HD       LYS  19  -1.244   0.105 -10.454
  131   1HE   LYS  19          2HE       LYS  19  -2.180   1.729 -11.733
  132   2HE   LYS  19          1HE       LYS  19  -2.186   2.772 -10.297
  133   1HZ   LYS  19          1HZ       LYS  19  -0.821   3.471 -12.386
  134   2HZ   LYS  19          2HZ       LYS  19   0.322   2.371 -11.777
  135   3HZ   LYS  19          3HZ       LYS  19  -0.170   3.695 -10.837
  136    H    LYS  20           H        LYS  20   1.200   0.265  -4.337
  137    HA   LYS  20           HA       LYS  20   1.018  -2.661  -4.927
  138   1HB   LYS  20          2HB       LYS  20   3.266  -1.069  -5.235
  139   2HB   LYS  20          1HB       LYS  20   3.480  -1.732  -3.613
  140   1HG   LYS  20          2HG       LYS  20   2.718  -3.978  -4.865
  141   2HG   LYS  20          1HG       LYS  20   3.429  -3.135  -6.242
  142   1HD   LYS  20          2HD       LYS  20   5.232  -2.732  -4.124
  143   2HD   LYS  20          1HD       LYS  20   4.757  -4.428  -4.013
  144   1HE   LYS  20          2HE       LYS  20   5.727  -3.076  -6.558
  145   2HE   LYS  20          1HE       LYS  20   6.713  -4.134  -5.528
  146   1HZ   LYS  20          1HZ       LYS  20   5.833  -5.707  -6.888
  147   2HZ   LYS  20          2HZ       LYS  20   4.438  -4.803  -7.235
  148   3HZ   LYS  20          3HZ       LYS  20   4.568  -5.637  -5.760
  149    H    CYS  21           H        CYS  21  -0.813  -2.101  -3.263
  150    HA   CYS  21           HA       CYS  21   0.017  -1.510  -0.539
  151   1HB   CYS  21          2HB       CYS  21  -2.173  -0.869  -1.156
  152   2HB   CYS  21          1HB       CYS  21  -2.471  -2.378  -2.004
  153    H    LYS  22           H        LYS  22   0.595  -3.058   1.009
  154    HA   LYS  22           HA       LYS  22   0.988  -5.825   0.153
  155   1HB   LYS  22          2HB       LYS  22   1.986  -4.014   2.089
  156   2HB   LYS  22          1HB       LYS  22   1.292  -5.365   2.986
  157   1HG   LYS  22          2HG       LYS  22   2.908  -6.086   0.605
  158   2HG   LYS  22          1HG       LYS  22   3.803  -5.410   1.966
  159   1HD   LYS  22          2HD       LYS  22   3.320  -7.186   3.348
  160   2HD   LYS  22          1HD       LYS  22   1.763  -7.496   2.579
  161   1HE   LYS  22          2HE       LYS  22   3.289  -9.319   2.004
  162   2HE   LYS  22          1HE       LYS  22   3.026  -8.337   0.550
  163   1HZ   LYS  22          1HZ       LYS  22   5.449  -8.885   1.499
  164   2HZ   LYS  22          2HZ       LYS  22   5.135  -7.443   2.341
  165   3HZ   LYS  22          3HZ       LYS  22   5.092  -7.466   0.642
  166    H    ARG  23           H        ARG  23   0.136  -7.627   1.531
  167    HA   ARG  23           HA       ARG  23  -2.377  -7.174   3.008
  168   1HB   ARG  23          2HB       ARG  23  -3.782  -8.191   1.457
  169   2HB   ARG  23          1HB       ARG  23  -2.719  -7.240   0.430
  170   1HG   ARG  23          2HG       ARG  23  -2.535 -10.211   1.011
  171   2HG   ARG  23          1HG       ARG  23  -2.877  -9.450  -0.542
  172   1HD   ARG  23          2HD       ARG  23  -0.259  -9.269   0.994
  173   2HD   ARG  23          1HD       ARG  23  -0.533 -10.148  -0.514
  174    HE   ARG  23           HE       ARG  23  -1.399  -7.417  -0.794
  175   1HH1  ARG  23          1HH1      ARG  23   1.343  -9.518  -0.747
  176   2HH1  ARG  23          2HH1      ARG  23   2.349  -8.435  -1.650
  177   1HH2  ARG  23          1HH2      ARG  23  -0.077  -5.970  -1.912
  178   2HH2  ARG  23          2HH2      ARG  23   1.547  -6.427  -2.310
  179    H    ARG  24           H        ARG  24  -3.345  -9.597   3.330
  180    HA   ARG  24           HA       ARG  24  -1.066 -11.165   4.442
  181   1HB   ARG  24          2HB       ARG  24  -2.703 -12.081   5.912
  182   2HB   ARG  24          1HB       ARG  24  -3.163 -10.388   5.736
  183   1HG   ARG  24          2HG       ARG  24  -5.193 -11.076   5.050
  184   2HG   ARG  24          1HG       ARG  24  -4.427 -11.745   3.609
  185   1HD   ARG  24          2HD       ARG  24  -5.173 -13.765   4.363
  186   2HD   ARG  24          1HD       ARG  24  -3.874 -13.650   5.568
  187    HE   ARG  24           HE       ARG  24  -6.221 -12.134   6.360
  188   1HH1  ARG  24          1HH1      ARG  24  -7.194 -14.942   5.720
  189   2HH1  ARG  24          2HH1      ARG  24  -7.040 -15.715   7.263
  190   1HH2  ARG  24          1HH2      ARG  24  -4.977 -13.259   8.581
  191   2HH2  ARG  24          2HH2      ARG  24  -5.785 -14.761   8.882
  192    H    GLY  25           H        GLY  25  -1.061 -11.422   1.723
  193   1HA   GLY  25          2HA       GLY  25  -1.131 -14.145   1.186
  194   2HA   GLY  25          1HA       GLY  25  -2.758 -13.596   0.790
  195    H    THR  26           H        THR  26  -3.076 -12.573  -1.168
  196    HA   THR  26           HA       THR  26  -0.675 -11.818  -2.775
  197    HB   THR  26           HB       THR  26  -2.249 -12.716  -4.662
  198    HG1  THR  26           1HG      THR  26  -4.012 -13.058  -3.257
  199   1HG2  THR  26          1HG2      THR  26  -1.427 -15.155  -3.630
  200   2HG2  THR  26          2HG2      THR  26  -0.320 -13.995  -2.894
  201   3HG2  THR  26          3HG2      THR  26  -0.461 -14.088  -4.649
  202    H    ASN  27           H        ASN  27  -1.158  -9.625  -2.151
  203    HA   ASN  27           HA       ASN  27  -2.125  -7.496  -2.457
  204   1HB   ASN  27          2HB       ASN  27  -3.556  -8.796  -4.765
  205   2HB   ASN  27          1HB       ASN  27  -3.026  -7.121  -4.614
  206   1HD2  ASN  27          1HD2      ASN  27  -1.012  -6.631  -5.519
  207   2HD2  ASN  27          2HD2      ASN  27   0.155  -7.781  -5.963
  208    H    ALA  28           H        ALA  28  -3.696  -6.835  -1.070
  209    HA   ALA  28           HA       ALA  28  -6.463  -7.663  -1.513
  210   1HB   ALA  28          1HB       ALA  28  -6.573  -9.229   0.113
  211   2HB   ALA  28          2HB       ALA  28  -5.799  -8.147   1.271
  212   3HB   ALA  28          3HB       ALA  28  -4.813  -9.146   0.203
  213    H    GLU  29           H        GLU  29  -4.542  -6.396   1.199
  214    HA   GLU  29           HA       GLU  29  -4.959  -3.674   1.019
  215   1HB   GLU  29          2HB       GLU  29  -7.091  -3.435   2.438
  216   2HB   GLU  29          1HB       GLU  29  -7.294  -3.886   0.751
  217   1HG   GLU  29          2HG       GLU  29  -7.037  -6.348   1.939
  218   2HG   GLU  29          1HG       GLU  29  -7.854  -5.434   3.203
  219    H    LYS  30           H        LYS  30  -2.965  -4.875   2.412
  220    HA   LYS  30           HA       LYS  30  -3.735  -4.843   5.289
  221   1HB   LYS  30          2HB       LYS  30  -1.487  -5.910   3.698
  222   2HB   LYS  30          1HB       LYS  30  -1.098  -5.302   5.297
  223   1HG   LYS  30          2HG       LYS  30  -1.795  -7.803   5.074
  224   2HG   LYS  30          1HG       LYS  30  -2.466  -6.845   6.392
  225   1HD   LYS  30          2HD       LYS  30  -4.060  -6.656   3.943
  226   2HD   LYS  30          1HD       LYS  30  -3.933  -8.306   4.544
  227   1HE   LYS  30          2HE       LYS  30  -4.471  -7.197   6.879
  228   2HE   LYS  30          1HE       LYS  30  -5.156  -5.903   5.874
  229   1HZ   LYS  30          1HZ       LYS  30  -5.783  -8.802   5.663
  230   2HZ   LYS  30          2HZ       LYS  30  -6.390  -7.592   4.634
  231   3HZ   LYS  30          3HZ       LYS  30  -6.816  -7.605   6.278
  232    H    ARG  31           H        ARG  31  -0.826  -3.717   3.626
  233    HA   ARG  31           HA       ARG  31  -1.284  -0.925   4.532
  234   1HB   ARG  31          2HB       ARG  31   0.399  -2.919   5.848
  235   2HB   ARG  31          1HB       ARG  31   1.322  -1.493   5.372
  236   1HG   ARG  31          2HG       ARG  31  -0.769  -0.216   6.401
  237   2HG   ARG  31          1HG       ARG  31  -0.953  -1.720   7.303
  238   1HD   ARG  31          2HD       ARG  31   1.331  -1.539   8.163
  239   2HD   ARG  31          1HD       ARG  31   1.607  -0.086   7.182
  240    HE   ARG  31           HE       ARG  31   0.283   1.146   8.713
  241   1HH1  ARG  31          1HH1      ARG  31   1.160  -0.908  10.762
  242   2HH1  ARG  31          2HH1      ARG  31  -0.355  -1.360  11.466
  243   1HH2  ARG  31          1HH2      ARG  31  -2.251  -0.007   8.894
  244   2HH2  ARG  31          2HH2      ARG  31  -2.290  -0.850  10.407
  245    H    CYS  32           H        CYS  32  -0.176   0.541   3.218
  246    HA   CYS  32           HA       CYS  32   0.737  -0.195   0.644
  247   1HB   CYS  32          2HB       CYS  32   1.439   2.175   2.410
  248   2HB   CYS  32          1HB       CYS  32   1.702   2.114   0.663
  249    H    ARG  33           H        ARG  33   2.497  -1.496   0.201
  250    HA   ARG  33           HA       ARG  33   5.075  -0.882   1.569
  251   1HB   ARG  33          2HB       ARG  33   3.673  -3.570   1.428
  252   2HB   ARG  33          1HB       ARG  33   5.354  -3.371   1.921
  253   1HG   ARG  33          2HG       ARG  33   4.501  -1.712   3.669
  254   2HG   ARG  33          1HG       ARG  33   2.883  -2.308   3.297
  255   1HD   ARG  33          2HD       ARG  33   4.148  -4.677   3.637
  256   2HD   ARG  33          1HD       ARG  33   5.103  -3.665   4.738
  257    HE   ARG  33           HE       ARG  33   2.114  -3.653   4.861
  258   1HH1  ARG  33          1HH2      ARG  33   4.457  -2.224   6.516
  259   2HH1  ARG  33          2HH2      ARG  33   4.230  -3.037   8.028
  260   1HH2  ARG  33          1HH1      ARG  33   2.150  -5.475   6.703
  261   2HH2  ARG  33          2HH1      ARG  33   2.924  -4.879   8.134
  Start of MODEL    2
    1   1H    GLY   1          1HT       GLY   1  -5.139  10.105  -9.611
    2   2H    GLY   1          2HT       GLY   1  -6.680   9.449  -9.326
    3   3H    GLY   1          3HT       GLY   1  -5.392   9.085  -8.279
    4   1HA   GLY   1          2HA       GLY   1  -5.925  11.909  -8.572
    5   2HA   GLY   1          1HA       GLY   1  -7.224  10.987  -7.815
    6    H    ASP   2           H        ASP   2  -6.985  11.367  -5.645
    7    HA   ASP   2           HA       ASP   2  -4.354  11.629  -4.395
    8   1HB   ASP   2          2HB       ASP   2  -7.050  12.293  -3.867
    9   2HB   ASP   2          1HB       ASP   2  -6.572  11.179  -2.584
   10    H    CYS   3           H        CYS   3  -3.145   9.908  -3.735
   11    HA   CYS   3           HA       CYS   3  -4.532   7.289  -3.250
   12   1HB   CYS   3          2HB       CYS   3  -2.243   6.370  -3.868
   13   2HB   CYS   3          1HB       CYS   3  -3.097   7.193  -5.175
   14    H    LEU   4           H        LEU   4  -3.297   5.884  -1.618
   15    HA   LEU   4           HA       LEU   4  -2.706   7.515   0.762
   16   1HB   LEU   4          2HB       LEU   4  -2.609   4.505   0.409
   17   2HB   LEU   4          1HB       LEU   4  -2.848   5.395   1.908
   18    HG   LEU   4           HG       LEU   4  -4.764   5.599  -0.423
   19   1HD1  LEU   4          1HD1      LEU   4  -5.193   3.907   2.040
   20   2HD1  LEU   4          2HD1      LEU   4  -4.465   3.237   0.581
   21   3HD1  LEU   4          3HD1      LEU   4  -6.101   3.891   0.529
   22   1HD2  LEU   4          1HD2      LEU   4  -4.503   6.808   2.218
   23   2HD2  LEU   4          2HD2      LEU   4  -6.054   5.993   2.026
   24   3HD2  LEU   4          3HD2      LEU   4  -5.574   7.253   0.889
   25    HA   PRO   5           HA       PRO   5   1.669   7.417   0.613
   26   1HB   PRO   5          2HB       PRO   5   2.319   6.726   3.184
   27   2HB   PRO   5          1HB       PRO   5   1.671   8.322   2.748
   28   1HG   PRO   5          2HG       PRO   5   0.213   5.923   3.780
   29   2HG   PRO   5          1HG       PRO   5   0.117   7.603   4.332
   30   1HD   PRO   5          2HD       PRO   5  -1.744   6.612   2.738
   31   2HD   PRO   5          1HD       PRO   5  -1.136   8.266   2.480
   32    H    HIS   6           H        HIS   6   3.597   5.926   1.047
   33    HA   HIS   6           HA       HIS   6   2.884   3.208   0.360
   34   1HB   HIS   6          2HB       HIS   6   4.513   4.226  -1.023
   35   2HB   HIS   6          1HB       HIS   6   5.364   4.905   0.362
   36    HD1  HIS   6           1HD      HIS   6   7.619   3.788   0.057
   37    HD2  HIS   6           2HD      HIS   6   4.473   1.055   0.022
   38    HE1  HIS   6           1HE      HIS   6   8.671   1.485   0.142
   39    H    LEU   7           H        LEU   7   2.362   3.965   3.095
   40    HA   LEU   7           HA       LEU   7   3.766   1.845   4.419
   41   1HB   LEU   7          2HB       LEU   7   4.666   4.583   4.531
   42   2HB   LEU   7          1HB       LEU   7   4.265   3.992   6.145
   43    HG   LEU   7           HG       LEU   7   6.117   2.651   4.158
   44   1HD1  LEU   7          1HD1      LEU   7   7.323   3.166   6.671
   45   2HD1  LEU   7          2HD1      LEU   7   6.502   4.650   6.188
   46   3HD1  LEU   7          3HD1      LEU   7   7.701   3.916   5.121
   47   1HD2  LEU   7          1HD2      LEU   7   5.068   0.887   5.332
   48   2HD2  LEU   7          2HD2      LEU   7   4.992   1.814   6.830
   49   3HD2  LEU   7          3HD2      LEU   7   6.538   1.187   6.259
   50    H    LYS   8           H        LYS   8   0.935   3.111   3.920
   51    HA   LYS   8           HA       LYS   8   0.033   2.856   6.776
   52   1HB   LYS   8          2HB       LYS   8  -0.850   4.647   4.506
   53   2HB   LYS   8          1HB       LYS   8  -1.843   4.399   5.939
   54   1HG   LYS   8          2HG       LYS   8   0.717   4.929   6.941
   55   2HG   LYS   8          1HG       LYS   8   0.504   6.076   5.619
   56   1HD   LYS   8          2HD       LYS   8  -1.417   5.640   7.923
   57   2HD   LYS   8          1HD       LYS   8  -0.362   7.037   7.700
   58   1HE   LYS   8          2HE       LYS   8  -1.952   6.554   5.311
   59   2HE   LYS   8          1HE       LYS   8  -2.982   6.790   6.738
   60   1HZ   LYS   8          1HZ       LYS   8  -2.516   8.954   6.175
   61   2HZ   LYS   8          2HZ       LYS   8  -0.963   8.593   5.587
   62   3HZ   LYS   8          3HZ       LYS   8  -1.251   8.642   7.260
   63    H    ARG   9           H        ARG   9  -2.137   1.889   7.011
   64    HA   ARG   9           HA       ARG   9  -2.571  -0.393   5.340
   65   1HB   ARG   9          2HB       ARG   9  -3.323  -0.342   7.634
   66   2HB   ARG   9          1HB       ARG   9  -4.264   1.120   7.351
   67   1HG   ARG   9          2HG       ARG   9  -5.991  -0.357   7.121
   68   2HG   ARG   9          1HG       ARG   9  -5.362  -0.524   5.484
   69   1HD   ARG   9          2HD       ARG   9  -3.806  -2.356   6.558
   70   2HD   ARG   9          1HD       ARG   9  -5.048  -2.386   7.823
   71    HE   ARG   9           HE       ARG   9  -5.382  -3.486   5.208
   72   1HH1  ARG   9          1HH2      ARG   9  -7.105  -1.013   5.008
   73   2HH1  ARG   9          2HH2      ARG   9  -8.630  -1.604   5.578
   74   1HH2  ARG   9          1HH1      ARG   9  -7.290  -4.454   7.024
   75   2HH2  ARG   9          2HH1      ARG   9  -8.736  -3.548   6.720
   76    H    CYS  10           H        CYS  10  -4.046  -0.688   3.610
   77    HA   CYS  10           HA       CYS  10  -5.398   1.811   2.639
   78   1HB   CYS  10          2HB       CYS  10  -4.597   1.323   0.459
   79   2HB   CYS  10          1HB       CYS  10  -3.230   0.985   1.517
   80    H    LYS  11           H        LYS  11  -7.342   1.449   1.366
   81    HA   LYS  11           HA       LYS  11  -8.893  -0.893   2.262
   82   1HB   LYS  11          2HB       LYS  11  -9.523   1.670   1.953
   83   2HB   LYS  11          1HB       LYS  11  -9.836   1.167   0.290
   84   1HG   LYS  11          2HG       LYS  11 -11.619  -0.169   0.880
   85   2HG   LYS  11          1HG       LYS  11 -10.951  -0.537   2.470
   86   1HD   LYS  11          2HD       LYS  11 -11.724   2.294   1.926
   87   2HD   LYS  11          1HD       LYS  11 -13.024   1.127   2.175
   88   1HE   LYS  11          2HE       LYS  11 -11.849   0.398   4.301
   89   2HE   LYS  11          1HE       LYS  11 -10.757   1.779   4.086
   90   1HZ   LYS  11          1HZ       LYS  11 -13.504   1.750   4.919
   91   2HZ   LYS  11          2HZ       LYS  11 -13.230   2.825   3.630
   92   3HZ   LYS  11          3HZ       LYS  11 -12.344   2.977   5.072
   93    H    ALA  12           H        ALA  12  -7.105   0.140  -0.532
   94    HA   ALA  12           HA       ALA  12  -7.894  -2.365  -1.944
   95   1HB   ALA  12          1HB       ALA  12  -8.422  -1.130  -3.950
   96   2HB   ALA  12          2HB       ALA  12  -7.840   0.376  -3.238
   97   3HB   ALA  12          3HB       ALA  12  -9.314  -0.376  -2.628
   98    H    ASP  13           H        ASP  13  -6.181  -3.248  -3.101
   99    HA   ASP  13           HA       ASP  13  -3.518  -2.757  -2.553
  100   1HB   ASP  13          2HB       ASP  13  -4.640  -3.581  -5.246
  101   2HB   ASP  13          1HB       ASP  13  -3.082  -4.048  -4.560
  102    H    ASN  14           H        ASN  14  -5.550  -1.041  -4.884
  103    HA   ASN  14           HA       ASN  14  -3.250   0.463  -5.973
  104   1HB   ASN  14          2HB       ASN  14  -6.195   0.196  -6.508
  105   2HB   ASN  14          1HB       ASN  14  -5.295   1.533  -7.220
  106   1HD2  ASN  14          1HD2      ASN  14  -6.091   0.066  -9.219
  107   2HD2  ASN  14          2HD2      ASN  14  -4.953  -1.074  -9.754
  108    H    ASP  15           H        ASP  15  -5.659   0.876  -3.497
  109    HA   ASP  15           HA       ASP  15  -6.071   3.634  -3.408
  110   1HB   ASP  15          2HB       ASP  15  -6.368   1.380  -1.785
  111   2HB   ASP  15          1HB       ASP  15  -5.598   2.601  -0.781
  112    H    CYS  16           H        CYS  16  -3.137   1.872  -2.685
  113    HA   CYS  16           HA       CYS  16  -1.817   4.032  -1.194
  114   1HB   CYS  16          2HB       CYS  16  -0.827   1.526  -2.611
  115   2HB   CYS  16          1HB       CYS  16   0.118   2.494  -1.471
  116    H    CYS  17           H        CYS  17   0.134   5.119  -2.060
  117    HA   CYS  17           HA       CYS  17  -0.261   6.104  -4.787
  118   1HB   CYS  17          2HB       CYS  17   1.787   6.572  -2.600
  119   2HB   CYS  17          1HB       CYS  17   1.812   7.425  -4.147
  120    H    GLY  18           H        GLY  18   1.190   3.338  -3.526
  121   1HA   GLY  18          2HA       GLY  18   3.254   3.308  -5.691
  122   2HA   GLY  18          1HA       GLY  18   3.305   2.296  -4.245
  123    H    LYS  19           H        LYS  19   0.159   2.263  -4.980
  124    HA   LYS  19           HA       LYS  19  -1.253   0.692  -6.023
  125   1HB   LYS  19          2HB       LYS  19   1.077   0.466  -7.955
  126   2HB   LYS  19          1HB       LYS  19  -0.621   0.129  -8.298
  127   1HG   LYS  19          2HG       LYS  19  -1.204   2.467  -7.971
  128   2HG   LYS  19          1HG       LYS  19   0.445   2.842  -7.469
  129   1HD   LYS  19          2HD       LYS  19   1.297   2.631  -9.622
  130   2HD   LYS  19          1HD       LYS  19   0.001   1.551 -10.139
  131   1HE   LYS  19          2HE       LYS  19  -1.135   3.319 -10.978
  132   2HE   LYS  19          1HE       LYS  19  -1.159   4.071  -9.369
  133   1HZ   LYS  19          1HZ       LYS  19   1.154   4.784  -9.763
  134   2HZ   LYS  19          2HZ       LYS  19   0.063   5.482 -10.862
  135   3HZ   LYS  19          3HZ       LYS  19   1.055   4.193 -11.349
  136    H    LYS  20           H        LYS  20   1.277  -0.064  -4.260
  137    HA   LYS  20           HA       LYS  20   1.026  -3.003  -4.776
  138   1HB   LYS  20          2HB       LYS  20   3.457  -3.071  -4.027
  139   2HB   LYS  20          1HB       LYS  20   3.186  -2.255  -5.567
  140   1HG   LYS  20          2HG       LYS  20   3.267  -0.079  -4.489
  141   2HG   LYS  20          1HG       LYS  20   3.369  -0.832  -2.898
  142   1HD   LYS  20          2HD       LYS  20   5.611  -0.269  -3.423
  143   2HD   LYS  20          1HD       LYS  20   5.497  -1.990  -3.784
  144   1HE   LYS  20          2HE       LYS  20   6.370  -1.393  -5.814
  145   2HE   LYS  20          1HE       LYS  20   4.720  -0.849  -6.178
  146   1HZ   LYS  20          1HZ       LYS  20   6.002   1.053  -6.500
  147   2HZ   LYS  20          2HZ       LYS  20   7.001   0.734  -5.163
  148   3HZ   LYS  20          3HZ       LYS  20   5.402   1.256  -4.927
  149    H    CYS  21           H        CYS  21  -0.735  -2.424  -3.058
  150    HA   CYS  21           HA       CYS  21   0.218  -1.903  -0.352
  151   1HB   CYS  21          2HB       CYS  21  -2.053  -1.442  -1.594
  152   2HB   CYS  21          1HB       CYS  21  -2.448  -3.081  -1.076
  153    H    LYS  22           H        LYS  22   1.340  -3.601   0.697
  154    HA   LYS  22           HA       LYS  22   1.021  -6.375  -0.167
  155   1HB   LYS  22          2HB       LYS  22   3.114  -5.174   0.668
  156   2HB   LYS  22          1HB       LYS  22   2.428  -5.310   2.289
  157   1HG   LYS  22          2HG       LYS  22   3.088  -7.458   2.432
  158   2HG   LYS  22          1HG       LYS  22   2.232  -7.851   0.942
  159   1HD   LYS  22          2HD       LYS  22   4.131  -7.818  -0.284
  160   2HD   LYS  22          1HD       LYS  22   4.691  -6.328   0.477
  161   1HE   LYS  22          2HE       LYS  22   5.897  -7.450   2.089
  162   2HE   LYS  22          1HE       LYS  22   4.740  -8.795   2.161
  163   1HZ   LYS  22          1HZ       LYS  22   6.827  -8.266   0.138
  164   2HZ   LYS  22          2HZ       LYS  22   5.475  -9.224  -0.240
  165   3HZ   LYS  22          3HZ       LYS  22   6.531  -9.693   1.006
  166    H    ARG  23           H        ARG  23  -0.006  -8.038   0.950
  167    HA   ARG  23           HA       ARG  23  -1.610  -7.327   3.374
  168   1HB   ARG  23          2HB       ARG  23  -3.002  -9.345   2.141
  169   2HB   ARG  23          1HB       ARG  23  -3.359  -7.639   1.946
  170   1HG   ARG  23          2HG       ARG  23  -3.195  -8.633  -0.258
  171   2HG   ARG  23          1HG       ARG  23  -1.777  -7.613  -0.022
  172   1HD   ARG  23          2HD       ARG  23  -0.687  -9.520  -0.743
  173   2HD   ARG  23          1HD       ARG  23  -0.834  -9.964   0.970
  174    HE   ARG  23           HE       ARG  23  -3.257 -10.652  -0.407
  175   1HH1  ARG  23          1HH1      ARG  23  -0.839 -12.051   1.284
  176   2HH1  ARG  23          2HH1      ARG  23  -0.717 -13.498   0.338
  177   1HH2  ARG  23          1HH2      ARG  23  -2.725 -12.305  -2.226
  178   2HH2  ARG  23          2HH2      ARG  23  -1.783 -13.641  -1.652
  179    H    ARG  24           H        ARG  24  -2.503  -9.593   4.259
  180    HA   ARG  24           HA       ARG  24  -0.656 -11.851   3.993
  181   1HB   ARG  24          2HB       ARG  24  -0.437  -9.825   6.140
  182   2HB   ARG  24          1HB       ARG  24  -0.433 -11.493   6.703
  183   1HG   ARG  24          2HG       ARG  24   1.235 -11.341   4.386
  184   2HG   ARG  24          1HG       ARG  24   1.705 -10.044   5.486
  185   1HD   ARG  24          2HD       ARG  24   1.379 -12.952   6.309
  186   2HD   ARG  24          1HD       ARG  24   2.933 -12.162   5.979
  187    HE   ARG  24           HE       ARG  24   1.312 -10.647   7.858
  188   1HH1  ARG  24          1HH1      ARG  24   2.879 -13.675   7.744
  189   2HH1  ARG  24          2HH1      ARG  24   3.722 -13.466   9.242
  190   1HH2  ARG  24          1HH2      ARG  24   2.663 -10.192   9.683
  191   2HH2  ARG  24          2HH2      ARG  24   3.600 -11.492  10.340
  192    H    GLY  25           H        GLY  25  -3.351 -11.772   3.493
  193   1HA   GLY  25          2HA       GLY  25  -4.466 -13.903   4.884
  194   2HA   GLY  25          1HA       GLY  25  -4.951 -12.484   5.814
  195    H    THR  26           H        THR  26  -6.352 -14.464   3.863
  196    HA   THR  26           HA       THR  26  -7.924 -14.349   2.088
  197    HB   THR  26           HB       THR  26  -9.024 -13.521   4.166
  198    HG1  THR  26           1HG      THR  26 -10.745 -12.966   3.059
  199   1HG2  THR  26          1HG2      THR  26  -7.801 -11.569   4.725
  200   2HG2  THR  26          2HG2      THR  26  -9.382 -10.975   4.220
  201   3HG2  THR  26          3HG2      THR  26  -8.012 -10.878   3.116
  202    H    ASN  27           H        ASN  27  -5.595 -13.408   1.021
  203    HA   ASN  27           HA       ASN  27  -4.676 -11.865  -0.558
  204   1HB   ASN  27          2HB       ASN  27  -7.421 -11.478  -1.612
  205   2HB   ASN  27          1HB       ASN  27  -5.963 -12.001  -2.448
  206   1HD2  ASN  27          1HD2      ASN  27  -8.942 -13.130  -1.705
  207   2HD2  ASN  27          2HD2      ASN  27  -8.608 -14.782  -1.496
  208    H    ALA  28           H        ALA  28  -6.214  -9.865  -1.914
  209    HA   ALA  28           HA       ALA  28  -7.023  -7.647  -1.700
  210   1HB   ALA  28          1HB       ALA  28  -8.194  -8.790   0.323
  211   2HB   ALA  28          2HB       ALA  28  -8.033  -7.035   0.352
  212   3HB   ALA  28          3HB       ALA  28  -6.934  -8.038   1.296
  213    H    GLU  29           H        GLU  29  -5.914  -6.545   1.164
  214    HA   GLU  29           HA       GLU  29  -3.056  -6.330   0.570
  215   1HB   GLU  29          2HB       GLU  29  -3.397  -3.752   0.363
  216   2HB   GLU  29          1HB       GLU  29  -3.730  -4.755  -1.046
  217   1HG   GLU  29          2HG       GLU  29  -5.547  -3.134  -0.705
  218   2HG   GLU  29          1HG       GLU  29  -6.136  -4.775  -0.443
  219    H    LYS  30           H        LYS  30  -1.933  -5.140   2.314
  220    HA   LYS  30           HA       LYS  30  -3.672  -4.719   4.691
  221   1HB   LYS  30          2HB       LYS  30  -0.988  -5.993   4.397
  222   2HB   LYS  30          1HB       LYS  30  -1.431  -5.221   5.914
  223   1HG   LYS  30          2HG       LYS  30  -3.442  -6.599   6.073
  224   2HG   LYS  30          1HG       LYS  30  -3.069  -7.355   4.525
  225   1HD   LYS  30          2HD       LYS  30  -2.314  -8.836   6.286
  226   2HD   LYS  30          1HD       LYS  30  -0.893  -8.136   5.509
  227   1HE   LYS  30          2HE       LYS  30  -1.869  -6.468   7.707
  228   2HE   LYS  30          1HE       LYS  30  -1.399  -8.095   8.242
  229   1HZ   LYS  30          1HZ       LYS  30   0.461  -6.406   8.041
  230   2HZ   LYS  30          2HZ       LYS  30   0.250  -6.512   6.359
  231   3HZ   LYS  30          3HZ       LYS  30   0.700  -7.886   7.250
  232    H    ARG  31           H        ARG  31  -0.323  -3.889   3.801
  233    HA   ARG  31           HA       ARG  31  -0.992  -1.020   4.374
  234   1HB   ARG  31          2HB       ARG  31   0.678  -2.815   5.791
  235   2HB   ARG  31          1HB       ARG  31   1.755  -1.702   4.946
  236   1HG   ARG  31          2HG       ARG  31   0.820   0.191   5.994
  237   2HG   ARG  31          1HG       ARG  31  -0.637  -0.681   6.471
  238   1HD   ARG  31          2HD       ARG  31   1.945  -1.738   7.527
  239   2HD   ARG  31          1HD       ARG  31   1.356  -0.213   8.218
  240    HE   ARG  31           HE       ARG  31  -0.917  -1.630   8.296
  241   1HH1  ARG  31          1HH1      ARG  31   2.172  -2.011   9.652
  242   2HH1  ARG  31          2HH1      ARG  31   1.790  -3.472  10.502
  243   1HH2  ARG  31          1HH2      ARG  31  -1.366  -3.776   9.101
  244   2HH2  ARG  31          2HH2      ARG  31  -0.212  -4.471  10.189
  245    H    CYS  32           H        CYS  32  -0.014   0.483   3.002
  246    HA   CYS  32           HA       CYS  32   0.706  -0.262   0.355
  247   1HB   CYS  32          2HB       CYS  32   1.509   2.213   1.919
  248   2HB   CYS  32          1HB       CYS  32   1.330   2.086   0.166
  249    H    ARG  33           H        ARG  33   2.389  -1.891   0.410
  250    HA   ARG  33           HA       ARG  33   5.100  -0.790   0.642
  251   1HB   ARG  33          2HB       ARG  33   5.794  -2.255   2.456
  252   2HB   ARG  33          1HB       ARG  33   4.389  -1.332   2.987
  253   1HG   ARG  33          2HG       ARG  33   2.923  -3.234   2.477
  254   2HG   ARG  33          1HG       ARG  33   4.305  -4.159   1.890
  255   1HD   ARG  33          2HD       ARG  33   4.875  -4.768   3.999
  256   2HD   ARG  33          1HD       ARG  33   4.797  -3.086   4.563
  257    HE   ARG  33           HE       ARG  33   2.223  -3.474   4.516
  258   1HH1  ARG  33          1HH1      ARG  33   3.500  -6.415   3.898
  259   2HH1  ARG  33          2HH1      ARG  33   2.927  -7.210   5.326
  260   1HH2  ARG  33          1HH2      ARG  33   1.956  -4.269   6.889
  261   2HH2  ARG  33          2HH2      ARG  33   2.061  -5.992   7.024
  Start of MODEL    3
    1   1H    GLY   1          1HT       GLY   1  -3.585  12.976  -9.368
    2   2H    GLY   1          2HT       GLY   1  -3.746  13.620  -7.806
    3   3H    GLY   1          3HT       GLY   1  -4.990  12.671  -8.467
    4   1HA   GLY   1          2HA       GLY   1  -3.030  10.922  -8.646
    5   2HA   GLY   1          1HA       GLY   1  -2.460  11.862  -7.266
    6    H    ASP   2           H        ASP   2  -4.026  12.149  -5.453
    7    HA   ASP   2           HA       ASP   2  -5.613  11.288  -3.922
    8   1HB   ASP   2          2HB       ASP   2  -6.674  11.116  -6.545
    9   2HB   ASP   2          1HB       ASP   2  -7.058   9.587  -5.755
   10    H    CYS   3           H        CYS   3  -3.321  10.001  -3.641
   11    HA   CYS   3           HA       CYS   3  -4.073   7.103  -3.554
   12   1HB   CYS   3          2HB       CYS   3  -1.764   6.593  -4.271
   13   2HB   CYS   3          1HB       CYS   3  -2.589   7.583  -5.476
   14    H    LEU   4           H        LEU   4  -2.918   5.921  -1.851
   15    HA   LEU   4           HA       LEU   4  -2.315   7.643   0.486
   16   1HB   LEU   4          2HB       LEU   4  -2.599   4.639   0.159
   17   2HB   LEU   4          1HB       LEU   4  -2.564   5.512   1.691
   18    HG   LEU   4           HG       LEU   4  -4.540   6.679  -0.061
   19   1HD1  LEU   4          1HD1      LEU   4  -5.729   4.161   0.609
   20   2HD1  LEU   4          2HD1      LEU   4  -4.267   3.856  -0.329
   21   3HD1  LEU   4          3HD1      LEU   4  -5.537   4.889  -0.987
   22   1HD2  LEU   4          1HD2      LEU   4  -4.654   7.007   2.304
   23   2HD2  LEU   4          2HD2      LEU   4  -4.538   5.276   2.620
   24   3HD2  LEU   4          3HD2      LEU   4  -6.008   5.947   1.913
   25    HA   PRO   5           HA       PRO   5   2.046   7.047   0.473
   26   1HB   PRO   5          2HB       PRO   5   2.517   6.572   3.130
   27   2HB   PRO   5          1HB       PRO   5   2.068   8.176   2.507
   28   1HG   PRO   5          2HG       PRO   5   0.317   6.071   3.722
   29   2HG   PRO   5          1HG       PRO   5   0.385   7.806   4.079
   30   1HD   PRO   5          2HD       PRO   5  -1.512   6.811   2.518
   31   2HD   PRO   5          1HD       PRO   5  -0.751   8.376   2.139
   32    H    HIS   6           H        HIS   6   3.715   5.324   0.808
   33    HA   HIS   6           HA       HIS   6   2.578   2.679   0.652
   34   1HB   HIS   6          2HB       HIS   6   4.577   2.119  -0.390
   35   2HB   HIS   6          1HB       HIS   6   4.507   3.848  -0.714
   36    HD1  HIS   6           1HD      HIS   6   6.203   5.362   0.507
   37    HD2  HIS   6           2HD      HIS   6   6.478   1.360   1.620
   38    HE1  HIS   6           1HE      HIS   6   8.345   5.127   1.828
   39    H    LEU   7           H        LEU   7   2.403   3.964   3.217
   40    HA   LEU   7           HA       LEU   7   3.586   1.891   4.848
   41   1HB   LEU   7          2HB       LEU   7   4.903   4.323   4.416
   42   2HB   LEU   7          1HB       LEU   7   4.168   4.489   6.011
   43    HG   LEU   7           HG       LEU   7   6.438   3.513   6.153
   44   1HD1  LEU   7          1HD1      LEU   7   4.401   1.368   6.773
   45   2HD1  LEU   7          2HD1      LEU   7   4.500   2.862   7.706
   46   3HD1  LEU   7          3HD1      LEU   7   5.875   1.758   7.659
   47   1HD2  LEU   7          1HD2      LEU   7   5.294   1.118   4.702
   48   2HD2  LEU   7          2HD2      LEU   7   6.974   1.410   5.153
   49   3HD2  LEU   7          3HD2      LEU   7   6.224   2.370   3.877
   50    H    LYS   8           H        LYS   8   0.910   2.291   4.348
   51    HA   LYS   8           HA       LYS   8  -0.123   2.939   7.033
   52   1HB   LYS   8          2HB       LYS   8   0.064   5.099   5.776
   53   2HB   LYS   8          1HB       LYS   8  -1.009   4.436   4.544
   54   1HG   LYS   8          2HG       LYS   8  -2.860   4.421   5.977
   55   2HG   LYS   8          1HG       LYS   8  -1.858   4.436   7.429
   56   1HD   LYS   8          2HD       LYS   8  -1.628   6.761   5.572
   57   2HD   LYS   8          1HD       LYS   8  -3.088   6.646   6.556
   58   1HE   LYS   8          2HE       LYS   8  -0.868   6.045   8.255
   59   2HE   LYS   8          1HE       LYS   8  -0.491   7.539   7.374
   60   1HZ   LYS   8          1HZ       LYS   8  -2.001   7.602   9.498
   61   2HZ   LYS   8          2HZ       LYS   8  -3.214   7.154   8.396
   62   3HZ   LYS   8          3HZ       LYS   8  -2.343   8.594   8.165
   63    H    ARG   9           H        ARG   9  -2.048   1.791   7.414
   64    HA   ARG   9           HA       ARG   9  -2.774  -0.485   6.030
   65   1HB   ARG   9          2HB       ARG   9  -3.825  -0.125   8.094
   66   2HB   ARG   9          1HB       ARG   9  -4.266   1.533   7.689
   67   1HG   ARG   9          2HG       ARG   9  -6.207   0.902   6.676
   68   2HG   ARG   9          1HG       ARG   9  -5.469  -0.518   5.937
   69   1HD   ARG   9          2HD       ARG   9  -5.941  -0.470   8.913
   70   2HD   ARG   9          1HD       ARG   9  -7.265  -0.886   7.806
   71    HE   ARG   9           HE       ARG   9  -5.319  -2.459   6.811
   72   1HH1  ARG   9          1HH2      ARG   9  -3.829  -2.077   9.429
   73   2HH1  ARG   9          2HH2      ARG   9  -4.355  -3.463  10.326
   74   1HH2  ARG   9          1HH1      ARG   9  -7.041  -4.124   8.234
   75   2HH2  ARG   9          2HH1      ARG   9  -6.175  -4.622   9.648
   76    H    CYS  10           H        CYS  10  -3.676  -0.899   4.040
   77    HA   CYS  10           HA       CYS  10  -4.838   1.442   2.568
   78   1HB   CYS  10          2HB       CYS  10  -3.838   0.582   0.652
   79   2HB   CYS  10          1HB       CYS  10  -2.707   0.013   1.874
   80    H    LYS  11           H        LYS  11  -6.869   1.188   1.556
   81    HA   LYS  11           HA       LYS  11  -8.563  -0.965   2.659
   82   1HB   LYS  11          2HB       LYS  11  -9.483   1.233   2.683
   83   2HB   LYS  11          1HB       LYS  11  -8.975   1.544   1.022
   84   1HG   LYS  11          2HG       LYS  11 -11.435   1.050   1.262
   85   2HG   LYS  11          1HG       LYS  11 -10.588  -0.038   0.161
   86   1HD   LYS  11          2HD       LYS  11 -11.153  -1.816   1.416
   87   2HD   LYS  11          1HD       LYS  11 -10.425  -1.076   2.842
   88   1HE   LYS  11          2HE       LYS  11 -12.570  -1.026   3.635
   89   2HE   LYS  11          1HE       LYS  11 -12.754   0.381   2.568
   90   1HZ   LYS  11          1HZ       LYS  11 -13.002  -2.347   1.480
   91   2HZ   LYS  11          2HZ       LYS  11 -13.649  -0.894   0.883
   92   3HZ   LYS  11          3HZ       LYS  11 -14.330  -1.629   2.256
   93    H    ALA  12           H        ALA  12  -6.877  -0.216  -0.285
   94    HA   ALA  12           HA       ALA  12  -7.814  -2.749  -1.481
   95   1HB   ALA  12          1HB       ALA  12  -9.365  -1.748  -2.778
   96   2HB   ALA  12          2HB       ALA  12  -8.103  -0.748  -3.495
   97   3HB   ALA  12          3HB       ALA  12  -8.966  -0.186  -2.064
   98    H    ASP  13           H        ASP  13  -6.398  -3.452  -3.170
   99    HA   ASP  13           HA       ASP  13  -3.678  -2.829  -3.001
  100   1HB   ASP  13          2HB       ASP  13  -5.161  -3.726  -5.492
  101   2HB   ASP  13          1HB       ASP  13  -3.506  -4.132  -5.029
  102    H    ASN  14           H        ASN  14  -6.155  -1.402  -5.134
  103    HA   ASN  14           HA       ASN  14  -4.170   0.413  -6.371
  104   1HB   ASN  14          2HB       ASN  14  -5.867  -0.632  -7.758
  105   2HB   ASN  14          1HB       ASN  14  -7.149  -0.048  -6.698
  106   1HD2  ASN  14          1HD2      ASN  14  -7.892   0.956  -8.886
  107   2HD2  ASN  14          2HD2      ASN  14  -7.270   2.486  -9.277
  108    H    ASP  15           H        ASP  15  -4.196   1.048  -3.707
  109    HA   ASP  15           HA       ASP  15  -5.816   3.561  -3.624
  110   1HB   ASP  15          2HB       ASP  15  -6.019   1.266  -2.055
  111   2HB   ASP  15          1HB       ASP  15  -5.312   2.490  -1.011
  112    H    CYS  16           H        CYS  16  -2.800   1.962  -2.953
  113    HA   CYS  16           HA       CYS  16  -1.579   4.125  -1.383
  114   1HB   CYS  16          2HB       CYS  16  -0.292   1.877  -2.975
  115   2HB   CYS  16          1HB       CYS  16   0.333   2.663  -1.524
  116    H    CYS  17           H        CYS  17   0.454   5.174  -2.280
  117    HA   CYS  17           HA       CYS  17  -0.055   6.363  -4.911
  118   1HB   CYS  17          2HB       CYS  17   2.082   6.653  -2.780
  119   2HB   CYS  17          1HB       CYS  17   2.043   7.622  -4.256
  120    H    GLY  18           H        GLY  18   1.521   3.577  -3.761
  121   1HA   GLY  18          2HA       GLY  18   3.447   3.586  -6.041
  122   2HA   GLY  18          1HA       GLY  18   3.523   2.498  -4.651
  123    H    LYS  19           H        LYS  19   0.376   2.481  -5.125
  124    HA   LYS  19           HA       LYS  19  -1.140   1.082  -6.295
  125   1HB   LYS  19          2HB       LYS  19   0.796   1.967  -8.138
  126   2HB   LYS  19          1HB       LYS  19   0.695   0.223  -8.385
  127   1HG   LYS  19          2HG       LYS  19  -1.613   0.306  -8.878
  128   2HG   LYS  19          1HG       LYS  19  -1.792   1.915  -8.177
  129   1HD   LYS  19          2HD       LYS  19  -1.772   2.388 -10.467
  130   2HD   LYS  19          1HD       LYS  19  -0.080   2.626 -10.030
  131   1HE   LYS  19          2HE       LYS  19   0.485   1.064 -11.570
  132   2HE   LYS  19          1HE       LYS  19  -0.399  -0.146 -10.618
  133   1HZ   LYS  19          1HZ       LYS  19  -2.436   1.119 -11.694
  134   2HZ   LYS  19          2HZ       LYS  19  -1.672  -0.177 -12.485
  135   3HZ   LYS  19          3HZ       LYS  19  -1.298   1.424 -12.915
  136    H    LYS  20           H        LYS  20   1.309   0.207  -4.524
  137    HA   LYS  20           HA       LYS  20   0.929  -2.719  -5.006
  138   1HB   LYS  20          2HB       LYS  20   3.351  -1.019  -4.950
  139   2HB   LYS  20          1HB       LYS  20   3.472  -2.504  -4.008
  140   1HG   LYS  20          2HG       LYS  20   2.395  -3.578  -6.181
  141   2HG   LYS  20          1HG       LYS  20   3.093  -2.156  -6.958
  142   1HD   LYS  20          2HD       LYS  20   5.226  -2.855  -5.528
  143   2HD   LYS  20          1HD       LYS  20   4.468  -4.446  -5.609
  144   1HE   LYS  20          2HE       LYS  20   4.889  -2.746  -8.083
  145   2HE   LYS  20          1HE       LYS  20   6.097  -3.915  -7.512
  146   1HZ   LYS  20          1HZ       LYS  20   4.842  -5.346  -8.706
  147   2HZ   LYS  20          2HZ       LYS  20   3.446  -4.382  -8.619
  148   3HZ   LYS  20          3HZ       LYS  20   3.885  -5.364  -7.305
  149    H    CYS  21           H        CYS  21  -0.695  -2.430  -3.233
  150    HA   CYS  21           HA       CYS  21   0.256  -1.572  -0.606
  151   1HB   CYS  21          2HB       CYS  21  -2.080  -1.261  -1.247
  152   2HB   CYS  21          1HB       CYS  21  -2.250  -2.980  -1.605
  153    H    LYS  22           H        LYS  22   0.851  -3.008   1.103
  154    HA   LYS  22           HA       LYS  22   1.670  -5.705   0.301
  155   1HB   LYS  22          2HB       LYS  22   2.207  -3.772   2.366
  156   2HB   LYS  22          1HB       LYS  22   1.798  -5.316   3.120
  157   1HG   LYS  22          2HG       LYS  22   3.450  -5.982   0.950
  158   2HG   LYS  22          1HG       LYS  22   4.208  -4.571   1.682
  159   1HD   LYS  22          2HD       LYS  22   4.170  -5.661   3.880
  160   2HD   LYS  22          1HD       LYS  22   3.343  -7.057   3.188
  161   1HE   LYS  22          2HE       LYS  22   5.787  -6.378   1.716
  162   2HE   LYS  22          1HE       LYS  22   6.098  -6.796   3.412
  163   1HZ   LYS  22          1HZ       LYS  22   4.230  -8.372   1.750
  164   2HZ   LYS  22          2HZ       LYS  22   4.989  -8.821   3.202
  165   3HZ   LYS  22          3HZ       LYS  22   5.890  -8.716   1.765
  166    H    ARG  23           H        ARG  23   0.889  -7.620   1.534
  167    HA   ARG  23           HA       ARG  23  -1.801  -7.448   2.803
  168   1HB   ARG  23          2HB       ARG  23  -1.044  -8.771   0.198
  169   2HB   ARG  23          1HB       ARG  23  -2.417  -9.339   1.149
  170   1HG   ARG  23          2HG       ARG  23  -3.644  -7.432   0.769
  171   2HG   ARG  23          1HG       ARG  23  -2.226  -6.416   0.609
  172   1HD   ARG  23          2HD       ARG  23  -2.108  -8.302  -1.510
  173   2HD   ARG  23          1HD       ARG  23  -3.752  -7.631  -1.484
  174    HE   ARG  23           HE       ARG  23  -2.331  -5.381  -1.118
  175   1HH1  ARG  23          1HH2      ARG  23  -0.628  -7.838  -2.574
  176   2HH1  ARG  23          2HH2      ARG  23  -0.341  -7.014  -4.070
  177   1HH2  ARG  23          1HH1      ARG  23  -2.483  -4.388  -3.341
  178   2HH2  ARG  23          2HH1      ARG  23  -1.391  -5.061  -4.505
  179    H    ARG  24           H        ARG  24  -2.440  -9.839   3.383
  180    HA   ARG  24           HA       ARG  24  -0.155 -11.658   3.819
  181   1HB   ARG  24          2HB       ARG  24  -1.006  -9.738   5.753
  182   2HB   ARG  24          1HB       ARG  24  -1.485 -11.331   6.343
  183   1HG   ARG  24          2HG       ARG  24   0.911 -12.066   5.672
  184   2HG   ARG  24          1HG       ARG  24   1.274 -10.339   5.642
  185   1HD   ARG  24          2HD       ARG  24   1.463 -10.330   7.896
  186   2HD   ARG  24          1HD       ARG  24  -0.194 -10.949   8.050
  187    HE   ARG  24           HE       ARG  24   1.539 -13.073   7.205
  188   1HH1  ARG  24          1HH2      ARG  24  -0.432 -12.287   9.681
  189   2HH1  ARG  24          2HH2      ARG  24   0.543 -12.936  10.957
  190   1HH2  ARG  24          1HH1      ARG  24   3.330 -13.404   8.948
  191   2HH2  ARG  24          2HH1      ARG  24   2.672 -13.569  10.542
  192    H    GLY  25           H        GLY  25  -2.241 -12.178   2.205
  193   1HA   GLY  25          2HA       GLY  25  -3.317 -14.603   2.868
  194   2HA   GLY  25          1HA       GLY  25  -4.458 -13.472   3.606
  195    H    THR  26           H        THR  26  -3.632 -15.050   0.729
  196    HA   THR  26           HA       THR  26  -4.248 -14.699  -1.532
  197    HB   THR  26           HB       THR  26  -6.268 -15.506  -0.260
  198    HG1  THR  26           1HG      THR  26  -7.627 -14.092  -2.001
  199   1HG2  THR  26          1HG2      THR  26  -6.778 -12.528  -0.152
  200   2HG2  THR  26          2HG2      THR  26  -6.732 -13.672   1.192
  201   3HG2  THR  26          3HG2      THR  26  -8.069 -13.715   0.042
  202    H    ASN  27           H        ASN  27  -2.901 -12.486  -0.386
  203    HA   ASN  27           HA       ASN  27  -2.733 -10.089  -0.479
  204   1HB   ASN  27          2HB       ASN  27  -2.871 -11.454  -3.114
  205   2HB   ASN  27          1HB       ASN  27  -2.822  -9.692  -3.117
  206   1HD2  ASN  27          1HD2      ASN  27  -1.184 -12.211  -1.101
  207   2HD2  ASN  27          2HD2      ASN  27   0.375 -11.573  -1.322
  208    H    ALA  28           H        ALA  28  -4.534  -8.981   0.413
  209    HA   ALA  28           HA       ALA  28  -6.543  -8.128  -1.606
  210   1HB   ALA  28          1HB       ALA  28  -8.054  -8.505   0.678
  211   2HB   ALA  28          2HB       ALA  28  -6.925  -9.859   0.737
  212   3HB   ALA  28          3HB       ALA  28  -7.963  -9.636  -0.671
  213    H    GLU  29           H        GLU  29  -5.232  -7.603   1.691
  214    HA   GLU  29           HA       GLU  29  -5.117  -4.747   1.270
  215   1HB   GLU  29          2HB       GLU  29  -7.515  -4.929   1.228
  216   2HB   GLU  29          1HB       GLU  29  -7.521  -5.910   2.690
  217   1HG   GLU  29          2HG       GLU  29  -6.147  -3.588   3.422
  218   2HG   GLU  29          1HG       GLU  29  -7.475  -3.016   2.413
  219    H    LYS  30           H        LYS  30  -3.100  -4.858   2.449
  220    HA   LYS  30           HA       LYS  30  -3.407  -5.350   5.385
  221   1HB   LYS  30          2HB       LYS  30  -1.302  -6.078   3.491
  222   2HB   LYS  30          1HB       LYS  30  -0.763  -5.439   5.023
  223   1HG   LYS  30          2HG       LYS  30  -1.118  -7.990   4.854
  224   2HG   LYS  30          1HG       LYS  30  -1.781  -7.152   6.250
  225   1HD   LYS  30          2HD       LYS  30  -3.988  -7.045   5.103
  226   2HD   LYS  30          1HD       LYS  30  -3.310  -7.966   3.761
  227   1HE   LYS  30          2HE       LYS  30  -3.600  -9.911   4.888
  228   2HE   LYS  30          1HE       LYS  30  -2.743  -9.268   6.302
  229   1HZ   LYS  30          1HZ       LYS  30  -5.355  -8.116   5.793
  230   2HZ   LYS  30          2HZ       LYS  30  -4.641  -8.581   7.264
  231   3HZ   LYS  30          3HZ       LYS  30  -5.375  -9.744   6.266
  232    H    ARG  31           H        ARG  31  -0.660  -3.897   3.792
  233    HA   ARG  31           HA       ARG  31  -1.515  -1.171   4.668
  234   1HB   ARG  31          2HB       ARG  31   0.068  -2.794   6.226
  235   2HB   ARG  31          1HB       ARG  31   1.276  -1.890   5.311
  236   1HG   ARG  31          2HG       ARG  31   0.468   0.200   6.098
  237   2HG   ARG  31          1HG       ARG  31  -1.038  -0.511   6.676
  238   1HD   ARG  31          2HD       ARG  31   1.600  -1.432   7.814
  239   2HD   ARG  31          1HD       ARG  31   0.799   0.021   8.445
  240    HE   ARG  31           HE       ARG  31  -1.252  -1.811   8.355
  241   1HH1  ARG  31          1HH2      ARG  31   1.666  -1.292  10.046
  242   2HH1  ARG  31          2HH2      ARG  31   1.428  -2.599  11.158
  243   1HH2  ARG  31          1HH1      ARG  31  -1.460  -3.737   9.612
  244   2HH2  ARG  31          2HH1      ARG  31  -0.343  -3.983  10.912
  245    H    CYS  32           H        CYS  32  -0.810   0.395   3.240
  246    HA   CYS  32           HA       CYS  32   0.185  -0.207   0.672
  247   1HB   CYS  32          2HB       CYS  32   0.216   2.243   2.437
  248   2HB   CYS  32          1HB       CYS  32   0.835   2.280   0.785
  249    H    ARG  33           H        ARG  33   2.251  -0.647  -0.102
  250    HA   ARG  33           HA       ARG  33   4.640   0.277   1.382
  251   1HB   ARG  33          2HB       ARG  33   3.815  -2.639   1.127
  252   2HB   ARG  33          1HB       ARG  33   5.428  -2.123   1.616
  253   1HG   ARG  33          2HG       ARG  33   4.335  -0.790   3.472
  254   2HG   ARG  33          1HG       ARG  33   2.820  -1.587   3.057
  255   1HD   ARG  33          2HD       ARG  33   4.588  -3.716   3.240
  256   2HD   ARG  33          1HD       ARG  33   5.111  -2.643   4.548
  257    HE   ARG  33           HE       ARG  33   2.265  -3.545   4.219
  258   1HH1  ARG  33          1HH2      ARG  33   4.255  -1.536   6.008
  259   2HH1  ARG  33          2HH2      ARG  33   3.800  -2.161   7.559
  260   1HH2  ARG  33          1HH1      ARG  33   1.993  -4.815   6.250
  261   2HH2  ARG  33          2HH1      ARG  33   2.518  -4.018   7.695
  Start of MODEL    4
    1   1H    GLY   1          1HT       GLY   1  -7.124  11.301  -7.790
    2   2H    GLY   1          2HT       GLY   1  -5.856  10.980  -6.708
    3   3H    GLY   1          3HT       GLY   1  -5.914  12.462  -7.535
    4   1HA   GLY   1          2HA       GLY   1  -7.546  13.324  -6.220
    5   2HA   GLY   1          1HA       GLY   1  -8.182  11.726  -5.830
    6    H    ASP   2           H        ASP   2  -7.319  10.608  -4.065
    7    HA   ASP   2           HA       ASP   2  -5.072  11.938  -2.592
    8   1HB   ASP   2          2HB       ASP   2  -6.406  11.602  -0.523
    9   2HB   ASP   2          1HB       ASP   2  -7.263  12.624  -1.680
   10    H    CYS   3           H        CYS   3  -3.982  10.006  -3.740
   11    HA   CYS   3           HA       CYS   3  -4.594   7.296  -3.081
   12   1HB   CYS   3          2HB       CYS   3  -2.405   6.869  -3.998
   13   2HB   CYS   3          1HB       CYS   3  -3.078   8.236  -4.888
   14    H    LEU   4           H        LEU   4  -3.287   5.886  -1.633
   15    HA   LEU   4           HA       LEU   4  -2.774   7.218   0.964
   16   1HB   LEU   4          2HB       LEU   4  -2.670   4.282   0.198
   17   2HB   LEU   4          1HB       LEU   4  -2.845   4.951   1.818
   18    HG   LEU   4           HG       LEU   4  -4.855   5.006  -0.439
   19   1HD1  LEU   4          1HD1      LEU   4  -4.831   3.012   1.014
   20   2HD1  LEU   4          2HD1      LEU   4  -6.292   3.960   1.276
   21   3HD1  LEU   4          3HD1      LEU   4  -4.970   4.045   2.437
   22   1HD2  LEU   4          1HD2      LEU   4  -5.067   7.194   0.385
   23   2HD2  LEU   4          2HD2      LEU   4  -4.628   6.721   2.026
   24   3HD2  LEU   4          3HD2      LEU   4  -6.216   6.301   1.383
   25    HA   PRO   5           HA       PRO   5   1.595   7.210   0.588
   26   1HB   PRO   5          2HB       PRO   5   2.348   6.460   3.114
   27   2HB   PRO   5          1HB       PRO   5   1.666   8.060   2.747
   28   1HG   PRO   5          2HG       PRO   5   0.293   5.622   3.789
   29   2HG   PRO   5          1HG       PRO   5   0.175   7.293   4.363
   30   1HD   PRO   5          2HD       PRO   5  -1.713   6.240   2.812
   31   2HD   PRO   5          1HD       PRO   5  -1.197   7.931   2.599
   32    H    HIS   6           H        HIS   6   3.550   5.702   0.942
   33    HA   HIS   6           HA       HIS   6   2.801   3.017   0.180
   34   1HB   HIS   6          2HB       HIS   6   4.461   4.108  -1.152
   35   2HB   HIS   6          1HB       HIS   6   5.368   4.592   0.280
   36    HD1  HIS   6           1HD      HIS   6   7.495   3.276   0.197
   37    HD2  HIS   6           2HD      HIS   6   4.182   0.916  -0.699
   38    HE1  HIS   6           1HE      HIS   6   8.352   0.906  -0.054
   39    H    LEU   7           H        LEU   7   2.352   3.823   2.940
   40    HA   LEU   7           HA       LEU   7   3.609   1.583   4.226
   41   1HB   LEU   7          2HB       LEU   7   4.627   4.330   4.482
   42   2HB   LEU   7          1HB       LEU   7   4.449   3.460   6.009
   43    HG   LEU   7           HG       LEU   7   5.574   1.683   4.052
   44   1HD1  LEU   7          1HD1      LEU   7   6.250   4.112   3.225
   45   2HD1  LEU   7          2HD1      LEU   7   7.429   2.800   3.233
   46   3HD1  LEU   7          3HD1      LEU   7   7.423   3.988   4.537
   47   1HD2  LEU   7          1HD2      LEU   7   5.830   2.381   6.778
   48   2HD2  LEU   7          2HD2      LEU   7   7.428   2.611   6.068
   49   3HD2  LEU   7          3HD2      LEU   7   6.623   1.046   5.942
   50    H    LYS   8           H        LYS   8   0.893   3.129   3.830
   51    HA   LYS   8           HA       LYS   8   0.064   2.982   6.716
   52   1HB   LYS   8          2HB       LYS   8  -0.062   5.223   5.625
   53   2HB   LYS   8          1HB       LYS   8  -1.125   4.545   4.392
   54   1HG   LYS   8          2HG       LYS   8  -2.100   3.885   7.040
   55   2HG   LYS   8          1HG       LYS   8  -1.891   5.627   6.876
   56   1HD   LYS   8          2HD       LYS   8  -3.171   4.178   4.602
   57   2HD   LYS   8          1HD       LYS   8  -4.128   4.404   6.067
   58   1HE   LYS   8          2HE       LYS   8  -2.734   6.860   5.408
   59   2HE   LYS   8          1HE       LYS   8  -3.718   6.312   4.035
   60   1HZ   LYS   8          1HZ       LYS   8  -5.483   5.825   5.780
   61   2HZ   LYS   8          2HZ       LYS   8  -5.214   7.458   5.397
   62   3HZ   LYS   8          3HZ       LYS   8  -4.573   6.802   6.826
   63    H    ARG   9           H        ARG   9  -2.147   2.051   7.038
   64    HA   ARG   9           HA       ARG   9  -2.560  -0.339   5.554
   65   1HB   ARG   9          2HB       ARG   9  -3.392   0.546   7.910
   66   2HB   ARG   9          1HB       ARG   9  -4.798   1.065   6.979
   67   1HG   ARG   9          2HG       ARG   9  -4.484  -1.455   6.014
   68   2HG   ARG   9          1HG       ARG   9  -3.897  -1.674   7.662
   69   1HD   ARG   9          2HD       ARG   9  -6.018  -0.555   8.473
   70   2HD   ARG   9          1HD       ARG   9  -6.609  -0.626   6.801
   71    HE   ARG   9           HE       ARG   9  -5.970  -3.170   7.038
   72   1HH1  ARG   9          1HH2      ARG   9  -7.896  -1.136   8.966
   73   2HH1  ARG   9          2HH2      ARG   9  -8.356  -2.375  10.085
   74   1HH2  ARG   9          1HH1      ARG   9  -6.256  -4.769   8.715
   75   2HH2  ARG   9          2HH1      ARG   9  -7.428  -4.430   9.944
   76    H    CYS  10           H        CYS  10  -3.729  -0.732   3.682
   77    HA   CYS  10           HA       CYS  10  -5.154   1.632   2.496
   78   1HB   CYS  10          2HB       CYS  10  -4.321   0.897   0.375
   79   2HB   CYS  10          1HB       CYS  10  -2.965   0.794   1.497
   80    H    LYS  11           H        LYS  11  -7.089   1.203   1.316
   81    HA   LYS  11           HA       LYS  11  -8.615  -1.132   2.267
   82   1HB   LYS  11          2HB       LYS  11  -9.066   1.501   0.963
   83   2HB   LYS  11          1HB       LYS  11 -10.235   0.242   0.561
   84   1HG   LYS  11          2HG       LYS  11  -9.460   1.086   3.369
   85   2HG   LYS  11          1HG       LYS  11 -10.956   1.528   2.546
   86   1HD   LYS  11          2HD       LYS  11 -11.255  -1.048   2.234
   87   2HD   LYS  11          1HD       LYS  11 -10.081  -1.172   3.544
   88   1HE   LYS  11          2HE       LYS  11 -11.939  -1.004   4.884
   89   2HE   LYS  11          1HE       LYS  11 -11.800   0.732   4.537
   90   1HZ   LYS  11          1HZ       LYS  11 -13.969   0.124   3.885
   91   2HZ   LYS  11          2HZ       LYS  11 -13.433  -1.288   3.106
   92   3HZ   LYS  11          3HZ       LYS  11 -13.083   0.238   2.443
   93    H    ALA  12           H        ALA  12  -7.068   0.037  -0.667
   94    HA   ALA  12           HA       ALA  12  -7.563  -2.605  -1.953
   95   1HB   ALA  12          1HB       ALA  12  -7.910  -0.048  -3.505
   96   2HB   ALA  12          2HB       ALA  12  -9.244  -0.663  -2.528
   97   3HB   ALA  12          3HB       ALA  12  -8.584  -1.644  -3.837
   98    H    ASP  13           H        ASP  13  -5.782  -3.272  -3.161
   99    HA   ASP  13           HA       ASP  13  -3.222  -2.349  -2.790
  100   1HB   ASP  13          2HB       ASP  13  -4.454  -3.475  -5.322
  101   2HB   ASP  13          1HB       ASP  13  -2.729  -3.511  -4.929
  102    H    ASN  14           H        ASN  14  -5.614  -1.014  -5.025
  103    HA   ASN  14           HA       ASN  14  -3.679   0.750  -6.353
  104   1HB   ASN  14          2HB       ASN  14  -5.966  -0.385  -7.115
  105   2HB   ASN  14          1HB       ASN  14  -6.647   1.114  -6.480
  106   1HD2  ASN  14          1HD2      ASN  14  -7.163   1.374  -8.937
  107   2HD2  ASN  14          2HD2      ASN  14  -5.971   2.120  -9.889
  108    H    ASP  15           H        ASP  15  -5.416   0.892  -3.403
  109    HA   ASP  15           HA       ASP  15  -6.046   3.684  -3.303
  110   1HB   ASP  15          2HB       ASP  15  -6.222   1.391  -1.714
  111   2HB   ASP  15          1HB       ASP  15  -5.400   2.603  -0.733
  112    H    CYS  16           H        CYS  16  -3.090   1.889  -2.661
  113    HA   CYS  16           HA       CYS  16  -1.675   4.096  -1.334
  114   1HB   CYS  16          2HB       CYS  16  -0.676   1.577  -2.727
  115   2HB   CYS  16          1HB       CYS  16   0.199   2.531  -1.519
  116    H    CYS  17           H        CYS  17   0.097   5.289  -2.342
  117    HA   CYS  17           HA       CYS  17  -0.349   5.937  -5.157
  118   1HB   CYS  17          2HB       CYS  17   0.891   7.061  -2.843
  119   2HB   CYS  17          1HB       CYS  17   2.046   7.018  -4.172
  120    H    GLY  18           H        GLY  18   1.478   3.615  -3.438
  121   1HA   GLY  18          2HA       GLY  18   3.601   3.408  -5.472
  122   2HA   GLY  18          1HA       GLY  18   3.381   2.334  -4.084
  123    H    LYS  19           H        LYS  19   0.399   2.344  -4.976
  124    HA   LYS  19           HA       LYS  19  -1.001   0.986  -6.281
  125   1HB   LYS  19          2HB       LYS  19   0.688   2.183  -7.980
  126   2HB   LYS  19          1HB       LYS  19   1.241   0.524  -8.211
  127   1HG   LYS  19          2HG       LYS  19  -1.159  -0.136  -8.618
  128   2HG   LYS  19          1HG       LYS  19  -1.575   1.578  -8.591
  129   1HD   LYS  19          2HD       LYS  19  -1.234   1.258 -10.869
  130   2HD   LYS  19          1HD       LYS  19   0.380   1.759 -10.363
  131   1HE   LYS  19          2HE       LYS  19   1.276  -0.336 -10.689
  132   2HE   LYS  19          1HE       LYS  19  -0.212  -1.160 -10.186
  133   1HZ   LYS  19          1HZ       LYS  19   0.608  -0.418 -12.803
  134   2HZ   LYS  19          2HZ       LYS  19  -0.875   0.320 -12.426
  135   3HZ   LYS  19          3HZ       LYS  19  -0.714  -1.368 -12.330
  136    H    LYS  20           H        LYS  20   1.519  -0.026  -4.558
  137    HA   LYS  20           HA       LYS  20   1.015  -2.903  -5.201
  138   1HB   LYS  20          2HB       LYS  20   3.501  -1.302  -5.129
  139   2HB   LYS  20          1HB       LYS  20   3.595  -2.834  -4.259
  140   1HG   LYS  20          2HG       LYS  20   2.382  -2.782  -7.006
  141   2HG   LYS  20          1HG       LYS  20   4.138  -2.760  -6.839
  142   1HD   LYS  20          2HD       LYS  20   3.322  -4.731  -5.045
  143   2HD   LYS  20          1HD       LYS  20   2.271  -4.966  -6.442
  144   1HE   LYS  20          2HE       LYS  20   4.806  -4.496  -7.553
  145   2HE   LYS  20          1HE       LYS  20   5.104  -5.577  -6.178
  146   1HZ   LYS  20          1HZ       LYS  20   3.510  -7.101  -6.947
  147   2HZ   LYS  20          2HZ       LYS  20   4.408  -6.683  -8.328
  148   3HZ   LYS  20          3HZ       LYS  20   2.871  -6.008  -8.075
  149    H    CYS  21           H        CYS  21  -0.586  -2.270  -3.343
  150    HA   CYS  21           HA       CYS  21   0.588  -1.855  -0.708
  151   1HB   CYS  21          2HB       CYS  21  -1.727  -1.184  -1.644
  152   2HB   CYS  21          1HB       CYS  21  -2.193  -2.860  -1.330
  153    H    LYS  22           H        LYS  22   0.344  -3.559   1.043
  154    HA   LYS  22           HA       LYS  22   0.424  -6.326  -0.118
  155   1HB   LYS  22          2HB       LYS  22   2.133  -4.883   1.897
  156   2HB   LYS  22          1HB       LYS  22   2.049  -6.646   1.896
  157   1HG   LYS  22          2HG       LYS  22   2.612  -6.557  -0.582
  158   2HG   LYS  22          1HG       LYS  22   2.968  -4.843  -0.354
  159   1HD   LYS  22          2HD       LYS  22   4.492  -5.632   1.589
  160   2HD   LYS  22          1HD       LYS  22   4.369  -7.227   0.846
  161   1HE   LYS  22          2HE       LYS  22   4.913  -5.356  -1.246
  162   2HE   LYS  22          1HE       LYS  22   6.073  -5.062   0.066
  163   1HZ   LYS  22          1HZ       LYS  22   5.388  -7.812  -0.763
  164   2HZ   LYS  22          2HZ       LYS  22   6.766  -7.261   0.065
  165   3HZ   LYS  22          3HZ       LYS  22   6.583  -6.939  -1.593
  166    H    ARG  23           H        ARG  23  -0.105  -8.029   1.506
  167    HA   ARG  23           HA       ARG  23  -2.088  -7.126   3.536
  168   1HB   ARG  23          2HB       ARG  23  -3.467  -8.881   2.894
  169   2HB   ARG  23          1HB       ARG  23  -2.728  -8.452   1.367
  170   1HG   ARG  23          2HG       ARG  23  -2.117 -10.610   1.186
  171   2HG   ARG  23          1HG       ARG  23  -0.936 -10.286   2.452
  172   1HD   ARG  23          2HD       ARG  23  -2.528 -12.251   2.897
  173   2HD   ARG  23          1HD       ARG  23  -2.476 -11.026   4.175
  174    HE   ARG  23           HE       ARG  23  -4.535 -10.831   2.021
  175   1HH1  ARG  23          1HH2      ARG  23  -5.084 -12.740   4.350
  176   2HH1  ARG  23          2HH2      ARG  23  -6.003 -11.717   5.403
  177   1HH2  ARG  23          1HH1      ARG  23  -5.084  -8.784   3.800
  178   2HH2  ARG  23          2HH1      ARG  23  -6.005  -9.480   5.091
  179    H    ARG  24           H        ARG  24  -2.339  -9.390   5.047
  180    HA   ARG  24           HA       ARG  24   0.375  -9.686   6.210
  181   1HB   ARG  24          2HB       ARG  24  -1.899  -9.205   7.415
  182   2HB   ARG  24          1HB       ARG  24  -2.158 -10.940   7.248
  183   1HG   ARG  24          2HG       ARG  24  -0.305 -11.475   8.589
  184   2HG   ARG  24          1HG       ARG  24   0.429  -9.887   8.371
  185   1HD   ARG  24          2HD       ARG  24  -0.442  -9.647  10.520
  186   2HD   ARG  24          1HD       ARG  24  -1.831  -9.088   9.566
  187    HE   ARG  24           HE       ARG  24  -1.604 -11.985  10.239
  188   1HH1  ARG  24          1HH1      ARG  24  -2.628  -9.772  12.251
  189   2HH1  ARG  24          2HH1      ARG  24  -4.333 -10.038  12.105
  190   1HH2  ARG  24          1HH2      ARG  24  -4.057 -11.979   9.247
  191   2HH2  ARG  24          2HH2      ARG  24  -5.142 -11.288  10.407
  192    H    GLY  25           H        GLY  25   0.277 -10.938   3.766
  193   1HA   GLY  25          2HA       GLY  25   1.025 -13.620   4.368
  194   2HA   GLY  25          1HA       GLY  25  -0.618 -13.635   3.726
  195    H    THR  26           H        THR  26  -0.894 -12.394   1.607
  196    HA   THR  26           HA       THR  26   1.587 -12.301  -0.039
  197    HB   THR  26           HB       THR  26   0.788 -14.572  -0.267
  198    HG1  THR  26           1HG      THR  26  -0.104 -14.376  -2.520
  199   1HG2  THR  26          1HG2      THR  26  -1.510 -14.065   0.615
  200   2HG2  THR  26          2HG2      THR  26  -1.507 -15.120  -0.797
  201   3HG2  THR  26          3HG2      THR  26  -1.920 -13.414  -0.972
  202    H    ASN  27           H        ASN  27   0.704  -9.968   0.436
  203    HA   ASN  27           HA       ASN  27  -0.327  -8.003  -0.326
  204   1HB   ASN  27          2HB       ASN  27  -0.129  -7.710  -2.646
  205   2HB   ASN  27          1HB       ASN  27   1.056  -8.961  -2.278
  206   1HD2  ASN  27          1HD2      ASN  27  -2.414  -8.679  -3.250
  207   2HD2  ASN  27          2HD2      ASN  27  -2.392 -10.055  -4.244
  208    H    ALA  28           H        ALA  28  -2.359  -7.116  -0.418
  209    HA   ALA  28           HA       ALA  28  -4.666  -8.102  -1.676
  210   1HB   ALA  28          1HB       ALA  28  -3.775  -9.733   0.503
  211   2HB   ALA  28          2HB       ALA  28  -5.207  -9.952  -0.501
  212   3HB   ALA  28          3HB       ALA  28  -5.301  -8.980   0.967
  213    H    GLU  29           H        GLU  29  -3.851  -7.041   1.665
  214    HA   GLU  29           HA       GLU  29  -4.868  -4.389   1.271
  215   1HB   GLU  29          2HB       GLU  29  -6.969  -5.587   0.947
  216   2HB   GLU  29          1HB       GLU  29  -6.759  -6.416   2.488
  217   1HG   GLU  29          2HG       GLU  29  -7.352  -4.576   3.715
  218   2HG   GLU  29          1HG       GLU  29  -6.640  -3.449   2.560
  219    H    LYS  30           H        LYS  30  -2.603  -5.074   2.711
  220    HA   LYS  30           HA       LYS  30  -3.493  -4.735   5.542
  221   1HB   LYS  30          2HB       LYS  30  -1.061  -5.987   4.337
  222   2HB   LYS  30          1HB       LYS  30  -0.945  -5.238   5.923
  223   1HG   LYS  30          2HG       LYS  30  -2.837  -7.465   5.123
  224   2HG   LYS  30          1HG       LYS  30  -1.500  -7.563   6.267
  225   1HD   LYS  30          2HD       LYS  30  -3.012  -5.432   7.215
  226   2HD   LYS  30          1HD       LYS  30  -4.227  -6.590   6.674
  227   1HE   LYS  30          2HE       LYS  30  -3.397  -8.299   8.121
  228   2HE   LYS  30          1HE       LYS  30  -1.896  -7.403   8.434
  229   1HZ   LYS  30          1HZ       LYS  30  -4.649  -6.676   9.261
  230   2HZ   LYS  30          2HZ       LYS  30  -3.360  -5.570   9.290
  231   3HZ   LYS  30          3HZ       LYS  30  -3.308  -6.965  10.259
  232    H    ARG  31           H        ARG  31  -0.348  -3.884   4.211
  233    HA   ARG  31           HA       ARG  31  -1.034  -0.993   4.645
  234   1HB   ARG  31          2HB       ARG  31   1.009  -2.756   5.858
  235   2HB   ARG  31          1HB       ARG  31   1.612  -1.184   5.330
  236   1HG   ARG  31          2HG       ARG  31  -0.784  -0.534   6.553
  237   2HG   ARG  31          1HG       ARG  31  -0.171  -1.839   7.570
  238   1HD   ARG  31          2HD       ARG  31   1.934  -0.667   7.911
  239   2HD   ARG  31          1HD       ARG  31   1.460   0.594   6.755
  240    HE   ARG  31           HE       ARG  31  -0.625   0.480   8.626
  241   1HH1  ARG  31          1HH1      ARG  31   2.542   1.652   8.187
  242   2HH1  ARG  31          2HH1      ARG  31   2.626   2.449   9.723
  243   1HH2  ARG  31          1HH2      ARG  31  -0.438   1.251  10.812
  244   2HH2  ARG  31          2HH2      ARG  31   0.939   2.222  11.208
  245    H    CYS  32           H        CYS  32  -0.074   0.442   3.144
  246    HA   CYS  32           HA       CYS  32   0.540  -0.468   0.540
  247   1HB   CYS  32          2HB       CYS  32   1.454   2.046   1.980
  248   2HB   CYS  32          1HB       CYS  32   1.382   1.835   0.228
  249    H    ARG  33           H        ARG  33   2.325  -1.548  -0.214
  250    HA   ARG  33           HA       ARG  33   5.004  -0.920   0.883
  251   1HB   ARG  33          2HB       ARG  33   3.594  -3.598   1.082
  252   2HB   ARG  33          1HB       ARG  33   5.331  -3.406   1.322
  253   1HG   ARG  33          2HG       ARG  33   4.890  -1.780   3.137
  254   2HG   ARG  33          1HG       ARG  33   3.158  -2.016   2.917
  255   1HD   ARG  33          2HD       ARG  33   4.006  -4.610   3.185
  256   2HD   ARG  33          1HD       ARG  33   5.113  -3.754   4.279
  257    HE   ARG  33           HE       ARG  33   2.215  -3.091   4.424
  258   1HH1  ARG  33          1HH2      ARG  33   4.808  -2.663   6.264
  259   2HH1  ARG  33          2HH2      ARG  33   4.290  -3.576   7.642
  260   1HH2  ARG  33          1HH1      ARG  33   1.638  -5.072   5.982
  261   2HH2  ARG  33          2HH1      ARG  33   2.496  -4.943   7.481
  Start of MODEL    5
    1   1H    GLY   1          1HT       GLY   1  -2.098  14.594  -4.098
    2   2H    GLY   1          2HT       GLY   1  -2.029  14.994  -5.747
    3   3H    GLY   1          3HT       GLY   1  -0.595  14.791  -4.859
    4   1HA   GLY   1          2HA       GLY   1  -1.414  12.898  -6.401
    5   2HA   GLY   1          1HA       GLY   1  -0.756  12.515  -4.808
    6    H    ASP   2           H        ASP   2  -2.988  11.311  -6.608
    7    HA   ASP   2           HA       ASP   2  -5.257  11.453  -4.671
    8   1HB   ASP   2          2HB       ASP   2  -6.448  10.324  -6.590
    9   2HB   ASP   2          1HB       ASP   2  -5.768  11.900  -7.000
   10    H    CYS   3           H        CYS   3  -3.293  10.045  -3.485
   11    HA   CYS   3           HA       CYS   3  -4.361   7.305  -3.417
   12   1HB   CYS   3          2HB       CYS   3  -2.051   6.371  -3.898
   13   2HB   CYS   3          1HB       CYS   3  -2.848   7.117  -5.285
   14    H    LEU   4           H        LEU   4  -2.733   6.002  -1.839
   15    HA   LEU   4           HA       LEU   4  -2.283   7.805   0.504
   16   1HB   LEU   4          2HB       LEU   4  -2.542   4.785   0.334
   17   2HB   LEU   4          1HB       LEU   4  -2.604   5.759   1.798
   18    HG   LEU   4           HG       LEU   4  -4.527   6.505  -0.336
   19   1HD1  LEU   4          1HD1      LEU   4  -5.456   4.285   1.374
   20   2HD1  LEU   4          2HD1      LEU   4  -4.276   3.825   0.147
   21   3HD1  LEU   4          3HD1      LEU   4  -5.782   4.608  -0.328
   22   1HD2  LEU   4          1HD2      LEU   4  -4.249   7.444   2.074
   23   2HD2  LEU   4          2HD2      LEU   4  -5.051   5.959   2.584
   24   3HD2  LEU   4          3HD2      LEU   4  -5.880   7.084   1.509
   25    HA   PRO   5           HA       PRO   5   2.070   7.180   0.466
   26   1HB   PRO   5          2HB       PRO   5   2.618   6.611   3.089
   27   2HB   PRO   5          1HB       PRO   5   2.150   8.235   2.535
   28   1HG   PRO   5          2HG       PRO   5   0.432   6.085   3.716
   29   2HG   PRO   5          1HG       PRO   5   0.516   7.802   4.147
   30   1HD   PRO   5          2HD       PRO   5  -1.430   6.896   2.600
   31   2HD   PRO   5          1HD       PRO   5  -0.660   8.461   2.248
   32    H    HIS   6           H        HIS   6   3.784   5.486   0.832
   33    HA   HIS   6           HA       HIS   6   2.695   2.824   0.548
   34   1HB   HIS   6          2HB       HIS   6   4.741   2.319  -0.459
   35   2HB   HIS   6          1HB       HIS   6   4.603   4.043  -0.789
   36    HD1  HIS   6           1HD      HIS   6   6.225   5.627   0.436
   37    HD2  HIS   6           2HD      HIS   6   6.643   1.649   1.587
   38    HE1  HIS   6           1HE      HIS   6   8.344   5.486   1.811
   39    H    LEU   7           H        LEU   7   2.375   3.954   3.119
   40    HA   LEU   7           HA       LEU   7   3.694   1.960   4.740
   41   1HB   LEU   7          2HB       LEU   7   4.846   4.463   4.360
   42   2HB   LEU   7          1HB       LEU   7   4.016   4.619   5.906
   43    HG   LEU   7           HG       LEU   7   6.378   3.823   6.125
   44   1HD1  LEU   7          1HD1      LEU   7   4.006   2.723   7.295
   45   2HD1  LEU   7          2HD1      LEU   7   5.600   2.907   8.024
   46   3HD1  LEU   7          3HD1      LEU   7   5.197   1.436   7.137
   47   1HD2  LEU   7          1HD2      LEU   7   5.378   1.243   4.902
   48   2HD2  LEU   7          2HD2      LEU   7   7.030   1.662   5.347
   49   3HD2  LEU   7          3HD2      LEU   7   6.262   2.455   3.975
   50    H    LYS   8           H        LYS   8   0.939   2.798   3.948
   51    HA   LYS   8           HA       LYS   8  -0.177   3.095   6.711
   52   1HB   LYS   8          2HB       LYS   8  -0.083   5.225   5.278
   53   2HB   LYS   8          1HB       LYS   8  -1.280   4.451   4.239
   54   1HG   LYS   8          2HG       LYS   8  -2.685   4.095   6.334
   55   2HG   LYS   8          1HG       LYS   8  -1.562   5.176   7.162
   56   1HD   LYS   8          2HD       LYS   8  -2.662   6.952   6.332
   57   2HD   LYS   8          1HD       LYS   8  -2.294   6.408   4.694
   58   1HE   LYS   8          2HE       LYS   8  -4.508   6.011   4.414
   59   2HE   LYS   8          1HE       LYS   8  -4.374   4.721   5.626
   60   1HZ   LYS   8          1HZ       LYS   8  -4.588   6.428   7.362
   61   2HZ   LYS   8          2HZ       LYS   8  -5.967   6.356   6.370
   62   3HZ   LYS   8          3HZ       LYS   8  -4.835   7.608   6.168
   63    H    ARG   9           H        ARG   9  -2.251   2.036   6.959
   64    HA   ARG   9           HA       ARG   9  -2.612  -0.358   5.478
   65   1HB   ARG   9          2HB       ARG   9  -3.477  -0.034   7.726
   66   2HB   ARG   9          1HB       ARG   9  -4.494   1.304   7.183
   67   1HG   ARG   9          2HG       ARG   9  -6.114  -0.266   6.944
   68   2HG   ARG   9          1HG       ARG   9  -5.246  -0.725   5.478
   69   1HD   ARG   9          2HD       ARG   9  -3.803  -2.213   7.081
   70   2HD   ARG   9          1HD       ARG   9  -5.177  -2.035   8.192
   71    HE   ARG   9           HE       ARG   9  -5.366  -3.196   5.442
   72   1HH1  ARG   9          1HH1      ARG   9  -5.947  -3.675   8.703
   73   2HH1  ARG   9          2HH1      ARG   9  -7.558  -4.283   8.513
   74   1HH2  ARG   9          1HH2      ARG   9  -7.728  -3.530   5.134
   75   2HH2  ARG   9          2HH2      ARG   9  -8.566  -4.203   6.493
   76    H    CYS  10           H        CYS  10  -4.078  -0.887   3.786
   77    HA   CYS  10           HA       CYS  10  -5.416   1.444   2.455
   78   1HB   CYS  10          2HB       CYS  10  -4.538   0.684   0.358
   79   2HB   CYS  10          1HB       CYS  10  -3.187   0.635   1.488
   80    H    LYS  11           H        LYS  11  -7.442   0.971   1.528
   81    HA   LYS  11           HA       LYS  11  -8.715  -1.543   2.394
   82   1HB   LYS  11          2HB       LYS  11  -9.838   0.638   2.608
   83   2HB   LYS  11          1HB       LYS  11  -9.695   0.894   0.869
   84   1HG   LYS  11          2HG       LYS  11 -11.146  -0.990   0.410
   85   2HG   LYS  11          1HG       LYS  11 -11.172  -1.439   2.115
   86   1HD   LYS  11          2HD       LYS  11 -13.205  -0.260   1.774
   87   2HD   LYS  11          1HD       LYS  11 -12.133   0.910   2.544
   88   1HE   LYS  11          2HE       LYS  11 -12.743   2.250   0.782
   89   2HE   LYS  11          1HE       LYS  11 -11.542   1.299  -0.115
   90   1HZ   LYS  11          1HZ       LYS  11 -13.545  -0.378  -0.236
   91   2HZ   LYS  11          2HZ       LYS  11 -13.378   0.873  -1.375
   92   3HZ   LYS  11          3HZ       LYS  11 -14.461   1.041  -0.076
   93    H    ALA  12           H        ALA  12  -7.057  -0.362  -0.349
   94    HA   ALA  12           HA       ALA  12  -7.673  -2.800  -1.876
   95   1HB   ALA  12          1HB       ALA  12  -8.472  -1.375  -3.833
   96   2HB   ALA  12          2HB       ALA  12  -8.562  -0.023  -2.705
   97   3HB   ALA  12          3HB       ALA  12  -9.579  -1.444  -2.461
   98    H    ASP  13           H        ASP  13  -5.874  -3.318  -3.089
   99    HA   ASP  13           HA       ASP  13  -3.370  -2.224  -2.895
  100   1HB   ASP  13          2HB       ASP  13  -4.670  -3.314  -5.409
  101   2HB   ASP  13          1HB       ASP  13  -2.938  -3.325  -5.051
  102    H    ASN  14           H        ASN  14  -6.011  -0.973  -4.866
  103    HA   ASN  14           HA       ASN  14  -4.292   0.953  -6.280
  104   1HB   ASN  14          2HB       ASN  14  -7.306   0.646  -6.140
  105   2HB   ASN  14          1HB       ASN  14  -6.408   1.558  -7.353
  106   1HD2  ASN  14          1HD2      ASN  14  -5.884   0.412  -9.226
  107   2HD2  ASN  14          2HD2      ASN  14  -5.854  -1.281  -9.352
  108    H    ASP  15           H        ASP  15  -5.023   0.978  -3.162
  109    HA   ASP  15           HA       ASP  15  -6.108   3.735  -3.008
  110   1HB   ASP  15          2HB       ASP  15  -6.299   1.386  -1.515
  111   2HB   ASP  15          1HB       ASP  15  -5.460   2.527  -0.484
  112    H    CYS  16           H        CYS  16  -3.159   1.932  -2.589
  113    HA   CYS  16           HA       CYS  16  -1.698   3.998  -1.102
  114   1HB   CYS  16          2HB       CYS  16  -0.778   1.593  -2.721
  115   2HB   CYS  16          1HB       CYS  16   0.135   2.415  -1.452
  116    H    CYS  17           H        CYS  17   0.361   4.885  -2.118
  117    HA   CYS  17           HA       CYS  17  -0.253   6.080  -4.739
  118   1HB   CYS  17          2HB       CYS  17   1.841   6.426  -2.593
  119   2HB   CYS  17          1HB       CYS  17   1.973   7.245  -4.152
  120    H    GLY  18           H        GLY  18   1.491   3.361  -3.528
  121   1HA   GLY  18          2HA       GLY  18   3.270   3.353  -5.922
  122   2HA   GLY  18          1HA       GLY  18   3.456   2.310  -4.510
  123    H    LYS  19           H        LYS  19   0.239   2.292  -5.009
  124    HA   LYS  19           HA       LYS  19  -1.229   0.712  -5.984
  125   1HB   LYS  19          2HB       LYS  19   0.266   1.812  -7.959
  126   2HB   LYS  19          1HB       LYS  19   0.767   0.128  -8.119
  127   1HG   LYS  19          2HG       LYS  19  -2.130   0.445  -7.764
  128   2HG   LYS  19          1HG       LYS  19  -1.517   1.215  -9.228
  129   1HD   LYS  19          2HD       LYS  19  -0.848  -1.632  -8.443
  130   2HD   LYS  19          1HD       LYS  19  -2.181  -1.209  -9.518
  131   1HE   LYS  19          2HE       LYS  19   0.648  -0.264 -10.048
  132   2HE   LYS  19          1HE       LYS  19   0.028  -1.802 -10.681
  133   1HZ   LYS  19          1HZ       LYS  19  -0.472  -0.163 -12.297
  134   2HZ   LYS  19          2HZ       LYS  19  -1.074   0.916 -11.130
  135   3HZ   LYS  19          3HZ       LYS  19  -1.931  -0.503 -11.503
  136    H    LYS  20           H        LYS  20   1.357   0.027  -4.330
  137    HA   LYS  20           HA       LYS  20   1.221  -2.920  -4.831
  138   1HB   LYS  20          2HB       LYS  20   3.677  -2.807  -4.040
  139   2HB   LYS  20          1HB       LYS  20   3.333  -2.174  -5.649
  140   1HG   LYS  20          2HG       LYS  20   3.298   0.102  -4.812
  141   2HG   LYS  20          1HG       LYS  20   3.444  -0.467  -3.148
  142   1HD   LYS  20          2HD       LYS  20   5.645  -1.521  -3.783
  143   2HD   LYS  20          1HD       LYS  20   5.513  -0.718  -5.348
  144   1HE   LYS  20          2HE       LYS  20   5.009   1.322  -3.495
  145   2HE   LYS  20          1HE       LYS  20   6.354   0.400  -2.795
  146   1HZ   LYS  20          1HZ       LYS  20   6.300   1.052  -5.673
  147   2HZ   LYS  20          2HZ       LYS  20   7.631   0.643  -4.699
  148   3HZ   LYS  20          3HZ       LYS  20   6.903   2.170  -4.550
  149    H    CYS  21           H        CYS  21  -0.524  -2.535  -3.074
  150    HA   CYS  21           HA       CYS  21   0.473  -1.907  -0.398
  151   1HB   CYS  21          2HB       CYS  21  -1.877  -1.579  -1.496
  152   2HB   CYS  21          1HB       CYS  21  -2.140  -3.266  -1.041
  153    H    LYS  22           H        LYS  22   1.243  -3.509   1.058
  154    HA   LYS  22           HA       LYS  22   1.367  -6.277  -0.017
  155   1HB   LYS  22          2HB       LYS  22   2.827  -4.675   2.066
  156   2HB   LYS  22          1HB       LYS  22   3.030  -6.422   1.967
  157   1HG   LYS  22          2HG       LYS  22   3.219  -5.415  -0.679
  158   2HG   LYS  22          1HG       LYS  22   4.229  -4.385   0.334
  159   1HD   LYS  22          2HD       LYS  22   5.155  -6.567   1.332
  160   2HD   LYS  22          1HD       LYS  22   4.404  -7.373  -0.044
  161   1HE   LYS  22          2HE       LYS  22   5.658  -5.762  -1.555
  162   2HE   LYS  22          1HE       LYS  22   6.558  -5.238  -0.117
  163   1HZ   LYS  22          1HZ       LYS  22   7.814  -7.004  -0.949
  164   2HZ   LYS  22          2HZ       LYS  22   6.442  -7.933  -1.334
  165   3HZ   LYS  22          3HZ       LYS  22   6.899  -7.719   0.288
  166    H    ARG  23           H        ARG  23  -0.327  -7.510   0.570
  167    HA   ARG  23           HA       ARG  23  -1.819  -7.263   3.033
  168   1HB   ARG  23          2HB       ARG  23  -3.315  -8.472   1.841
  169   2HB   ARG  23          1HB       ARG  23  -2.238  -8.153   0.492
  170   1HG   ARG  23          2HG       ARG  23  -2.395 -10.452   0.333
  171   2HG   ARG  23          1HG       ARG  23  -1.001 -10.326   1.406
  172   1HD   ARG  23          2HD       ARG  23  -2.209 -11.668   2.810
  173   2HD   ARG  23          1HD       ARG  23  -3.152 -10.209   3.165
  174    HE   ARG  23           HE       ARG  23  -4.223 -11.188   0.785
  175   1HH1  ARG  23          1HH2      ARG  23  -3.574 -12.479   3.918
  176   2HH1  ARG  23          2HH2      ARG  23  -4.982 -13.486   3.937
  177   1HH2  ARG  23          1HH1      ARG  23  -6.104 -12.443   0.829
  178   2HH2  ARG  23          2HH1      ARG  23  -6.412 -13.467   2.193
  179    H    ARG  24           H        ARG  24  -2.106  -9.357   4.417
  180    HA   ARG  24           HA       ARG  24   0.560 -10.301   5.226
  181   1HB   ARG  24          2HB       ARG  24  -1.045  -9.712   6.926
  182   2HB   ARG  24          1HB       ARG  24  -2.277 -10.743   6.199
  183   1HG   ARG  24          2HG       ARG  24  -1.517 -12.548   7.313
  184   2HG   ARG  24          1HG       ARG  24   0.130 -12.262   6.751
  185   1HD   ARG  24          2HD       ARG  24  -0.453 -10.252   8.690
  186   2HD   ARG  24          1HD       ARG  24  -0.926 -11.818   9.378
  187    HE   ARG  24           HE       ARG  24   1.570 -12.138   8.030
  188   1HH1  ARG  24          1HH1      ARG  24   0.991 -13.047  10.844
  189   2HH1  ARG  24          2HH1      ARG  24   2.068 -12.053  11.767
  190   1HH2  ARG  24          1HH2      ARG  24   2.619  -9.800   9.190
  191   2HH2  ARG  24          2HH2      ARG  24   2.990 -10.215  10.830
  192    H    GLY  25           H        GLY  25   0.284 -11.251   2.705
  193   1HA   GLY  25          2HA       GLY  25   0.563 -14.056   2.937
  194   2HA   GLY  25          1HA       GLY  25  -1.097 -13.747   2.424
  195    H    THR  26           H        THR  26  -1.380 -12.453   0.431
  196    HA   THR  26           HA       THR  26   0.997 -12.353  -1.364
  197    HB   THR  26           HB       THR  26  -0.052 -14.578  -1.600
  198    HG1  THR  26           1HG      THR  26   0.536 -12.997  -3.476
  199   1HG2  THR  26          1HG2      THR  26  -2.552 -13.142  -2.501
  200   2HG2  THR  26          2HG2      THR  26  -2.331 -13.693  -0.840
  201   3HG2  THR  26          3HG2      THR  26  -2.346 -14.861  -2.163
  202    H    ASN  27           H        ASN  27   0.054 -10.051  -0.458
  203    HA   ASN  27           HA       ASN  27  -0.896  -7.988  -1.094
  204   1HB   ASN  27          2HB       ASN  27   0.328  -8.338  -3.116
  205   2HB   ASN  27          1HB       ASN  27  -0.837  -9.530  -3.687
  206   1HD2  ASN  27          1HD2      ASN  27  -2.744  -8.763  -4.735
  207   2HD2  ASN  27          2HD2      ASN  27  -3.050  -7.117  -5.011
  208    H    ALA  28           H        ALA  28  -2.939  -7.119  -1.005
  209    HA   ALA  28           HA       ALA  28  -5.301  -8.066  -2.197
  210   1HB   ALA  28          1HB       ALA  28  -6.197  -9.213  -0.016
  211   2HB   ALA  28          2HB       ALA  28  -4.489  -9.388   0.383
  212   3HB   ALA  28          3HB       ALA  28  -5.134 -10.134  -1.080
  213    H    GLU  29           H        GLU  29  -4.141  -7.027   1.022
  214    HA   GLU  29           HA       GLU  29  -5.145  -4.384   0.874
  215   1HB   GLU  29          2HB       GLU  29  -7.260  -4.787   2.277
  216   2HB   GLU  29          1HB       GLU  29  -7.333  -5.252   0.582
  217   1HG   GLU  29          2HG       GLU  29  -6.843  -7.585   1.179
  218   2HG   GLU  29          1HG       GLU  29  -6.703  -7.132   2.878
  219    H    LYS  30           H        LYS  30  -2.970  -4.590   2.188
  220    HA   LYS  30           HA       LYS  30  -3.728  -4.749   5.055
  221   1HB   LYS  30          2HB       LYS  30  -1.390  -5.861   3.664
  222   2HB   LYS  30          1HB       LYS  30  -1.208  -5.326   5.326
  223   1HG   LYS  30          2HG       LYS  30  -3.142  -7.421   4.288
  224   2HG   LYS  30          1HG       LYS  30  -1.788  -7.678   5.385
  225   1HD   LYS  30          2HD       LYS  30  -4.317  -6.105   5.965
  226   2HD   LYS  30          1HD       LYS  30  -3.853  -7.652   6.658
  227   1HE   LYS  30          2HE       LYS  30  -1.714  -5.739   7.049
  228   2HE   LYS  30          1HE       LYS  30  -3.239  -5.112   7.708
  229   1HZ   LYS  30          1HZ       LYS  30  -2.553  -6.478   9.408
  230   2HZ   LYS  30          2HZ       LYS  30  -1.813  -7.598   8.367
  231   3HZ   LYS  30          3HZ       LYS  30  -3.506  -7.556   8.510
  232    H    ARG  31           H        ARG  31  -0.583  -3.852   3.787
  233    HA   ARG  31           HA       ARG  31  -1.215  -0.985   4.407
  234   1HB   ARG  31          2HB       ARG  31  -0.091  -2.179   6.307
  235   2HB   ARG  31          1HB       ARG  31   1.277  -2.498   5.242
  236   1HG   ARG  31          2HG       ARG  31   1.063   0.147   4.847
  237   2HG   ARG  31          1HG       ARG  31   0.395   0.063   6.476
  238   1HD   ARG  31          2HD       ARG  31   2.582  -1.556   6.749
  239   2HD   ARG  31          1HD       ARG  31   3.178  -0.373   5.567
  240    HE   ARG  31           HE       ARG  31   2.686   1.404   7.160
  241   1HH1  ARG  31          1HH1      ARG  31   0.394  -0.152   8.489
  242   2HH1  ARG  31          2HH1      ARG  31   1.066  -0.435  10.060
  243   1HH2  ARG  31          1HH2      ARG  31   4.311   0.331   9.101
  244   2HH2  ARG  31          2HH2      ARG  31   3.286  -0.165  10.406
  245    H    CYS  32           H        CYS  32  -0.087   0.508   3.127
  246    HA   CYS  32           HA       CYS  32   0.852  -0.399   0.544
  247   1HB   CYS  32          2HB       CYS  32   1.238   2.290   1.884
  248   2HB   CYS  32          1HB       CYS  32   1.122   1.962   0.152
  249    H    ARG  33           H        ARG  33   2.980  -0.844  -0.093
  250    HA   ARG  33           HA       ARG  33   5.239   0.177   1.554
  251   1HB   ARG  33          2HB       ARG  33   4.950  -2.796   1.034
  252   2HB   ARG  33          1HB       ARG  33   6.005  -1.989   2.193
  253   1HG   ARG  33          2HG       ARG  33   3.996  -1.242   3.461
  254   2HG   ARG  33          1HG       ARG  33   2.980  -2.136   2.331
  255   1HD   ARG  33          2HD       ARG  33   4.640  -4.131   2.991
  256   2HD   ARG  33          1HD       ARG  33   4.781  -3.171   4.477
  257    HE   ARG  33           HE       ARG  33   2.022  -3.302   3.758
  258   1HH1  ARG  33          1HH1      ARG  33   4.365  -5.738   4.107
  259   2HH1  ARG  33          2HH1      ARG  33   3.460  -6.662   5.258
  260   1HH2  ARG  33          1HH2      ARG  33   0.938  -4.301   5.566
  261   2HH2  ARG  33          2HH2      ARG  33   1.519  -5.847   6.085
  Start of MODEL    6
    1   1H    GLY   1          1HT       GLY   1 -10.033  13.206  -6.515
    2   2H    GLY   1          2HT       GLY   1  -9.881  12.609  -4.933
    3   3H    GLY   1          3HT       GLY   1  -9.914  11.536  -6.249
    4   1HA   GLY   1          2HA       GLY   1  -7.750  11.768  -6.671
    5   2HA   GLY   1          1HA       GLY   1  -7.836  13.516  -6.448
    6    H    ASP   2           H        ASP   2  -6.880  10.568  -5.019
    7    HA   ASP   2           HA       ASP   2  -5.472  11.777  -2.865
    8   1HB   ASP   2          2HB       ASP   2  -8.299  11.677  -2.550
    9   2HB   ASP   2          1HB       ASP   2  -7.615  10.497  -1.430
   10    H    CYS   3           H        CYS   3  -3.904  10.212  -2.722
   11    HA   CYS   3           HA       CYS   3  -4.769   7.337  -2.705
   12   1HB   CYS   3          2HB       CYS   3  -2.630   6.875  -3.746
   13   2HB   CYS   3          1HB       CYS   3  -3.376   8.204  -4.632
   14    H    LEU   4           H        LEU   4  -3.105   5.942  -1.481
   15    HA   LEU   4           HA       LEU   4  -2.442   7.299   1.088
   16   1HB   LEU   4          2HB       LEU   4  -2.597   4.366   0.308
   17   2HB   LEU   4          1HB       LEU   4  -2.391   4.985   1.946
   18    HG   LEU   4           HG       LEU   4  -4.686   6.122   0.477
   19   1HD1  LEU   4          1HD1      LEU   4  -5.298   4.066  -0.334
   20   2HD1  LEU   4          2HD1      LEU   4  -5.896   3.857   1.311
   21   3HD1  LEU   4          3HD1      LEU   4  -4.327   3.195   0.852
   22   1HD2  LEU   4          1HD2      LEU   4  -3.832   5.444   3.197
   23   2HD2  LEU   4          2HD2      LEU   4  -5.512   5.011   2.886
   24   3HD2  LEU   4          3HD2      LEU   4  -4.975   6.675   2.657
   25    HA   PRO   5           HA       PRO   5   1.850   7.224   0.208
   26   1HB   PRO   5          2HB       PRO   5   2.871   6.727   2.698
   27   2HB   PRO   5          1HB       PRO   5   2.143   8.287   2.250
   28   1HG   PRO   5          2HG       PRO   5   0.916   5.974   3.688
   29   2HG   PRO   5          1HG       PRO   5   0.836   7.700   4.079
   30   1HD   PRO   5          2HD       PRO   5  -1.186   6.456   2.860
   31   2HD   PRO   5          1HD       PRO   5  -0.745   8.130   2.443
   32    H    HIS   6           H        HIS   6   3.874   5.759   0.760
   33    HA   HIS   6           HA       HIS   6   3.145   3.027   0.158
   34   1HB   HIS   6          2HB       HIS   6   4.847   4.040  -1.187
   35   2HB   HIS   6          1HB       HIS   6   5.697   4.627   0.241
   36    HD1  HIS   6           1HD      HIS   6   7.881   3.368  -0.051
   37    HD2  HIS   6           2HD      HIS   6   4.559   0.853  -0.188
   38    HE1  HIS   6           1HE      HIS   6   8.773   0.998  -0.012
   39    H    LEU   7           H        LEU   7   2.582   3.986   2.820
   40    HA   LEU   7           HA       LEU   7   3.839   1.896   4.335
   41   1HB   LEU   7          2HB       LEU   7   4.702   4.706   4.421
   42   2HB   LEU   7          1HB       LEU   7   4.424   3.990   6.008
   43    HG   LEU   7           HG       LEU   7   6.291   2.991   3.846
   44   1HD1  LEU   7          1HD1      LEU   7   6.548   4.573   6.270
   45   2HD1  LEU   7          2HD1      LEU   7   7.744   4.257   5.013
   46   3HD1  LEU   7          3HD1      LEU   7   7.543   3.119   6.345
   47   1HD2  LEU   7          1HD2      LEU   7   6.599   1.453   6.183
   48   2HD2  LEU   7          2HD2      LEU   7   5.925   0.910   4.646
   49   3HD2  LEU   7          3HD2      LEU   7   4.858   1.528   5.906
   50    H    LYS   8           H        LYS   8   1.102   3.333   3.622
   51    HA   LYS   8           HA       LYS   8   0.053   3.400   6.431
   52   1HB   LYS   8          2HB       LYS   8  -0.514   4.878   3.900
   53   2HB   LYS   8          1HB       LYS   8  -1.883   4.559   4.961
   54   1HG   LYS   8          2HG       LYS   8  -0.267   5.435   6.844
   55   2HG   LYS   8          1HG       LYS   8   0.574   6.201   5.497
   56   1HD   LYS   8          2HD       LYS   8  -0.930   7.876   5.727
   57   2HD   LYS   8          1HD       LYS   8  -2.076   6.776   4.960
   58   1HE   LYS   8          2HE       LYS   8  -3.271   7.155   6.897
   59   2HE   LYS   8          1HE       LYS   8  -2.203   5.891   7.538
   60   1HZ   LYS   8          1HZ       LYS   8  -0.714   7.471   8.372
   61   2HZ   LYS   8          2HZ       LYS   8  -2.241   8.088   8.787
   62   3HZ   LYS   8          3HZ       LYS   8  -1.390   8.736   7.468
   63    H    ARG   9           H        ARG   9  -2.456   2.748   6.327
   64    HA   ARG   9           HA       ARG   9  -2.498   0.014   5.317
   65   1HB   ARG   9          2HB       ARG   9  -3.546   0.582   7.431
   66   2HB   ARG   9          1HB       ARG   9  -4.537   1.819   6.656
   67   1HG   ARG   9          2HG       ARG   9  -6.027   0.300   5.838
   68   2HG   ARG   9          1HG       ARG   9  -4.771  -0.887   5.485
   69   1HD   ARG   9          2HD       ARG   9  -5.183  -0.391   8.371
   70   2HD   ARG   9          1HD       ARG   9  -6.559  -1.147   7.543
   71    HE   ARG   9           HE       ARG   9  -3.935  -2.289   6.863
   72   1HH1  ARG   9          1HH2      ARG   9  -7.093  -2.995   7.579
   73   2HH1  ARG   9          2HH2      ARG   9  -6.767  -4.387   8.556
   74   1HH2  ARG   9          1HH1      ARG   9  -3.348  -3.832   8.677
   75   2HH2  ARG   9          2HH1      ARG   9  -4.649  -4.861   9.178
   76    H    CYS  10           H        CYS  10  -4.075  -0.794   3.753
   77    HA   CYS  10           HA       CYS  10  -5.305   1.281   1.996
   78   1HB   CYS  10          2HB       CYS  10  -4.351  -0.482   0.149
   79   2HB   CYS  10          1HB       CYS  10  -3.497   0.973   0.639
   80    H    LYS  11           H        LYS  11  -7.329   0.708   1.380
   81    HA   LYS  11           HA       LYS  11  -8.409  -1.916   2.165
   82   1HB   LYS  11          2HB       LYS  11  -9.387   0.726   1.136
   83   2HB   LYS  11          1HB       LYS  11 -10.442  -0.676   0.956
   84   1HG   LYS  11          2HG       LYS  11 -11.093   0.006   3.064
   85   2HG   LYS  11          1HG       LYS  11  -9.754  -1.054   3.508
   86   1HD   LYS  11          2HD       LYS  11  -8.792   1.609   2.867
   87   2HD   LYS  11          1HD       LYS  11 -10.011   1.670   4.140
   88   1HE   LYS  11          2HE       LYS  11  -7.569  -0.144   4.156
   89   2HE   LYS  11          1HE       LYS  11  -7.751   1.342   5.109
   90   1HZ   LYS  11          1HZ       LYS  11  -8.550  -0.251   6.556
   91   2HZ   LYS  11          2HZ       LYS  11  -9.243  -1.190   5.321
   92   3HZ   LYS  11          3HZ       LYS  11  -9.981   0.263   5.802
   93    H    ALA  12           H        ALA  12  -7.027  -0.444  -0.616
   94    HA   ALA  12           HA       ALA  12  -7.786  -2.811  -2.270
   95   1HB   ALA  12          1HB       ALA  12  -9.222  -0.669  -2.571
   96   2HB   ALA  12          2HB       ALA  12  -8.556  -1.413  -4.026
   97   3HB   ALA  12          3HB       ALA  12  -7.787   0.015  -3.335
   98    H    ASP  13           H        ASP  13  -6.222  -3.235  -3.967
   99    HA   ASP  13           HA       ASP  13  -3.515  -2.899  -3.343
  100   1HB   ASP  13          2HB       ASP  13  -4.902  -3.265  -6.011
  101   2HB   ASP  13          1HB       ASP  13  -3.199  -3.622  -5.704
  102    H    ASN  14           H        ASN  14  -5.665  -0.764  -5.152
  103    HA   ASN  14           HA       ASN  14  -3.445   0.945  -6.079
  104   1HB   ASN  14          2HB       ASN  14  -5.837   0.269  -7.105
  105   2HB   ASN  14          1HB       ASN  14  -6.309   1.750  -6.269
  106   1HD2  ASN  14          1HD2      ASN  14  -4.358   3.542  -6.637
  107   2HD2  ASN  14          2HD2      ASN  14  -3.955   3.748  -8.273
  108    H    ASP  15           H        ASP  15  -5.635   0.828  -3.365
  109    HA   ASP  15           HA       ASP  15  -6.070   3.402  -2.552
  110   1HB   ASP  15          2HB       ASP  15  -5.834   0.868  -1.412
  111   2HB   ASP  15          1HB       ASP  15  -4.932   1.946  -0.358
  112    H    CYS  16           H        CYS  16  -2.955   1.728  -2.374
  113    HA   CYS  16           HA       CYS  16  -1.525   3.972  -1.119
  114   1HB   CYS  16          2HB       CYS  16  -0.561   1.513  -2.637
  115   2HB   CYS  16          1HB       CYS  16   0.386   2.484  -1.504
  116    H    CYS  17           H        CYS  17   0.043   5.301  -2.250
  117    HA   CYS  17           HA       CYS  17  -0.593   5.890  -5.042
  118   1HB   CYS  17          2HB       CYS  17   0.691   7.107  -2.810
  119   2HB   CYS  17          1HB       CYS  17   1.806   7.078  -4.171
  120    H    GLY  18           H        GLY  18   1.336   3.619  -3.423
  121   1HA   GLY  18          2HA       GLY  18   3.384   3.513  -5.563
  122   2HA   GLY  18          1HA       GLY  18   3.342   2.499  -4.115
  123    H    LYS  19           H        LYS  19   0.251   2.466  -5.047
  124    HA   LYS  19           HA       LYS  19  -1.098   0.858  -6.108
  125   1HB   LYS  19          2HB       LYS  19   1.285   1.176  -7.949
  126   2HB   LYS  19          1HB       LYS  19  -0.073   0.132  -8.367
  127   1HG   LYS  19          2HG       LYS  19  -1.268   1.914  -9.036
  128   2HG   LYS  19          1HG       LYS  19  -1.099   2.644  -7.439
  129   1HD   LYS  19          2HD       LYS  19   0.063   4.249  -8.562
  130   2HD   LYS  19          1HD       LYS  19   1.388   3.088  -8.467
  131   1HE   LYS  19          2HE       LYS  19  -0.523   2.739 -10.731
  132   2HE   LYS  19          1HE       LYS  19   0.591   4.118 -10.820
  133   1HZ   LYS  19          1HZ       LYS  19   2.327   2.417 -10.031
  134   2HZ   LYS  19          2HZ       LYS  19   1.853   2.380 -11.662
  135   3HZ   LYS  19          3HZ       LYS  19   1.225   1.245 -10.565
  136    H    LYS  20           H        LYS  20   1.280   0.161  -4.258
  137    HA   LYS  20           HA       LYS  20   1.280  -2.767  -4.870
  138   1HB   LYS  20          2HB       LYS  20   3.462  -0.797  -4.392
  139   2HB   LYS  20          1HB       LYS  20   3.658  -2.378  -3.635
  140   1HG   LYS  20          2HG       LYS  20   2.855  -2.183  -6.526
  141   2HG   LYS  20          1HG       LYS  20   4.552  -2.027  -6.067
  142   1HD   LYS  20          2HD       LYS  20   4.625  -4.285  -6.092
  143   2HD   LYS  20          1HD       LYS  20   3.681  -4.224  -4.603
  144   1HE   LYS  20          2HE       LYS  20   2.343  -5.598  -5.965
  145   2HE   LYS  20          1HE       LYS  20   1.634  -3.999  -6.269
  146   1HZ   LYS  20          1HZ       LYS  20   2.112  -4.506  -8.403
  147   2HZ   LYS  20          2HZ       LYS  20   3.310  -5.636  -7.993
  148   3HZ   LYS  20          3HZ       LYS  20   3.667  -3.974  -7.984
  149    H    CYS  21           H        CYS  21  -0.651  -2.315  -3.248
  150    HA   CYS  21           HA       CYS  21   0.117  -1.793  -0.480
  151   1HB   CYS  21          2HB       CYS  21  -2.099  -1.216  -1.307
  152   2HB   CYS  21          1HB       CYS  21  -2.368  -2.866  -1.876
  153    H    LYS  22           H        LYS  22  -0.026  -3.635   1.221
  154    HA   LYS  22           HA       LYS  22   0.271  -6.337  -0.043
  155   1HB   LYS  22          2HB       LYS  22   2.327  -4.666   0.877
  156   2HB   LYS  22          1HB       LYS  22   2.150  -5.910   2.115
  157   1HG   LYS  22          2HG       LYS  22   2.011  -7.498  -0.024
  158   2HG   LYS  22          1HG       LYS  22   2.938  -6.186  -0.752
  159   1HD   LYS  22          2HD       LYS  22   4.237  -6.467   1.633
  160   2HD   LYS  22          1HD       LYS  22   3.745  -8.134   1.320
  161   1HE   LYS  22          2HE       LYS  22   4.654  -7.670  -1.103
  162   2HE   LYS  22          1HE       LYS  22   5.553  -6.363  -0.310
  163   1HZ   LYS  22          1HZ       LYS  22   6.043  -9.145  -0.206
  164   2HZ   LYS  22          2HZ       LYS  22   5.700  -8.581   1.360
  165   3HZ   LYS  22          3HZ       LYS  22   6.959  -7.883   0.459
  166    H    ARG  23           H        ARG  23  -1.233  -7.593   0.919
  167    HA   ARG  23           HA       ARG  23  -2.283  -7.237   3.601
  168   1HB   ARG  23          2HB       ARG  23  -3.820  -8.110   2.091
  169   2HB   ARG  23          1HB       ARG  23  -2.601  -9.074   1.264
  170   1HG   ARG  23          2HG       ARG  23  -2.522 -10.651   3.109
  171   2HG   ARG  23          1HG       ARG  23  -3.603  -9.639   4.069
  172   1HD   ARG  23          2HD       ARG  23  -4.469 -10.636   1.359
  173   2HD   ARG  23          1HD       ARG  23  -4.650 -11.654   2.800
  174    HE   ARG  23           HE       ARG  23  -5.816  -8.903   2.578
  175   1HH1  ARG  23          1HH1      ARG  23  -7.410 -11.524   2.212
  176   2HH1  ARG  23          2HH1      ARG  23  -8.158 -11.654   3.769
  177   1HH2  ARG  23          1HH2      ARG  23  -6.066  -9.329   5.260
  178   2HH2  ARG  23          2HH2      ARG  23  -7.397 -10.412   5.494
  179    H    ARG  24           H        ARG  24  -2.158  -9.169   5.161
  180    HA   ARG  24           HA       ARG  24   0.631 -10.037   5.446
  181   1HB   ARG  24          2HB       ARG  24  -0.716  -9.409   7.392
  182   2HB   ARG  24          1HB       ARG  24  -1.934 -10.613   6.973
  183   1HG   ARG  24          2HG       ARG  24  -0.200 -11.227   8.807
  184   2HG   ARG  24          1HG       ARG  24  -0.525 -12.417   7.550
  185   1HD   ARG  24          2HD       ARG  24   1.475 -11.512   6.284
  186   2HD   ARG  24          1HD       ARG  24   1.849 -10.531   7.714
  187    HE   ARG  24           HE       ARG  24   1.692 -12.852   8.943
  188   1HH1  ARG  24          1HH1      ARG  24   1.692 -13.599   5.774
  189   2HH1  ARG  24          2HH1      ARG  24   3.238 -14.378   5.724
  190   1HH2  ARG  24          1HH2      ARG  24   4.187 -13.286   8.875
  191   2HH2  ARG  24          2HH2      ARG  24   4.651 -14.200   7.480
  192    H    GLY  25           H        GLY  25  -0.176 -11.018   3.041
  193   1HA   GLY  25          2HA       GLY  25   0.117 -13.863   3.336
  194   2HA   GLY  25          1HA       GLY  25  -1.549 -13.464   2.917
  195    H    THR  26           H        THR  26  -1.253 -11.365   1.138
  196    HA   THR  26           HA       THR  26   0.800 -11.733  -0.840
  197    HB   THR  26           HB       THR  26  -0.196 -13.932  -1.046
  198    HG1  THR  26           1HG      THR  26  -0.913 -13.781  -3.219
  199   1HG2  THR  26          1HG2      THR  26  -2.336 -13.721  -0.090
  200   2HG2  THR  26          2HG2      THR  26  -2.678 -13.976  -1.801
  201   3HG2  THR  26          3HG2      THR  26  -2.758 -12.351  -1.118
  202    H    ASN  27           H        ASN  27  -0.157  -9.352  -0.011
  203    HA   ASN  27           HA       ASN  27  -1.113  -7.324  -0.791
  204   1HB   ASN  27          2HB       ASN  27   0.248  -8.012  -2.717
  205   2HB   ASN  27          1HB       ASN  27  -1.108  -8.953  -3.334
  206   1HD2  ASN  27          1HD2      ASN  27  -2.113  -6.045  -1.773
  207   2HD2  ASN  27          2HD2      ASN  27  -2.368  -5.124  -3.174
  208    H    ALA  28           H        ALA  28  -3.173  -6.798  -0.193
  209    HA   ALA  28           HA       ALA  28  -5.461  -7.518  -1.759
  210   1HB   ALA  28          1HB       ALA  28  -6.511  -9.097  -0.190
  211   2HB   ALA  28          2HB       ALA  28  -5.109  -8.984   0.870
  212   3HB   ALA  28          3HB       ALA  28  -4.950  -9.720  -0.723
  213    H    GLU  29           H        GLU  29  -4.216  -6.505   1.404
  214    HA   GLU  29           HA       GLU  29  -5.534  -4.039   1.536
  215   1HB   GLU  29          2HB       GLU  29  -7.658  -5.085   1.320
  216   2HB   GLU  29          1HB       GLU  29  -7.234  -6.363   2.458
  217   1HG   GLU  29          2HG       GLU  29  -6.962  -3.767   3.706
  218   2HG   GLU  29          1HG       GLU  29  -8.577  -3.949   3.020
  219    H    LYS  30           H        LYS  30  -3.241  -4.221   2.642
  220    HA   LYS  30           HA       LYS  30  -3.753  -4.423   5.565
  221   1HB   LYS  30          2HB       LYS  30  -1.753  -5.779   3.942
  222   2HB   LYS  30          1HB       LYS  30  -1.166  -5.081   5.442
  223   1HG   LYS  30          2HG       LYS  30  -3.399  -7.100   5.119
  224   2HG   LYS  30          1HG       LYS  30  -1.861  -7.333   5.951
  225   1HD   LYS  30          2HD       LYS  30  -2.853  -5.124   7.241
  226   2HD   LYS  30          1HD       LYS  30  -4.330  -6.024   6.892
  227   1HE   LYS  30          2HE       LYS  30  -3.860  -7.446   8.588
  228   2HE   LYS  30          1HE       LYS  30  -2.330  -7.881   7.800
  229   1HZ   LYS  30          1HZ       LYS  30  -1.341  -5.859   8.705
  230   2HZ   LYS  30          2HZ       LYS  30  -1.914  -6.862   9.951
  231   3HZ   LYS  30          3HZ       LYS  30  -2.795  -5.482   9.493
  232    H    ARG  31           H        ARG  31  -0.686  -3.759   4.034
  233    HA   ARG  31           HA       ARG  31  -1.011  -0.835   4.580
  234   1HB   ARG  31          2HB       ARG  31   0.682  -2.830   5.911
  235   2HB   ARG  31          1HB       ARG  31   1.603  -1.453   5.305
  236   1HG   ARG  31          2HG       ARG  31  -0.714  -0.346   6.450
  237   2HG   ARG  31          1HG       ARG  31  -0.182  -1.588   7.584
  238   1HD   ARG  31          2HD       ARG  31   2.118  -0.131   6.615
  239   2HD   ARG  31          1HD       ARG  31   0.921   0.998   7.280
  240    HE   ARG  31           HE       ARG  31   2.151  -1.272   8.768
  241   1HH1  ARG  31          1HH1      ARG  31  -0.810   0.065   8.986
  242   2HH1  ARG  31          2HH1      ARG  31  -0.595   0.842  10.519
  243   1HH2  ARG  31          1HH2      ARG  31   2.836   0.337  10.589
  244   2HH2  ARG  31          2HH2      ARG  31   1.471   0.997  11.427
  245    H    CYS  32           H        CYS  32   0.441   0.471   3.281
  246    HA   CYS  32           HA       CYS  32   1.018  -0.628   0.656
  247   1HB   CYS  32          2HB       CYS  32   1.930   1.972   1.926
  248   2HB   CYS  32          1HB       CYS  32   1.746   1.644   0.200
  249    H    ARG  33           H        ARG  33   2.780  -1.957   0.324
  250    HA   ARG  33           HA       ARG  33   5.326  -1.248   1.756
  251   1HB   ARG  33          2HB       ARG  33   4.621  -4.042   0.877
  252   2HB   ARG  33          1HB       ARG  33   5.693  -3.532   2.178
  253   1HG   ARG  33          2HG       ARG  33   2.680  -3.195   2.187
  254   2HG   ARG  33          1HG       ARG  33   3.551  -4.474   3.030
  255   1HD   ARG  33          2HD       ARG  33   4.894  -2.451   4.092
  256   2HD   ARG  33          1HD       ARG  33   3.436  -1.539   3.657
  257    HE   ARG  33           HE       ARG  33   2.166  -3.426   4.876
  258   1HH1  ARG  33          1HH1      ARG  33   4.444  -1.446   6.187
  259   2HH1  ARG  33          2HH1      ARG  33   4.820  -2.435   7.558
  260   1HH2  ARG  33          1HH2      ARG  33   3.061  -5.187   6.387
  261   2HH2  ARG  33          2HH2      ARG  33   4.035  -4.554   7.671
  Start of MODEL    7
    1   1H    GLY   1          1HT       GLY   1  -1.516  14.826  -7.012
    2   2H    GLY   1          2HT       GLY   1  -0.223  13.743  -7.215
    3   3H    GLY   1          3HT       GLY   1  -0.977  13.896  -5.700
    4   1HA   GLY   1          2HA       GLY   1  -2.813  13.214  -7.799
    5   2HA   GLY   1          1HA       GLY   1  -1.551  12.005  -7.550
    6    H    ASP   2           H        ASP   2  -4.558  12.269  -6.777
    7    HA   ASP   2           HA       ASP   2  -4.591  12.200  -3.869
    8   1HB   ASP   2          2HB       ASP   2  -6.620  11.110  -5.839
    9   2HB   ASP   2          1HB       ASP   2  -6.925  11.717  -4.212
   10    H    CYS   3           H        CYS   3  -3.536  10.525  -2.849
   11    HA   CYS   3           HA       CYS   3  -4.330   7.749  -3.495
   12   1HB   CYS   3          2HB       CYS   3  -2.077   7.038  -3.977
   13   2HB   CYS   3          1HB       CYS   3  -2.389   8.456  -4.978
   14    H    LEU   4           H        LEU   4  -2.011   6.707  -2.035
   15    HA   LEU   4           HA       LEU   4  -2.424   7.852   0.695
   16   1HB   LEU   4          2HB       LEU   4  -2.321   4.884   0.118
   17   2HB   LEU   4          1HB       LEU   4  -2.896   5.685   1.570
   18    HG   LEU   4           HG       LEU   4  -4.254   6.138  -1.082
   19   1HD1  LEU   4          1HD1      LEU   4  -5.483   4.209  -0.910
   20   2HD1  LEU   4          2HD1      LEU   4  -5.395   4.188   0.851
   21   3HD1  LEU   4          3HD1      LEU   4  -4.022   3.634  -0.107
   22   1HD2  LEU   4          1HD2      LEU   4  -4.669   7.617   0.936
   23   2HD2  LEU   4          2HD2      LEU   4  -5.312   6.193   1.754
   24   3HD2  LEU   4          3HD2      LEU   4  -6.103   6.809   0.303
   25    HA   PRO   5           HA       PRO   5   1.925   7.523   1.197
   26   1HB   PRO   5          2HB       PRO   5   2.159   6.416   3.694
   27   2HB   PRO   5          1HB       PRO   5   1.617   8.090   3.430
   28   1HG   PRO   5          2HG       PRO   5  -0.039   5.621   3.796
   29   2HG   PRO   5          1HG       PRO   5  -0.172   7.175   4.641
   30   1HD   PRO   5          2HD       PRO   5  -1.803   6.626   2.657
   31   2HD   PRO   5          1HD       PRO   5  -1.070   8.244   2.759
   32    H    HIS   6           H        HIS   6   3.725   5.920   1.450
   33    HA   HIS   6           HA       HIS   6   2.969   3.318   0.435
   34   1HB   HIS   6          2HB       HIS   6   4.711   4.445  -0.738
   35   2HB   HIS   6          1HB       HIS   6   5.528   4.868   0.763
   36    HD1  HIS   6           1HD      HIS   6   7.718   3.638   0.480
   37    HD2  HIS   6           2HD      HIS   6   4.425   1.178  -0.221
   38    HE1  HIS   6           1HE      HIS   6   8.621   1.285   0.246
   39    H    LEU   7           H        LEU   7   2.413   3.928   3.241
   40    HA   LEU   7           HA       LEU   7   3.588   1.580   4.408
   41   1HB   LEU   7          2HB       LEU   7   4.650   4.268   4.819
   42   2HB   LEU   7          1HB       LEU   7   4.286   3.439   6.334
   43    HG   LEU   7           HG       LEU   7   6.062   2.442   4.094
   44   1HD1  LEU   7          1HD1      LEU   7   6.695   2.896   7.015
   45   2HD1  LEU   7          2HD1      LEU   7   6.921   4.145   5.790
   46   3HD1  LEU   7          3HD1      LEU   7   7.829   2.636   5.690
   47   1HD2  LEU   7          1HD2      LEU   7   4.787   1.069   6.437
   48   2HD2  LEU   7          2HD2      LEU   7   6.411   0.585   5.948
   49   3HD2  LEU   7          3HD2      LEU   7   5.071   0.458   4.807
   50    H    LYS   8           H        LYS   8   0.892   3.200   4.009
   51    HA   LYS   8           HA       LYS   8  -0.041   2.901   6.849
   52   1HB   LYS   8          2HB       LYS   8  -0.087   5.174   5.715
   53   2HB   LYS   8          1HB       LYS   8  -1.275   4.507   4.595
   54   1HG   LYS   8          2HG       LYS   8  -2.939   4.682   6.108
   55   2HG   LYS   8          1HG       LYS   8  -1.960   3.941   7.374
   56   1HD   LYS   8          2HD       LYS   8  -1.232   5.958   8.182
   57   2HD   LYS   8          1HD       LYS   8  -1.206   6.704   6.584
   58   1HE   LYS   8          2HE       LYS   8  -3.748   6.063   8.128
   59   2HE   LYS   8          1HE       LYS   8  -3.000   7.670   8.035
   60   1HZ   LYS   8          1HZ       LYS   8  -4.286   7.827   6.196
   61   2HZ   LYS   8          2HZ       LYS   8  -4.378   6.146   5.968
   62   3HZ   LYS   8          3HZ       LYS   8  -2.994   6.999   5.473
   63    H    ARG   9           H        ARG   9  -2.084   1.813   7.169
   64    HA   ARG   9           HA       ARG   9  -2.631  -0.464   5.610
   65   1HB   ARG   9          2HB       ARG   9  -3.459   0.169   7.934
   66   2HB   ARG   9          1HB       ARG   9  -4.659   1.193   7.144
   67   1HG   ARG   9          2HG       ARG   9  -5.959  -0.667   7.134
   68   2HG   ARG   9          1HG       ARG   9  -4.950  -1.180   5.781
   69   1HD   ARG   9          2HD       ARG   9  -3.351  -2.104   7.640
   70   2HD   ARG   9          1HD       ARG   9  -4.792  -2.015   8.671
   71    HE   ARG   9           HE       ARG   9  -5.523  -3.211   6.183
   72   1HH1  ARG   9          1HH2      ARG   9  -2.789  -4.420   7.164
   73   2HH1  ARG   9          2HH2      ARG   9  -3.375  -5.863   7.924
   74   1HH2  ARG   9          1HH1      ARG   9  -6.679  -4.812   7.973
   75   2HH2  ARG   9          2HH1      ARG   9  -5.577  -6.084   8.382
   76    H    CYS  10           H        CYS  10  -3.975  -0.832   3.811
   77    HA   CYS  10           HA       CYS  10  -5.145   1.633   2.549
   78   1HB   CYS  10          2HB       CYS  10  -4.437   0.708   0.428
   79   2HB   CYS  10          1HB       CYS  10  -3.059   0.642   1.526
   80    H    LYS  11           H        LYS  11  -7.141   1.341   1.427
   81    HA   LYS  11           HA       LYS  11  -8.855  -0.778   2.493
   82   1HB   LYS  11          2HB       LYS  11  -9.087   1.827   1.413
   83   2HB   LYS  11          1HB       LYS  11  -9.968   0.768   0.312
   84   1HG   LYS  11          2HG       LYS  11 -11.578   1.352   1.941
   85   2HG   LYS  11          1HG       LYS  11 -11.027  -0.248   2.439
   86   1HD   LYS  11          2HD       LYS  11  -9.218   1.306   3.740
   87   2HD   LYS  11          1HD       LYS  11 -10.618   2.379   3.747
   88   1HE   LYS  11          2HE       LYS  11 -11.482   1.172   5.458
   89   2HE   LYS  11          1HE       LYS  11 -11.563  -0.239   4.384
   90   1HZ   LYS  11          1HZ       LYS  11  -8.948   0.539   5.440
   91   2HZ   LYS  11          2HZ       LYS  11  -9.548  -1.006   5.069
   92   3HZ   LYS  11          3HZ       LYS  11 -10.021  -0.231   6.503
   93    H    ALA  12           H        ALA  12  -6.875  -0.323  -0.301
   94    HA   ALA  12           HA       ALA  12  -7.653  -2.955  -1.343
   95   1HB   ALA  12          1HB       ALA  12  -7.855  -0.952  -3.463
   96   2HB   ALA  12          2HB       ALA  12  -9.035  -0.682  -2.180
   97   3HB   ALA  12          3HB       ALA  12  -8.989  -2.230  -3.024
   98    H    ASP  13           H        ASP  13  -6.194  -3.642  -3.081
   99    HA   ASP  13           HA       ASP  13  -3.487  -3.048  -2.682
  100   1HB   ASP  13          2HB       ASP  13  -4.780  -3.960  -5.267
  101   2HB   ASP  13          1HB       ASP  13  -3.162  -4.361  -4.681
  102    H    ASN  14           H        ASN  14  -5.718  -1.700  -5.127
  103    HA   ASN  14           HA       ASN  14  -3.609   0.109  -6.141
  104   1HB   ASN  14          2HB       ASN  14  -5.464   0.712  -7.733
  105   2HB   ASN  14          1HB       ASN  14  -5.087  -1.011  -7.705
  106   1HD2  ASN  14          1HD2      ASN  14  -7.084  -2.039  -7.988
  107   2HD2  ASN  14          2HD2      ASN  14  -8.473  -1.709  -7.071
  108    H    ASP  15           H        ASP  15  -4.159   0.725  -3.461
  109    HA   ASP  15           HA       ASP  15  -5.813   3.207  -3.672
  110   1HB   ASP  15          2HB       ASP  15  -5.908   1.002  -1.965
  111   2HB   ASP  15          1HB       ASP  15  -5.334   2.333  -0.982
  112    H    CYS  16           H        CYS  16  -2.755   1.816  -2.809
  113    HA   CYS  16           HA       CYS  16  -1.673   4.138  -1.380
  114   1HB   CYS  16          2HB       CYS  16  -0.386   1.734  -2.730
  115   2HB   CYS  16          1HB       CYS  16   0.362   2.760  -1.499
  116    H    CYS  17           H        CYS  17   0.381   5.192  -2.330
  117    HA   CYS  17           HA       CYS  17  -0.166   6.193  -5.021
  118   1HB   CYS  17          2HB       CYS  17   1.286   6.937  -2.697
  119   2HB   CYS  17          1HB       CYS  17   2.398   6.875  -4.062
  120    H    GLY  18           H        GLY  18   1.521   3.537  -3.692
  121   1HA   GLY  18          2HA       GLY  18   3.355   3.343  -6.024
  122   2HA   GLY  18          1HA       GLY  18   3.386   2.296  -4.600
  123    H    LYS  19           H        LYS  19   0.251   2.415  -5.036
  124    HA   LYS  19           HA       LYS  19  -1.353   1.027  -6.061
  125   1HB   LYS  19          2HB       LYS  19   0.189   2.038  -8.041
  126   2HB   LYS  19          1HB       LYS  19   0.548   0.322  -8.244
  127   1HG   LYS  19          2HG       LYS  19  -1.681  -0.225  -8.712
  128   2HG   LYS  19          1HG       LYS  19  -2.302   1.234  -7.938
  129   1HD   LYS  19          2HD       LYS  19  -2.215   2.367  -9.881
  130   2HD   LYS  19          1HD       LYS  19  -0.515   1.944 -10.095
  131   1HE   LYS  19          2HE       LYS  19  -1.366  -0.371 -10.867
  132   2HE   LYS  19          1HE       LYS  19  -2.951   0.412 -11.021
  133   1HZ   LYS  19          1HZ       LYS  19  -1.922   2.138 -12.371
  134   2HZ   LYS  19          2HZ       LYS  19  -1.697   0.610 -13.079
  135   3HZ   LYS  19          3HZ       LYS  19  -0.418   1.363 -12.253
  136    H    LYS  20           H        LYS  20   1.292   0.068  -4.565
  137    HA   LYS  20           HA       LYS  20   0.775  -2.842  -5.042
  138   1HB   LYS  20          2HB       LYS  20   2.988  -1.633  -5.861
  139   2HB   LYS  20          1HB       LYS  20   3.437  -1.766  -4.161
  140   1HG   LYS  20          2HG       LYS  20   2.293  -4.252  -5.137
  141   2HG   LYS  20          1HG       LYS  20   3.684  -3.766  -6.108
  142   1HD   LYS  20          2HD       LYS  20   4.056  -3.421  -3.203
  143   2HD   LYS  20          1HD       LYS  20   3.860  -5.098  -3.718
  144   1HE   LYS  20          2HE       LYS  20   5.615  -4.595  -5.526
  145   2HE   LYS  20          1HE       LYS  20   5.957  -3.108  -4.620
  146   1HZ   LYS  20          1HZ       LYS  20   7.346  -4.639  -3.606
  147   2HZ   LYS  20          2HZ       LYS  20   6.230  -5.912  -3.746
  148   3HZ   LYS  20          3HZ       LYS  20   5.982  -4.684  -2.599
  149    H    CYS  21           H        CYS  21  -0.786  -2.257  -3.157
  150    HA   CYS  21           HA       CYS  21   0.439  -1.663  -0.573
  151   1HB   CYS  21          2HB       CYS  21  -1.898  -1.047  -1.289
  152   2HB   CYS  21          1HB       CYS  21  -2.309  -2.763  -1.270
  153    H    LYS  22           H        LYS  22   0.969  -3.220   1.027
  154    HA   LYS  22           HA       LYS  22   1.329  -5.975   0.120
  155   1HB   LYS  22          2HB       LYS  22   2.172  -4.200   2.286
  156   2HB   LYS  22          1HB       LYS  22   1.843  -5.839   2.852
  157   1HG   LYS  22          2HG       LYS  22   3.454  -5.430   0.349
  158   2HG   LYS  22          1HG       LYS  22   4.231  -5.256   1.922
  159   1HD   LYS  22          2HD       LYS  22   4.222  -7.490   2.283
  160   2HD   LYS  22          1HD       LYS  22   2.541  -7.640   1.769
  161   1HE   LYS  22          2HE       LYS  22   3.383  -8.707  -0.064
  162   2HE   LYS  22          1HE       LYS  22   3.879  -7.093  -0.610
  163   1HZ   LYS  22          1HZ       LYS  22   5.988  -7.341   0.270
  164   2HZ   LYS  22          2HZ       LYS  22   5.677  -8.902  -0.322
  165   3HZ   LYS  22          3HZ       LYS  22   5.524  -8.575   1.337
  166    H    ARG  23           H        ARG  23   0.543  -7.792   1.542
  167    HA   ARG  23           HA       ARG  23  -1.991  -7.340   2.983
  168   1HB   ARG  23          2HB       ARG  23  -3.304  -8.535   1.475
  169   2HB   ARG  23          1HB       ARG  23  -2.217  -7.673   0.394
  170   1HG   ARG  23          2HG       ARG  23  -1.677 -10.485   1.391
  171   2HG   ARG  23          1HG       ARG  23  -2.514 -10.145  -0.116
  172   1HD   ARG  23          2HD       ARG  23   0.326  -9.325   0.595
  173   2HD   ARG  23          1HD       ARG  23  -0.166 -10.499  -0.637
  174    HE   ARG  23           HE       ARG  23  -1.527  -8.078  -1.209
  175   1HH1  ARG  23          1HH2      ARG  23   1.453  -9.728  -1.528
  176   2HH1  ARG  23          2HH2      ARG  23   2.175  -8.526  -2.546
  177   1HH2  ARG  23          1HH1      ARG  23  -0.514  -6.346  -2.329
  178   2HH2  ARG  23          2HH1      ARG  23   1.061  -6.612  -3.000
  179    H    ARG  24           H        ARG  24  -2.774  -9.682   3.753
  180    HA   ARG  24           HA       ARG  24  -0.337 -11.067   4.795
  181   1HB   ARG  24          2HB       ARG  24  -2.036 -10.115   6.362
  182   2HB   ARG  24          1HB       ARG  24  -3.245 -11.190   5.661
  183   1HG   ARG  24          2HG       ARG  24  -2.170 -12.051   7.790
  184   2HG   ARG  24          1HG       ARG  24  -2.059 -13.146   6.411
  185   1HD   ARG  24          2HD       ARG  24   0.234 -12.403   5.959
  186   2HD   ARG  24          1HD       ARG  24   0.131 -11.224   7.281
  187    HE   ARG  24           HE       ARG  24   0.087 -14.189   7.636
  188   1HH1  ARG  24          1HH2      ARG  24   2.360 -12.567   8.689
  189   2HH1  ARG  24          2HH2      ARG  24   1.915 -12.340  10.349
  190   1HH2  ARG  24          1HH1      ARG  24  -1.404 -13.213   9.856
  191   2HH2  ARG  24          2HH1      ARG  24  -0.216 -12.705  11.008
  192    H    GLY  25           H        GLY  25  -0.504 -11.872   2.314
  193   1HA   GLY  25          2HA       GLY  25  -0.484 -14.074   1.317
  194   2HA   GLY  25          1HA       GLY  25  -1.735 -14.572   2.460
  195    H    THR  26           H        THR  26  -1.732 -14.721  -0.537
  196    HA   THR  26           HA       THR  26  -3.115 -14.116  -2.364
  197    HB   THR  26           HB       THR  26  -4.866 -15.386  -1.660
  198    HG1  THR  26           1HG      THR  26  -6.664 -14.192  -1.131
  199   1HG2  THR  26          1HG2      THR  26  -3.779 -15.508   0.635
  200   2HG2  THR  26          2HG2      THR  26  -5.534 -15.683   0.624
  201   3HG2  THR  26          3HG2      THR  26  -4.803 -14.150   1.103
  202    H    ASN  27           H        ASN  27  -2.308 -12.031  -2.822
  203    HA   ASN  27           HA       ASN  27  -2.349  -9.596  -1.833
  204   1HB   ASN  27          2HB       ASN  27  -3.574  -8.865  -4.098
  205   2HB   ASN  27          1HB       ASN  27  -1.929  -9.496  -4.069
  206   1HD2  ASN  27          1HD2      ASN  27  -1.558 -11.621  -4.957
  207   2HD2  ASN  27          2HD2      ASN  27  -2.769 -12.494  -5.766
  208    H    ALA  28           H        ALA  28  -3.671  -8.023  -1.011
  209    HA   ALA  28           HA       ALA  28  -6.575  -8.131  -1.416
  210   1HB   ALA  28          1HB       ALA  28  -6.790  -9.534   0.374
  211   2HB   ALA  28          2HB       ALA  28  -6.480  -8.088   1.333
  212   3HB   ALA  28          3HB       ALA  28  -5.158  -9.188   0.944
  213    H    GLU  29           H        GLU  29  -4.675  -6.832   1.275
  214    HA   GLU  29           HA       GLU  29  -4.122  -4.230   0.435
  215   1HB   GLU  29          2HB       GLU  29  -6.226  -3.070   1.341
  216   2HB   GLU  29          1HB       GLU  29  -6.393  -3.890  -0.205
  217   1HG   GLU  29          2HG       GLU  29  -6.961  -5.894   1.638
  218   2HG   GLU  29          1HG       GLU  29  -7.683  -4.461   2.363
  219    H    LYS  30           H        LYS  30  -2.661  -5.333   2.292
  220    HA   LYS  30           HA       LYS  30  -3.729  -4.907   4.993
  221   1HB   LYS  30          2HB       LYS  30  -1.262  -6.026   3.793
  222   2HB   LYS  30          1HB       LYS  30  -1.183  -5.416   5.439
  223   1HG   LYS  30          2HG       LYS  30  -1.865  -7.936   5.015
  224   2HG   LYS  30          1HG       LYS  30  -2.658  -6.996   6.274
  225   1HD   LYS  30          2HD       LYS  30  -4.537  -6.513   4.769
  226   2HD   LYS  30          1HD       LYS  30  -3.737  -7.374   3.457
  227   1HE   LYS  30          2HE       LYS  30  -4.584  -9.333   4.203
  228   2HE   LYS  30          1HE       LYS  30  -3.855  -9.066   5.800
  229   1HZ   LYS  30          1HZ       LYS  30  -6.386  -9.115   5.688
  230   2HZ   LYS  30          2HZ       LYS  30  -6.273  -7.600   4.927
  231   3HZ   LYS  30          3HZ       LYS  30  -5.677  -7.809   6.504
  232    H    ARG  31           H        ARG  31  -0.639  -3.855   3.644
  233    HA   ARG  31           HA       ARG  31  -1.249  -1.053   4.494
  234   1HB   ARG  31          2HB       ARG  31   0.495  -3.009   5.751
  235   2HB   ARG  31          1HB       ARG  31   1.407  -1.586   5.248
  236   1HG   ARG  31          2HG       ARG  31  -0.500  -0.221   6.342
  237   2HG   ARG  31          1HG       ARG  31  -0.945  -1.736   7.128
  238   1HD   ARG  31          2HD       ARG  31   1.196  -1.904   8.219
  239   2HD   ARG  31          1HD       ARG  31   1.855  -0.569   7.252
  240    HE   ARG  31           HE       ARG  31   0.281   0.947   8.413
  241   1HH1  ARG  31          1HH1      ARG  31   1.973  -0.321  10.570
  242   2HH1  ARG  31          2HH1      ARG  31   0.771  -0.794  11.725
  243   1HH2  ARG  31          1HH2      ARG  31  -1.868  -0.496   9.497
  244   2HH2  ARG  31          2HH2      ARG  31  -1.402  -0.894  11.117
  245    H    CYS  32           H        CYS  32  -0.350   0.452   3.094
  246    HA   CYS  32           HA       CYS  32   0.546  -0.155   0.520
  247   1HB   CYS  32          2HB       CYS  32   1.254   2.145   2.371
  248   2HB   CYS  32          1HB       CYS  32   1.524   2.159   0.624
  249    H    ARG  33           H        ARG  33   2.345  -1.282  -0.138
  250    HA   ARG  33           HA       ARG  33   4.960  -0.732   1.129
  251   1HB   ARG  33          2HB       ARG  33   3.487  -3.375   1.260
  252   2HB   ARG  33          1HB       ARG  33   5.219  -3.234   1.557
  253   1HG   ARG  33          2HG       ARG  33   4.656  -1.472   3.305
  254   2HG   ARG  33          1HG       ARG  33   2.971  -1.954   3.125
  255   1HD   ARG  33          2HD       ARG  33   4.711  -4.276   3.452
  256   2HD   ARG  33          1HD       ARG  33   4.829  -3.161   4.826
  257    HE   ARG  33           HE       ARG  33   2.082  -3.356   4.187
  258   1HH1  ARG  33          1HH2      ARG  33   3.483  -6.187   3.810
  259   2HH1  ARG  33          2HH2      ARG  33   2.996  -6.924   5.299
  260   1HH2  ARG  33          1HH1      ARG  33   1.962  -3.946   6.742
  261   2HH2  ARG  33          2HH1      ARG  33   2.133  -5.655   6.960
  Start of MODEL    8
    1   1H    GLY   1          1HT       GLY   1  -8.240  10.409  -6.934
    2   2H    GLY   1          2HT       GLY   1  -9.569  10.414  -5.875
    3   3H    GLY   1          3HT       GLY   1  -8.216   9.441  -5.542
    4   1HA   GLY   1          2HA       GLY   1  -7.956  12.372  -5.762
    5   2HA   GLY   1          1HA       GLY   1  -8.462  11.614  -4.251
    6    H    ASP   2           H        ASP   2  -6.304  12.675  -3.612
    7    HA   ASP   2           HA       ASP   2  -3.781  11.755  -4.509
    8   1HB   ASP   2          2HB       ASP   2  -4.468  13.641  -2.889
    9   2HB   ASP   2          1HB       ASP   2  -4.500  12.393  -1.642
   10    H    CYS   3           H        CYS   3  -3.334   9.573  -4.691
   11    HA   CYS   3           HA       CYS   3  -4.446   7.402  -3.357
   12   1HB   CYS   3          2HB       CYS   3  -2.151   6.361  -3.807
   13   2HB   CYS   3          1HB       CYS   3  -2.959   7.091  -5.196
   14    H    LEU   4           H        LEU   4  -3.175   5.978  -1.704
   15    HA   LEU   4           HA       LEU   4  -2.706   7.614   0.704
   16   1HB   LEU   4          2HB       LEU   4  -2.749   4.623   0.173
   17   2HB   LEU   4          1HB       LEU   4  -2.713   5.364   1.771
   18    HG   LEU   4           HG       LEU   4  -4.828   6.496   0.129
   19   1HD1  LEU   4          1HD1      LEU   4  -5.926   3.978   0.764
   20   2HD1  LEU   4          2HD1      LEU   4  -4.403   3.644  -0.059
   21   3HD1  LEU   4          3HD1      LEU   4  -5.632   4.633  -0.847
   22   1HD2  LEU   4          1HD2      LEU   4  -5.962   6.433   2.137
   23   2HD2  LEU   4          2HD2      LEU   4  -4.321   6.257   2.760
   24   3HD2  LEU   4          3HD2      LEU   4  -5.342   4.834   2.553
   25    HA   PRO   5           HA       PRO   5   1.670   7.475   0.708
   26   1HB   PRO   5          2HB       PRO   5   2.257   6.690   3.271
   27   2HB   PRO   5          1HB       PRO   5   1.640   8.309   2.871
   28   1HG   PRO   5          2HG       PRO   5   0.134   5.901   3.804
   29   2HG   PRO   5          1HG       PRO   5   0.038   7.568   4.395
   30   1HD   PRO   5          2HD       PRO   5  -1.791   6.618   2.727
   31   2HD   PRO   5          1HD       PRO   5  -1.181   8.280   2.539
   32    H    HIS   6           H        HIS   6   3.535   5.954   0.828
   33    HA   HIS   6           HA       HIS   6   2.747   3.255   0.186
   34   1HB   HIS   6          2HB       HIS   6   4.352   4.353  -1.226
   35   2HB   HIS   6          1HB       HIS   6   5.338   4.798   0.167
   36    HD1  HIS   6           1HD      HIS   6   7.440   3.493  -0.421
   37    HD2  HIS   6           2HD      HIS   6   4.021   1.107  -0.416
   38    HE1  HIS   6           1HE      HIS   6   8.237   1.097  -0.625
   39    H    LEU   7           H        LEU   7   2.407   4.020   2.951
   40    HA   LEU   7           HA       LEU   7   3.793   1.833   4.184
   41   1HB   LEU   7          2HB       LEU   7   4.696   4.615   4.377
   42   2HB   LEU   7          1HB       LEU   7   4.537   3.814   5.940
   43    HG   LEU   7           HG       LEU   7   6.194   2.905   3.574
   44   1HD1  LEU   7          1HD1      LEU   7   7.831   2.892   5.709
   45   2HD1  LEU   7          2HD1      LEU   7   6.706   4.148   6.224
   46   3HD1  LEU   7          3HD1      LEU   7   7.589   4.324   4.708
   47   1HD2  LEU   7          1HD2      LEU   7   6.792   1.159   5.570
   48   2HD2  LEU   7          2HD2      LEU   7   5.596   0.822   4.318
   49   3HD2  LEU   7          3HD2      LEU   7   5.078   1.424   5.893
   50    H    LYS   8           H        LYS   8   1.009   3.294   3.843
   51    HA   LYS   8           HA       LYS   8   0.236   3.130   6.738
   52   1HB   LYS   8          2HB       LYS   8  -0.024   5.330   5.579
   53   2HB   LYS   8          1HB       LYS   8  -1.098   4.557   4.411
   54   1HG   LYS   8          2HG       LYS   8  -2.778   4.182   6.014
   55   2HG   LYS   8          1HG       LYS   8  -1.658   4.364   7.366
   56   1HD   LYS   8          2HD       LYS   8  -1.365   6.802   6.349
   57   2HD   LYS   8          1HD       LYS   8  -2.970   6.474   5.696
   58   1HE   LYS   8          2HE       LYS   8  -3.634   7.298   7.747
   59   2HE   LYS   8          1HE       LYS   8  -3.316   5.629   8.264
   60   1HZ   LYS   8          1HZ       LYS   8  -1.388   7.890   8.305
   61   2HZ   LYS   8          2HZ       LYS   8  -0.990   6.279   8.665
   62   3HZ   LYS   8          3HZ       LYS   8  -2.075   7.132   9.656
   63    H    ARG   9           H        ARG   9  -2.229   2.441   6.871
   64    HA   ARG   9           HA       ARG   9  -2.425  -0.171   5.641
   65   1HB   ARG   9          2HB       ARG   9  -3.334   0.212   7.837
   66   2HB   ARG   9          1HB       ARG   9  -4.289   1.581   7.268
   67   1HG   ARG   9          2HG       ARG   9  -5.963   0.244   6.541
   68   2HG   ARG   9          1HG       ARG   9  -4.839  -0.878   5.775
   69   1HD   ARG   9          2HD       ARG   9  -4.300  -1.668   8.196
   70   2HD   ARG   9          1HD       ARG   9  -5.820  -0.861   8.630
   71    HE   ARG   9           HE       ARG   9  -5.850  -2.745   6.329
   72   1HH1  ARG   9          1HH2      ARG   9  -7.847  -1.340   8.509
   73   2HH1  ARG   9          2HH2      ARG   9  -8.569  -2.795   9.111
   74   1HH2  ARG   9          1HH1      ARG   9  -6.282  -4.887   7.557
   75   2HH2  ARG   9          2HH1      ARG   9  -7.683  -4.802   8.573
   76    H    CYS  10           H        CYS  10  -3.747  -0.821   3.920
   77    HA   CYS  10           HA       CYS  10  -5.209   1.348   2.457
   78   1HB   CYS  10          2HB       CYS  10  -4.401  -0.330   0.463
   79   2HB   CYS  10          1HB       CYS  10  -3.491   1.088   0.967
   80    H    LYS  11           H        LYS  11  -7.155   0.706   1.462
   81    HA   LYS  11           HA       LYS  11  -8.332  -1.808   2.483
   82   1HB   LYS  11          2HB       LYS  11  -9.194   0.822   1.453
   83   2HB   LYS  11          1HB       LYS  11 -10.234  -0.519   0.972
   84   1HG   LYS  11          2HG       LYS  11 -10.861  -0.995   3.150
   85   2HG   LYS  11          1HG       LYS  11  -9.359  -0.366   3.830
   86   1HD   LYS  11          2HD       LYS  11 -11.111   1.194   4.396
   87   2HD   LYS  11          1HD       LYS  11 -10.119   1.944   3.144
   88   1HE   LYS  11          2HE       LYS  11 -12.232   2.319   2.242
   89   2HE   LYS  11          1HE       LYS  11 -11.901   0.721   1.546
   90   1HZ   LYS  11          1HZ       LYS  11 -13.363  -0.268   2.904
   91   2HZ   LYS  11          2HZ       LYS  11 -14.012   1.284   3.130
   92   3HZ   LYS  11          3HZ       LYS  11 -12.904   0.654   4.252
   93    H    ALA  12           H        ALA  12  -7.463  -0.280  -0.608
   94    HA   ALA  12           HA       ALA  12  -7.929  -2.926  -1.946
   95   1HB   ALA  12          1HB       ALA  12  -9.681  -1.353  -2.547
   96   2HB   ALA  12          2HB       ALA  12  -8.601  -1.521  -3.931
   97   3HB   ALA  12          3HB       ALA  12  -8.491  -0.098  -2.894
   98    H    ASP  13           H        ASP  13  -6.433  -3.399  -3.677
   99    HA   ASP  13           HA       ASP  13  -3.739  -2.758  -3.282
  100   1HB   ASP  13          2HB       ASP  13  -5.130  -3.461  -5.882
  101   2HB   ASP  13          1HB       ASP  13  -3.443  -3.788  -5.472
  102    H    ASN  14           H        ASN  14  -6.130  -1.134  -5.354
  103    HA   ASN  14           HA       ASN  14  -4.094   0.748  -6.380
  104   1HB   ASN  14          2HB       ASN  14  -5.855   1.427  -7.858
  105   2HB   ASN  14          1HB       ASN  14  -5.994  -0.324  -7.700
  106   1HD2  ASN  14          1HD2      ASN  14  -8.284   1.053  -8.469
  107   2HD2  ASN  14          2HD2      ASN  14  -9.398   1.096  -7.190
  108    H    ASP  15           H        ASP  15  -4.387   0.979  -3.578
  109    HA   ASP  15           HA       ASP  15  -5.862   3.568  -3.317
  110   1HB   ASP  15          2HB       ASP  15  -6.085   1.146  -1.959
  111   2HB   ASP  15          1HB       ASP  15  -5.339   2.249  -0.813
  112    H    CYS  16           H        CYS  16  -2.900   1.803  -2.711
  113    HA   CYS  16           HA       CYS  16  -1.608   3.893  -1.103
  114   1HB   CYS  16          2HB       CYS  16  -0.581   1.476  -2.646
  115   2HB   CYS  16          1HB       CYS  16   0.334   2.379  -1.430
  116    H    CYS  17           H        CYS  17   0.256   5.121  -1.892
  117    HA   CYS  17           HA       CYS  17  -0.070   6.119  -4.624
  118   1HB   CYS  17          2HB       CYS  17   1.772   6.665  -2.290
  119   2HB   CYS  17          1HB       CYS  17   2.004   7.446  -3.855
  120    H    GLY  18           H        GLY  18   1.482   3.454  -3.228
  121   1HA   GLY  18          2HA       GLY  18   3.677   3.445  -5.240
  122   2HA   GLY  18          1HA       GLY  18   3.531   2.336  -3.872
  123    H    LYS  19           H        LYS  19   0.486   2.505  -4.914
  124    HA   LYS  19           HA       LYS  19  -0.891   1.112  -6.210
  125   1HB   LYS  19          2HB       LYS  19   1.539   1.720  -7.759
  126   2HB   LYS  19          1HB       LYS  19   0.732   0.240  -8.276
  127   1HG   LYS  19          2HG       LYS  19  -1.445   1.688  -8.165
  128   2HG   LYS  19          1HG       LYS  19  -0.329   3.054  -8.242
  129   1HD   LYS  19          2HD       LYS  19   0.715   1.611 -10.231
  130   2HD   LYS  19          1HD       LYS  19  -0.930   0.979 -10.306
  131   1HE   LYS  19          2HE       LYS  19  -1.766   3.362 -10.390
  132   2HE   LYS  19          1HE       LYS  19  -0.076   3.882 -10.552
  133   1HZ   LYS  19          1HZ       LYS  19  -1.704   2.270 -12.397
  134   2HZ   LYS  19          2HZ       LYS  19  -0.023   2.028 -12.350
  135   3HZ   LYS  19          3HZ       LYS  19  -0.653   3.555 -12.741
  136    H    LYS  20           H        LYS  20   1.224   0.072  -4.170
  137    HA   LYS  20           HA       LYS  20   0.828  -2.799  -4.881
  138   1HB   LYS  20          2HB       LYS  20   3.204  -1.445  -5.209
  139   2HB   LYS  20          1HB       LYS  20   3.393  -2.133  -3.595
  140   1HG   LYS  20          2HG       LYS  20   2.406  -4.298  -4.803
  141   2HG   LYS  20          1HG       LYS  20   3.105  -3.521  -6.224
  142   1HD   LYS  20          2HD       LYS  20   5.163  -4.177  -5.603
  143   2HD   LYS  20          1HD       LYS  20   4.982  -3.346  -4.058
  144   1HE   LYS  20          2HE       LYS  20   5.313  -5.605  -3.422
  145   2HE   LYS  20          1HE       LYS  20   3.547  -5.440  -3.387
  146   1HZ   LYS  20          1HZ       LYS  20   4.159  -7.368  -4.692
  147   2HZ   LYS  20          2HZ       LYS  20   5.174  -6.422  -5.674
  148   3HZ   LYS  20          3HZ       LYS  20   3.492  -6.183  -5.707
  149    H    CYS  21           H        CYS  21  -0.913  -2.343  -3.174
  150    HA   CYS  21           HA       CYS  21  -0.018  -1.874  -0.427
  151   1HB   CYS  21          2HB       CYS  21  -2.234  -1.167  -1.171
  152   2HB   CYS  21          1HB       CYS  21  -2.614  -2.798  -1.727
  153    H    LYS  22           H        LYS  22   0.889  -3.560   0.806
  154    HA   LYS  22           HA       LYS  22   0.623  -6.329  -0.256
  155   1HB   LYS  22          2HB       LYS  22   2.834  -5.267   0.126
  156   2HB   LYS  22          1HB       LYS  22   2.450  -5.136   1.842
  157   1HG   LYS  22          2HG       LYS  22   1.937  -7.826   0.990
  158   2HG   LYS  22          1HG       LYS  22   3.562  -7.369   0.480
  159   1HD   LYS  22          2HD       LYS  22   4.022  -6.569   2.801
  160   2HD   LYS  22          1HD       LYS  22   2.433  -7.162   3.286
  161   1HE   LYS  22          2HE       LYS  22   3.516  -9.356   1.985
  162   2HE   LYS  22          1HE       LYS  22   4.912  -8.669   2.839
  163   1HZ   LYS  22          1HZ       LYS  22   3.889  -9.936   4.471
  164   2HZ   LYS  22          2HZ       LYS  22   2.320  -9.550   3.945
  165   3HZ   LYS  22          3HZ       LYS  22   3.253  -8.392   4.766
  166    H    ARG  23           H        ARG  23  -1.012  -7.493   0.634
  167    HA   ARG  23           HA       ARG  23  -2.063  -7.065   3.308
  168   1HB   ARG  23          2HB       ARG  23  -3.750  -8.454   2.574
  169   2HB   ARG  23          1HB       ARG  23  -3.116  -7.920   1.027
  170   1HG   ARG  23          2HG       ARG  23  -2.997 -10.155   0.580
  171   2HG   ARG  23          1HG       ARG  23  -1.502 -10.071   1.506
  172   1HD   ARG  23          2HD       ARG  23  -3.114 -11.905   2.235
  173   2HD   ARG  23          1HD       ARG  23  -2.659 -10.784   3.529
  174    HE   ARG  23           HE       ARG  23  -5.208 -10.561   1.974
  175   1HH1  ARG  23          1HH1      ARG  23  -4.214 -11.406   4.981
  176   2HH1  ARG  23          2HH1      ARG  23  -5.066 -10.171   5.846
  177   1HH2  ARG  23          1HH2      ARG  23  -5.912  -8.386   2.996
  178   2HH2  ARG  23          2HH2      ARG  23  -6.026  -8.462   4.723
  179    H    ARG  24           H        ARG  24  -2.192  -9.101   4.808
  180    HA   ARG  24           HA       ARG  24   0.538 -10.195   5.095
  181   1HB   ARG  24          2HB       ARG  24  -1.602  -9.477   6.779
  182   2HB   ARG  24          1HB       ARG  24  -1.481 -11.232   6.912
  183   1HG   ARG  24          2HG       ARG  24   1.158 -10.513   6.989
  184   2HG   ARG  24          1HG       ARG  24   0.406  -9.143   7.808
  185   1HD   ARG  24          2HD       ARG  24   0.441 -10.471   9.663
  186   2HD   ARG  24          1HD       ARG  24  -0.915 -11.331   8.907
  187    HE   ARG  24           HE       ARG  24   1.841 -12.120   8.119
  188   1HH1  ARG  24          1HH2      ARG  24   0.680 -12.888  10.938
  189   2HH1  ARG  24          2HH2      ARG  24   0.178 -14.512  10.606
  190   1HH2  ARG  24          1HH1      ARG  24   0.414 -14.161   7.163
  191   2HH2  ARG  24          2HH1      ARG  24   0.026 -15.232   8.468
  192    H    GLY  25           H        GLY  25  -0.486 -11.149   2.746
  193   1HA   GLY  25          2HA       GLY  25  -0.400 -13.995   3.073
  194   2HA   GLY  25          1HA       GLY  25  -2.070 -13.490   2.810
  195    H    THR  26           H        THR  26  -2.713 -13.035   0.724
  196    HA   THR  26           HA       THR  26  -0.571 -13.061  -1.381
  197    HB   THR  26           HB       THR  26  -2.202 -14.982  -1.250
  198    HG1  THR  26           1HG      THR  26  -1.223 -14.131  -3.238
  199   1HG2  THR  26          1HG2      THR  26  -4.428 -13.673  -2.478
  200   2HG2  THR  26          2HG2      THR  26  -4.041 -12.816  -0.986
  201   3HG2  THR  26          3HG2      THR  26  -4.385 -14.545  -0.944
  202    H    ASN  27           H        ASN  27  -0.914 -10.605  -0.365
  203    HA   ASN  27           HA       ASN  27  -1.524  -8.400  -0.857
  204   1HB   ASN  27          2HB       ASN  27  -1.361  -7.907  -3.096
  205   2HB   ASN  27          1HB       ASN  27  -0.694  -9.537  -3.095
  206   1HD2  ASN  27          1HD2      ASN  27  -3.849  -7.837  -3.508
  207   2HD2  ASN  27          2HD2      ASN  27  -4.463  -8.938  -4.645
  208    H    ALA  28           H        ALA  28  -3.323  -7.082  -0.757
  209    HA   ALA  28           HA       ALA  28  -5.934  -7.643  -1.684
  210   1HB   ALA  28          1HB       ALA  28  -6.824  -8.373   0.655
  211   2HB   ALA  28          2HB       ALA  28  -5.146  -8.800   0.984
  212   3HB   ALA  28          3HB       ALA  28  -6.011  -9.585  -0.337
  213    H    GLU  29           H        GLU  29  -4.603  -6.662   1.500
  214    HA   GLU  29           HA       GLU  29  -4.895  -3.847   1.065
  215   1HB   GLU  29          2HB       GLU  29  -7.050  -3.432   2.125
  216   2HB   GLU  29          1HB       GLU  29  -7.279  -4.579   0.811
  217   1HG   GLU  29          2HG       GLU  29  -6.652  -6.179   3.013
  218   2HG   GLU  29          1HG       GLU  29  -7.728  -4.940   3.662
  219    H    LYS  30           H        LYS  30  -2.826  -4.811   2.529
  220    HA   LYS  30           HA       LYS  30  -3.688  -4.513   5.366
  221   1HB   LYS  30          2HB       LYS  30  -1.359  -5.824   4.084
  222   2HB   LYS  30          1HB       LYS  30  -1.217  -5.240   5.733
  223   1HG   LYS  30          2HG       LYS  30  -3.271  -7.217   4.704
  224   2HG   LYS  30          1HG       LYS  30  -1.940  -7.557   5.811
  225   1HD   LYS  30          2HD       LYS  30  -3.323  -5.386   6.947
  226   2HD   LYS  30          1HD       LYS  30  -4.572  -6.505   6.398
  227   1HE   LYS  30          2HE       LYS  30  -4.003  -7.209   8.625
  228   2HE   LYS  30          1HE       LYS  30  -3.176  -8.353   7.548
  229   1HZ   LYS  30          1HZ       LYS  30  -2.053  -6.038   8.997
  230   2HZ   LYS  30          2HZ       LYS  30  -1.302  -6.617   7.586
  231   3HZ   LYS  30          3HZ       LYS  30  -1.479  -7.632   8.937
  232    H    ARG  31           H        ARG  31  -0.504  -3.866   4.019
  233    HA   ARG  31           HA       ARG  31  -0.889  -0.964   4.677
  234   1HB   ARG  31          2HB       ARG  31   0.662  -2.861   6.045
  235   2HB   ARG  31          1HB       ARG  31   1.817  -1.946   5.075
  236   1HG   ARG  31          2HG       ARG  31   1.128   0.129   6.028
  237   2HG   ARG  31          1HG       ARG  31  -0.296  -0.604   6.767
  238   1HD   ARG  31          2HD       ARG  31   1.247  -2.028   8.168
  239   2HD   ARG  31          1HD       ARG  31   2.604  -1.076   7.531
  240    HE   ARG  31           HE       ARG  31   0.356   0.476   8.649
  241   1HH1  ARG  31          1HH2      ARG  31   2.040  -1.317  10.602
  242   2HH1  ARG  31          2HH2      ARG  31   3.120  -0.117  11.230
  243   1HH2  ARG  31          1HH1      ARG  31   2.374   2.218   8.780
  244   2HH2  ARG  31          2HH1      ARG  31   3.310   1.884  10.198
  245    H    CYS  32           H        CYS  32   0.275   0.464   3.322
  246    HA   CYS  32           HA       CYS  32   0.794  -0.449   0.626
  247   1HB   CYS  32          2HB       CYS  32   1.506   2.124   2.077
  248   2HB   CYS  32          1HB       CYS  32   1.454   1.912   0.323
  249    H    ARG  33           H        ARG  33   2.591  -1.694   0.178
  250    HA   ARG  33           HA       ARG  33   5.229  -0.722   1.195
  251   1HB   ARG  33          2HB       ARG  33   4.486  -3.649   1.151
  252   2HB   ARG  33          1HB       ARG  33   5.784  -2.862   2.048
  253   1HG   ARG  33          2HG       ARG  33   3.783  -1.553   3.181
  254   2HG   ARG  33          1HG       ARG  33   2.849  -2.950   2.652
  255   1HD   ARG  33          2HD       ARG  33   4.961  -4.242   3.732
  256   2HD   ARG  33          1HD       ARG  33   4.963  -2.780   4.739
  257    HE   ARG  33           HE       ARG  33   2.266  -3.641   4.488
  258   1HH1  ARG  33          1HH2      ARG  33   4.704  -3.509   6.700
  259   2HH1  ARG  33          2HH2      ARG  33   4.242  -4.912   7.602
  260   1HH2  ARG  33          1HH1      ARG  33   1.902  -5.966   5.270
  261   2HH2  ARG  33          2HH1      ARG  33   2.656  -6.305   6.792
  Start of MODEL    9
    1   1H    GLY   1          1HT       GLY   1  -3.635  13.560  -6.553
    2   2H    GLY   1          2HT       GLY   1  -2.049  13.205  -7.050
    3   3H    GLY   1          3HT       GLY   1  -2.662  12.536  -5.614
    4   1HA   GLY   1          2HA       GLY   1  -3.945  11.989  -8.215
    5   2HA   GLY   1          1HA       GLY   1  -2.565  11.040  -7.660
    6    H    ASP   2           H        ASP   2  -4.630  12.346  -5.223
    7    HA   ASP   2           HA       ASP   2  -5.890  11.188  -3.576
    8   1HB   ASP   2          2HB       ASP   2  -7.065  11.238  -6.087
    9   2HB   ASP   2          1HB       ASP   2  -7.195   9.540  -5.626
   10    H    CYS   3           H        CYS   3  -3.779   9.980  -3.012
   11    HA   CYS   3           HA       CYS   3  -4.239   7.053  -3.381
   12   1HB   CYS   3          2HB       CYS   3  -1.972   6.734  -4.081
   13   2HB   CYS   3          1HB       CYS   3  -2.585   8.087  -5.033
   14    H    LEU   4           H        LEU   4  -3.061   5.773  -1.745
   15    HA   LEU   4           HA       LEU   4  -2.934   7.168   0.862
   16   1HB   LEU   4          2HB       LEU   4  -2.587   4.255   0.063
   17   2HB   LEU   4          1HB       LEU   4  -2.819   4.853   1.701
   18    HG   LEU   4           HG       LEU   4  -4.791   5.004  -0.590
   19   1HD1  LEU   4          1HD1      LEU   4  -4.422   2.893   0.931
   20   2HD1  LEU   4          2HD1      LEU   4  -6.062   3.454   0.610
   21   3HD1  LEU   4          3HD1      LEU   4  -5.278   3.848   2.140
   22   1HD2  LEU   4          1HD2      LEU   4  -5.195   7.035   0.473
   23   2HD2  LEU   4          2HD2      LEU   4  -4.629   6.445   2.036
   24   3HD2  LEU   4          3HD2      LEU   4  -6.214   5.961   1.430
   25    HA   PRO   5           HA       PRO   5   1.446   7.451   1.132
   26   1HB   PRO   5          2HB       PRO   5   1.945   6.431   3.627
   27   2HB   PRO   5          1HB       PRO   5   1.181   8.019   3.379
   28   1HG   PRO   5          2HG       PRO   5  -0.117   5.364   3.851
   29   2HG   PRO   5          1HG       PRO   5  -0.409   6.899   4.692
   30   1HD   PRO   5          2HD       PRO   5  -2.059   6.113   2.799
   31   2HD   PRO   5          1HD       PRO   5  -1.534   7.815   2.846
   32    H    HIS   6           H        HIS   6   3.450   6.006   1.498
   33    HA   HIS   6           HA       HIS   6   2.914   3.375   0.419
   34   1HB   HIS   6          2HB       HIS   6   4.577   4.756  -0.660
   35   2HB   HIS   6          1HB       HIS   6   5.408   5.006   0.875
   36    HD1  HIS   6           1HD      HIS   6   7.607   3.862   0.217
   37    HD2  HIS   6           2HD      HIS   6   4.278   1.406  -0.290
   38    HE1  HIS   6           1HE      HIS   6   8.496   1.534  -0.232
   39    H    LEU   7           H        LEU   7   2.343   3.950   3.260
   40    HA   LEU   7           HA       LEU   7   3.615   1.628   4.379
   41   1HB   LEU   7          2HB       LEU   7   4.572   4.355   4.832
   42   2HB   LEU   7          1HB       LEU   7   4.288   3.461   6.326
   43    HG   LEU   7           HG       LEU   7   6.072   2.647   4.018
   44   1HD1  LEU   7          1HD1      LEU   7   7.759   3.402   5.312
   45   2HD1  LEU   7          2HD1      LEU   7   7.126   2.567   6.731
   46   3HD1  LEU   7          3HD1      LEU   7   6.527   4.172   6.312
   47   1HD2  LEU   7          1HD2      LEU   7   5.703   0.502   4.610
   48   2HD2  LEU   7          2HD2      LEU   7   4.595   1.015   5.883
   49   3HD2  LEU   7          3HD2      LEU   7   6.320   0.875   6.220
   50    H    LYS   8           H        LYS   8   0.873   3.325   4.114
   51    HA   LYS   8           HA       LYS   8   0.027   2.855   6.954
   52   1HB   LYS   8          2HB       LYS   8  -0.107   5.160   5.823
   53   2HB   LYS   8          1HB       LYS   8  -1.389   4.473   4.825
   54   1HG   LYS   8          2HG       LYS   8  -2.840   4.203   6.627
   55   2HG   LYS   8          1HG       LYS   8  -1.530   4.198   7.809
   56   1HD   LYS   8          2HD       LYS   8  -1.790   6.410   8.121
   57   2HD   LYS   8          1HD       LYS   8  -1.459   6.694   6.412
   58   1HE   LYS   8          2HE       LYS   8  -3.624   7.550   6.554
   59   2HE   LYS   8          1HE       LYS   8  -3.995   5.858   6.166
   60   1HZ   LYS   8          1HZ       LYS   8  -5.210   6.557   8.134
   61   2HZ   LYS   8          2HZ       LYS   8  -3.760   7.007   8.898
   62   3HZ   LYS   8          3HZ       LYS   8  -4.064   5.373   8.541
   63    H    ARG   9           H        ARG   9  -2.177   1.948   7.221
   64    HA   ARG   9           HA       ARG   9  -2.638  -0.412   5.717
   65   1HB   ARG   9          2HB       ARG   9  -3.462   0.366   8.042
   66   2HB   ARG   9          1HB       ARG   9  -4.752   1.190   7.168
   67   1HG   ARG   9          2HG       ARG   9  -4.310  -1.621   6.369
   68   2HG   ARG   9          1HG       ARG   9  -4.905  -1.399   8.014
   69   1HD   ARG   9          2HD       ARG   9  -6.922  -0.495   7.309
   70   2HD   ARG   9          1HD       ARG   9  -6.217   0.172   5.823
   71    HE   ARG   9           HE       ARG   9  -6.053  -2.216   5.004
   72   1HH1  ARG   9          1HH1      ARG   9  -6.703  -3.712   7.437
   73   2HH1  ARG   9          2HH1      ARG   9  -8.397  -4.031   7.270
   74   1HH2  ARG   9          1HH2      ARG   9  -8.884  -1.612   4.835
   75   2HH2  ARG   9          2HH2      ARG   9  -9.631  -2.843   5.798
   76    H    CYS  10           H        CYS  10  -3.460  -0.639   3.667
   77    HA   CYS  10           HA       CYS  10  -4.830   1.710   2.440
   78   1HB   CYS  10          2HB       CYS  10  -4.057   0.829   0.386
   79   2HB   CYS  10          1HB       CYS  10  -2.755   0.459   1.512
   80    H    LYS  11           H        LYS  11  -6.889   1.484   1.469
   81    HA   LYS  11           HA       LYS  11  -8.557  -0.688   2.562
   82   1HB   LYS  11          2HB       LYS  11  -8.925   1.961   2.121
   83   2HB   LYS  11          1HB       LYS  11  -9.601   1.317   0.624
   84   1HG   LYS  11          2HG       LYS  11 -10.712  -0.381   2.441
   85   2HG   LYS  11          1HG       LYS  11 -10.611   1.098   3.398
   86   1HD   LYS  11          2HD       LYS  11 -11.554   2.127   1.085
   87   2HD   LYS  11          1HD       LYS  11 -12.252   0.510   0.993
   88   1HE   LYS  11          2HE       LYS  11 -13.879   1.229   2.399
   89   2HE   LYS  11          1HE       LYS  11 -12.642   1.358   3.665
   90   1HZ   LYS  11          1HZ       LYS  11 -13.816   3.491   3.117
   91   2HZ   LYS  11          2HZ       LYS  11 -13.068   3.437   1.591
   92   3HZ   LYS  11          3HZ       LYS  11 -12.125   3.555   3.001
   93    H    ALA  12           H        ALA  12  -6.780  -0.049  -0.292
   94    HA   ALA  12           HA       ALA  12  -7.793  -2.495  -1.563
   95   1HB   ALA  12          1HB       ALA  12  -8.439   0.294  -2.485
   96   2HB   ALA  12          2HB       ALA  12  -9.499  -1.113  -2.390
   97   3HB   ALA  12          3HB       ALA  12  -8.293  -1.001  -3.673
   98    H    ASP  13           H        ASP  13  -6.243  -3.336  -2.974
   99    HA   ASP  13           HA       ASP  13  -3.562  -2.640  -2.844
  100   1HB   ASP  13          2HB       ASP  13  -4.992  -3.707  -5.299
  101   2HB   ASP  13          1HB       ASP  13  -3.323  -4.029  -4.817
  102    H    ASN  14           H        ASN  14  -6.042  -1.329  -5.012
  103    HA   ASN  14           HA       ASN  14  -4.072   0.358  -6.430
  104   1HB   ASN  14          2HB       ASN  14  -7.043  -0.172  -6.618
  105   2HB   ASN  14          1HB       ASN  14  -6.241   1.035  -7.622
  106   1HD2  ASN  14          1HD2      ASN  14  -7.412  -1.886  -8.080
  107   2HD2  ASN  14          2HD2      ASN  14  -6.201  -2.614  -9.019
  108    H    ASP  15           H        ASP  15  -4.542   0.883  -3.529
  109    HA   ASP  15           HA       ASP  15  -5.795   3.591  -3.727
  110   1HB   ASP  15          2HB       ASP  15  -6.242   1.415  -2.043
  111   2HB   ASP  15          1HB       ASP  15  -5.474   2.643  -1.039
  112    H    CYS  16           H        CYS  16  -2.920   1.819  -2.916
  113    HA   CYS  16           HA       CYS  16  -1.590   3.961  -1.405
  114   1HB   CYS  16          2HB       CYS  16  -0.591   1.473  -2.854
  115   2HB   CYS  16          1HB       CYS  16   0.327   2.404  -1.661
  116    H    CYS  17           H        CYS  17   0.344   5.105  -2.318
  117    HA   CYS  17           HA       CYS  17  -0.102   5.980  -5.075
  118   1HB   CYS  17          2HB       CYS  17   1.194   6.894  -2.718
  119   2HB   CYS  17          1HB       CYS  17   2.370   6.834  -4.028
  120    H    GLY  18           H        GLY  18   1.603   3.448  -3.566
  121   1HA   GLY  18          2HA       GLY  18   3.633   3.259  -5.715
  122   2HA   GLY  18          1HA       GLY  18   3.515   2.199  -4.307
  123    H    LYS  19           H        LYS  19   0.437   2.361  -5.181
  124    HA   LYS  19           HA       LYS  19  -1.022   0.949  -6.366
  125   1HB   LYS  19          2HB       LYS  19   1.328   1.479  -8.086
  126   2HB   LYS  19          1HB       LYS  19   0.397   0.051  -8.538
  127   1HG   LYS  19          2HG       LYS  19  -1.582   1.897  -8.013
  128   2HG   LYS  19          1HG       LYS  19  -0.324   2.892  -8.745
  129   1HD   LYS  19          2HD       LYS  19  -0.408   1.760 -10.768
  130   2HD   LYS  19          1HD       LYS  19  -0.990   0.269 -10.026
  131   1HE   LYS  19          2HE       LYS  19  -3.064   0.882 -10.731
  132   2HE   LYS  19          1HE       LYS  19  -3.006   2.151  -9.491
  133   1HZ   LYS  19          1HZ       LYS  19  -3.338   2.991 -11.805
  134   2HZ   LYS  19          2HZ       LYS  19  -1.778   2.427 -12.178
  135   3HZ   LYS  19          3HZ       LYS  19  -1.988   3.643 -11.010
  136    H    LYS  20           H        LYS  20   1.404  -0.053  -4.571
  137    HA   LYS  20           HA       LYS  20   0.882  -2.945  -5.120
  138   1HB   LYS  20          2HB       LYS  20   3.481  -1.449  -4.724
  139   2HB   LYS  20          1HB       LYS  20   3.370  -3.185  -4.436
  140   1HG   LYS  20          2HG       LYS  20   2.120  -2.939  -6.871
  141   2HG   LYS  20          1HG       LYS  20   3.372  -1.702  -6.981
  142   1HD   LYS  20          2HD       LYS  20   5.097  -3.236  -6.840
  143   2HD   LYS  20          1HD       LYS  20   4.142  -4.381  -5.899
  144   1HE   LYS  20          2HE       LYS  20   2.740  -4.773  -7.989
  145   2HE   LYS  20          1HE       LYS  20   3.967  -3.850  -8.880
  146   1HZ   LYS  20          1HZ       LYS  20   4.958  -5.867  -7.035
  147   2HZ   LYS  20          2HZ       LYS  20   5.524  -5.437  -8.578
  148   3HZ   LYS  20          3HZ       LYS  20   4.179  -6.461  -8.418
  149    H    CYS  21           H        CYS  21  -0.696  -2.451  -3.289
  150    HA   CYS  21           HA       CYS  21   0.420  -1.800  -0.666
  151   1HB   CYS  21          2HB       CYS  21  -1.882  -1.193  -1.418
  152   2HB   CYS  21          1HB       CYS  21  -2.283  -2.911  -1.507
  153    H    LYS  22           H        LYS  22   1.178  -3.310   0.815
  154    HA   LYS  22           HA       LYS  22   1.296  -6.137   0.046
  155   1HB   LYS  22          2HB       LYS  22   2.920  -4.506   1.414
  156   2HB   LYS  22          1HB       LYS  22   2.000  -5.142   2.775
  157   1HG   LYS  22          2HG       LYS  22   3.709  -6.717   2.616
  158   2HG   LYS  22          1HG       LYS  22   2.460  -7.464   1.619
  159   1HD   LYS  22          2HD       LYS  22   4.009  -5.619   0.026
  160   2HD   LYS  22          1HD       LYS  22   5.081  -6.767   0.827
  161   1HE   LYS  22          2HE       LYS  22   2.658  -8.024  -0.278
  162   2HE   LYS  22          1HE       LYS  22   3.710  -7.294  -1.506
  163   1HZ   LYS  22          1HZ       LYS  22   4.888  -8.846   0.699
  164   2HZ   LYS  22          2HZ       LYS  22   5.510  -8.551  -0.854
  165   3HZ   LYS  22          3HZ       LYS  22   4.244  -9.663  -0.640
  166    H    ARG  23           H        ARG  23   0.260  -7.836   1.223
  167    HA   ARG  23           HA       ARG  23  -1.950  -7.029   3.030
  168   1HB   ARG  23          2HB       ARG  23  -3.451  -8.358   1.859
  169   2HB   ARG  23          1HB       ARG  23  -2.457  -7.718   0.560
  170   1HG   ARG  23          2HG       ARG  23  -2.139 -10.426   1.896
  171   2HG   ARG  23          1HG       ARG  23  -2.773 -10.143   0.290
  172   1HD   ARG  23          2HD       ARG  23   0.063  -9.659   1.248
  173   2HD   ARG  23          1HD       ARG  23  -0.474 -10.787  -0.009
  174    HE   ARG  23           HE       ARG  23  -1.382  -8.170  -0.694
  175   1HH1  ARG  23          1HH1      ARG  23   1.263 -10.349  -0.802
  176   2HH1  ARG  23          2HH1      ARG  23   2.218  -9.358  -1.854
  177   1HH2  ARG  23          1HH2      ARG  23  -0.059  -6.744  -1.891
  178   2HH2  ARG  23          2HH2      ARG  23   1.469  -7.317  -2.471
  179    H    ARG  24           H        ARG  24  -2.856  -9.527   3.717
  180    HA   ARG  24           HA       ARG  24  -0.457 -10.917   4.870
  181   1HB   ARG  24          2HB       ARG  24  -2.534  -9.474   6.143
  182   2HB   ARG  24          1HB       ARG  24  -2.864 -11.178   6.455
  183   1HG   ARG  24          2HG       ARG  24  -0.491 -11.453   7.202
  184   2HG   ARG  24          1HG       ARG  24  -0.270  -9.712   7.014
  185   1HD   ARG  24          2HD       ARG  24  -2.632 -10.020   8.541
  186   2HD   ARG  24          1HD       ARG  24  -1.442 -11.136   9.238
  187    HE   ARG  24           HE       ARG  24  -0.422  -8.450   8.578
  188   1HH1  ARG  24          1HH1      ARG  24  -2.301 -10.081  10.905
  189   2HH1  ARG  24          2HH1      ARG  24  -1.428  -9.460  12.266
  190   1HH2  ARG  24          1HH2      ARG  24   0.976  -7.873  10.340
  191   2HH2  ARG  24          2HH2      ARG  24   0.426  -8.210  11.946
  192    H    GLY  25           H        GLY  25  -1.270 -11.951   2.521
  193   1HA   GLY  25          2HA       GLY  25  -1.946 -14.608   2.947
  194   2HA   GLY  25          1HA       GLY  25  -3.503 -13.801   2.759
  195    H    THR  26           H        THR  26  -4.141 -14.437   0.724
  196    HA   THR  26           HA       THR  26  -2.249 -14.570  -1.518
  197    HB   THR  26           HB       THR  26  -4.446 -15.138  -2.705
  198    HG1  THR  26           1HG      THR  26  -6.006 -15.763  -0.900
  199   1HG2  THR  26          1HG2      THR  26  -3.058 -16.940  -2.005
  200   2HG2  THR  26          2HG2      THR  26  -4.668 -17.319  -1.393
  201   3HG2  THR  26          3HG2      THR  26  -3.442 -16.669  -0.305
  202    H    ASN  27           H        ASN  27  -1.957 -12.070  -0.837
  203    HA   ASN  27           HA       ASN  27  -2.101  -9.857  -1.631
  204   1HB   ASN  27          2HB       ASN  27  -3.774 -11.125  -3.800
  205   2HB   ASN  27          1HB       ASN  27  -2.902  -9.596  -3.889
  206   1HD2  ASN  27          1HD2      ASN  27  -2.539 -13.092  -4.064
  207   2HD2  ASN  27          2HD2      ASN  27  -0.892 -13.090  -4.474
  208    H    ALA  28           H        ALA  28  -3.518  -8.099  -1.447
  209    HA   ALA  28           HA       ALA  28  -6.336  -8.148  -1.579
  210   1HB   ALA  28          1HB       ALA  28  -6.698  -9.563   0.185
  211   2HB   ALA  28          2HB       ALA  28  -6.379  -8.127   1.158
  212   3HB   ALA  28          3HB       ALA  28  -5.087  -9.287   0.848
  213    H    GLU  29           H        GLU  29  -4.548  -7.001   1.244
  214    HA   GLU  29           HA       GLU  29  -3.691  -4.471   0.444
  215   1HB   GLU  29          2HB       GLU  29  -5.824  -3.159   1.201
  216   2HB   GLU  29          1HB       GLU  29  -5.775  -3.851  -0.417
  217   1HG   GLU  29          2HG       GLU  29  -7.533  -5.186   0.038
  218   2HG   GLU  29          1HG       GLU  29  -6.749  -5.804   1.492
  219    H    LYS  30           H        LYS  30  -2.341  -5.216   2.386
  220    HA   LYS  30           HA       LYS  30  -3.692  -4.739   4.981
  221   1HB   LYS  30          2HB       LYS  30  -1.091  -5.987   4.170
  222   2HB   LYS  30          1HB       LYS  30  -1.322  -5.412   5.815
  223   1HG   LYS  30          2HG       LYS  30  -2.676  -7.704   4.430
  224   2HG   LYS  30          1HG       LYS  30  -2.015  -7.616   6.051
  225   1HD   LYS  30          2HD       LYS  30  -4.574  -6.337   5.065
  226   2HD   LYS  30          1HD       LYS  30  -4.436  -7.708   6.162
  227   1HE   LYS  30          2HE       LYS  30  -2.876  -5.412   7.095
  228   2HE   LYS  30          1HE       LYS  30  -4.605  -5.041   6.950
  229   1HZ   LYS  30          1HZ       LYS  30  -3.654  -7.572   8.153
  230   2HZ   LYS  30          2HZ       LYS  30  -5.184  -6.845   8.293
  231   3HZ   LYS  30          3HZ       LYS  30  -3.842  -6.170   9.088
  232    H    ARG  31           H        ARG  31  -0.427  -3.912   3.874
  233    HA   ARG  31           HA       ARG  31  -0.970  -1.081   4.712
  234   1HB   ARG  31          2HB       ARG  31   0.665  -2.996   5.937
  235   2HB   ARG  31          1HB       ARG  31   1.786  -1.982   5.026
  236   1HG   ARG  31          2HG       ARG  31   1.454  -1.056   7.273
  237   2HG   ARG  31          1HG       ARG  31   0.774   0.034   6.064
  238   1HD   ARG  31          2HD       ARG  31  -1.083  -0.047   7.411
  239   2HD   ARG  31          1HD       ARG  31  -1.377  -1.591   6.588
  240    HE   ARG  31           HE       ARG  31   0.227  -2.483   8.511
  241   1HH1  ARG  31          1HH1      ARG  31  -0.479   0.437   9.594
  242   2HH1  ARG  31          2HH1      ARG  31  -1.564  -0.015  10.865
  243   1HH2  ARG  31          1HH2      ARG  31  -1.914  -3.285   9.770
  244   2HH2  ARG  31          2HH2      ARG  31  -2.376  -2.121  10.966
  245    H    CYS  32           H        CYS  32  -0.221   0.464   3.259
  246    HA   CYS  32           HA       CYS  32   0.401  -0.152   0.572
  247   1HB   CYS  32          2HB       CYS  32   0.973   2.213   2.365
  248   2HB   CYS  32          1HB       CYS  32   1.336   2.231   0.638
  249    H    ARG  33           H        ARG  33   2.270  -0.966  -0.351
  250    HA   ARG  33           HA       ARG  33   4.899  -0.287   0.833
  251   1HB   ARG  33          2HB       ARG  33   3.763  -3.091   0.654
  252   2HB   ARG  33          1HB       ARG  33   5.446  -2.733   1.026
  253   1HG   ARG  33          2HG       ARG  33   4.702  -1.398   2.993
  254   2HG   ARG  33          1HG       ARG  33   3.037  -1.858   2.648
  255   1HD   ARG  33          2HD       ARG  33   4.306  -4.306   2.648
  256   2HD   ARG  33          1HD       ARG  33   5.162  -3.428   3.931
  257    HE   ARG  33           HE       ARG  33   2.162  -3.542   3.844
  258   1HH1  ARG  33          1HH2      ARG  33   4.133  -1.987   5.779
  259   2HH1  ARG  33          2HH2      ARG  33   3.936  -2.953   7.203
  260   1HH2  ARG  33          1HH1      ARG  33   2.368  -5.559   5.539
  261   2HH2  ARG  33          2HH1      ARG  33   2.934  -4.974   7.067
  Start of MODEL   10
    1   1H    GLY   1          1HT       GLY   1  -3.557   9.045  -9.395
    2   2H    GLY   1          2HT       GLY   1  -4.723  10.013 -10.165
    3   3H    GLY   1          3HT       GLY   1  -5.046   9.339  -8.638
    4   1HA   GLY   1          2HA       GLY   1  -2.729  11.116  -8.943
    5   2HA   GLY   1          1HA       GLY   1  -4.344  11.819  -8.836
    6    H    ASP   2           H        ASP   2  -5.589  11.429  -6.896
    7    HA   ASP   2           HA       ASP   2  -4.094  11.523  -4.469
    8   1HB   ASP   2          2HB       ASP   2  -6.645  12.043  -5.299
    9   2HB   ASP   2          1HB       ASP   2  -6.892  10.568  -4.364
   10    H    CYS   3           H        CYS   3  -3.227   9.888  -3.273
   11    HA   CYS   3           HA       CYS   3  -4.447   7.185  -3.324
   12   1HB   CYS   3          2HB       CYS   3  -2.094   6.281  -3.802
   13   2HB   CYS   3          1HB       CYS   3  -2.937   7.026  -5.162
   14    H    LEU   4           H        LEU   4  -3.147   5.745  -1.708
   15    HA   LEU   4           HA       LEU   4  -2.746   7.328   0.747
   16   1HB   LEU   4          2HB       LEU   4  -2.595   4.337   0.231
   17   2HB   LEU   4          1HB       LEU   4  -2.760   5.114   1.799
   18    HG   LEU   4           HG       LEU   4  -4.772   5.317  -0.458
   19   1HD1  LEU   4          1HD1      LEU   4  -5.311   3.995   2.172
   20   2HD1  LEU   4          2HD1      LEU   4  -4.410   3.095   0.951
   21   3HD1  LEU   4          3HD1      LEU   4  -6.035   3.684   0.595
   22   1HD2  LEU   4          1HD2      LEU   4  -5.575   7.074   0.692
   23   2HD2  LEU   4          2HD2      LEU   4  -4.321   6.877   1.916
   24   3HD2  LEU   4          3HD2      LEU   4  -5.848   6.007   2.070
   25    HA   PRO   5           HA       PRO   5   1.622   7.433   0.784
   26   1HB   PRO   5          2HB       PRO   5   2.185   6.702   3.367
   27   2HB   PRO   5          1HB       PRO   5   1.479   8.278   2.940
   28   1HG   PRO   5          2HG       PRO   5   0.092   5.779   3.830
   29   2HG   PRO   5          1HG       PRO   5  -0.112   7.434   4.431
   30   1HD   PRO   5          2HD       PRO   5  -1.846   6.414   2.718
   31   2HD   PRO   5          1HD       PRO   5  -1.299   8.099   2.534
   32    H    HIS   6           H        HIS   6   3.601   6.030   1.259
   33    HA   HIS   6           HA       HIS   6   3.056   3.293   0.494
   34   1HB   HIS   6          2HB       HIS   6   4.718   4.421  -0.781
   35   2HB   HIS   6          1HB       HIS   6   5.478   5.072   0.668
   36    HD1  HIS   6           1HD      HIS   6   7.775   4.006   0.458
   37    HD2  HIS   6           2HD      HIS   6   4.687   1.224   0.166
   38    HE1  HIS   6           1HE      HIS   6   8.863   1.720   0.521
   39    H    LEU   7           H        LEU   7   2.411   4.105   3.211
   40    HA   LEU   7           HA       LEU   7   3.727   1.980   4.613
   41   1HB   LEU   7          2HB       LEU   7   4.643   4.727   4.750
   42   2HB   LEU   7          1HB       LEU   7   4.214   4.110   6.347
   43    HG   LEU   7           HG       LEU   7   6.146   2.870   4.373
   44   1HD1  LEU   7          1HD1      LEU   7   7.807   3.345   6.026
   45   2HD1  LEU   7          2HD1      LEU   7   6.586   3.769   7.227
   46   3HD1  LEU   7          3HD1      LEU   7   6.865   4.824   5.842
   47   1HD2  LEU   7          1HD2      LEU   7   6.412   1.341   6.552
   48   2HD2  LEU   7          2HD2      LEU   7   5.229   0.959   5.300
   49   3HD2  LEU   7          3HD2      LEU   7   4.719   1.793   6.768
   50    H    LYS   8           H        LYS   8   0.945   3.053   3.963
   51    HA   LYS   8           HA       LYS   8  -0.087   2.956   6.780
   52   1HB   LYS   8          2HB       LYS   8  -0.115   5.242   5.723
   53   2HB   LYS   8          1HB       LYS   8  -1.180   4.596   4.473
   54   1HG   LYS   8          2HG       LYS   8  -2.493   3.754   6.692
   55   2HG   LYS   8          1HG       LYS   8  -1.769   5.240   7.306
   56   1HD   LYS   8          2HD       LYS   8  -2.924   5.528   4.620
   57   2HD   LYS   8          1HD       LYS   8  -4.112   5.108   5.855
   58   1HE   LYS   8          2HE       LYS   8  -3.817   7.091   7.011
   59   2HE   LYS   8          1HE       LYS   8  -2.118   7.242   6.519
   60   1HZ   LYS   8          1HZ       LYS   8  -4.185   7.282   4.439
   61   2HZ   LYS   8          2HZ       LYS   8  -2.673   8.056   4.474
   62   3HZ   LYS   8          3HZ       LYS   8  -3.973   8.681   5.373
   63    H    ARG   9           H        ARG   9  -2.197   1.942   6.966
   64    HA   ARG   9           HA       ARG   9  -2.635  -0.402   5.542
   65   1HB   ARG   9          2HB       ARG   9  -3.867  -0.100   7.514
   66   2HB   ARG   9          1HB       ARG   9  -4.371   1.528   7.063
   67   1HG   ARG   9          2HG       ARG   9  -6.077   0.768   5.680
   68   2HG   ARG   9          1HG       ARG   9  -5.287  -0.782   5.384
   69   1HD   ARG   9          2HD       ARG   9  -5.680  -0.960   8.074
   70   2HD   ARG   9          1HD       ARG   9  -7.086   0.016   7.604
   71    HE   ARG   9           HE       ARG   9  -6.415  -2.516   6.157
   72   1HH1  ARG   9          1HH2      ARG   9  -8.696  -0.113   6.451
   73   2HH1  ARG   9          2HH2      ARG   9 -10.050  -1.164   6.698
   74   1HH2  ARG   9          1HH1      ARG   9  -8.108  -4.013   7.061
   75   2HH2  ARG   9          2HH1      ARG   9  -9.717  -3.373   7.046
   76    H    CYS  10           H        CYS  10  -4.063  -0.956   3.779
   77    HA   CYS  10           HA       CYS  10  -4.747   1.360   1.993
   78   1HB   CYS  10          2HB       CYS  10  -4.352  -1.233   0.676
   79   2HB   CYS  10          1HB       CYS  10  -3.660   0.331   0.281
   80    H    LYS  11           H        LYS  11  -6.900   1.471   1.500
   81    HA   LYS  11           HA       LYS  11  -8.723  -0.649   2.378
   82   1HB   LYS  11          2HB       LYS  11  -8.767   2.140   1.647
   83   2HB   LYS  11          1HB       LYS  11 -10.001   1.280   0.724
   84   1HG   LYS  11          2HG       LYS  11 -11.140   0.583   2.638
   85   2HG   LYS  11          1HG       LYS  11  -9.715   0.740   3.664
   86   1HD   LYS  11          2HD       LYS  11 -10.049   2.968   4.021
   87   2HD   LYS  11          1HD       LYS  11 -10.645   3.244   2.383
   88   1HE   LYS  11          2HE       LYS  11 -12.442   1.540   3.961
   89   2HE   LYS  11          1HE       LYS  11 -12.238   3.166   4.647
   90   1HZ   LYS  11          1HZ       LYS  11 -13.226   2.383   1.994
   91   2HZ   LYS  11          2HZ       LYS  11 -12.399   3.858   2.154
   92   3HZ   LYS  11          3HZ       LYS  11 -13.815   3.572   3.050
   93    H    ALA  12           H        ALA  12  -6.832  -0.051  -0.359
   94    HA   ALA  12           HA       ALA  12  -8.089  -2.242  -1.849
   95   1HB   ALA  12          1HB       ALA  12  -8.616   0.587  -2.368
   96   2HB   ALA  12          2HB       ALA  12  -9.426  -0.834  -3.025
   97   3HB   ALA  12          3HB       ALA  12  -7.953  -0.230  -3.783
   98    H    ASP  13           H        ASP  13  -6.480  -3.286  -2.980
   99    HA   ASP  13           HA       ASP  13  -3.788  -2.960  -2.647
  100   1HB   ASP  13          2HB       ASP  13  -5.214  -3.707  -5.220
  101   2HB   ASP  13          1HB       ASP  13  -3.568  -4.178  -4.782
  102    H    ASN  14           H        ASN  14  -5.765  -1.180  -5.019
  103    HA   ASN  14           HA       ASN  14  -3.386   0.264  -6.022
  104   1HB   ASN  14          2HB       ASN  14  -5.931  -0.537  -6.971
  105   2HB   ASN  14          1HB       ASN  14  -5.919   1.227  -6.992
  106   1HD2  ASN  14          1HD2      ASN  14  -5.872  -0.313  -9.419
  107   2HD2  ASN  14          2HD2      ASN  14  -4.373  -0.068 -10.174
  108    H    ASP  15           H        ASP  15  -5.243   0.670  -3.304
  109    HA   ASP  15           HA       ASP  15  -5.894   3.478  -3.486
  110   1HB   ASP  15          2HB       ASP  15  -6.272   1.315  -1.756
  111   2HB   ASP  15          1HB       ASP  15  -5.516   2.581  -0.798
  112    H    CYS  16           H        CYS  16  -2.967   1.760  -2.763
  113    HA   CYS  16           HA       CYS  16  -1.665   3.888  -1.219
  114   1HB   CYS  16          2HB       CYS  16  -0.627   1.482  -2.761
  115   2HB   CYS  16          1HB       CYS  16   0.288   2.402  -1.562
  116    H    CYS  17           H        CYS  17   0.283   5.022  -2.069
  117    HA   CYS  17           HA       CYS  17  -0.179   6.115  -4.745
  118   1HB   CYS  17          2HB       CYS  17   1.870   6.514  -2.554
  119   2HB   CYS  17          1HB       CYS  17   1.941   7.384  -4.092
  120    H    GLY  18           H        GLY  18   1.393   3.380  -3.512
  121   1HA   GLY  18          2HA       GLY  18   3.386   3.321  -5.723
  122   2HA   GLY  18          1HA       GLY  18   3.350   2.211  -4.346
  123    H    LYS  19           H        LYS  19   0.216   2.483  -5.096
  124    HA   LYS  19           HA       LYS  19  -1.324   1.129  -6.224
  125   1HB   LYS  19          2HB       LYS  19  -0.960   1.239  -8.474
  126   2HB   LYS  19          1HB       LYS  19   0.484   2.140  -8.034
  127   1HG   LYS  19          2HG       LYS  19   1.530   0.553  -9.298
  128   2HG   LYS  19          1HG       LYS  19   1.426  -0.413  -7.831
  129   1HD   LYS  19          2HD       LYS  19   0.263  -1.911  -9.060
  130   2HD   LYS  19          1HD       LYS  19  -1.068  -0.754  -9.017
  131   1HE   LYS  19          2HE       LYS  19  -0.828  -0.276 -11.221
  132   2HE   LYS  19          1HE       LYS  19   0.924  -0.056 -11.046
  133   1HZ   LYS  19          1HZ       LYS  19  -0.593  -2.504 -11.607
  134   2HZ   LYS  19          2HZ       LYS  19   0.829  -2.637 -10.685
  135   3HZ   LYS  19          3HZ       LYS  19   0.886  -1.982 -12.253
  136    H    LYS  20           H        LYS  20   0.980   0.056  -4.436
  137    HA   LYS  20           HA       LYS  20   0.384  -2.816  -4.963
  138   1HB   LYS  20          2HB       LYS  20   2.793  -1.466  -5.587
  139   2HB   LYS  20          1HB       LYS  20   3.129  -2.423  -4.144
  140   1HG   LYS  20          2HG       LYS  20   2.847  -4.413  -5.230
  141   2HG   LYS  20          1HG       LYS  20   1.558  -3.786  -6.257
  142   1HD   LYS  20          2HD       LYS  20   3.086  -3.708  -7.918
  143   2HD   LYS  20          1HD       LYS  20   3.807  -2.347  -7.057
  144   1HE   LYS  20          2HE       LYS  20   4.831  -4.504  -5.669
  145   2HE   LYS  20          1HE       LYS  20   4.799  -5.104  -7.339
  146   1HZ   LYS  20          1HZ       LYS  20   6.664  -3.891  -7.555
  147   2HZ   LYS  20          2HZ       LYS  20   6.336  -2.933  -6.191
  148   3HZ   LYS  20          3HZ       LYS  20   5.606  -2.572  -7.683
  149    H    CYS  21           H        CYS  21  -0.923  -2.777  -3.020
  150    HA   CYS  21           HA       CYS  21   0.210  -1.819  -0.495
  151   1HB   CYS  21          2HB       CYS  21  -2.209  -1.756  -1.031
  152   2HB   CYS  21          1HB       CYS  21  -2.231  -3.515  -1.181
  153    H    LYS  22           H        LYS  22   0.294  -3.554   1.402
  154    HA   LYS  22           HA       LYS  22   1.527  -6.055   0.298
  155   1HB   LYS  22          2HB       LYS  22   2.640  -3.976   1.789
  156   2HB   LYS  22          1HB       LYS  22   2.384  -5.264   2.966
  157   1HG   LYS  22          2HG       LYS  22   3.450  -6.239   0.412
  158   2HG   LYS  22          1HG       LYS  22   4.530  -5.106   1.226
  159   1HD   LYS  22          2HD       LYS  22   5.122  -6.695   2.703
  160   2HD   LYS  22          1HD       LYS  22   3.437  -6.907   3.179
  161   1HE   LYS  22          2HE       LYS  22   4.632  -8.198   0.702
  162   2HE   LYS  22          1HE       LYS  22   4.508  -9.014   2.273
  163   1HZ   LYS  22          1HZ       LYS  22   2.209  -8.885   2.259
  164   2HZ   LYS  22          2HZ       LYS  22   2.555  -9.231   0.633
  165   3HZ   LYS  22          3HZ       LYS  22   2.171  -7.644   1.104
  166    H    ARG  23           H        ARG  23  -0.435  -7.264   0.523
  167    HA   ARG  23           HA       ARG  23  -1.833  -7.570   3.089
  168   1HB   ARG  23          2HB       ARG  23  -2.806  -7.753   0.764
  169   2HB   ARG  23          1HB       ARG  23  -1.889  -9.250   0.576
  170   1HG   ARG  23          2HG       ARG  23  -3.190  -9.489   3.056
  171   2HG   ARG  23          1HG       ARG  23  -4.395  -8.817   1.958
  172   1HD   ARG  23          2HD       ARG  23  -3.728 -10.640   0.296
  173   2HD   ARG  23          1HD       ARG  23  -2.825 -11.387   1.630
  174    HE   ARG  23           HE       ARG  23  -5.753 -10.778   1.812
  175   1HH1  ARG  23          1HH1      ARG  23  -3.331 -11.872   3.743
  176   2HH1  ARG  23          2HH1      ARG  23  -4.013 -13.430   4.071
  177   1HH2  ARG  23          1HH2      ARG  23  -6.492 -13.145   1.664
  178   2HH2  ARG  23          2HH2      ARG  23  -5.803 -14.149   2.896
  179    H    ARG  24           H        ARG  24  -1.693  -9.492   4.415
  180    HA   ARG  24           HA       ARG  24   0.924 -10.823   4.321
  181   1HB   ARG  24          2HB       ARG  24  -0.009 -11.931   6.394
  182   2HB   ARG  24          1HB       ARG  24  -0.010 -10.170   6.458
  183   1HG   ARG  24          2HG       ARG  24  -2.345 -10.050   6.034
  184   2HG   ARG  24          1HG       ARG  24  -2.418 -11.736   5.520
  185   1HD   ARG  24          2HD       ARG  24  -1.438 -12.078   8.026
  186   2HD   ARG  24          1HD       ARG  24  -2.389 -10.600   8.268
  187    HE   ARG  24           HE       ARG  24  -3.646 -12.890   6.835
  188   1HH1  ARG  24          1HH2      ARG  24  -5.359 -10.617   7.521
  189   2HH1  ARG  24          2HH2      ARG  24  -6.052 -11.077   9.039
  190   1HH2  ARG  24          1HH1      ARG  24  -3.705 -13.550   9.668
  191   2HH2  ARG  24          2HH1      ARG  24  -5.116 -12.734  10.254
  192    H    GLY  25           H        GLY  25  -0.363 -11.426   1.989
  193   1HA   GLY  25          2HA       GLY  25  -0.380 -14.276   1.936
  194   2HA   GLY  25          1HA       GLY  25  -2.050 -13.701   1.942
  195    H    THR  26           H        THR  26  -2.887 -13.396  -0.065
  196    HA   THR  26           HA       THR  26  -1.017 -12.996  -2.350
  197    HB   THR  26           HB       THR  26  -2.877 -13.851  -3.645
  198    HG1  THR  26           1HG      THR  26  -4.874 -13.831  -2.916
  199   1HG2  THR  26          1HG2      THR  26  -2.581 -15.971  -2.932
  200   2HG2  THR  26          2HG2      THR  26  -3.327 -15.626  -1.372
  201   3HG2  THR  26          3HG2      THR  26  -1.619 -15.271  -1.630
  202    H    ASN  27           H        ASN  27  -1.226 -10.697  -0.894
  203    HA   ASN  27           HA       ASN  27  -1.831  -8.425  -1.052
  204   1HB   ASN  27          2HB       ASN  27  -1.383  -7.900  -3.190
  205   2HB   ASN  27          1HB       ASN  27  -1.595  -9.588  -3.633
  206   1HD2  ASN  27          1HD2      ASN  27  -4.222 -10.109  -3.633
  207   2HD2  ASN  27          2HD2      ASN  27  -5.114  -9.000  -4.559
  208    H    ALA  28           H        ALA  28  -3.696  -7.041  -0.936
  209    HA   ALA  28           HA       ALA  28  -6.358  -7.723  -1.596
  210   1HB   ALA  28          1HB       ALA  28  -6.281  -8.202   1.280
  211   2HB   ALA  28          2HB       ALA  28  -5.302  -9.374   0.398
  212   3HB   ALA  28          3HB       ALA  28  -7.012  -9.181   0.009
  213    H    GLU  29           H        GLU  29  -4.694  -6.558   1.338
  214    HA   GLU  29           HA       GLU  29  -5.037  -3.794   0.937
  215   1HB   GLU  29          2HB       GLU  29  -7.134  -3.510   2.402
  216   2HB   GLU  29          1HB       GLU  29  -7.389  -4.098   0.763
  217   1HG   GLU  29          2HG       GLU  29  -7.605  -6.372   1.534
  218   2HG   GLU  29          1HG       GLU  29  -7.079  -5.927   3.158
  219    H    LYS  30           H        LYS  30  -2.999  -4.999   2.256
  220    HA   LYS  30           HA       LYS  30  -3.556  -4.891   5.164
  221   1HB   LYS  30          2HB       LYS  30  -1.590  -6.058   3.404
  222   2HB   LYS  30          1HB       LYS  30  -0.916  -5.362   4.874
  223   1HG   LYS  30          2HG       LYS  30  -1.606  -7.774   5.138
  224   2HG   LYS  30          1HG       LYS  30  -2.376  -6.667   6.274
  225   1HD   LYS  30          2HD       LYS  30  -4.347  -6.537   4.739
  226   2HD   LYS  30          1HD       LYS  30  -3.590  -7.763   3.723
  227   1HE   LYS  30          2HE       LYS  30  -4.280  -9.426   5.104
  228   2HE   LYS  30          1HE       LYS  30  -3.631  -8.583   6.527
  229   1HZ   LYS  30          1HZ       LYS  30  -5.571  -7.026   6.283
  230   2HZ   LYS  30          2HZ       LYS  30  -5.965  -8.599   6.791
  231   3HZ   LYS  30          3HZ       LYS  30  -6.234  -8.131   5.179
  232    H    ARG  31           H        ARG  31  -0.494  -3.959   3.746
  233    HA   ARG  31           HA       ARG  31  -0.994  -1.117   4.578
  234   1HB   ARG  31          2HB       ARG  31   0.806  -3.142   5.672
  235   2HB   ARG  31          1HB       ARG  31   1.670  -1.682   5.188
  236   1HG   ARG  31          2HG       ARG  31  -0.248  -0.422   6.425
  237   2HG   ARG  31          1HG       ARG  31  -0.548  -1.977   7.201
  238   1HD   ARG  31          2HD       ARG  31   2.268  -1.550   7.282
  239   2HD   ARG  31          1HD       ARG  31   1.488  -0.056   7.839
  240    HE   ARG  31           HE       ARG  31   0.543  -2.671   8.917
  241   1HH1  ARG  31          1HH2      ARG  31   2.607   0.006   9.379
  242   2HH1  ARG  31          2HH2      ARG  31   2.231   0.198  11.059
  243   1HH2  ARG  31          1HH1      ARG  31  -0.222  -2.252  11.062
  244   2HH2  ARG  31          2HH1      ARG  31   0.629  -1.080  12.011
  245    H    CYS  32           H        CYS  32  -0.078   0.399   3.196
  246    HA   CYS  32           HA       CYS  32   0.686  -0.319   0.547
  247   1HB   CYS  32          2HB       CYS  32   1.262   2.155   2.213
  248   2HB   CYS  32          1HB       CYS  32   1.399   2.073   0.453
  249    H    ARG  33           H        ARG  33   2.586  -1.230  -0.153
  250    HA   ARG  33           HA       ARG  33   5.150  -0.408   1.087
  251   1HB   ARG  33          2HB       ARG  33   4.164  -3.275   1.012
  252   2HB   ARG  33          1HB       ARG  33   5.740  -2.744   1.598
  253   1HG   ARG  33          2HG       ARG  33   4.582  -1.329   3.303
  254   2HG   ARG  33          1HG       ARG  33   3.048  -2.007   2.771
  255   1HD   ARG  33          2HD       ARG  33   4.454  -4.299   3.177
  256   2HD   ARG  33          1HD       ARG  33   5.168  -3.251   4.417
  257    HE   ARG  33           HE       ARG  33   2.203  -3.311   4.178
  258   1HH1  ARG  33          1HH2      ARG  33   4.376  -2.371   6.354
  259   2HH1  ARG  33          2HH2      ARG  33   3.923  -3.443   7.635
  260   1HH2  ARG  33          1HH1      ARG  33   1.918  -5.431   5.625
  261   2HH2  ARG  33          2HH1      ARG  33   2.533  -5.175   7.224
  Start of MODEL   11
    1   1H    GLY   1          1HT       GLY   1  -2.719  14.699  -8.445
    2   2H    GLY   1          2HT       GLY   1  -3.519  13.218  -8.677
    3   3H    GLY   1          3HT       GLY   1  -2.027  13.508  -9.436
    4   1HA   GLY   1          2HA       GLY   1  -1.339  12.219  -7.698
    5   2HA   GLY   1          1HA       GLY   1  -1.187  13.836  -7.007
    6    H    ASP   2           H        ASP   2  -3.201  10.945  -7.101
    7    HA   ASP   2           HA       ASP   2  -4.397  11.791  -4.492
    8   1HB   ASP   2          2HB       ASP   2  -5.915  12.300  -6.404
    9   2HB   ASP   2          1HB       ASP   2  -5.860  10.601  -6.871
   10    H    CYS   3           H        CYS   3  -3.252  10.224  -3.287
   11    HA   CYS   3           HA       CYS   3  -4.185   7.461  -3.512
   12   1HB   CYS   3          2HB       CYS   3  -1.825   6.620  -3.911
   13   2HB   CYS   3          1HB       CYS   3  -2.557   7.447  -5.289
   14    H    LEU   4           H        LEU   4  -3.026   6.080  -1.795
   15    HA   LEU   4           HA       LEU   4  -2.655   7.724   0.639
   16   1HB   LEU   4          2HB       LEU   4  -2.658   4.708   0.274
   17   2HB   LEU   4          1HB       LEU   4  -2.924   5.589   1.772
   18    HG   LEU   4           HG       LEU   4  -4.734   6.368  -0.419
   19   1HD1  LEU   4          1HD1      LEU   4  -5.612   4.352  -0.922
   20   2HD1  LEU   4          2HD1      LEU   4  -5.745   3.932   0.786
   21   3HD1  LEU   4          3HD1      LEU   4  -4.245   3.616  -0.085
   22   1HD2  LEU   4          1HD2      LEU   4  -5.028   5.559   2.487
   23   2HD2  LEU   4          2HD2      LEU   4  -6.377   6.073   1.475
   24   3HD2  LEU   4          3HD2      LEU   4  -5.065   7.196   1.832
   25    HA   PRO   5           HA       PRO   5   1.714   7.488   0.837
   26   1HB   PRO   5          2HB       PRO   5   2.169   6.696   3.426
   27   2HB   PRO   5          1HB       PRO   5   1.608   8.328   2.994
   28   1HG   PRO   5          2HG       PRO   5  -0.001   5.955   3.863
   29   2HG   PRO   5          1HG       PRO   5  -0.076   7.626   4.451
   30   1HD   PRO   5          2HD       PRO   5  -1.859   6.748   2.705
   31   2HD   PRO   5          1HD       PRO   5  -1.171   8.381   2.532
   32    H    HIS   6           H        HIS   6   3.542   5.950   1.056
   33    HA   HIS   6           HA       HIS   6   2.758   3.249   0.413
   34   1HB   HIS   6          2HB       HIS   6   4.412   4.289  -0.969
   35   2HB   HIS   6          1HB       HIS   6   5.336   4.810   0.440
   36    HD1  HIS   6           1HD      HIS   6   7.483   3.524  -0.066
   37    HD2  HIS   6           2HD      HIS   6   4.112   1.073  -0.005
   38    HE1  HIS   6           1HE      HIS   6   8.331   1.140  -0.109
   39    H    LEU   7           H        LEU   7   2.314   4.065   3.144
   40    HA   LEU   7           HA       LEU   7   3.657   1.909   4.483
   41   1HB   LEU   7          2HB       LEU   7   4.539   4.695   4.643
   42   2HB   LEU   7          1HB       LEU   7   4.294   3.947   6.222
   43    HG   LEU   7           HG       LEU   7   6.064   2.939   3.981
   44   1HD1  LEU   7          1HD1      LEU   7   6.441   4.401   6.517
   45   2HD1  LEU   7          2HD1      LEU   7   7.470   4.343   5.086
   46   3HD1  LEU   7          3HD1      LEU   7   7.540   3.043   6.276
   47   1HD2  LEU   7          1HD2      LEU   7   6.474   1.389   6.273
   48   2HD2  LEU   7          2HD2      LEU   7   5.647   0.872   4.804
   49   3HD2  LEU   7          3HD2      LEU   7   4.719   1.528   6.152
   50    H    LYS   8           H        LYS   8   0.873   3.317   3.990
   51    HA   LYS   8           HA       LYS   8  -0.011   3.115   6.853
   52   1HB   LYS   8          2HB       LYS   8  -0.124   5.396   5.832
   53   2HB   LYS   8          1HB       LYS   8  -1.189   4.749   4.582
   54   1HG   LYS   8          2HG       LYS   8  -2.956   4.420   6.052
   55   2HG   LYS   8          1HG       LYS   8  -1.896   4.282   7.455
   56   1HD   LYS   8          2HD       LYS   8  -1.547   6.625   7.562
   57   2HD   LYS   8          1HD       LYS   8  -2.180   6.874   5.934
   58   1HE   LYS   8          2HE       LYS   8  -4.427   6.065   6.754
   59   2HE   LYS   8          1HE       LYS   8  -3.759   6.067   8.399
   60   1HZ   LYS   8          1HZ       LYS   8  -4.091   8.349   6.548
   61   2HZ   LYS   8          2HZ       LYS   8  -2.981   8.411   7.832
   62   3HZ   LYS   8          3HZ       LYS   8  -4.636   8.200   8.147
   63    H    ARG   9           H        ARG   9  -1.825   1.804   7.235
   64    HA   ARG   9           HA       ARG   9  -2.423  -0.400   5.681
   65   1HB   ARG   9          2HB       ARG   9  -3.495   1.001   7.921
   66   2HB   ARG   9          1HB       ARG   9  -4.850   0.591   6.869
   67   1HG   ARG   9          2HG       ARG   9  -2.848  -1.558   7.272
   68   2HG   ARG   9          1HG       ARG   9  -3.806  -1.131   8.690
   69   1HD   ARG   9          2HD       ARG   9  -5.869  -1.601   7.555
   70   2HD   ARG   9          1HD       ARG   9  -5.051  -1.709   5.983
   71    HE   ARG   9           HE       ARG   9  -3.918  -3.753   6.801
   72   1HH1  ARG   9          1HH2      ARG   9  -4.429  -3.119   9.754
   73   2HH1  ARG   9          2HH2      ARG   9  -5.633  -4.303  10.139
   74   1HH2  ARG   9          1HH1      ARG   9  -6.377  -5.010   6.828
   75   2HH2  ARG   9          2HH1      ARG   9  -6.736  -5.373   8.483
   76    H    CYS  10           H        CYS  10  -3.455  -0.717   3.734
   77    HA   CYS  10           HA       CYS  10  -4.743   1.667   2.466
   78   1HB   CYS  10          2HB       CYS  10  -4.187   0.553   0.393
   79   2HB   CYS  10          1HB       CYS  10  -2.776   0.452   1.445
   80    H    LYS  11           H        LYS  11  -6.627   1.087   0.976
   81    HA   LYS  11           HA       LYS  11  -8.474  -0.766   2.417
   82   1HB   LYS  11          2HB       LYS  11  -9.152   1.207   0.226
   83   2HB   LYS  11          1HB       LYS  11 -10.200   0.593   1.505
   84   1HG   LYS  11          2HG       LYS  11  -8.984   1.838   3.186
   85   2HG   LYS  11          1HG       LYS  11  -7.765   2.324   2.008
   86   1HD   LYS  11          2HD       LYS  11  -9.007   4.130   1.505
   87   2HD   LYS  11          1HD       LYS  11 -10.287   3.061   0.931
   88   1HE   LYS  11          2HE       LYS  11 -10.252   3.153   3.838
   89   2HE   LYS  11          1HE       LYS  11 -10.447   4.774   3.142
   90   1HZ   LYS  11          1HZ       LYS  11 -12.354   4.201   2.079
   91   2HZ   LYS  11          2HZ       LYS  11 -12.479   3.120   3.383
   92   3HZ   LYS  11          3HZ       LYS  11 -11.902   2.579   1.880
   93    H    ALA  12           H        ALA  12  -6.746  -0.302  -0.555
   94    HA   ALA  12           HA       ALA  12  -7.610  -2.947  -1.528
   95   1HB   ALA  12          1HB       ALA  12  -8.003  -0.508  -3.272
   96   2HB   ALA  12          2HB       ALA  12  -9.285  -1.100  -2.215
   97   3HB   ALA  12          3HB       ALA  12  -8.659  -2.129  -3.503
   98    H    ASP  13           H        ASP  13  -6.273  -3.584  -3.443
   99    HA   ASP  13           HA       ASP  13  -3.542  -3.130  -3.176
  100   1HB   ASP  13          2HB       ASP  13  -5.073  -3.672  -5.740
  101   2HB   ASP  13          1HB       ASP  13  -3.401  -4.134  -5.397
  102    H    ASN  14           H        ASN  14  -5.748  -1.483  -5.479
  103    HA   ASN  14           HA       ASN  14  -3.615   0.427  -6.215
  104   1HB   ASN  14          2HB       ASN  14  -6.389  -0.281  -7.128
  105   2HB   ASN  14          1HB       ASN  14  -5.653   1.230  -7.666
  106   1HD2  ASN  14          1HD2      ASN  14  -3.499  -1.449  -7.006
  107   2HD2  ASN  14          2HD2      ASN  14  -3.165  -1.834  -8.626
  108    H    ASP  15           H        ASP  15  -4.114   0.865  -3.559
  109    HA   ASP  15           HA       ASP  15  -5.856   3.300  -3.528
  110   1HB   ASP  15          2HB       ASP  15  -5.868   0.957  -2.002
  111   2HB   ASP  15          1HB       ASP  15  -5.313   2.224  -0.925
  112    H    CYS  16           H        CYS  16  -2.785   1.870  -2.703
  113    HA   CYS  16           HA       CYS  16  -1.739   4.125  -1.154
  114   1HB   CYS  16          2HB       CYS  16  -0.431   1.782  -2.580
  115   2HB   CYS  16          1HB       CYS  16   0.309   2.764  -1.312
  116    H    CYS  17           H        CYS  17   0.373   5.162  -1.994
  117    HA   CYS  17           HA       CYS  17  -0.123   6.342  -4.625
  118   1HB   CYS  17          2HB       CYS  17   1.993   6.587  -2.478
  119   2HB   CYS  17          1HB       CYS  17   2.110   7.457  -4.011
  120    H    GLY  18           H        GLY  18   1.392   3.519  -3.467
  121   1HA   GLY  18          2HA       GLY  18   3.261   3.406  -5.786
  122   2HA   GLY  18          1HA       GLY  18   3.271   2.302  -4.405
  123    H    LYS  19           H        LYS  19   0.119   2.583  -4.878
  124    HA   LYS  19           HA       LYS  19  -1.513   1.223  -5.895
  125   1HB   LYS  19          2HB       LYS  19   0.606   1.745  -7.928
  126   2HB   LYS  19          1HB       LYS  19  -0.544   0.462  -8.303
  127   1HG   LYS  19          2HG       LYS  19  -2.077   2.598  -7.264
  128   2HG   LYS  19          1HG       LYS  19  -0.936   3.323  -8.396
  129   1HD   LYS  19          2HD       LYS  19  -2.450   0.836  -9.161
  130   2HD   LYS  19          1HD       LYS  19  -3.205   2.424  -9.320
  131   1HE   LYS  19          2HE       LYS  19  -1.750   3.098 -11.002
  132   2HE   LYS  19          1HE       LYS  19  -0.440   2.050 -10.425
  133   1HZ   LYS  19          1HZ       LYS  19  -1.891   0.128 -11.015
  134   2HZ   LYS  19          2HZ       LYS  19  -1.355   1.028 -12.353
  135   3HZ   LYS  19          3HZ       LYS  19  -2.944   1.213 -11.781
  136    H    LYS  20           H        LYS  20   1.009   0.157  -4.413
  137    HA   LYS  20           HA       LYS  20   0.506  -2.712  -5.072
  138   1HB   LYS  20          2HB       LYS  20   2.940  -1.107  -5.339
  139   2HB   LYS  20          1HB       LYS  20   3.187  -2.538  -4.336
  140   1HG   LYS  20          2HG       LYS  20   1.947  -3.826  -6.202
  141   2HG   LYS  20          1HG       LYS  20   2.235  -2.398  -7.197
  142   1HD   LYS  20          2HD       LYS  20   4.057  -3.945  -7.575
  143   2HD   LYS  20          1HD       LYS  20   4.684  -2.592  -6.632
  144   1HE   LYS  20          2HE       LYS  20   4.752  -3.861  -4.634
  145   2HE   LYS  20          1HE       LYS  20   3.651  -5.095  -5.279
  146   1HZ   LYS  20          1HZ       LYS  20   6.495  -4.787  -5.680
  147   2HZ   LYS  20          2HZ       LYS  20   5.628  -5.043  -7.119
  148   3HZ   LYS  20          3HZ       LYS  20   5.524  -6.167  -5.847
  149    H    CYS  21           H        CYS  21  -0.866  -2.533  -3.104
  150    HA   CYS  21           HA       CYS  21   0.391  -1.857  -0.558
  151   1HB   CYS  21          2HB       CYS  21  -2.060  -1.639  -1.298
  152   2HB   CYS  21          1HB       CYS  21  -2.184  -3.384  -1.060
  153    H    LYS  22           H        LYS  22  -0.013  -3.840   1.228
  154    HA   LYS  22           HA       LYS  22   0.796  -6.418  -0.042
  155   1HB   LYS  22          2HB       LYS  22   2.633  -4.626   0.859
  156   2HB   LYS  22          1HB       LYS  22   2.375  -5.589   2.314
  157   1HG   LYS  22          2HG       LYS  22   4.185  -6.550   0.941
  158   2HG   LYS  22          1HG       LYS  22   2.809  -7.651   1.028
  159   1HD   LYS  22          2HD       LYS  22   2.234  -7.335  -1.180
  160   2HD   LYS  22          1HD       LYS  22   2.842  -5.680  -1.210
  161   1HE   LYS  22          2HE       LYS  22   4.279  -7.195  -2.565
  162   2HE   LYS  22          1HE       LYS  22   5.174  -6.545  -1.177
  163   1HZ   LYS  22          1HZ       LYS  22   3.616  -9.023  -0.873
  164   2HZ   LYS  22          2HZ       LYS  22   4.986  -8.502  -0.013
  165   3HZ   LYS  22          3HZ       LYS  22   5.150  -9.096  -1.596
  166    H    ARG  23           H        ARG  23  -0.720  -7.796   0.754
  167    HA   ARG  23           HA       ARG  23  -1.557  -7.659   3.613
  168   1HB   ARG  23          2HB       ARG  23  -3.479  -7.609   2.330
  169   2HB   ARG  23          1HB       ARG  23  -2.756  -8.542   1.026
  170   1HG   ARG  23          2HG       ARG  23  -3.457 -10.515   1.906
  171   2HG   ARG  23          1HG       ARG  23  -2.981 -10.055   3.537
  172   1HD   ARG  23          2HD       ARG  23  -5.083  -9.378   4.081
  173   2HD   ARG  23          1HD       ARG  23  -5.321  -8.576   2.519
  174    HE   ARG  23           HE       ARG  23  -5.318 -11.209   1.794
  175   1HH1  ARG  23          1HH2      ARG  23  -6.133 -11.914   4.583
  176   2HH1  ARG  23          2HH2      ARG  23  -7.862 -11.856   4.487
  177   1HH2  ARG  23          1HH1      ARG  23  -7.898 -10.056   1.521
  178   2HH2  ARG  23          2HH1      ARG  23  -8.862 -10.803   2.752
  179    H    ARG  24           H        ARG  24  -1.456  -9.524   4.901
  180    HA   ARG  24           HA       ARG  24   0.686 -11.406   4.205
  181   1HB   ARG  24          2HB       ARG  24  -0.470 -10.346   6.507
  182   2HB   ARG  24          1HB       ARG  24  -1.005 -12.027   6.517
  183   1HG   ARG  24          2HG       ARG  24   1.025 -12.476   7.423
  184   2HG   ARG  24          1HG       ARG  24   1.639 -12.265   5.782
  185   1HD   ARG  24          2HD       ARG  24   1.644  -9.691   6.478
  186   2HD   ARG  24          1HD       ARG  24   1.782 -10.382   8.107
  187    HE   ARG  24           HE       ARG  24   3.696 -10.907   5.874
  188   1HH1  ARG  24          1HH2      ARG  24   3.617  -9.675   8.910
  189   2HH1  ARG  24          2HH2      ARG  24   4.786 -10.746   9.605
  190   1HH2  ARG  24          1HH1      ARG  24   4.847 -12.885   6.879
  191   2HH2  ARG  24          2HH1      ARG  24   5.482 -12.561   8.459
  192    H    GLY  25           H        GLY  25  -1.161 -11.729   2.245
  193   1HA   GLY  25          2HA       GLY  25  -1.816 -14.471   2.263
  194   2HA   GLY  25          1HA       GLY  25  -3.267 -13.602   2.768
  195    H    THR  26           H        THR  26  -1.164 -14.319   0.102
  196    HA   THR  26           HA       THR  26  -1.227 -13.635  -2.169
  197    HB   THR  26           HB       THR  26  -3.017 -15.357  -1.782
  198    HG1  THR  26           1HG      THR  26  -3.624 -15.121  -3.795
  199   1HG2  THR  26          1HG2      THR  26  -4.694 -12.860  -1.456
  200   2HG2  THR  26          2HG2      THR  26  -4.511 -14.193  -0.315
  201   3HG2  THR  26          3HG2      THR  26  -5.388 -14.440  -1.824
  202    H    ASN  27           H        ASN  27  -1.241 -11.402  -0.390
  203    HA   ASN  27           HA       ASN  27  -1.676  -9.076  -0.402
  204   1HB   ASN  27          2HB       ASN  27  -1.896 -10.045  -3.238
  205   2HB   ASN  27          1HB       ASN  27  -2.221  -8.348  -2.874
  206   1HD2  ASN  27          1HD2      ASN  27   0.138 -10.311  -1.068
  207   2HD2  ASN  27          2HD2      ASN  27   1.505  -9.461  -1.601
  208    H    ALA  28           H        ALA  28  -3.454  -7.448  -0.686
  209    HA   ALA  28           HA       ALA  28  -6.056  -7.947  -1.624
  210   1HB   ALA  28          1HB       ALA  28  -6.589  -8.433   1.136
  211   2HB   ALA  28          2HB       ALA  28  -5.320  -9.551   0.638
  212   3HB   ALA  28          3HB       ALA  28  -6.858  -9.524  -0.222
  213    H    GLU  29           H        GLU  29  -5.051  -7.014   1.666
  214    HA   GLU  29           HA       GLU  29  -5.240  -4.165   1.161
  215   1HB   GLU  29          2HB       GLU  29  -7.604  -4.956   0.967
  216   2HB   GLU  29          1HB       GLU  29  -7.508  -5.554   2.623
  217   1HG   GLU  29          2HG       GLU  29  -6.691  -2.734   2.208
  218   2HG   GLU  29          1HG       GLU  29  -8.406  -3.080   2.002
  219    H    LYS  30           H        LYS  30  -3.145  -4.650   2.394
  220    HA   LYS  30           HA       LYS  30  -3.631  -4.885   5.329
  221   1HB   LYS  30          2HB       LYS  30  -1.827  -6.105   3.535
  222   2HB   LYS  30          1HB       LYS  30  -0.972  -5.259   4.821
  223   1HG   LYS  30          2HG       LYS  30  -1.503  -7.566   5.527
  224   2HG   LYS  30          1HG       LYS  30  -2.341  -6.375   6.522
  225   1HD   LYS  30          2HD       LYS  30  -4.308  -6.645   4.884
  226   2HD   LYS  30          1HD       LYS  30  -3.476  -8.091   4.315
  227   1HE   LYS  30          2HE       LYS  30  -4.572  -9.157   6.010
  228   2HE   LYS  30          1HE       LYS  30  -3.386  -8.376   7.075
  229   1HZ   LYS  30          1HZ       LYS  30  -6.135  -7.568   6.451
  230   2HZ   LYS  30          2HZ       LYS  30  -4.989  -6.350   6.752
  231   3HZ   LYS  30          3HZ       LYS  30  -5.314  -7.527   7.934
  232    H    ARG  31           H        ARG  31  -0.700  -3.872   3.722
  233    HA   ARG  31           HA       ARG  31  -1.152  -1.035   4.515
  234   1HB   ARG  31          2HB       ARG  31   0.560  -3.017   5.791
  235   2HB   ARG  31          1HB       ARG  31   1.498  -1.637   5.217
  236   1HG   ARG  31          2HG       ARG  31   0.266  -0.102   6.517
  237   2HG   ARG  31          1HG       ARG  31  -1.066  -1.234   6.751
  238   1HD   ARG  31          2HD       ARG  31   1.340  -2.439   7.767
  239   2HD   ARG  31          1HD       ARG  31   1.156  -0.822   8.475
  240    HE   ARG  31           HE       ARG  31  -1.364  -1.693   8.734
  241   1HH1  ARG  31          1HH2      ARG  31  -0.628  -4.522   8.255
  242   2HH1  ARG  31          2HH2      ARG  31  -0.270  -5.099   9.849
  243   1HH2  ARG  31          1HH1      ARG  31   0.067  -1.927  11.208
  244   2HH2  ARG  31          2HH1      ARG  31   0.123  -3.630  11.520
  245    H    CYS  32           H        CYS  32   0.047   0.421   3.219
  246    HA   CYS  32           HA       CYS  32   0.715  -0.429   0.571
  247   1HB   CYS  32          2HB       CYS  32   1.576   2.039   2.117
  248   2HB   CYS  32          1HB       CYS  32   1.509   1.883   0.358
  249    H    ARG  33           H        ARG  33   2.544  -1.516  -0.101
  250    HA   ARG  33           HA       ARG  33   5.131  -0.904   1.263
  251   1HB   ARG  33          2HB       ARG  33   4.245  -3.729   0.634
  252   2HB   ARG  33          1HB       ARG  33   5.571  -3.213   1.675
  253   1HG   ARG  33          2HG       ARG  33   3.528  -1.977   2.931
  254   2HG   ARG  33          1HG       ARG  33   2.657  -3.349   2.248
  255   1HD   ARG  33          2HD       ARG  33   4.278  -4.903   3.289
  256   2HD   ARG  33          1HD       ARG  33   5.139  -3.518   3.994
  257    HE   ARG  33           HE       ARG  33   2.249  -3.583   4.551
  258   1HH1  ARG  33          1HH1      ARG  33   3.465  -6.039   5.790
  259   2HH1  ARG  33          2HH1      ARG  33   3.936  -5.457   7.352
  260   1HH2  ARG  33          1HH2      ARG  33   3.717  -2.112   6.464
  261   2HH2  ARG  33          2HH2      ARG  33   4.079  -3.235   7.733
  Start of MODEL   12
    1   1H    GLY   1          1HT       GLY   1 -10.731   9.713  -2.443
    2   2H    GLY   1          2HT       GLY   1  -9.326   9.581  -1.499
    3   3H    GLY   1          3HT       GLY   1  -9.411   8.815  -3.013
    4   1HA   GLY   1          2HA       GLY   1  -9.538  10.960  -4.121
    5   2HA   GLY   1          1HA       GLY   1  -9.427  11.748  -2.546
    6    H    ASP   2           H        ASP   2  -7.413  12.013  -1.627
    7    HA   ASP   2           HA       ASP   2  -5.064  11.818  -3.221
    8   1HB   ASP   2          2HB       ASP   2  -5.771  13.062  -0.953
    9   2HB   ASP   2          1HB       ASP   2  -4.916  11.696  -0.238
   10    H    CYS   3           H        CYS   3  -3.842  10.044  -3.718
   11    HA   CYS   3           HA       CYS   3  -4.409   7.381  -3.049
   12   1HB   CYS   3          2HB       CYS   3  -2.212   6.937  -3.952
   13   2HB   CYS   3          1HB       CYS   3  -2.849   8.345  -4.809
   14    H    LEU   4           H        LEU   4  -3.179   5.889  -1.602
   15    HA   LEU   4           HA       LEU   4  -2.597   7.174   1.006
   16   1HB   LEU   4          2HB       LEU   4  -2.517   4.228   0.280
   17   2HB   LEU   4          1HB       LEU   4  -2.767   4.939   1.870
   18    HG   LEU   4           HG       LEU   4  -4.677   4.976  -0.476
   19   1HD1  LEU   4          1HD1      LEU   4  -4.380   3.064   1.382
   20   2HD1  LEU   4          2HD1      LEU   4  -5.961   3.512   0.742
   21   3HD1  LEU   4          3HD1      LEU   4  -5.420   4.163   2.290
   22   1HD2  LEU   4          1HD2      LEU   4  -6.078   6.156   1.487
   23   2HD2  LEU   4          2HD2      LEU   4  -5.122   7.085   0.333
   24   3HD2  LEU   4          3HD2      LEU   4  -4.468   6.723   1.930
   25    HA   PRO   5           HA       PRO   5   1.746   7.156   0.404
   26   1HB   PRO   5          2HB       PRO   5   2.611   6.577   2.939
   27   2HB   PRO   5          1HB       PRO   5   1.932   8.155   2.484
   28   1HG   PRO   5          2HG       PRO   5   0.588   5.828   3.784
   29   2HG   PRO   5          1HG       PRO   5   0.506   7.543   4.212
   30   1HD   PRO   5          2HD       PRO   5  -1.458   6.375   2.839
   31   2HD   PRO   5          1HD       PRO   5  -0.949   8.041   2.472
   32    H    HIS   6           H        HIS   6   3.733   5.660   0.936
   33    HA   HIS   6           HA       HIS   6   2.984   2.972   0.203
   34   1HB   HIS   6          2HB       HIS   6   4.741   4.071  -1.019
   35   2HB   HIS   6          1HB       HIS   6   5.585   4.470   0.476
   36    HD1  HIS   6           1HD      HIS   6   7.708   3.118   0.109
   37    HD2  HIS   6           2HD      HIS   6   4.254   0.830  -0.340
   38    HE1  HIS   6           1HE      HIS   6   8.463   0.706  -0.056
   39    H    LEU   7           H        LEU   7   2.370   3.773   2.924
   40    HA   LEU   7           HA       LEU   7   3.589   1.562   4.299
   41   1HB   LEU   7          2HB       LEU   7   4.465   4.353   4.623
   42   2HB   LEU   7          1HB       LEU   7   4.209   3.484   6.135
   43    HG   LEU   7           HG       LEU   7   6.056   2.717   3.860
   44   1HD1  LEU   7          1HD1      LEU   7   6.428   4.256   6.152
   45   2HD1  LEU   7          2HD1      LEU   7   7.698   3.505   5.187
   46   3HD1  LEU   7          3HD1      LEU   7   7.053   2.670   6.598
   47   1HD2  LEU   7          1HD2      LEU   7   4.914   1.109   6.125
   48   2HD2  LEU   7          2HD2      LEU   7   6.570   0.799   5.599
   49   3HD2  LEU   7          3HD2      LEU   7   5.234   0.616   4.461
   50    H    LYS   8           H        LYS   8   0.926   3.574   3.914
   51    HA   LYS   8           HA       LYS   8  -0.059   3.285   6.697
   52   1HB   LYS   8          2HB       LYS   8  -0.778   4.767   4.216
   53   2HB   LYS   8          1HB       LYS   8  -2.108   4.351   5.290
   54   1HG   LYS   8          2HG       LYS   8  -0.149   5.277   7.030
   55   2HG   LYS   8          1HG       LYS   8  -0.016   6.360   5.642
   56   1HD   LYS   8          2HD       LYS   8  -2.570   6.564   5.748
   57   2HD   LYS   8          1HD       LYS   8  -2.459   5.793   7.331
   58   1HE   LYS   8          2HE       LYS   8  -1.097   7.587   8.198
   59   2HE   LYS   8          1HE       LYS   8  -0.921   8.303   6.583
   60   1HZ   LYS   8          1HZ       LYS   8  -3.427   8.359   6.528
   61   2HZ   LYS   8          2HZ       LYS   8  -2.695   9.455   7.602
   62   3HZ   LYS   8          3HZ       LYS   8  -3.398   8.026   8.191
   63    H    ARG   9           H        ARG   9  -2.625   2.671   6.560
   64    HA   ARG   9           HA       ARG   9  -2.671  -0.107   5.639
   65   1HB   ARG   9          2HB       ARG   9  -3.805   0.130   7.645
   66   2HB   ARG   9          1HB       ARG   9  -4.322   1.772   7.270
   67   1HG   ARG   9          2HG       ARG   9  -6.273   0.324   7.275
   68   2HG   ARG   9          1HG       ARG   9  -5.950   0.826   5.616
   69   1HD   ARG   9          2HD       ARG   9  -6.448  -1.652   5.879
   70   2HD   ARG   9          1HD       ARG   9  -4.881  -1.309   5.123
   71    HE   ARG   9           HE       ARG   9  -3.917  -2.366   6.992
   72   1HH1  ARG   9          1HH2      ARG   9  -7.160  -2.112   7.725
   73   2HH1  ARG   9          2HH2      ARG   9  -6.955  -1.976   9.440
   74   1HH2  ARG   9          1HH1      ARG   9  -3.511  -1.623   9.266
   75   2HH2  ARG   9          2HH1      ARG   9  -4.889  -1.700  10.310
   76    H    CYS  10           H        CYS  10  -3.705  -0.848   3.766
   77    HA   CYS  10           HA       CYS  10  -5.025   1.265   2.092
   78   1HB   CYS  10          2HB       CYS  10  -4.300  -1.016   0.531
   79   2HB   CYS  10          1HB       CYS  10  -3.648   0.610   0.441
   80    H    LYS  11           H        LYS  11  -7.057   0.887   1.317
   81    HA   LYS  11           HA       LYS  11  -8.487  -1.522   2.289
   82   1HB   LYS  11          2HB       LYS  11  -9.071   1.245   1.429
   83   2HB   LYS  11          1HB       LYS  11 -10.265   0.061   0.898
   84   1HG   LYS  11          2HG       LYS  11  -9.737  -0.645   3.548
   85   2HG   LYS  11          1HG       LYS  11  -9.787   1.119   3.569
   86   1HD   LYS  11          2HD       LYS  11 -11.904  -0.055   1.920
   87   2HD   LYS  11          1HD       LYS  11 -12.001  -0.548   3.611
   88   1HE   LYS  11          2HE       LYS  11 -11.466   2.129   3.879
   89   2HE   LYS  11          1HE       LYS  11 -12.465   2.110   2.412
   90   1HZ   LYS  11          1HZ       LYS  11 -13.105   0.947   5.063
   91   2HZ   LYS  11          2HZ       LYS  11 -13.951   0.524   3.651
   92   3HZ   LYS  11          3HZ       LYS  11 -13.972   2.129   4.209
   93    H    ALA  12           H        ALA  12  -6.868  -0.388  -0.491
   94    HA   ALA  12           HA       ALA  12  -7.760  -2.712  -2.069
   95   1HB   ALA  12          1HB       ALA  12  -9.446  -0.891  -2.434
   96   2HB   ALA  12          2HB       ALA  12  -8.577  -1.312  -3.911
   97   3HB   ALA  12          3HB       ALA  12  -8.145   0.148  -3.019
   98    H    ASP  13           H        ASP  13  -6.127  -3.324  -3.514
   99    HA   ASP  13           HA       ASP  13  -3.487  -2.574  -3.169
  100   1HB   ASP  13          2HB       ASP  13  -4.922  -3.498  -5.674
  101   2HB   ASP  13          1HB       ASP  13  -3.174  -3.578  -5.434
  102    H    ASN  14           H        ASN  14  -5.880  -0.983  -5.276
  103    HA   ASN  14           HA       ASN  14  -3.813   0.825  -6.377
  104   1HB   ASN  14          2HB       ASN  14  -5.891  -0.282  -7.532
  105   2HB   ASN  14          1HB       ASN  14  -6.775   1.066  -6.817
  106   1HD2  ASN  14          1HD2      ASN  14  -6.761   2.976  -8.015
  107   2HD2  ASN  14          2HD2      ASN  14  -5.653   3.345  -9.246
  108    H    ASP  15           H        ASP  15  -4.753   0.918  -3.417
  109    HA   ASP  15           HA       ASP  15  -5.944   3.628  -3.319
  110   1HB   ASP  15          2HB       ASP  15  -6.000   1.297  -1.773
  111   2HB   ASP  15          1HB       ASP  15  -5.254   2.530  -0.765
  112    H    CYS  16           H        CYS  16  -2.947   1.940  -2.589
  113    HA   CYS  16           HA       CYS  16  -1.610   4.193  -1.275
  114   1HB   CYS  16          2HB       CYS  16  -0.539   1.700  -2.651
  115   2HB   CYS  16          1HB       CYS  16   0.296   2.665  -1.428
  116    H    CYS  17           H        CYS  17   0.240   5.324  -2.266
  117    HA   CYS  17           HA       CYS  17  -0.217   6.027  -5.063
  118   1HB   CYS  17          2HB       CYS  17   1.117   7.061  -2.755
  119   2HB   CYS  17          1HB       CYS  17   2.237   6.995  -4.113
  120    H    GLY  18           H        GLY  18   1.480   3.584  -3.405
  121   1HA   GLY  18          2HA       GLY  18   3.551   3.290  -5.493
  122   2HA   GLY  18          1HA       GLY  18   3.334   2.238  -4.085
  123    H    LYS  19           H        LYS  19   0.305   2.516  -4.987
  124    HA   LYS  19           HA       LYS  19  -1.201   1.135  -6.120
  125   1HB   LYS  19          2HB       LYS  19  -0.870   1.382  -8.366
  126   2HB   LYS  19          1HB       LYS  19   0.571   2.276  -7.902
  127   1HG   LYS  19          2HG       LYS  19   1.553   0.753  -9.318
  128   2HG   LYS  19          1HG       LYS  19   1.602  -0.212  -7.847
  129   1HD   LYS  19          2HD       LYS  19   0.516  -1.760  -9.115
  130   2HD   LYS  19          1HD       LYS  19  -0.908  -0.786  -8.747
  131   1HE   LYS  19          2HE       LYS  19  -1.098  -0.084 -10.901
  132   2HE   LYS  19          1HE       LYS  19   0.640   0.260 -11.019
  133   1HZ   LYS  19          1HZ       LYS  19   0.988  -2.197 -11.063
  134   2HZ   LYS  19          2HZ       LYS  19   0.197  -1.582 -12.435
  135   3HZ   LYS  19          3HZ       LYS  19  -0.689  -2.386 -11.229
  136    H    LYS  20           H        LYS  20   1.159   0.057  -4.414
  137    HA   LYS  20           HA       LYS  20   0.644  -2.802  -5.071
  138   1HB   LYS  20          2HB       LYS  20   3.095  -3.204  -4.706
  139   2HB   LYS  20          1HB       LYS  20   2.767  -2.188  -6.110
  140   1HG   LYS  20          2HG       LYS  20   2.941  -0.355  -4.038
  141   2HG   LYS  20          1HG       LYS  20   4.190  -1.536  -3.637
  142   1HD   LYS  20          2HD       LYS  20   4.120  -0.852  -6.489
  143   2HD   LYS  20          1HD       LYS  20   4.485   0.527  -5.451
  144   1HE   LYS  20          2HE       LYS  20   6.470  -0.402  -4.686
  145   2HE   LYS  20          1HE       LYS  20   5.895  -2.065  -4.910
  146   1HZ   LYS  20          1HZ       LYS  20   6.583  -0.126  -7.055
  147   2HZ   LYS  20          2HZ       LYS  20   5.881  -1.649  -7.325
  148   3HZ   LYS  20          3HZ       LYS  20   7.440  -1.534  -6.660
  149    H    CYS  21           H        CYS  21  -0.809  -2.470  -3.156
  150    HA   CYS  21           HA       CYS  21   0.408  -1.850  -0.571
  151   1HB   CYS  21          2HB       CYS  21  -1.946  -1.337  -1.073
  152   2HB   CYS  21          1HB       CYS  21  -2.262  -3.034  -1.444
  153    H    LYS  22           H        LYS  22   0.524  -3.594   1.187
  154    HA   LYS  22           HA       LYS  22   0.804  -6.341   0.000
  155   1HB   LYS  22          2HB       LYS  22   2.938  -5.008   0.458
  156   2HB   LYS  22          1HB       LYS  22   2.551  -5.170   2.171
  157   1HG   LYS  22          2HG       LYS  22   4.039  -6.981   1.580
  158   2HG   LYS  22          1HG       LYS  22   2.432  -7.665   1.825
  159   1HD   LYS  22          2HD       LYS  22   2.608  -8.562  -0.234
  160   2HD   LYS  22          1HD       LYS  22   2.474  -6.923  -0.872
  161   1HE   LYS  22          2HE       LYS  22   4.851  -6.659  -0.970
  162   2HE   LYS  22          1HE       LYS  22   5.120  -8.117   0.008
  163   1HZ   LYS  22          1HZ       LYS  22   4.366  -7.884  -2.794
  164   2HZ   LYS  22          2HZ       LYS  22   3.579  -9.103  -1.911
  165   3HZ   LYS  22          3HZ       LYS  22   5.275  -9.084  -2.014
  166    H    ARG  23           H        ARG  23  -0.773  -7.581   0.956
  167    HA   ARG  23           HA       ARG  23  -1.908  -6.974   3.535
  168   1HB   ARG  23          2HB       ARG  23  -3.414  -8.680   2.988
  169   2HB   ARG  23          1HB       ARG  23  -2.898  -8.112   1.411
  170   1HG   ARG  23          2HG       ARG  23  -2.351 -10.247   0.946
  171   2HG   ARG  23          1HG       ARG  23  -0.999 -10.042   2.059
  172   1HD   ARG  23          2HD       ARG  23  -2.083 -11.901   2.996
  173   2HD   ARG  23          1HD       ARG  23  -2.855 -10.578   3.892
  174    HE   ARG  23           HE       ARG  23  -4.214 -11.088   1.384
  175   1HH1  ARG  23          1HH1      ARG  23  -5.330 -10.483   4.209
  176   2HH1  ARG  23          2HH1      ARG  23  -6.215 -11.941   4.511
  177   1HH2  ARG  23          1HH2      ARG  23  -4.699 -13.705   1.938
  178   2HH2  ARG  23          2HH2      ARG  23  -5.857 -13.766   3.224
  179    H    ARG  24           H        ARG  24  -2.118  -9.232   4.966
  180    HA   ARG  24           HA       ARG  24   0.612  -9.748   5.919
  181   1HB   ARG  24          2HB       ARG  24  -1.452  -9.413   7.342
  182   2HB   ARG  24          1HB       ARG  24  -2.049 -10.960   6.742
  183   1HG   ARG  24          2HG       ARG  24  -0.958 -11.849   8.523
  184   2HG   ARG  24          1HG       ARG  24   0.498 -11.616   7.554
  185   1HD   ARG  24          2HD       ARG  24   1.225 -10.323   9.290
  186   2HD   ARG  24          1HD       ARG  24   0.084  -9.104   8.686
  187    HE   ARG  24           HE       ARG  24  -1.429 -10.925  10.223
  188   1HH1  ARG  24          1HH2      ARG  24   1.239 -10.724  11.780
  189   2HH1  ARG  24          2HH2      ARG  24   0.838  -9.485  12.922
  190   1HH2  ARG  24          1HH1      ARG  24  -1.989  -8.447  11.207
  191   2HH2  ARG  24          2HH1      ARG  24  -0.987  -8.197  12.597
  192    H    GLY  25           H        GLY  25   0.493 -10.652   3.327
  193   1HA   GLY  25          2HA       GLY  25   1.295 -13.369   3.512
  194   2HA   GLY  25          1HA       GLY  25  -0.378 -13.339   2.953
  195    H    THR  26           H        THR  26  -0.774 -11.787   1.036
  196    HA   THR  26           HA       THR  26   1.602 -11.314  -0.664
  197    HB   THR  26           HB       THR  26   1.182 -13.607  -1.156
  198    HG1  THR  26           1HG      THR  26   1.005 -13.331  -3.229
  199   1HG2  THR  26          1HG2      THR  26  -1.186 -14.317  -1.815
  200   2HG2  THR  26          2HG2      THR  26  -1.725 -12.786  -1.126
  201   3HG2  THR  26          3HG2      THR  26  -0.921 -13.977  -0.104
  202    H    ASN  27           H        ASN  27   0.802  -9.108  -0.392
  203    HA   ASN  27           HA       ASN  27  -0.541  -7.225  -0.887
  204   1HB   ASN  27          2HB       ASN  27  -0.818  -7.048  -3.338
  205   2HB   ASN  27          1HB       ASN  27   0.779  -7.645  -2.887
  206   1HD2  ASN  27          1HD2      ASN  27  -2.352  -8.607  -4.260
  207   2HD2  ASN  27          2HD2      ASN  27  -1.817 -10.093  -4.883
  208    H    ALA  28           H        ALA  28  -2.531  -6.958  -0.070
  209    HA   ALA  28           HA       ALA  28  -4.856  -7.894  -1.573
  210   1HB   ALA  28          1HB       ALA  28  -5.666  -9.447  -0.016
  211   2HB   ALA  28          2HB       ALA  28  -4.701  -8.774   1.298
  212   3HB   ALA  28          3HB       ALA  28  -3.930  -9.752   0.049
  213    H    GLU  29           H        GLU  29  -3.807  -6.609   1.607
  214    HA   GLU  29           HA       GLU  29  -4.914  -4.051   1.325
  215   1HB   GLU  29          2HB       GLU  29  -7.073  -4.494   2.680
  216   2HB   GLU  29          1HB       GLU  29  -7.066  -4.957   0.982
  217   1HG   GLU  29          2HG       GLU  29  -7.460  -7.102   1.538
  218   2HG   GLU  29          1HG       GLU  29  -6.006  -7.129   2.537
  219    H    LYS  30           H        LYS  30  -2.675  -4.769   2.774
  220    HA   LYS  30           HA       LYS  30  -3.642  -4.478   5.567
  221   1HB   LYS  30          2HB       LYS  30  -1.178  -5.774   4.499
  222   2HB   LYS  30          1HB       LYS  30  -1.300  -5.273   6.179
  223   1HG   LYS  30          2HG       LYS  30  -3.225  -7.157   4.779
  224   2HG   LYS  30          1HG       LYS  30  -1.975  -7.633   5.926
  225   1HD   LYS  30          2HD       LYS  30  -4.333  -5.819   6.511
  226   2HD   LYS  30          1HD       LYS  30  -4.137  -7.482   7.055
  227   1HE   LYS  30          2HE       LYS  30  -1.962  -6.726   8.180
  228   2HE   LYS  30          1HE       LYS  30  -2.511  -5.066   7.880
  229   1HZ   LYS  30          1HZ       LYS  30  -4.540  -5.501   9.030
  230   2HZ   LYS  30          2HZ       LYS  30  -3.267  -5.983  10.047
  231   3HZ   LYS  30          3HZ       LYS  30  -4.169  -7.146   9.198
  232    H    ARG  31           H        ARG  31  -0.489  -3.779   4.105
  233    HA   ARG  31           HA       ARG  31  -0.928  -0.896   4.759
  234   1HB   ARG  31          2HB       ARG  31   0.549  -2.707   6.277
  235   2HB   ARG  31          1HB       ARG  31   1.770  -1.859   5.328
  236   1HG   ARG  31          2HG       ARG  31   0.665   0.310   6.030
  237   2HG   ARG  31          1HG       ARG  31  -0.311  -0.635   7.155
  238   1HD   ARG  31          2HD       ARG  31   2.716  -0.785   7.143
  239   2HD   ARG  31          1HD       ARG  31   1.822   0.374   8.146
  240    HE   ARG  31           HE       ARG  31   0.707  -2.271   8.426
  241   1HH1  ARG  31          1HH2      ARG  31   3.064  -0.017   9.510
  242   2HH1  ARG  31          2HH2      ARG  31   3.505  -0.938  10.908
  243   1HH2  ARG  31          1HH1      ARG  31   1.392  -3.583  10.157
  244   2HH2  ARG  31          2HH1      ARG  31   2.556  -2.958  11.276
  245    H    CYS  32           H        CYS  32  -0.226   0.420   3.115
  246    HA   CYS  32           HA       CYS  32   0.527  -0.379   0.574
  247   1HB   CYS  32          2HB       CYS  32   1.474   2.038   2.153
  248   2HB   CYS  32          1HB       CYS  32   1.482   1.911   0.392
  249    H    ARG  33           H        ARG  33   2.205  -1.736   0.014
  250    HA   ARG  33           HA       ARG  33   4.890  -1.211   1.226
  251   1HB   ARG  33          2HB       ARG  33   3.076  -3.443   1.548
  252   2HB   ARG  33          1HB       ARG  33   4.597  -3.990   0.843
  253   1HG   ARG  33          2HG       ARG  33   5.038  -4.098   3.137
  254   2HG   ARG  33          1HG       ARG  33   5.685  -2.515   2.707
  255   1HD   ARG  33          2HD       ARG  33   4.384  -1.917   4.545
  256   2HD   ARG  33          1HD       ARG  33   3.167  -1.764   3.267
  257    HE   ARG  33           HE       ARG  33   2.204  -3.856   3.965
  258   1HH1  ARG  33          1HH2      ARG  33   5.384  -4.126   4.955
  259   2HH1  ARG  33          2HH2      ARG  33   5.037  -4.806   6.510
  260   1HH2  ARG  33          1HH1      ARG  33   1.623  -4.245   6.293
  261   2HH2  ARG  33          2HH1      ARG  33   2.911  -4.871   7.266
  Start of MODEL   13
    1   1H    GLY   1          1HT       GLY   1  -5.972  13.006  -8.050
    2   2H    GLY   1          2HT       GLY   1  -7.514  13.675  -8.297
    3   3H    GLY   1          3HT       GLY   1  -7.106  12.188  -9.012
    4   1HA   GLY   1          2HA       GLY   1  -8.432  12.502  -6.665
    5   2HA   GLY   1          1HA       GLY   1  -7.625  11.028  -7.202
    6    H    ASP   2           H        ASP   2  -6.455  10.244  -5.511
    7    HA   ASP   2           HA       ASP   2  -4.210  11.679  -4.428
    8   1HB   ASP   2          2HB       ASP   2  -6.037  12.983  -3.407
    9   2HB   ASP   2          1HB       ASP   2  -6.716  11.506  -2.722
   10    H    CYS   3           H        CYS   3  -3.118   9.676  -4.658
   11    HA   CYS   3           HA       CYS   3  -4.175   7.172  -3.643
   12   1HB   CYS   3          2HB       CYS   3  -1.811   6.433  -4.103
   13   2HB   CYS   3          1HB       CYS   3  -2.579   7.243  -5.468
   14    H    LEU   4           H        LEU   4  -2.776   5.909  -1.976
   15    HA   LEU   4           HA       LEU   4  -2.455   7.633   0.432
   16   1HB   LEU   4          2HB       LEU   4  -2.621   4.630  -0.001
   17   2HB   LEU   4          1HB       LEU   4  -2.587   5.418   1.575
   18    HG   LEU   4           HG       LEU   4  -4.625   6.406  -0.352
   19   1HD1  LEU   4          1HD1      LEU   4  -5.465   4.351  -0.759
   20   2HD1  LEU   4          2HD1      LEU   4  -5.921   4.310   0.943
   21   3HD1  LEU   4          3HD1      LEU   4  -4.393   3.600   0.422
   22   1HD2  LEU   4          1HD2      LEU   4  -4.528   7.373   1.858
   23   2HD2  LEU   4          2HD2      LEU   4  -4.522   5.778   2.610
   24   3HD2  LEU   4          3HD2      LEU   4  -5.971   6.359   1.790
   25    HA   PRO   5           HA       PRO   5   1.927   7.282   0.603
   26   1HB   PRO   5          2HB       PRO   5   2.381   6.612   3.222
   27   2HB   PRO   5          1HB       PRO   5   1.848   8.233   2.721
   28   1HG   PRO   5          2HG       PRO   5   0.209   5.940   3.729
   29   2HG   PRO   5          1HG       PRO   5   0.162   7.643   4.217
   30   1HD   PRO   5          2HD       PRO   5  -1.642   6.660   2.535
   31   2HD   PRO   5          1HD       PRO   5  -0.976   8.292   2.296
   32    H    HIS   6           H        HIS   6   3.728   5.666   0.999
   33    HA   HIS   6           HA       HIS   6   2.804   2.976   0.482
   34   1HB   HIS   6          2HB       HIS   6   4.886   2.674  -0.500
   35   2HB   HIS   6          1HB       HIS   6   4.728   4.422  -0.632
   36    HD1  HIS   6           1HD      HIS   6   6.273   5.873   0.831
   37    HD2  HIS   6           2HD      HIS   6   6.699   1.795   1.547
   38    HE1  HIS   6           1HE      HIS   6   8.343   5.601   2.261
   39    H    LEU   7           H        LEU   7   2.413   4.058   3.122
   40    HA   LEU   7           HA       LEU   7   3.533   1.914   4.679
   41   1HB   LEU   7          2HB       LEU   7   4.964   4.271   4.408
   42   2HB   LEU   7          1HB       LEU   7   4.125   4.482   5.945
   43    HG   LEU   7           HG       LEU   7   6.308   3.396   6.276
   44   1HD1  LEU   7          1HD1      LEU   7   3.878   2.611   7.317
   45   2HD1  LEU   7          2HD1      LEU   7   5.450   2.079   7.914
   46   3HD1  LEU   7          3HD1      LEU   7   4.561   1.082   6.764
   47   1HD2  LEU   7          1HD2      LEU   7   5.202   1.075   4.680
   48   2HD2  LEU   7          2HD2      LEU   7   6.847   1.284   5.287
   49   3HD2  LEU   7          3HD2      LEU   7   6.256   2.298   3.969
   50    H    LYS   8           H        LYS   8   0.885   2.337   4.163
   51    HA   LYS   8           HA       LYS   8  -0.192   2.934   6.845
   52   1HB   LYS   8          2HB       LYS   8  -0.126   5.137   5.842
   53   2HB   LYS   8          1HB       LYS   8  -0.830   4.526   4.345
   54   1HG   LYS   8          2HG       LYS   8  -2.948   4.486   5.199
   55   2HG   LYS   8          1HG       LYS   8  -2.398   4.004   6.805
   56   1HD   LYS   8          2HD       LYS   8  -3.229   6.234   7.039
   57   2HD   LYS   8          1HD       LYS   8  -1.470   6.366   7.053
   58   1HE   LYS   8          2HE       LYS   8  -1.671   7.853   5.350
   59   2HE   LYS   8          1HE       LYS   8  -2.202   6.500   4.330
   60   1HZ   LYS   8          1HZ       LYS   8  -3.874   8.305   5.982
   61   2HZ   LYS   8          2HZ       LYS   8  -4.449   6.814   5.406
   62   3HZ   LYS   8          3HZ       LYS   8  -3.976   8.026   4.312
   63    H    ARG   9           H        ARG   9  -1.926   1.582   7.213
   64    HA   ARG   9           HA       ARG   9  -2.657  -0.558   5.620
   65   1HB   ARG   9          2HB       ARG   9  -3.358   0.391   8.030
   66   2HB   ARG   9          1HB       ARG   9  -4.808   0.854   7.138
   67   1HG   ARG   9          2HG       ARG   9  -3.673  -1.934   6.939
   68   2HG   ARG   9          1HG       ARG   9  -4.786  -1.487   8.233
   69   1HD   ARG   9          2HD       ARG   9  -6.581  -1.232   6.788
   70   2HD   ARG   9          1HD       ARG   9  -5.546  -0.774   5.421
   71    HE   ARG   9           HE       ARG   9  -4.782  -3.197   5.401
   72   1HH1  ARG   9          1HH2      ARG   9  -7.858  -2.532   4.902
   73   2HH1  ARG   9          2HH2      ARG   9  -8.550  -3.953   5.609
   74   1HH2  ARG   9          1HH1      ARG   9  -5.612  -4.925   7.174
   75   2HH2  ARG   9          2HH1      ARG   9  -7.279  -5.309   6.897
   76    H    CYS  10           H        CYS  10  -3.995  -0.868   3.835
   77    HA   CYS  10           HA       CYS  10  -5.403   1.560   2.773
   78   1HB   CYS  10          2HB       CYS  10  -4.717   0.856   0.577
   79   2HB   CYS  10          1HB       CYS  10  -3.295   0.775   1.609
   80    H    LYS  11           H        LYS  11  -7.370   1.126   1.580
   81    HA   LYS  11           HA       LYS  11  -8.853  -1.214   2.615
   82   1HB   LYS  11          2HB       LYS  11  -9.571   1.246   0.988
   83   2HB   LYS  11          1HB       LYS  11 -10.749   0.043   1.511
   84   1HG   LYS  11          2HG       LYS  11  -9.098   0.844   3.743
   85   2HG   LYS  11          1HG       LYS  11  -9.819   2.262   2.983
   86   1HD   LYS  11          2HD       LYS  11 -11.993   1.559   3.414
   87   2HD   LYS  11          1HD       LYS  11 -11.538  -0.143   3.479
   88   1HE   LYS  11          2HE       LYS  11 -10.090   0.792   5.580
   89   2HE   LYS  11          1HE       LYS  11 -11.474   1.903   5.631
   90   1HZ   LYS  11          1HZ       LYS  11 -11.604  -0.488   6.705
   91   2HZ   LYS  11          2HZ       LYS  11 -12.010  -0.926   5.115
   92   3HZ   LYS  11          3HZ       LYS  11 -12.948   0.218   5.950
   93    H    ALA  12           H        ALA  12  -7.049  -0.396  -0.151
   94    HA   ALA  12           HA       ALA  12  -7.947  -2.829  -1.550
   95   1HB   ALA  12          1HB       ALA  12  -9.171  -0.354  -2.038
   96   2HB   ALA  12          2HB       ALA  12  -9.259  -1.780  -3.071
   97   3HB   ALA  12          3HB       ALA  12  -8.030  -0.552  -3.367
   98    H    ASP  13           H        ASP  13  -6.506  -3.323  -3.380
   99    HA   ASP  13           HA       ASP  13  -3.772  -2.806  -2.870
  100   1HB   ASP  13          2HB       ASP  13  -5.005  -3.577  -5.524
  101   2HB   ASP  13          1HB       ASP  13  -3.428  -4.052  -4.890
  102    H    ASN  14           H        ASN  14  -6.081  -1.202  -5.039
  103    HA   ASN  14           HA       ASN  14  -3.968   0.542  -6.156
  104   1HB   ASN  14          2HB       ASN  14  -5.801  -0.431  -7.525
  105   2HB   ASN  14          1HB       ASN  14  -6.975   0.462  -6.555
  106   1HD2  ASN  14          1HD2      ASN  14  -7.600   2.379  -7.544
  107   2HD2  ASN  14          2HD2      ASN  14  -6.616   3.332  -8.545
  108    H    ASP  15           H        ASP  15  -4.451   0.806  -3.294
  109    HA   ASP  15           HA       ASP  15  -5.785   3.471  -3.144
  110   1HB   ASP  15          2HB       ASP  15  -5.937   1.109  -1.664
  111   2HB   ASP  15          1HB       ASP  15  -5.162   2.275  -0.607
  112    H    CYS  16           H        CYS  16  -2.782   1.797  -2.826
  113    HA   CYS  16           HA       CYS  16  -1.396   3.841  -1.225
  114   1HB   CYS  16          2HB       CYS  16  -0.364   1.572  -2.965
  115   2HB   CYS  16          1HB       CYS  16   0.490   2.350  -1.630
  116    H    CYS  17           H        CYS  17   0.479   5.023  -2.133
  117    HA   CYS  17           HA       CYS  17  -0.083   6.212  -4.750
  118   1HB   CYS  17          2HB       CYS  17   1.962   6.558  -2.556
  119   2HB   CYS  17          1HB       CYS  17   2.106   7.419  -4.092
  120    H    GLY  18           H        GLY  18   1.666   3.508  -3.574
  121   1HA   GLY  18          2HA       GLY  18   3.555   3.559  -5.874
  122   2HA   GLY  18          1HA       GLY  18   3.621   2.435  -4.511
  123    H    LYS  19           H        LYS  19   0.443   2.601  -5.221
  124    HA   LYS  19           HA       LYS  19  -1.042   1.186  -6.391
  125   1HB   LYS  19          2HB       LYS  19   1.272   1.711  -8.138
  126   2HB   LYS  19          1HB       LYS  19   0.426   0.214  -8.526
  127   1HG   LYS  19          2HG       LYS  19  -1.672   1.381  -8.768
  128   2HG   LYS  19          1HG       LYS  19  -0.968   2.876  -8.153
  129   1HD   LYS  19          2HD       LYS  19  -0.399   3.435 -10.255
  130   2HD   LYS  19          1HD       LYS  19   0.675   2.037 -10.304
  131   1HE   LYS  19          2HE       LYS  19  -1.389   0.640 -10.908
  132   2HE   LYS  19          1HE       LYS  19  -2.217   2.185 -11.188
  133   1HZ   LYS  19          1HZ       LYS  19   0.252   1.191 -12.496
  134   2HZ   LYS  19          2HZ       LYS  19  -0.235   2.816 -12.571
  135   3HZ   LYS  19          3HZ       LYS  19  -1.217   1.599 -13.235
  136    H    LYS  20           H        LYS  20   1.143   0.245  -4.426
  137    HA   LYS  20           HA       LYS  20   0.731  -2.657  -4.942
  138   1HB   LYS  20          2HB       LYS  20   3.351  -1.197  -4.497
  139   2HB   LYS  20          1HB       LYS  20   3.190  -2.951  -4.369
  140   1HG   LYS  20          2HG       LYS  20   2.159  -2.873  -6.717
  141   2HG   LYS  20          1HG       LYS  20   2.760  -1.217  -6.808
  142   1HD   LYS  20          2HD       LYS  20   4.969  -1.875  -6.873
  143   2HD   LYS  20          1HD       LYS  20   4.673  -3.335  -5.929
  144   1HE   LYS  20          2HE       LYS  20   4.491  -4.556  -7.827
  145   2HE   LYS  20          1HE       LYS  20   3.213  -3.480  -8.426
  146   1HZ   LYS  20          1HZ       LYS  20   4.926  -1.887  -9.079
  147   2HZ   LYS  20          2HZ       LYS  20   5.147  -3.375  -9.870
  148   3HZ   LYS  20          3HZ       LYS  20   6.138  -2.952  -8.556
  149    H    CYS  21           H        CYS  21  -0.762  -2.548  -3.146
  150    HA   CYS  21           HA       CYS  21   0.299  -1.723  -0.513
  151   1HB   CYS  21          2HB       CYS  21  -2.080  -1.344  -1.506
  152   2HB   CYS  21          1HB       CYS  21  -2.363  -3.032  -1.089
  153    H    LYS  22           H        LYS  22   1.249  -3.299   0.838
  154    HA   LYS  22           HA       LYS  22   1.262  -6.103  -0.050
  155   1HB   LYS  22          2HB       LYS  22   2.584  -4.416   2.042
  156   2HB   LYS  22          1HB       LYS  22   2.665  -6.170   2.184
  157   1HG   LYS  22          2HG       LYS  22   3.308  -4.896  -0.455
  158   2HG   LYS  22          1HG       LYS  22   4.523  -4.879   0.824
  159   1HD   LYS  22          2HD       LYS  22   4.270  -7.351   1.049
  160   2HD   LYS  22          1HD       LYS  22   3.151  -7.330  -0.315
  161   1HE   LYS  22          2HE       LYS  22   5.790  -5.996  -0.730
  162   2HE   LYS  22          1HE       LYS  22   5.777  -7.770  -0.670
  163   1HZ   LYS  22          1HZ       LYS  22   3.612  -6.523  -2.154
  164   2HZ   LYS  22          2HZ       LYS  22   4.504  -7.924  -2.509
  165   3HZ   LYS  22          3HZ       LYS  22   5.150  -6.392  -2.860
  166    H    ARG  23           H        ARG  23  -0.096  -7.657   0.720
  167    HA   ARG  23           HA       ARG  23  -1.839  -7.025   3.028
  168   1HB   ARG  23          2HB       ARG  23  -2.434  -9.514   1.667
  169   2HB   ARG  23          1HB       ARG  23  -3.444  -8.087   1.839
  170   1HG   ARG  23          2HG       ARG  23  -3.231  -8.085  -0.448
  171   2HG   ARG  23          1HG       ARG  23  -1.772  -7.176  -0.075
  172   1HD   ARG  23          2HD       ARG  23  -1.297  -9.034  -1.655
  173   2HD   ARG  23          1HD       ARG  23  -0.476  -9.312  -0.104
  174    HE   ARG  23           HE       ARG  23  -3.156 -10.397  -0.066
  175   1HH1  ARG  23          1HH1      ARG  23  -0.567 -11.615   1.034
  176   2HH1  ARG  23          2HH1      ARG  23  -0.414 -13.021   0.035
  177   1HH2  ARG  23          1HH2      ARG  23  -2.686 -11.911  -2.338
  178   2HH2  ARG  23          2HH2      ARG  23  -1.613 -13.189  -1.874
  179    H    ARG  24           H        ARG  24  -2.404  -9.220   4.299
  180    HA   ARG  24           HA       ARG  24  -0.194 -11.112   4.518
  181   1HB   ARG  24          2HB       ARG  24  -0.105  -8.654   5.912
  182   2HB   ARG  24          1HB       ARG  24  -0.516  -9.877   7.115
  183   1HG   ARG  24          2HG       ARG  24   1.408 -11.234   6.418
  184   2HG   ARG  24          1HG       ARG  24   1.812 -10.044   5.180
  185   1HD   ARG  24          2HD       ARG  24   3.145  -9.127   6.800
  186   2HD   ARG  24          1HD       ARG  24   1.628  -8.486   7.462
  187    HE   ARG  24           HE       ARG  24   1.569 -10.325   9.028
  188   1HH1  ARG  24          1HH2      ARG  24   2.801 -12.377   7.163
  189   2HH1  ARG  24          2HH2      ARG  24   4.325 -12.668   7.933
  190   1HH2  ARG  24          1HH1      ARG  24   4.166  -9.824   9.914
  191   2HH2  ARG  24          2HH1      ARG  24   5.099 -11.222   9.491
  192    H    GLY  25           H        GLY  25  -2.996 -11.385   4.059
  193   1HA   GLY  25          2HA       GLY  25  -3.652 -13.129   6.362
  194   2HA   GLY  25          1HA       GLY  25  -4.820 -11.864   5.975
  195    H    THR  26           H        THR  26  -5.483 -11.820   3.597
  196    HA   THR  26           HA       THR  26  -5.377 -14.456   2.244
  197    HB   THR  26           HB       THR  26  -7.241 -14.646   3.815
  198    HG1  THR  26           1HG      THR  26  -8.212 -14.013   1.228
  199   1HG2  THR  26          1HG2      THR  26  -8.111 -12.665   4.487
  200   2HG2  THR  26          2HG2      THR  26  -9.142 -12.803   3.062
  201   3HG2  THR  26          3HG2      THR  26  -7.655 -11.857   2.986
  202    H    ASN  27           H        ASN  27  -4.150 -12.848   0.811
  203    HA   ASN  27           HA       ASN  27  -4.115 -11.568  -1.187
  204   1HB   ASN  27          2HB       ASN  27  -7.093 -12.083  -1.194
  205   2HB   ASN  27          1HB       ASN  27  -6.035 -11.850  -2.583
  206   1HD2  ASN  27          1HD2      ASN  27  -5.828 -13.829  -3.641
  207   2HD2  ASN  27          2HD2      ASN  27  -5.586 -15.323  -2.874
  208    H    ALA  28           H        ALA  28  -6.098  -9.833  -2.157
  209    HA   ALA  28           HA       ALA  28  -7.095  -7.724  -1.799
  210   1HB   ALA  28          1HB       ALA  28  -8.039  -9.100   0.160
  211   2HB   ALA  28          2HB       ALA  28  -8.038  -7.350   0.362
  212   3HB   ALA  28          3HB       ALA  28  -6.807  -8.329   1.154
  213    H    GLU  29           H        GLU  29  -5.898  -6.777   1.167
  214    HA   GLU  29           HA       GLU  29  -3.174  -6.069   0.489
  215   1HB   GLU  29          2HB       GLU  29  -3.620  -3.684   0.043
  216   2HB   GLU  29          1HB       GLU  29  -4.450  -4.698  -1.136
  217   1HG   GLU  29          2HG       GLU  29  -5.798  -3.714   1.386
  218   2HG   GLU  29          1HG       GLU  29  -5.822  -2.793  -0.116
  219    H    LYS  30           H        LYS  30  -2.137  -5.304   2.373
  220    HA   LYS  30           HA       LYS  30  -3.952  -4.797   4.676
  221   1HB   LYS  30          2HB       LYS  30  -1.233  -6.059   4.462
  222   2HB   LYS  30          1HB       LYS  30  -1.898  -5.524   6.007
  223   1HG   LYS  30          2HG       LYS  30  -3.129  -7.556   4.125
  224   2HG   LYS  30          1HG       LYS  30  -2.447  -7.872   5.720
  225   1HD   LYS  30          2HD       LYS  30  -4.320  -5.852   6.157
  226   2HD   LYS  30          1HD       LYS  30  -5.098  -6.920   4.988
  227   1HE   LYS  30          2HE       LYS  30  -5.664  -7.833   7.126
  228   2HE   LYS  30          1HE       LYS  30  -4.335  -8.854   6.541
  229   1HZ   LYS  30          1HZ       LYS  30  -3.530  -8.257   8.586
  230   2HZ   LYS  30          2HZ       LYS  30  -4.296  -6.741   8.580
  231   3HZ   LYS  30          3HZ       LYS  30  -2.897  -6.993   7.648
  232    H    ARG  31           H        ARG  31  -0.604  -3.979   3.740
  233    HA   ARG  31           HA       ARG  31  -1.179  -1.164   4.592
  234   1HB   ARG  31          2HB       ARG  31   0.805  -3.153   5.533
  235   2HB   ARG  31          1HB       ARG  31   1.442  -1.531   5.261
  236   1HG   ARG  31          2HG       ARG  31  -0.663  -0.745   6.593
  237   2HG   ARG  31          1HG       ARG  31  -0.715  -2.412   7.166
  238   1HD   ARG  31          2HD       ARG  31   0.974  -2.011   8.621
  239   2HD   ARG  31          1HD       ARG  31   1.996  -1.373   7.316
  240    HE   ARG  31           HE       ARG  31   0.448   0.742   7.595
  241   1HH1  ARG  31          1HH1      ARG  31  -0.612  -0.740  10.141
  242   2HH1  ARG  31          2HH1      ARG  31   0.239   0.139  11.366
  243   1HH2  ARG  31          1HH2      ARG  31   2.469   1.597   9.144
  244   2HH2  ARG  31          2HH2      ARG  31   1.984   1.462  10.803
  245    H    CYS  32           H        CYS  32  -0.115   0.432   3.359
  246    HA   CYS  32           HA       CYS  32   0.675  -0.280   0.654
  247   1HB   CYS  32          2HB       CYS  32   0.741   2.255   2.315
  248   2HB   CYS  32          1HB       CYS  32   1.170   2.207   0.604
  249    H    ARG  33           H        ARG  33   2.761  -0.593  -0.143
  250    HA   ARG  33           HA       ARG  33   5.083   0.543   1.248
  251   1HB   ARG  33          2HB       ARG  33   5.787  -2.190   1.142
  252   2HB   ARG  33          1HB       ARG  33   5.512  -1.226   2.583
  253   1HG   ARG  33          2HG       ARG  33   3.058  -2.278   1.292
  254   2HG   ARG  33          1HG       ARG  33   4.140  -3.481   1.980
  255   1HD   ARG  33          2HD       ARG  33   4.188  -1.749   4.021
  256   2HD   ARG  33          1HD       ARG  33   2.584  -1.354   3.377
  257    HE   ARG  33           HE       ARG  33   1.918  -3.659   3.715
  258   1HH1  ARG  33          1HH1      ARG  33   5.231  -3.835   3.676
  259   2HH1  ARG  33          2HH1      ARG  33   5.392  -4.837   5.080
  260   1HH2  ARG  33          1HH2      ARG  33   2.056  -4.550   5.989
  261   2HH2  ARG  33          2HH2      ARG  33   3.593  -5.243   6.388
  Start of MODEL   14
    1   1H    GLY   1          1HT       GLY   1  -2.700  13.233  -8.976
    2   2H    GLY   1          2HT       GLY   1  -4.278  13.088  -8.363
    3   3H    GLY   1          3HT       GLY   1  -3.926  12.569  -9.942
    4   1HA   GLY   1          2HA       GLY   1  -3.493  10.548  -9.195
    5   2HA   GLY   1          1HA       GLY   1  -2.179  11.230  -8.234
    6    H    ASP   2           H        ASP   2  -2.957  12.350  -6.147
    7    HA   ASP   2           HA       ASP   2  -4.014  12.116  -4.048
    8   1HB   ASP   2          2HB       ASP   2  -5.858  12.903  -5.607
    9   2HB   ASP   2          1HB       ASP   2  -6.338  11.214  -5.773
   10    H    CYS   3           H        CYS   3  -2.628  10.241  -3.542
   11    HA   CYS   3           HA       CYS   3  -4.183   7.681  -3.471
   12   1HB   CYS   3          2HB       CYS   3  -1.868   6.621  -3.815
   13   2HB   CYS   3          1HB       CYS   3  -2.598   7.395  -5.221
   14    H    LEU   4           H        LEU   4  -2.786   6.122  -1.906
   15    HA   LEU   4           HA       LEU   4  -2.513   7.637   0.635
   16   1HB   LEU   4          2HB       LEU   4  -2.604   4.672  -0.012
   17   2HB   LEU   4          1HB       LEU   4  -2.661   5.361   1.607
   18    HG   LEU   4           HG       LEU   4  -4.636   6.373  -0.387
   19   1HD1  LEU   4          1HD1      LEU   4  -4.356   3.574   0.311
   20   2HD1  LEU   4          2HD1      LEU   4  -5.489   4.332  -0.808
   21   3HD1  LEU   4          3HD1      LEU   4  -5.888   4.214   0.906
   22   1HD2  LEU   4          1HD2      LEU   4  -5.952   5.894   1.936
   23   2HD2  LEU   4          2HD2      LEU   4  -5.064   7.384   1.620
   24   3HD2  LEU   4          3HD2      LEU   4  -4.311   6.089   2.550
   25    HA   PRO   5           HA       PRO   5   1.847   7.452   0.899
   26   1HB   PRO   5          2HB       PRO   5   2.249   6.573   3.467
   27   2HB   PRO   5          1HB       PRO   5   1.673   8.209   3.078
   28   1HG   PRO   5          2HG       PRO   5   0.080   5.784   3.812
   29   2HG   PRO   5          1HG       PRO   5  -0.036   7.428   4.465
   30   1HD   PRO   5          2HD       PRO   5  -1.760   6.594   2.641
   31   2HD   PRO   5          1HD       PRO   5  -1.092   8.242   2.546
   32    H    HIS   6           H        HIS   6   3.716   5.932   1.282
   33    HA   HIS   6           HA       HIS   6   3.042   3.264   0.401
   34   1HB   HIS   6          2HB       HIS   6   4.738   4.440  -0.808
   35   2HB   HIS   6          1HB       HIS   6   5.570   4.872   0.685
   36    HD1  HIS   6           1HD      HIS   6   7.758   3.650   0.390
   37    HD2  HIS   6           2HD      HIS   6   4.470   1.176  -0.271
   38    HE1  HIS   6           1HE      HIS   6   8.669   1.300   0.152
   39    H    LEU   7           H        LEU   7   2.456   3.921   3.175
   40    HA   LEU   7           HA       LEU   7   3.713   1.666   4.422
   41   1HB   LEU   7          2HB       LEU   7   4.625   4.434   4.831
   42   2HB   LEU   7          1HB       LEU   7   4.350   3.537   6.323
   43    HG   LEU   7           HG       LEU   7   6.188   2.786   4.038
   44   1HD1  LEU   7          1HD1      LEU   7   7.906   3.298   5.465
   45   2HD1  LEU   7          2HD1      LEU   7   6.997   2.819   6.899
   46   3HD1  LEU   7          3HD1      LEU   7   6.691   4.383   6.142
   47   1HD2  LEU   7          1HD2      LEU   7   5.379   0.679   4.593
   48   2HD2  LEU   7          2HD2      LEU   7   4.983   1.154   6.245
   49   3HD2  LEU   7          3HD2      LEU   7   6.659   0.844   5.795
   50    H    LYS   8           H        LYS   8   0.985   3.103   3.899
   51    HA   LYS   8           HA       LYS   8  -0.015   2.873   6.721
   52   1HB   LYS   8          2HB       LYS   8  -0.015   5.141   5.560
   53   2HB   LYS   8          1HB       LYS   8  -1.202   4.473   4.439
   54   1HG   LYS   8          2HG       LYS   8  -2.825   4.206   6.127
   55   2HG   LYS   8          1HG       LYS   8  -1.628   4.318   7.419
   56   1HD   LYS   8          2HD       LYS   8  -1.195   6.711   6.575
   57   2HD   LYS   8          1HD       LYS   8  -2.696   6.533   5.666
   58   1HE   LYS   8          2HE       LYS   8  -3.400   7.509   7.710
   59   2HE   LYS   8          1HE       LYS   8  -3.711   5.780   7.962
   60   1HZ   LYS   8          1HZ       LYS   8  -2.188   7.247   9.593
   61   2HZ   LYS   8          2HZ       LYS   8  -1.004   6.670   8.520
   62   3HZ   LYS   8          3HZ       LYS   8  -1.986   5.578   9.376
   63    H    ARG   9           H        ARG   9  -2.174   1.924   6.922
   64    HA   ARG   9           HA       ARG   9  -2.602  -0.434   5.447
   65   1HB   ARG   9          2HB       ARG   9  -3.714   0.941   7.608
   66   2HB   ARG   9          1HB       ARG   9  -5.047   0.811   6.460
   67   1HG   ARG   9          2HG       ARG   9  -3.457  -1.654   6.736
   68   2HG   ARG   9          1HG       ARG   9  -4.302  -1.172   8.207
   69   1HD   ARG   9          2HD       ARG   9  -6.362  -1.603   7.313
   70   2HD   ARG   9          1HD       ARG   9  -5.903  -0.979   5.716
   71    HE   ARG   9           HE       ARG   9  -4.620  -3.122   5.395
   72   1HH1  ARG   9          1HH2      ARG   9  -5.552  -3.450   8.498
   73   2HH1  ARG   9          2HH2      ARG   9  -6.485  -4.897   8.301
   74   1HH2  ARG   9          1HH1      ARG   9  -6.463  -4.755   4.837
   75   2HH2  ARG   9          2HH1      ARG   9  -7.001  -5.635   6.228
   76    H    CYS  10           H        CYS  10  -4.589  -0.869   4.029
   77    HA   CYS  10           HA       CYS  10  -5.404   1.480   2.383
   78   1HB   CYS  10          2HB       CYS  10  -4.698  -0.904   0.801
   79   2HB   CYS  10          1HB       CYS  10  -4.316   0.786   0.501
   80    H    LYS  11           H        LYS  11  -7.379   1.114   1.238
   81    HA   LYS  11           HA       LYS  11  -9.086  -0.992   2.389
   82   1HB   LYS  11          2HB       LYS  11  -9.321   1.584   1.072
   83   2HB   LYS  11          1HB       LYS  11 -10.410   0.410   0.330
   84   1HG   LYS  11          2HG       LYS  11 -10.902  -0.196   2.880
   85   2HG   LYS  11          1HG       LYS  11 -10.384   1.472   3.123
   86   1HD   LYS  11          2HD       LYS  11 -12.322   0.930   0.918
   87   2HD   LYS  11          1HD       LYS  11 -12.927   0.877   2.574
   88   1HE   LYS  11          2HE       LYS  11 -11.176   3.188   2.038
   89   2HE   LYS  11          1HE       LYS  11 -12.682   3.188   1.099
   90   1HZ   LYS  11          1HZ       LYS  11 -13.875   2.647   3.173
   91   2HZ   LYS  11          2HZ       LYS  11 -13.109   4.162   3.240
   92   3HZ   LYS  11          3HZ       LYS  11 -12.428   2.827   4.039
   93    H    ALA  12           H        ALA  12  -7.364  -0.307  -0.587
   94    HA   ALA  12           HA       ALA  12  -7.992  -3.028  -1.577
   95   1HB   ALA  12          1HB       ALA  12  -8.294  -0.801  -3.535
   96   2HB   ALA  12          2HB       ALA  12  -9.581  -0.983  -2.343
   97   3HB   ALA  12          3HB       ALA  12  -9.182  -2.320  -3.423
   98    H    ASP  13           H        ASP  13  -6.411  -3.766  -3.101
   99    HA   ASP  13           HA       ASP  13  -3.766  -3.060  -2.778
  100   1HB   ASP  13          2HB       ASP  13  -5.101  -3.941  -5.358
  101   2HB   ASP  13          1HB       ASP  13  -3.416  -4.222  -4.902
  102    H    ASN  14           H        ASN  14  -6.098  -1.544  -4.994
  103    HA   ASN  14           HA       ASN  14  -4.021   0.250  -6.095
  104   1HB   ASN  14          2HB       ASN  14  -6.719  -0.697  -6.735
  105   2HB   ASN  14          1HB       ASN  14  -6.506   1.025  -7.051
  106   1HD2  ASN  14          1HD2      ASN  14  -4.495   1.598  -8.394
  107   2HD2  ASN  14          2HD2      ASN  14  -3.999   0.495  -9.585
  108    H    ASP  15           H        ASP  15  -4.119   0.845  -3.434
  109    HA   ASP  15           HA       ASP  15  -5.703   3.382  -3.349
  110   1HB   ASP  15          2HB       ASP  15  -5.925   1.085  -1.791
  111   2HB   ASP  15          1HB       ASP  15  -5.197   2.287  -0.743
  112    H    CYS  16           H        CYS  16  -2.677   1.795  -2.833
  113    HA   CYS  16           HA       CYS  16  -1.441   3.876  -1.175
  114   1HB   CYS  16          2HB       CYS  16  -0.377   1.558  -2.830
  115   2HB   CYS  16          1HB       CYS  16   0.553   2.459  -1.625
  116    H    CYS  17           H        CYS  17   0.507   5.063  -1.996
  117    HA   CYS  17           HA       CYS  17  -0.001   6.301  -4.598
  118   1HB   CYS  17          2HB       CYS  17   1.994   6.583  -2.354
  119   2HB   CYS  17          1HB       CYS  17   2.236   7.426  -3.885
  120    H    GLY  18           H        GLY  18   1.540   3.473  -3.549
  121   1HA   GLY  18          2HA       GLY  18   3.491   3.544  -5.808
  122   2HA   GLY  18          1HA       GLY  18   3.552   2.414  -4.451
  123    H    LYS  19           H        LYS  19   0.370   2.603  -5.134
  124    HA   LYS  19           HA       LYS  19  -1.135   1.203  -6.291
  125   1HB   LYS  19          2HB       LYS  19   0.455   2.290  -8.117
  126   2HB   LYS  19          1HB       LYS  19   1.070   0.644  -8.259
  127   1HG   LYS  19          2HG       LYS  19  -1.182  -0.192  -8.728
  128   2HG   LYS  19          1HG       LYS  19  -1.850   1.425  -8.501
  129   1HD   LYS  19          2HD       LYS  19  -0.751   2.266 -10.440
  130   2HD   LYS  19          1HD       LYS  19   0.299   0.853 -10.547
  131   1HE   LYS  19          2HE       LYS  19  -2.377  -0.116 -10.593
  132   2HE   LYS  19          1HE       LYS  19  -2.282   1.226 -11.752
  133   1HZ   LYS  19          1HZ       LYS  19  -0.406   0.264 -12.789
  134   2HZ   LYS  19          2HZ       LYS  19  -1.539  -0.992 -12.630
  135   3HZ   LYS  19          3HZ       LYS  19  -0.219  -0.895 -11.564
  136    H    LYS  20           H        LYS  20   0.606   0.127  -4.210
  137    HA   LYS  20           HA       LYS  20   0.323  -2.726  -4.856
  138   1HB   LYS  20          2HB       LYS  20   2.830  -1.223  -5.062
  139   2HB   LYS  20          1HB       LYS  20   2.964  -2.625  -3.999
  140   1HG   LYS  20          2HG       LYS  20   2.871  -4.060  -5.740
  141   2HG   LYS  20          1HG       LYS  20   1.463  -3.243  -6.423
  142   1HD   LYS  20          2HD       LYS  20   2.722  -2.072  -7.893
  143   2HD   LYS  20          1HD       LYS  20   3.921  -1.668  -6.664
  144   1HE   LYS  20          2HE       LYS  20   4.111  -4.483  -7.212
  145   2HE   LYS  20          1HE       LYS  20   4.175  -3.594  -8.746
  146   1HZ   LYS  20          1HZ       LYS  20   5.920  -3.349  -6.390
  147   2HZ   LYS  20          2HZ       LYS  20   5.677  -1.995  -7.386
  148   3HZ   LYS  20          3HZ       LYS  20   6.341  -3.420  -8.031
  149    H    CYS  21           H        CYS  21  -1.153  -2.311  -2.932
  150    HA   CYS  21           HA       CYS  21   0.125  -1.675  -0.373
  151   1HB   CYS  21          2HB       CYS  21  -2.263  -1.137  -0.920
  152   2HB   CYS  21          1HB       CYS  21  -2.602  -2.866  -1.039
  153    H    LYS  22           H        LYS  22   1.226  -3.258   0.819
  154    HA   LYS  22           HA       LYS  22   1.149  -6.046  -0.115
  155   1HB   LYS  22          2HB       LYS  22   3.026  -4.349   0.931
  156   2HB   LYS  22          1HB       LYS  22   2.640  -5.355   2.328
  157   1HG   LYS  22          2HG       LYS  22   2.809  -7.282   0.459
  158   2HG   LYS  22          1HG       LYS  22   3.913  -6.107  -0.258
  159   1HD   LYS  22          2HD       LYS  22   5.495  -6.863   1.154
  160   2HD   LYS  22          1HD       LYS  22   4.570  -6.134   2.467
  161   1HE   LYS  22          2HE       LYS  22   3.245  -8.558   1.886
  162   2HE   LYS  22          1HE       LYS  22   4.978  -8.943   1.902
  163   1HZ   LYS  22          1HZ       LYS  22   4.853  -7.260   3.940
  164   2HZ   LYS  22          2HZ       LYS  22   4.644  -8.936   4.127
  165   3HZ   LYS  22          3HZ       LYS  22   3.291  -7.913   4.044
  166    H    ARG  23           H        ARG  23  -0.230  -7.527   0.709
  167    HA   ARG  23           HA       ARG  23  -1.730  -6.983   3.167
  168   1HB   ARG  23          2HB       ARG  23  -3.165  -8.655   2.368
  169   2HB   ARG  23          1HB       ARG  23  -2.503  -7.993   0.883
  170   1HG   ARG  23          2HG       ARG  23  -0.976 -10.248   2.095
  171   2HG   ARG  23          1HG       ARG  23  -2.547 -10.641   1.414
  172   1HD   ARG  23          2HD       ARG  23  -0.308  -9.201  -0.051
  173   2HD   ARG  23          1HD       ARG  23  -0.819 -10.879  -0.312
  174    HE   ARG  23           HE       ARG  23  -3.055  -9.039  -0.494
  175   1HH1  ARG  23          1HH1      ARG  23  -0.454 -10.607  -2.127
  176   2HH1  ARG  23          2HH1      ARG  23  -1.075 -10.277  -3.709
  177   1HH2  ARG  23          1HH2      ARG  23  -3.819  -8.501  -2.559
  178   2HH2  ARG  23          2HH2      ARG  23  -2.976  -9.086  -3.953
  179    H    ARG  24           H        ARG  24  -2.070  -9.375   4.358
  180    HA   ARG  24           HA       ARG  24   0.472 -10.779   4.753
  181   1HB   ARG  24          2HB       ARG  24  -0.274  -8.467   6.299
  182   2HB   ARG  24          1HB       ARG  24  -0.247  -9.883   7.350
  183   1HG   ARG  24          2HG       ARG  24   1.997  -9.122   5.462
  184   2HG   ARG  24          1HG       ARG  24   1.976  -8.739   7.184
  185   1HD   ARG  24          2HD       ARG  24   1.592 -11.284   7.543
  186   2HD   ARG  24          1HD       ARG  24   2.161 -11.452   5.869
  187    HE   ARG  24           HE       ARG  24   3.787  -9.881   7.816
  188   1HH1  ARG  24          1HH1      ARG  24   3.909 -11.361   4.865
  189   2HH1  ARG  24          2HH1      ARG  24   5.322 -12.313   5.175
  190   1HH2  ARG  24          1HH2      ARG  24   5.373 -11.616   8.570
  191   2HH2  ARG  24          2HH2      ARG  24   6.148 -12.461   7.272
  192    H    GLY  25           H        GLY  25  -2.052 -11.694   3.933
  193   1HA   GLY  25          2HA       GLY  25  -2.561 -13.706   6.004
  194   2HA   GLY  25          1HA       GLY  25  -3.922 -12.621   5.712
  195    H    THR  26           H        THR  26  -5.052 -12.774   3.747
  196    HA   THR  26           HA       THR  26  -4.286 -15.089   1.997
  197    HB   THR  26           HB       THR  26  -6.205 -15.732   3.236
  198    HG1  THR  26           1HG      THR  26  -7.283 -16.182   1.512
  199   1HG2  THR  26          1HG2      THR  26  -7.019 -13.938   4.412
  200   2HG2  THR  26          2HG2      THR  26  -8.209 -13.939   3.110
  201   3HG2  THR  26          3HG2      THR  26  -6.839 -12.831   3.051
  202    H    ASN  27           H        ASN  27  -3.136 -13.197   0.836
  203    HA   ASN  27           HA       ASN  27  -3.074 -11.799  -1.077
  204   1HB   ASN  27          2HB       ASN  27  -5.956 -12.633  -1.418
  205   2HB   ASN  27          1HB       ASN  27  -4.802 -12.184  -2.672
  206   1HD2  ASN  27          1HD2      ASN  27  -2.641 -13.798  -1.202
  207   2HD2  ASN  27          2HD2      ASN  27  -2.981 -15.412  -1.606
  208    H    ALA  28           H        ALA  28  -5.201 -10.288  -2.145
  209    HA   ALA  28           HA       ALA  28  -6.526  -8.360  -1.773
  210   1HB   ALA  28          1HB       ALA  28  -6.196  -8.915   1.184
  211   2HB   ALA  28          2HB       ALA  28  -7.285  -9.869   0.182
  212   3HB   ALA  28          3HB       ALA  28  -7.546  -8.135   0.363
  213    H    GLU  29           H        GLU  29  -5.517  -7.241   1.191
  214    HA   GLU  29           HA       GLU  29  -2.877  -6.238   0.580
  215   1HB   GLU  29          2HB       GLU  29  -3.797  -3.841   0.212
  216   2HB   GLU  29          1HB       GLU  29  -3.901  -4.971  -1.133
  217   1HG   GLU  29          2HG       GLU  29  -6.045  -3.942  -1.011
  218   2HG   GLU  29          1HG       GLU  29  -6.258  -5.531  -0.282
  219    H    LYS  30           H        LYS  30  -2.013  -5.195   2.403
  220    HA   LYS  30           HA       LYS  30  -3.915  -4.719   4.662
  221   1HB   LYS  30          2HB       LYS  30  -1.141  -5.891   4.550
  222   2HB   LYS  30          1HB       LYS  30  -1.861  -5.321   6.059
  223   1HG   LYS  30          2HG       LYS  30  -3.163  -7.364   4.233
  224   2HG   LYS  30          1HG       LYS  30  -2.210  -7.778   5.659
  225   1HD   LYS  30          2HD       LYS  30  -4.274  -5.754   6.176
  226   2HD   LYS  30          1HD       LYS  30  -4.926  -7.307   5.649
  227   1HE   LYS  30          2HE       LYS  30  -3.352  -8.372   7.398
  228   2HE   LYS  30          1HE       LYS  30  -3.191  -6.732   8.060
  229   1HZ   LYS  30          1HZ       LYS  30  -5.074  -7.992   9.029
  230   2HZ   LYS  30          2HZ       LYS  30  -5.788  -8.059   7.487
  231   3HZ   LYS  30          3HZ       LYS  30  -5.556  -6.561   8.257
  232    H    ARG  31           H        ARG  31  -0.536  -3.901   3.823
  233    HA   ARG  31           HA       ARG  31  -1.196  -1.040   4.425
  234   1HB   ARG  31          2HB       ARG  31  -0.060  -1.893   6.348
  235   2HB   ARG  31          1HB       ARG  31   1.111  -2.761   5.355
  236   1HG   ARG  31          2HG       ARG  31   2.130  -0.716   4.620
  237   2HG   ARG  31          1HG       ARG  31   0.831   0.252   5.320
  238   1HD   ARG  31          2HD       ARG  31   2.431   0.447   7.004
  239   2HD   ARG  31          1HD       ARG  31   1.603  -1.024   7.553
  240    HE   ARG  31           HE       ARG  31   3.711  -1.577   5.618
  241   1HH1  ARG  31          1HH1      ARG  31   2.570  -2.629   8.480
  242   2HH1  ARG  31          2HH1      ARG  31   4.093  -2.766   9.294
  243   1HH2  ARG  31          1HH2      ARG  31   5.855  -1.048   6.849
  244   2HH2  ARG  31          2HH2      ARG  31   5.954  -1.873   8.369
  245    H    CYS  32           H        CYS  32   0.138   0.489   3.300
  246    HA   CYS  32           HA       CYS  32   0.803  -0.250   0.593
  247   1HB   CYS  32          2HB       CYS  32   1.363   2.182   2.310
  248   2HB   CYS  32          1HB       CYS  32   1.636   2.118   0.567
  249    H    ARG  33           H        ARG  33   2.643  -1.343  -0.013
  250    HA   ARG  33           HA       ARG  33   5.248  -0.466   1.097
  251   1HB   ARG  33          2HB       ARG  33   4.573  -3.404   1.143
  252   2HB   ARG  33          1HB       ARG  33   5.829  -2.550   2.032
  253   1HG   ARG  33          2HG       ARG  33   4.085  -1.405   3.372
  254   2HG   ARG  33          1HG       ARG  33   2.844  -2.316   2.510
  255   1HD   ARG  33          2HD       ARG  33   4.542  -4.327   3.329
  256   2HD   ARG  33          1HD       ARG  33   4.619  -3.193   4.692
  257    HE   ARG  33           HE       ARG  33   1.899  -3.451   3.818
  258   1HH1  ARG  33          1HH1      ARG  33   2.930  -3.584   6.677
  259   2HH1  ARG  33          2HH1      ARG  33   2.518  -5.209   7.111
  260   1HH2  ARG  33          1HH2      ARG  33   1.998  -6.236   3.842
  261   2HH2  ARG  33          2HH2      ARG  33   1.990  -6.708   5.508
  Start of MODEL   15
    1   1H    GLY   1          1HT       GLY   1  -7.687  11.967  -8.309
    2   2H    GLY   1          2HT       GLY   1  -6.488  10.938  -7.686
    3   3H    GLY   1          3HT       GLY   1  -6.067  12.466  -8.295
    4   1HA   GLY   1          2HA       GLY   1  -7.294  13.552  -6.528
    5   2HA   GLY   1          1HA       GLY   1  -7.753  11.968  -5.900
    6    H    ASP   2           H        ASP   2  -6.469  11.225  -4.291
    7    HA   ASP   2           HA       ASP   2  -3.551  11.821  -4.364
    8   1HB   ASP   2          2HB       ASP   2  -3.667  12.663  -2.051
    9   2HB   ASP   2          1HB       ASP   2  -4.714  13.619  -3.101
   10    H    CYS   3           H        CYS   3  -3.382   9.495  -4.764
   11    HA   CYS   3           HA       CYS   3  -4.517   7.374  -3.363
   12   1HB   CYS   3          2HB       CYS   3  -2.242   6.285  -3.836
   13   2HB   CYS   3          1HB       CYS   3  -3.084   6.978  -5.221
   14    H    LEU   4           H        LEU   4  -3.188   5.946  -1.737
   15    HA   LEU   4           HA       LEU   4  -2.703   7.574   0.672
   16   1HB   LEU   4          2HB       LEU   4  -2.618   4.585   0.143
   17   2HB   LEU   4          1HB       LEU   4  -2.640   5.338   1.732
   18    HG   LEU   4           HG       LEU   4  -4.814   5.809  -0.313
   19   1HD1  LEU   4          1HD1      LEU   4  -5.987   3.964   0.439
   20   2HD1  LEU   4          2HD1      LEU   4  -5.195   3.973   2.014
   21   3HD1  LEU   4          3HD1      LEU   4  -4.343   3.346   0.604
   22   1HD2  LEU   4          1HD2      LEU   4  -4.403   7.353   1.712
   23   2HD2  LEU   4          2HD2      LEU   4  -4.944   5.993   2.697
   24   3HD2  LEU   4          3HD2      LEU   4  -6.033   6.710   1.509
   25    HA   PRO   5           HA       PRO   5   1.695   7.522   0.635
   26   1HB   PRO   5          2HB       PRO   5   2.300   6.757   3.197
   27   2HB   PRO   5          1HB       PRO   5   1.648   8.362   2.799
   28   1HG   PRO   5          2HG       PRO   5   0.193   5.921   3.735
   29   2HG   PRO   5          1HG       PRO   5   0.068   7.585   4.331
   30   1HD   PRO   5          2HD       PRO   5  -1.750   6.612   2.670
   31   2HD   PRO   5          1HD       PRO   5  -1.167   8.282   2.480
   32    H    HIS   6           H        HIS   6   3.603   6.017   0.884
   33    HA   HIS   6           HA       HIS   6   2.865   3.304   0.217
   34   1HB   HIS   6          2HB       HIS   6   4.497   4.343  -1.175
   35   2HB   HIS   6          1HB       HIS   6   5.393   4.939   0.221
   36    HD1  HIS   6           1HD      HIS   6   7.597   3.731  -0.201
   37    HD2  HIS   6           2HD      HIS   6   4.327   1.146  -0.159
   38    HE1  HIS   6           1HE      HIS   6   8.542   1.381  -0.211
   39    H    LEU   7           H        LEU   7   2.395   4.087   2.945
   40    HA   LEU   7           HA       LEU   7   3.780   1.961   4.286
   41   1HB   LEU   7          2HB       LEU   7   4.650   4.734   4.394
   42   2HB   LEU   7          1HB       LEU   7   4.345   4.070   5.999
   43    HG   LEU   7           HG       LEU   7   6.129   2.857   3.874
   44   1HD1  LEU   7          1HD1      LEU   7   7.946   3.535   5.197
   45   2HD1  LEU   7          2HD1      LEU   7   6.933   3.782   6.621
   46   3HD1  LEU   7          3HD1      LEU   7   6.858   4.922   5.277
   47   1HD2  LEU   7          1HD2      LEU   7   4.675   1.557   5.865
   48   2HD2  LEU   7          2HD2      LEU   7   6.270   1.774   6.584
   49   3HD2  LEU   7          3HD2      LEU   7   6.103   0.923   5.048
   50    H    LYS   8           H        LYS   8   0.970   3.248   3.770
   51    HA   LYS   8           HA       LYS   8   0.068   3.100   6.629
   52   1HB   LYS   8          2HB       LYS   8  -0.063   5.352   5.564
   53   2HB   LYS   8          1HB       LYS   8  -1.096   4.672   4.306
   54   1HG   LYS   8          2HG       LYS   8  -2.858   5.114   5.640
   55   2HG   LYS   8          1HG       LYS   8  -2.269   3.848   6.715
   56   1HD   LYS   8          2HD       LYS   8  -0.643   5.912   7.434
   57   2HD   LYS   8          1HD       LYS   8  -2.114   6.786   7.006
   58   1HE   LYS   8          2HE       LYS   8  -2.302   4.337   8.749
   59   2HE   LYS   8          1HE       LYS   8  -1.859   5.900   9.462
   60   1HZ   LYS   8          1HZ       LYS   8  -3.798   6.835   8.178
   61   2HZ   LYS   8          2HZ       LYS   8  -4.203   5.831   9.488
   62   3HZ   LYS   8          3HZ       LYS   8  -4.289   5.237   7.898
   63    H    ARG   9           H        ARG   9  -1.997   2.044   6.955
   64    HA   ARG   9           HA       ARG   9  -2.464  -0.336   5.576
   65   1HB   ARG   9          2HB       ARG   9  -3.515  -0.043   7.660
   66   2HB   ARG   9          1HB       ARG   9  -4.145   1.544   7.220
   67   1HG   ARG   9          2HG       ARG   9  -5.966   0.673   6.136
   68   2HG   ARG   9          1HG       ARG   9  -5.084  -0.748   5.575
   69   1HD   ARG   9          2HD       ARG   9  -5.659  -0.428   8.516
   70   2HD   ARG   9          1HD       ARG   9  -6.910  -1.067   7.430
   71    HE   ARG   9           HE       ARG   9  -4.401  -2.359   6.887
   72   1HH1  ARG   9          1HH2      ARG   9  -4.623  -2.427   9.922
   73   2HH1  ARG   9          2HH2      ARG   9  -5.447  -3.932  10.166
   74   1HH2  ARG   9          1HH1      ARG   9  -6.492  -4.198   6.870
   75   2HH2  ARG   9          2HH1      ARG   9  -6.507  -4.933   8.439
   76    H    CYS  10           H        CYS  10  -3.957  -0.937   3.903
   77    HA   CYS  10           HA       CYS  10  -5.151   1.318   2.343
   78   1HB   CYS  10          2HB       CYS  10  -4.361  -0.466   0.397
   79   2HB   CYS  10          1HB       CYS  10  -3.481   0.986   0.848
   80    H    LYS  11           H        LYS  11  -7.180   0.878   1.572
   81    HA   LYS  11           HA       LYS  11  -8.494  -1.603   2.428
   82   1HB   LYS  11          2HB       LYS  11  -9.578   0.586   2.604
   83   2HB   LYS  11          1HB       LYS  11  -9.386   0.846   0.870
   84   1HG   LYS  11          2HG       LYS  11 -11.193  -0.421   0.371
   85   2HG   LYS  11          1HG       LYS  11 -10.721  -1.685   1.508
   86   1HD   LYS  11          2HD       LYS  11 -12.594  -0.938   2.610
   87   2HD   LYS  11          1HD       LYS  11 -11.431   0.211   3.275
   88   1HE   LYS  11          2HE       LYS  11 -12.126   1.492   0.963
   89   2HE   LYS  11          1HE       LYS  11 -13.650   0.680   1.373
   90   1HZ   LYS  11          1HZ       LYS  11 -13.666   1.626   3.498
   91   2HZ   LYS  11          2HZ       LYS  11 -13.213   2.911   2.482
   92   3HZ   LYS  11          3HZ       LYS  11 -12.040   2.102   3.409
   93    H    ALA  12           H        ALA  12  -7.335  -0.161  -0.585
   94    HA   ALA  12           HA       ALA  12  -7.887  -2.756  -1.964
   95   1HB   ALA  12          1HB       ALA  12  -9.392  -0.444  -2.254
   96   2HB   ALA  12          2HB       ALA  12  -9.308  -1.754  -3.432
   97   3HB   ALA  12          3HB       ALA  12  -8.260  -0.346  -3.604
   98    H    ASP  13           H        ASP  13  -6.224  -3.364  -3.333
   99    HA   ASP  13           HA       ASP  13  -3.624  -2.508  -3.165
  100   1HB   ASP  13          2HB       ASP  13  -5.088  -3.382  -5.674
  101   2HB   ASP  13          1HB       ASP  13  -3.354  -3.557  -5.375
  102    H    ASN  14           H        ASN  14  -6.206  -0.971  -5.009
  103    HA   ASN  14           HA       ASN  14  -4.341   0.899  -6.336
  104   1HB   ASN  14          2HB       ASN  14  -7.242   0.174  -6.436
  105   2HB   ASN  14          1HB       ASN  14  -6.753   1.747  -7.068
  106   1HD2  ASN  14          1HD2      ASN  14  -4.472   1.397  -8.425
  107   2HD2  ASN  14          2HD2      ASN  14  -4.585   0.168  -9.591
  108    H    ASP  15           H        ASP  15  -4.731   0.981  -3.316
  109    HA   ASP  15           HA       ASP  15  -5.901   3.721  -3.093
  110   1HB   ASP  15          2HB       ASP  15  -6.260   1.343  -1.677
  111   2HB   ASP  15          1HB       ASP  15  -5.432   2.431  -0.580
  112    H    CYS  16           H        CYS  16  -2.997   1.898  -2.876
  113    HA   CYS  16           HA       CYS  16  -1.570   3.835  -1.142
  114   1HB   CYS  16          2HB       CYS  16  -0.750   1.387  -2.749
  115   2HB   CYS  16          1HB       CYS  16   0.314   2.261  -1.639
  116    H    CYS  17           H        CYS  17   0.220   5.101  -1.939
  117    HA   CYS  17           HA       CYS  17  -0.091   6.053  -4.692
  118   1HB   CYS  17          2HB       CYS  17   1.697   6.683  -2.339
  119   2HB   CYS  17          1HB       CYS  17   1.954   7.427  -3.918
  120    H    GLY  18           H        GLY  18   1.421   3.405  -3.270
  121   1HA   GLY  18          2HA       GLY  18   3.670   3.420  -5.226
  122   2HA   GLY  18          1HA       GLY  18   3.523   2.328  -3.844
  123    H    LYS  19           H        LYS  19   0.484   2.430  -4.962
  124    HA   LYS  19           HA       LYS  19  -0.815   0.955  -6.266
  125   1HB   LYS  19          2HB       LYS  19   1.578   1.722  -7.764
  126   2HB   LYS  19          1HB       LYS  19   0.980   0.137  -8.253
  127   1HG   LYS  19          2HG       LYS  19  -1.341   1.231  -8.375
  128   2HG   LYS  19          1HG       LYS  19  -0.491   2.775  -8.283
  129   1HD   LYS  19          2HD       LYS  19   0.310   2.603 -10.403
  130   2HD   LYS  19          1HD       LYS  19   0.635   0.877 -10.241
  131   1HE   LYS  19          2HE       LYS  19  -1.186   0.552 -11.563
  132   2HE   LYS  19          1HE       LYS  19  -2.162   1.063 -10.171
  133   1HZ   LYS  19          1HZ       LYS  19  -1.168   2.680 -12.427
  134   2HZ   LYS  19          2HZ       LYS  19  -1.487   3.417 -10.930
  135   3HZ   LYS  19          3HZ       LYS  19  -2.730   2.618 -11.767
  136    H    LYS  20           H        LYS  20   1.259   0.053  -4.146
  137    HA   LYS  20           HA       LYS  20   1.090  -2.846  -4.832
  138   1HB   LYS  20          2HB       LYS  20   3.402  -1.174  -4.824
  139   2HB   LYS  20          1HB       LYS  20   3.538  -2.281  -3.457
  140   1HG   LYS  20          2HG       LYS  20   3.226  -4.202  -4.894
  141   2HG   LYS  20          1HG       LYS  20   2.857  -3.165  -6.273
  142   1HD   LYS  20          2HD       LYS  20   5.135  -3.793  -6.561
  143   2HD   LYS  20          1HD       LYS  20   5.186  -2.146  -5.932
  144   1HE   LYS  20          2HE       LYS  20   5.515  -3.059  -3.631
  145   2HE   LYS  20          1HE       LYS  20   5.566  -4.694  -4.319
  146   1HZ   LYS  20          1HZ       LYS  20   7.753  -3.303  -4.061
  147   2HZ   LYS  20          2HZ       LYS  20   7.238  -2.602  -5.519
  148   3HZ   LYS  20          3HZ       LYS  20   7.508  -4.277  -5.428
  149    H    CYS  21           H        CYS  21  -0.763  -2.359  -3.163
  150    HA   CYS  21           HA       CYS  21   0.090  -1.955  -0.387
  151   1HB   CYS  21          2HB       CYS  21  -2.123  -1.230  -1.168
  152   2HB   CYS  21          1HB       CYS  21  -2.495  -2.864  -1.726
  153    H    LYS  22           H        LYS  22   0.715  -3.735   0.987
  154    HA   LYS  22           HA       LYS  22   0.422  -6.447  -0.264
  155   1HB   LYS  22          2HB       LYS  22   2.643  -4.953   0.593
  156   2HB   LYS  22          1HB       LYS  22   2.458  -6.252   1.772
  157   1HG   LYS  22          2HG       LYS  22   2.090  -7.724  -0.405
  158   2HG   LYS  22          1HG       LYS  22   3.008  -6.424  -1.165
  159   1HD   LYS  22          2HD       LYS  22   4.932  -6.893   0.028
  160   2HD   LYS  22          1HD       LYS  22   4.044  -7.559   1.399
  161   1HE   LYS  22          2HE       LYS  22   5.185  -9.380   0.203
  162   2HE   LYS  22          1HE       LYS  22   3.433  -9.540  -0.034
  163   1HZ   LYS  22          1HZ       LYS  22   4.072  -9.564  -2.201
  164   2HZ   LYS  22          2HZ       LYS  22   5.494  -8.679  -1.920
  165   3HZ   LYS  22          3HZ       LYS  22   3.995  -7.882  -2.003
  166    H    ARG  23           H        ARG  23  -0.889  -7.815   0.745
  167    HA   ARG  23           HA       ARG  23  -1.894  -7.482   3.472
  168   1HB   ARG  23          2HB       ARG  23  -3.413  -9.130   2.817
  169   2HB   ARG  23          1HB       ARG  23  -3.031  -8.355   1.286
  170   1HG   ARG  23          2HG       ARG  23  -2.554 -10.448   0.560
  171   2HG   ARG  23          1HG       ARG  23  -1.052 -10.260   1.468
  172   1HD   ARG  23          2HD       ARG  23  -1.935 -12.284   2.321
  173   2HD   ARG  23          1HD       ARG  23  -2.497 -11.090   3.507
  174    HE   ARG  23           HE       ARG  23  -4.492 -11.041   1.616
  175   1HH1  ARG  23          1HH2      ARG  23  -3.863 -12.763   4.345
  176   2HH1  ARG  23          2HH2      ARG  23  -4.799 -14.161   3.931
  177   1HH2  ARG  23          1HH1      ARG  23  -5.294 -13.184   0.643
  178   2HH2  ARG  23          2HH1      ARG  23  -5.609 -14.398   1.836
  179    H    ARG  24           H        ARG  24  -1.822  -9.622   4.868
  180    HA   ARG  24           HA       ARG  24   1.007 -10.325   5.220
  181   1HB   ARG  24          2HB       ARG  24   0.062 -11.651   7.120
  182   2HB   ARG  24          1HB       ARG  24  -0.498  -9.978   7.126
  183   1HG   ARG  24          2HG       ARG  24  -2.636 -10.567   6.313
  184   2HG   ARG  24          1HG       ARG  24  -2.083 -12.144   5.750
  185   1HD   ARG  24          2HD       ARG  24  -3.456 -12.144   7.927
  186   2HD   ARG  24          1HD       ARG  24  -1.889 -12.973   8.007
  187    HE   ARG  24           HE       ARG  24  -1.593 -10.169   8.631
  188   1HH1  ARG  24          1HH2      ARG  24  -1.108 -13.189   9.852
  189   2HH1  ARG  24          2HH2      ARG  24  -1.480 -12.809  11.501
  190   1HH2  ARG  24          1HH1      ARG  24  -2.748  -9.666  10.766
  191   2HH2  ARG  24          2HH1      ARG  24  -2.409 -10.813  12.018
  192    H    GLY  25           H        GLY  25   0.402 -11.135   2.701
  193   1HA   GLY  25          2HA       GLY  25   0.972 -13.933   2.693
  194   2HA   GLY  25          1HA       GLY  25  -0.739 -13.700   2.325
  195    H    THR  26           H        THR  26  -1.219 -12.146   0.498
  196    HA   THR  26           HA       THR  26   1.017 -11.737  -1.409
  197    HB   THR  26           HB       THR  26   0.168 -14.029  -1.777
  198    HG1  THR  26           1HG      THR  26   0.654 -12.369  -3.530
  199   1HG2  THR  26          1HG2      THR  26  -2.356 -13.578  -2.925
  200   2HG2  THR  26          2HG2      THR  26  -2.369 -12.679  -1.408
  201   3HG2  THR  26          3HG2      THR  26  -2.018 -14.408  -1.407
  202    H    ASN  27           H        ASN  27   0.368  -9.489  -0.804
  203    HA   ASN  27           HA       ASN  27  -0.881  -7.491  -1.058
  204   1HB   ASN  27          2HB       ASN  27  -1.277  -7.109  -3.500
  205   2HB   ASN  27          1HB       ASN  27   0.337  -7.704  -3.117
  206   1HD2  ASN  27          1HD2      ASN  27  -2.823  -8.678  -4.449
  207   2HD2  ASN  27          2HD2      ASN  27  -2.256 -10.085  -5.212
  208    H    ALA  28           H        ALA  28  -2.860  -7.199  -0.152
  209    HA   ALA  28           HA       ALA  28  -5.241  -7.919  -1.705
  210   1HB   ALA  28          1HB       ALA  28  -5.531  -9.898  -0.656
  211   2HB   ALA  28          2HB       ALA  28  -5.814  -8.992   0.829
  212   3HB   ALA  28          3HB       ALA  28  -4.193  -9.565   0.442
  213    H    GLU  29           H        GLU  29  -4.165  -6.927   1.564
  214    HA   GLU  29           HA       GLU  29  -5.366  -4.324   1.422
  215   1HB   GLU  29          2HB       GLU  29  -7.372  -5.912   1.310
  216   2HB   GLU  29          1HB       GLU  29  -7.004  -6.337   2.978
  217   1HG   GLU  29          2HG       GLU  29  -7.205  -3.965   3.629
  218   2HG   GLU  29          1HG       GLU  29  -7.589  -3.542   1.960
  219    H    LYS  30           H        LYS  30  -2.959  -4.765   2.521
  220    HA   LYS  30           HA       LYS  30  -3.417  -4.858   5.478
  221   1HB   LYS  30          2HB       LYS  30  -1.484  -6.035   3.714
  222   2HB   LYS  30          1HB       LYS  30  -0.743  -5.161   5.043
  223   1HG   LYS  30          2HG       LYS  30  -1.296  -7.627   5.490
  224   2HG   LYS  30          1HG       LYS  30  -1.858  -6.458   6.683
  225   1HD   LYS  30          2HD       LYS  30  -3.780  -6.858   4.512
  226   2HD   LYS  30          1HD       LYS  30  -3.440  -8.342   5.403
  227   1HE   LYS  30          2HE       LYS  30  -3.675  -6.554   7.466
  228   2HE   LYS  30          1HE       LYS  30  -4.845  -5.897   6.304
  229   1HZ   LYS  30          1HZ       LYS  30  -5.403  -7.939   7.913
  230   2HZ   LYS  30          2HZ       LYS  30  -4.793  -8.793   6.579
  231   3HZ   LYS  30          3HZ       LYS  30  -6.116  -7.744   6.387
  232    H    ARG  31           H        ARG  31  -0.518  -3.817   3.806
  233    HA   ARG  31           HA       ARG  31  -1.119  -0.965   4.460
  234   1HB   ARG  31          2HB       ARG  31   0.359  -2.665   6.087
  235   2HB   ARG  31          1HB       ARG  31   1.595  -1.805   5.169
  236   1HG   ARG  31          2HG       ARG  31   0.645   0.346   5.826
  237   2HG   ARG  31          1HG       ARG  31  -0.681  -0.467   6.660
  238   1HD   ARG  31          2HD       ARG  31   2.084  -1.268   7.452
  239   2HD   ARG  31          1HD       ARG  31   1.517   0.329   7.981
  240    HE   ARG  31           HE       ARG  31  -0.633  -1.104   8.645
  241   1HH1  ARG  31          1HH1      ARG  31   1.432  -0.625  10.758
  242   2HH1  ARG  31          2HH1      ARG  31   1.777  -2.232  11.302
  243   1HH2  ARG  31          1HH2      ARG  31   0.355  -3.758   8.530
  244   2HH2  ARG  31          2HH2      ARG  31   1.168  -4.007  10.040
  245    H    CYS  32           H        CYS  32  -0.050   0.492   3.113
  246    HA   CYS  32           HA       CYS  32   0.723  -0.310   0.506
  247   1HB   CYS  32          2HB       CYS  32   1.437   2.155   2.128
  248   2HB   CYS  32          1HB       CYS  32   1.507   2.037   0.365
  249    H    ARG  33           H        ARG  33   2.409  -1.851   0.386
  250    HA   ARG  33           HA       ARG  33   5.118  -0.835   0.901
  251   1HB   ARG  33          2HB       ARG  33   5.688  -2.500   2.558
  252   2HB   ARG  33          1HB       ARG  33   4.216  -1.697   3.104
  253   1HG   ARG  33          2HG       ARG  33   2.859  -3.539   2.193
  254   2HG   ARG  33          1HG       ARG  33   4.322  -4.340   1.619
  255   1HD   ARG  33          2HD       ARG  33   4.364  -5.387   3.642
  256   2HD   ARG  33          1HD       ARG  33   4.852  -3.820   4.319
  257    HE   ARG  33           HE       ARG  33   2.302  -3.353   4.405
  258   1HH1  ARG  33          1HH1      ARG  33   2.854  -6.562   3.658
  259   2HH1  ARG  33          2HH1      ARG  33   1.949  -7.217   4.981
  260   1HH2  ARG  33          1HH2      ARG  33   1.505  -4.152   6.542
  261   2HH2  ARG  33          2HH2      ARG  33   1.186  -5.853   6.615
  Start of MODEL   16
    1   1H    GLY   1          1HT       GLY   1  -2.455  14.316  -7.106
    2   2H    GLY   1          2HT       GLY   1  -3.060  14.196  -5.523
    3   3H    GLY   1          3HT       GLY   1  -3.834  15.196  -6.658
    4   1HA   GLY   1          2HA       GLY   1  -4.971  13.525  -7.585
    5   2HA   GLY   1          1HA       GLY   1  -3.585  12.438  -7.478
    6    H    ASP   2           H        ASP   2  -4.822  10.721  -6.584
    7    HA   ASP   2           HA       ASP   2  -5.540  11.121  -3.706
    8   1HB   ASP   2          2HB       ASP   2  -7.163   9.905  -5.958
    9   2HB   ASP   2          1HB       ASP   2  -7.545   9.622  -4.259
   10    H    CYS   3           H        CYS   3  -4.356   9.641  -2.546
   11    HA   CYS   3           HA       CYS   3  -4.292   6.827  -3.207
   12   1HB   CYS   3          2HB       CYS   3  -2.026   6.667  -4.014
   13   2HB   CYS   3          1HB       CYS   3  -2.817   7.931  -4.960
   14    H    LEU   4           H        LEU   4  -3.017   5.606  -1.602
   15    HA   LEU   4           HA       LEU   4  -2.681   7.116   0.927
   16   1HB   LEU   4          2HB       LEU   4  -2.361   4.144   0.402
   17   2HB   LEU   4          1HB       LEU   4  -2.703   4.926   1.938
   18    HG   LEU   4           HG       LEU   4  -4.539   4.513  -0.407
   19   1HD1  LEU   4          1HD1      LEU   4  -5.456   3.031   1.006
   20   2HD1  LEU   4          2HD1      LEU   4  -5.720   4.304   2.195
   21   3HD1  LEU   4          3HD1      LEU   4  -4.202   3.404   2.189
   22   1HD2  LEU   4          1HD2      LEU   4  -5.152   6.709  -0.130
   23   2HD2  LEU   4          2HD2      LEU   4  -4.475   6.799   1.496
   24   3HD2  LEU   4          3HD2      LEU   4  -6.048   6.044   1.238
   25    HA   PRO   5           HA       PRO   5   1.695   7.295   0.784
   26   1HB   PRO   5          2HB       PRO   5   2.413   6.481   3.300
   27   2HB   PRO   5          1HB       PRO   5   1.648   8.053   2.979
   28   1HG   PRO   5          2HG       PRO   5   0.381   5.490   3.846
   29   2HG   PRO   5          1HG       PRO   5   0.162   7.115   4.515
   30   1HD   PRO   5          2HD       PRO   5  -1.630   6.086   2.862
   31   2HD   PRO   5          1HD       PRO   5  -1.168   7.800   2.729
   32    H    HIS   6           H        HIS   6   3.725   5.824   1.473
   33    HA   HIS   6           HA       HIS   6   3.231   3.204   0.347
   34   1HB   HIS   6          2HB       HIS   6   5.034   4.407  -0.619
   35   2HB   HIS   6          1HB       HIS   6   5.630   4.906   0.961
   36    HD1  HIS   6           1HD      HIS   6   7.858   3.798   1.187
   37    HD2  HIS   6           2HD      HIS   6   4.969   1.174  -0.277
   38    HE1  HIS   6           1HE      HIS   6   8.962   1.522   1.052
   39    H    LEU   7           H        LEU   7   2.410   3.843   3.117
   40    HA   LEU   7           HA       LEU   7   3.457   1.472   4.356
   41   1HB   LEU   7          2HB       LEU   7   4.547   4.123   4.870
   42   2HB   LEU   7          1HB       LEU   7   4.070   3.280   6.347
   43    HG   LEU   7           HG       LEU   7   5.424   1.517   4.458
   44   1HD1  LEU   7          1HD1      LEU   7   6.911   3.111   3.753
   45   2HD1  LEU   7          2HD1      LEU   7   7.673   2.736   5.299
   46   3HD1  LEU   7          3HD1      LEU   7   6.625   4.147   5.151
   47   1HD2  LEU   7          1HD2      LEU   7   5.413   2.220   7.350
   48   2HD2  LEU   7          2HD2      LEU   7   6.890   1.489   6.721
   49   3HD2  LEU   7          3HD2      LEU   7   5.354   0.636   6.577
   50    H    LYS   8           H        LYS   8   0.954   3.750   4.122
   51    HA   LYS   8           HA       LYS   8  -0.129   3.166   6.816
   52   1HB   LYS   8          2HB       LYS   8  -0.309   5.430   5.865
   53   2HB   LYS   8          1HB       LYS   8  -1.169   4.784   4.467
   54   1HG   LYS   8          2HG       LYS   8  -2.803   5.683   6.022
   55   2HG   LYS   8          1HG       LYS   8  -2.941   3.925   6.013
   56   1HD   LYS   8          2HD       LYS   8  -2.961   4.477   8.309
   57   2HD   LYS   8          1HD       LYS   8  -1.294   3.982   8.009
   58   1HE   LYS   8          2HE       LYS   8  -0.668   5.991   8.865
   59   2HE   LYS   8          1HE       LYS   8  -1.348   6.730   7.401
   60   1HZ   LYS   8          1HZ       LYS   8  -3.409   7.027   8.408
   61   2HZ   LYS   8          2HZ       LYS   8  -2.319   7.439   9.646
   62   3HZ   LYS   8          3HZ       LYS   8  -3.083   5.921   9.652
   63    H    ARG   9           H        ARG   9  -2.233   2.128   7.057
   64    HA   ARG   9           HA       ARG   9  -2.601  -0.239   5.601
   65   1HB   ARG   9          2HB       ARG   9  -3.624   0.167   7.762
   66   2HB   ARG   9          1HB       ARG   9  -4.543   1.529   7.119
   67   1HG   ARG   9          2HG       ARG   9  -6.161  -0.123   7.017
   68   2HG   ARG   9          1HG       ARG   9  -5.429  -0.319   5.424
   69   1HD   ARG   9          2HD       ARG   9  -3.792  -1.947   6.784
   70   2HD   ARG   9          1HD       ARG   9  -5.222  -2.083   7.829
   71    HE   ARG   9           HE       ARG   9  -5.116  -2.828   4.952
   72   1HH1  ARG   9          1HH1      ARG   9  -5.903  -4.881   6.884
   73   2HH1  ARG   9          2HH1      ARG   9  -7.634  -4.816   6.859
   74   1HH2  ARG   9          1HH2      ARG   9  -7.759  -1.694   5.353
   75   2HH2  ARG   9          2HH2      ARG   9  -8.684  -3.012   5.991
   76    H    CYS  10           H        CYS  10  -3.963  -0.781   3.814
   77    HA   CYS  10           HA       CYS  10  -5.013   1.571   2.270
   78   1HB   CYS  10          2HB       CYS  10  -4.146   0.493   0.289
   79   2HB   CYS  10          1HB       CYS  10  -2.858   0.498   1.494
   80    H    LYS  11           H        LYS  11  -7.078   1.344   1.464
   81    HA   LYS  11           HA       LYS  11  -8.655  -0.999   2.281
   82   1HB   LYS  11          2HB       LYS  11  -9.540   1.282   2.445
   83   2HB   LYS  11          1HB       LYS  11  -9.280   1.530   0.717
   84   1HG   LYS  11          2HG       LYS  11 -11.563   0.968   0.835
   85   2HG   LYS  11          1HG       LYS  11 -10.794  -0.564   0.417
   86   1HD   LYS  11          2HD       LYS  11 -10.936  -1.367   2.655
   87   2HD   LYS  11          1HD       LYS  11 -11.321   0.236   3.284
   88   1HE   LYS  11          2HE       LYS  11 -13.204  -0.713   1.218
   89   2HE   LYS  11          1HE       LYS  11 -13.211  -1.673   2.711
   90   1HZ   LYS  11          1HZ       LYS  11 -13.511   1.271   2.463
   91   2HZ   LYS  11          2HZ       LYS  11 -13.245   0.479   3.943
   92   3HZ   LYS  11          3HZ       LYS  11 -14.659   0.170   3.051
   93    H    ALA  12           H        ALA  12  -6.934   0.085  -0.511
   94    HA   ALA  12           HA       ALA  12  -7.888  -2.294  -2.029
   95   1HB   ALA  12          1HB       ALA  12  -9.286  -0.308  -2.615
   96   2HB   ALA  12          2HB       ALA  12  -8.337  -0.884  -3.986
   97   3HB   ALA  12          3HB       ALA  12  -7.820   0.548  -3.096
   98    H    ASP  13           H        ASP  13  -6.250  -3.149  -3.346
   99    HA   ASP  13           HA       ASP  13  -3.564  -2.804  -2.808
  100   1HB   ASP  13          2HB       ASP  13  -5.162  -3.667  -5.192
  101   2HB   ASP  13          1HB       ASP  13  -3.402  -3.577  -5.336
  102    H    ASN  14           H        ASN  14  -5.500  -0.958  -5.157
  103    HA   ASN  14           HA       ASN  14  -3.141   0.574  -6.032
  104   1HB   ASN  14          2HB       ASN  14  -4.431   0.807  -7.871
  105   2HB   ASN  14          1HB       ASN  14  -5.616  -0.227  -7.084
  106   1HD2  ASN  14          1HD2      ASN  14  -7.385   0.879  -5.861
  107   2HD2  ASN  14          2HD2      ASN  14  -7.813   2.473  -6.261
  108    H    ASP  15           H        ASP  15  -5.710   0.933  -3.694
  109    HA   ASP  15           HA       ASP  15  -6.119   3.633  -3.405
  110   1HB   ASP  15          2HB       ASP  15  -6.254   1.316  -1.850
  111   2HB   ASP  15          1HB       ASP  15  -5.475   2.531  -0.840
  112    H    CYS  16           H        CYS  16  -3.144   1.902  -2.702
  113    HA   CYS  16           HA       CYS  16  -1.785   4.104  -1.321
  114   1HB   CYS  16          2HB       CYS  16  -0.770   1.616  -2.757
  115   2HB   CYS  16          1HB       CYS  16   0.113   2.554  -1.545
  116    H    CYS  17           H        CYS  17   0.133   5.193  -2.274
  117    HA   CYS  17           HA       CYS  17  -0.312   6.029  -5.043
  118   1HB   CYS  17          2HB       CYS  17   0.994   6.969  -2.699
  119   2HB   CYS  17          1HB       CYS  17   2.168   6.877  -4.011
  120    H    GLY  18           H        GLY  18   1.419   3.537  -3.448
  121   1HA   GLY  18          2HA       GLY  18   3.445   3.279  -5.579
  122   2HA   GLY  18          1HA       GLY  18   3.251   2.200  -4.191
  123    H    LYS  19           H        LYS  19   0.208   2.490  -5.085
  124    HA   LYS  19           HA       LYS  19  -1.295   1.139  -6.279
  125   1HB   LYS  19          2HB       LYS  19   1.068   0.962  -8.180
  126   2HB   LYS  19          1HB       LYS  19  -0.629   0.715  -8.596
  127   1HG   LYS  19          2HG       LYS  19  -0.953   3.125  -7.632
  128   2HG   LYS  19          1HG       LYS  19   0.786   3.273  -7.886
  129   1HD   LYS  19          2HD       LYS  19  -0.982   2.238 -10.090
  130   2HD   LYS  19          1HD       LYS  19  -0.827   3.972  -9.818
  131   1HE   LYS  19          2HE       LYS  19   1.511   2.080 -10.268
  132   2HE   LYS  19          1HE       LYS  19   0.838   3.181 -11.486
  133   1HZ   LYS  19          1HZ       LYS  19   1.098   4.872  -9.497
  134   2HZ   LYS  19          2HZ       LYS  19   2.379   4.560 -10.569
  135   3HZ   LYS  19          3HZ       LYS  19   2.335   3.801  -9.049
  136    H    LYS  20           H        LYS  20   1.041   0.024  -4.522
  137    HA   LYS  20           HA       LYS  20   0.458  -2.821  -5.158
  138   1HB   LYS  20          2HB       LYS  20   2.832  -1.467  -5.845
  139   2HB   LYS  20          1HB       LYS  20   3.237  -2.432  -4.424
  140   1HG   LYS  20          2HG       LYS  20   2.002  -4.360  -5.634
  141   2HG   LYS  20          1HG       LYS  20   2.164  -3.367  -7.082
  142   1HD   LYS  20          2HD       LYS  20   4.189  -4.375  -7.291
  143   2HD   LYS  20          1HD       LYS  20   4.698  -3.238  -6.042
  144   1HE   LYS  20          2HE       LYS  20   3.763  -5.069  -4.388
  145   2HE   LYS  20          1HE       LYS  20   4.010  -6.150  -5.774
  146   1HZ   LYS  20          1HZ       LYS  20   6.115  -4.214  -5.161
  147   2HZ   LYS  20          2HZ       LYS  20   6.240  -5.785  -5.797
  148   3HZ   LYS  20          3HZ       LYS  20   5.974  -5.557  -4.135
  149    H    CYS  21           H        CYS  21  -0.840  -2.604  -3.176
  150    HA   CYS  21           HA       CYS  21   0.480  -1.913  -0.663
  151   1HB   CYS  21          2HB       CYS  21  -1.992  -1.689  -1.406
  152   2HB   CYS  21          1HB       CYS  21  -2.123  -3.410  -1.032
  153    H    LYS  22           H        LYS  22   0.165  -3.809   1.162
  154    HA   LYS  22           HA       LYS  22   0.765  -6.478  -0.044
  155   1HB   LYS  22          2HB       LYS  22   2.853  -5.078   0.311
  156   2HB   LYS  22          1HB       LYS  22   2.514  -5.159   2.041
  157   1HG   LYS  22          2HG       LYS  22   3.000  -7.408   2.180
  158   2HG   LYS  22          1HG       LYS  22   2.520  -7.723   0.512
  159   1HD   LYS  22          2HD       LYS  22   4.548  -6.579  -0.297
  160   2HD   LYS  22          1HD       LYS  22   5.030  -6.251   1.367
  161   1HE   LYS  22          2HE       LYS  22   5.283  -8.613   1.839
  162   2HE   LYS  22          1HE       LYS  22   4.579  -9.047   0.269
  163   1HZ   LYS  22          1HZ       LYS  22   6.988  -7.341   0.585
  164   2HZ   LYS  22          2HZ       LYS  22   6.358  -7.969  -0.862
  165   3HZ   LYS  22          3HZ       LYS  22   7.056  -9.010   0.285
  166    H    ARG  23           H        ARG  23  -0.636  -7.842   0.962
  167    HA   ARG  23           HA       ARG  23  -1.845  -7.362   3.558
  168   1HB   ARG  23          2HB       ARG  23  -2.329  -8.863   1.260
  169   2HB   ARG  23          1HB       ARG  23  -1.986 -10.066   2.501
  170   1HG   ARG  23          2HG       ARG  23  -3.595  -8.733   4.003
  171   2HG   ARG  23          1HG       ARG  23  -4.122  -7.932   2.524
  172   1HD   ARG  23          2HD       ARG  23  -4.114 -10.650   1.854
  173   2HD   ARG  23          1HD       ARG  23  -4.790 -10.594   3.495
  174    HE   ARG  23           HE       ARG  23  -5.799  -8.763   1.354
  175   1HH1  ARG  23          1HH1      ARG  23  -6.748  -8.723   4.263
  176   2HH1  ARG  23          2HH1      ARG  23  -8.234  -9.604   4.134
  177   1HH2  ARG  23          1HH2      ARG  23  -7.497 -10.911   1.008
  178   2HH2  ARG  23          2HH2      ARG  23  -8.658 -10.841   2.293
  179    H    ARG  24           H        ARG  24  -1.707  -9.112   5.290
  180    HA   ARG  24           HA       ARG  24   1.111  -9.714   5.877
  181   1HB   ARG  24          2HB       ARG  24  -0.634  -8.874   7.510
  182   2HB   ARG  24          1HB       ARG  24  -1.418 -10.449   7.384
  183   1HG   ARG  24          2HG       ARG  24   0.097 -10.344   9.342
  184   2HG   ARG  24          1HG       ARG  24   0.631 -11.552   8.173
  185   1HD   ARG  24          2HD       ARG  24   2.616 -10.489   7.946
  186   2HD   ARG  24          1HD       ARG  24   1.788  -8.982   7.508
  187    HE   ARG  24           HE       ARG  24   2.693  -9.725  10.208
  188   1HH1  ARG  24          1HH1      ARG  24   2.757  -6.994   8.758
  189   2HH1  ARG  24          2HH1      ARG  24   1.612  -6.109   9.711
  190   1HH2  ARG  24          1HH2      ARG  24   0.293  -8.931  11.232
  191   2HH2  ARG  24          2HH2      ARG  24   0.218  -7.205  11.110
  192    H    GLY  25           H        GLY  25   0.555 -11.125   3.627
  193   1HA   GLY  25          2HA       GLY  25   0.920 -13.872   4.472
  194   2HA   GLY  25          1HA       GLY  25  -0.665 -13.627   3.736
  195    H    THR  26           H        THR  26  -0.647 -12.583   1.534
  196    HA   THR  26           HA       THR  26   1.899 -12.975   0.038
  197    HB   THR  26           HB       THR  26   0.495 -15.078   0.076
  198    HG1  THR  26           1HG      THR  26   0.467 -14.067  -2.530
  199   1HG2  THR  26          1HG2      THR  26  -1.406 -14.237  -1.902
  200   2HG2  THR  26          2HG2      THR  26  -1.558 -13.200  -0.483
  201   3HG2  THR  26          3HG2      THR  26  -1.711 -14.950  -0.318
  202    H    ASN  27           H        ASN  27   0.901 -10.491   0.612
  203    HA   ASN  27           HA       ASN  27   0.267  -8.471  -0.450
  204   1HB   ASN  27          2HB       ASN  27   1.829  -9.600  -2.126
  205   2HB   ASN  27          1HB       ASN  27   0.371 -10.129  -2.967
  206   1HD2  ASN  27          1HD2      ASN  27  -1.293  -8.130  -3.212
  207   2HD2  ASN  27          2HD2      ASN  27  -0.585  -6.701  -3.792
  208    H    ALA  28           H        ALA  28  -1.804  -7.634  -0.506
  209    HA   ALA  28           HA       ALA  28  -3.874  -8.455  -2.238
  210   1HB   ALA  28          1HB       ALA  28  -3.479 -10.075   0.210
  211   2HB   ALA  28          2HB       ALA  28  -4.191 -10.533  -1.337
  212   3HB   ALA  28          3HB       ALA  28  -5.148  -9.640  -0.156
  213    H    GLU  29           H        GLU  29  -3.167  -7.284   1.052
  214    HA   GLU  29           HA       GLU  29  -4.400  -4.773   0.771
  215   1HB   GLU  29          2HB       GLU  29  -6.265  -6.963   0.822
  216   2HB   GLU  29          1HB       GLU  29  -6.530  -5.939   2.233
  217   1HG   GLU  29          2HG       GLU  29  -6.677  -3.957   0.797
  218   2HG   GLU  29          1HG       GLU  29  -6.361  -4.949  -0.627
  219    H    LYS  30           H        LYS  30  -2.777  -4.213   2.316
  220    HA   LYS  30           HA       LYS  30  -3.657  -4.509   5.093
  221   1HB   LYS  30          2HB       LYS  30  -1.371  -5.898   3.951
  222   2HB   LYS  30          1HB       LYS  30  -1.061  -5.068   5.465
  223   1HG   LYS  30          2HG       LYS  30  -3.199  -7.151   4.948
  224   2HG   LYS  30          1HG       LYS  30  -1.790  -7.319   5.995
  225   1HD   LYS  30          2HD       LYS  30  -2.898  -5.068   7.036
  226   2HD   LYS  30          1HD       LYS  30  -4.348  -5.907   6.482
  227   1HE   LYS  30          2HE       LYS  30  -3.935  -7.787   7.866
  228   2HE   LYS  30          1HE       LYS  30  -2.234  -7.344   8.104
  229   1HZ   LYS  30          1HZ       LYS  30  -2.767  -5.943   9.735
  230   2HZ   LYS  30          2HZ       LYS  30  -4.317  -6.637   9.733
  231   3HZ   LYS  30          3HZ       LYS  30  -4.015  -5.228   8.834
  232    H    ARG  31           H        ARG  31  -0.376  -3.811   4.111
  233    HA   ARG  31           HA       ARG  31  -0.886  -0.906   4.686
  234   1HB   ARG  31          2HB       ARG  31   0.558  -2.632   6.187
  235   2HB   ARG  31          1HB       ARG  31   1.810  -2.110   5.059
  236   1HG   ARG  31          2HG       ARG  31   2.048  -0.397   6.557
  237   2HG   ARG  31          1HG       ARG  31   0.699   0.286   5.647
  238   1HD   ARG  31          2HD       ARG  31   0.040   0.420   7.948
  239   2HD   ARG  31          1HD       ARG  31  -0.829  -0.988   7.305
  240    HE   ARG  31           HE       ARG  31   0.818  -2.437   8.374
  241   1HH1  ARG  31          1HH1      ARG  31  -0.011  -0.180  10.394
  242   2HH1  ARG  31          2HH1      ARG  31   1.523   0.108  11.145
  243   1HH2  ARG  31          1HH2      ARG  31   3.325  -1.596   8.723
  244   2HH2  ARG  31          2HH2      ARG  31   3.411  -0.693  10.198
  245    H    CYS  32           H        CYS  32  -0.116   0.530   3.134
  246    HA   CYS  32           HA       CYS  32   0.497  -0.320   0.503
  247   1HB   CYS  32          2HB       CYS  32   1.278   2.211   1.991
  248   2HB   CYS  32          1HB       CYS  32   1.250   2.037   0.235
  249    H    ARG  33           H        ARG  33   2.351  -1.237  -0.333
  250    HA   ARG  33           HA       ARG  33   4.955  -0.618   1.015
  251   1HB   ARG  33          2HB       ARG  33   4.202  -3.374   0.029
  252   2HB   ARG  33          1HB       ARG  33   5.484  -2.928   1.155
  253   1HG   ARG  33          2HG       ARG  33   3.307  -1.963   2.476
  254   2HG   ARG  33          1HG       ARG  33   2.599  -3.350   1.651
  255   1HD   ARG  33          2HD       ARG  33   4.444  -4.780   2.572
  256   2HD   ARG  33          1HD       ARG  33   5.004  -3.378   3.506
  257    HE   ARG  33           HE       ARG  33   2.244  -3.584   4.008
  258   1HH1  ARG  33          1HH1      ARG  33   5.269  -4.879   4.899
  259   2HH1  ARG  33          2HH1      ARG  33   4.625  -5.969   6.082
  260   1HH2  ARG  33          1HH2      ARG  33   1.318  -5.248   5.326
  261   2HH2  ARG  33          2HH2      ARG  33   2.386  -6.177   6.324
  Start of MODEL   17
    1   1H    GLY   1          1HT       GLY   1  -0.045  13.061  -6.624
    2   2H    GLY   1          2HT       GLY   1  -0.613  11.461  -6.690
    3   3H    GLY   1          3HT       GLY   1  -0.833  12.386  -5.281
    4   1HA   GLY   1          2HA       GLY   1  -2.031  13.952  -7.087
    5   2HA   GLY   1          1HA       GLY   1  -2.372  12.345  -7.731
    6    H    ASP   2           H        ASP   2  -3.537  10.839  -6.381
    7    HA   ASP   2           HA       ASP   2  -4.730  11.931  -3.880
    8   1HB   ASP   2          2HB       ASP   2  -5.983  11.698  -6.506
    9   2HB   ASP   2          1HB       ASP   2  -6.865  10.783  -5.283
   10    H    CYS   3           H        CYS   3  -2.993  10.019  -3.521
   11    HA   CYS   3           HA       CYS   3  -4.588   7.493  -3.296
   12   1HB   CYS   3          2HB       CYS   3  -2.322   6.380  -3.794
   13   2HB   CYS   3          1HB       CYS   3  -3.148   7.147  -5.150
   14    H    LEU   4           H        LEU   4  -3.272   5.938  -1.737
   15    HA   LEU   4           HA       LEU   4  -2.806   7.451   0.750
   16   1HB   LEU   4          2HB       LEU   4  -2.784   4.487   0.080
   17   2HB   LEU   4          1HB       LEU   4  -2.731   5.151   1.708
   18    HG   LEU   4           HG       LEU   4  -4.967   5.673  -0.270
   19   1HD1  LEU   4          1HD1      LEU   4  -4.553   3.254   0.726
   20   2HD1  LEU   4          2HD1      LEU   4  -6.179   3.933   0.693
   21   3HD1  LEU   4          3HD1      LEU   4  -5.240   3.967   2.184
   22   1HD2  LEU   4          1HD2      LEU   4  -5.459   7.308   1.212
   23   2HD2  LEU   4          2HD2      LEU   4  -4.211   6.754   2.329
   24   3HD2  LEU   4          3HD2      LEU   4  -5.819   6.029   2.372
   25    HA   PRO   5           HA       PRO   5   1.578   7.424   0.726
   26   1HB   PRO   5          2HB       PRO   5   2.164   6.610   3.279
   27   2HB   PRO   5          1HB       PRO   5   1.505   8.219   2.905
   28   1HG   PRO   5          2HG       PRO   5   0.056   5.750   3.773
   29   2HG   PRO   5          1HG       PRO   5  -0.085   7.399   4.406
   30   1HD   PRO   5          2HD       PRO   5  -1.882   6.456   2.705
   31   2HD   PRO   5          1HD       PRO   5  -1.301   8.133   2.554
   32    H    HIS   6           H        HIS   6   3.488   5.933   0.934
   33    HA   HIS   6           HA       HIS   6   2.765   3.229   0.217
   34   1HB   HIS   6          2HB       HIS   6   4.364   4.378  -1.156
   35   2HB   HIS   6          1HB       HIS   6   5.313   4.839   0.255
   36    HD1  HIS   6           1HD      HIS   6   7.458   3.606  -0.377
   37    HD2  HIS   6           2HD      HIS   6   4.115   1.116  -0.313
   38    HE1  HIS   6           1HE      HIS   6   8.328   1.234  -0.547
   39    H    LEU   7           H        LEU   7   2.367   3.977   2.984
   40    HA   LEU   7           HA       LEU   7   3.758   1.797   4.229
   41   1HB   LEU   7          2HB       LEU   7   4.595   4.609   4.502
   42   2HB   LEU   7          1HB       LEU   7   4.465   3.733   6.026
   43    HG   LEU   7           HG       LEU   7   6.167   3.013   3.625
   44   1HD1  LEU   7          1HD1      LEU   7   7.798   3.992   4.816
   45   2HD1  LEU   7          2HD1      LEU   7   7.463   2.927   6.181
   46   3HD1  LEU   7          3HD1      LEU   7   6.608   4.463   6.030
   47   1HD2  LEU   7          1HD2      LEU   7   5.591   0.869   4.230
   48   2HD2  LEU   7          2HD2      LEU   7   5.101   1.350   5.853
   49   3HD2  LEU   7          3HD2      LEU   7   6.811   1.148   5.474
   50    H    LYS   8           H        LYS   8   0.962   3.104   3.813
   51    HA   LYS   8           HA       LYS   8   0.120   2.885   6.687
   52   1HB   LYS   8          2HB       LYS   8   0.060   5.177   5.580
   53   2HB   LYS   8          1HB       LYS   8  -1.176   4.534   4.499
   54   1HG   LYS   8          2HG       LYS   8  -2.777   4.690   6.082
   55   2HG   LYS   8          1HG       LYS   8  -1.746   3.941   7.302
   56   1HD   LYS   8          2HD       LYS   8  -1.115   6.738   6.455
   57   2HD   LYS   8          1HD       LYS   8  -2.498   6.485   7.521
   58   1HE   LYS   8          2HE       LYS   8  -1.172   5.645   9.259
   59   2HE   LYS   8          1HE       LYS   8   0.141   5.178   8.160
   60   1HZ   LYS   8          1HZ       LYS   8   0.741   7.396   7.814
   61   2HZ   LYS   8          2HZ       LYS   8   0.456   7.314   9.487
   62   3HZ   LYS   8          3HZ       LYS   8  -0.711   7.996   8.457
   63    H    ARG   9           H        ARG   9  -2.050   1.952   6.973
   64    HA   ARG   9           HA       ARG   9  -2.556  -0.389   5.516
   65   1HB   ARG   9          2HB       ARG   9  -3.476   0.321   7.752
   66   2HB   ARG   9          1HB       ARG   9  -4.592   1.386   6.896
   67   1HG   ARG   9          2HG       ARG   9  -6.000  -0.353   6.653
   68   2HG   ARG   9          1HG       ARG   9  -4.790  -1.145   5.642
   69   1HD   ARG   9          2HD       ARG   9  -3.782  -2.217   7.582
   70   2HD   ARG   9          1HD       ARG   9  -4.850  -1.316   8.676
   71    HE   ARG   9           HE       ARG   9  -6.002  -3.121   6.589
   72   1HH1  ARG   9          1HH1      ARG   9  -5.164  -2.715   9.868
   73   2HH1  ARG   9          2HH1      ARG   9  -6.626  -3.410  10.485
   74   1HH2  ARG   9          1HH2      ARG   9  -8.100  -3.741   7.364
   75   2HH2  ARG   9          2HH2      ARG   9  -8.287  -3.990   9.068
   76    H    CYS  10           H        CYS  10  -4.122  -0.878   3.841
   77    HA   CYS  10           HA       CYS  10  -5.132   1.504   2.329
   78   1HB   CYS  10          2HB       CYS  10  -4.285   0.531   0.297
   79   2HB   CYS  10          1HB       CYS  10  -2.968   0.487   1.467
   80    H    LYS  11           H        LYS  11  -7.221   1.263   1.606
   81    HA   LYS  11           HA       LYS  11  -8.702  -1.170   2.354
   82   1HB   LYS  11          2HB       LYS  11  -9.200   1.628   1.575
   83   2HB   LYS  11          1HB       LYS  11 -10.392   0.495   0.936
   84   1HG   LYS  11          2HG       LYS  11 -11.200   1.180   3.088
   85   2HG   LYS  11          1HG       LYS  11 -10.574  -0.457   3.289
   86   1HD   LYS  11          2HD       LYS  11  -8.709   0.250   4.474
   87   2HD   LYS  11          1HD       LYS  11  -8.717   1.851   3.731
   88   1HE   LYS  11          2HE       LYS  11  -9.444   1.998   6.091
   89   2HE   LYS  11          1HE       LYS  11 -10.799   2.396   5.015
   90   1HZ   LYS  11          1HZ       LYS  11 -11.851   0.468   5.468
   91   2HZ   LYS  11          2HZ       LYS  11 -10.941   0.517   6.902
   92   3HZ   LYS  11          3HZ       LYS  11 -10.416  -0.426   5.590
   93    H    ALA  12           H        ALA  12  -6.901  -0.131  -0.314
   94    HA   ALA  12           HA       ALA  12  -7.935  -2.337  -1.977
   95   1HB   ALA  12          1HB       ALA  12  -7.989  -0.354  -3.830
   96   2HB   ALA  12          2HB       ALA  12  -8.449   0.563  -2.396
   97   3HB   ALA  12          3HB       ALA  12  -9.408  -0.828  -2.899
   98    H    ASP  13           H        ASP  13  -6.191  -3.247  -2.981
   99    HA   ASP  13           HA       ASP  13  -3.540  -2.690  -2.623
  100   1HB   ASP  13          2HB       ASP  13  -4.806  -3.542  -5.245
  101   2HB   ASP  13          1HB       ASP  13  -3.178  -3.942  -4.688
  102    H    ASN  14           H        ASN  14  -5.679  -1.008  -4.909
  103    HA   ASN  14           HA       ASN  14  -3.415   0.524  -6.036
  104   1HB   ASN  14          2HB       ASN  14  -5.153   1.385  -7.533
  105   2HB   ASN  14          1HB       ASN  14  -5.290  -0.368  -7.404
  106   1HD2  ASN  14          1HD2      ASN  14  -7.002   2.590  -6.992
  107   2HD2  ASN  14          2HD2      ASN  14  -8.377   1.948  -6.233
  108    H    ASP  15           H        ASP  15  -5.500   0.859  -3.347
  109    HA   ASP  15           HA       ASP  15  -5.993   3.671  -3.357
  110   1HB   ASP  15          2HB       ASP  15  -6.372   1.447  -1.703
  111   2HB   ASP  15          1HB       ASP  15  -5.567   2.659  -0.717
  112    H    CYS  16           H        CYS  16  -3.110   1.851  -2.786
  113    HA   CYS  16           HA       CYS  16  -1.704   3.875  -1.196
  114   1HB   CYS  16          2HB       CYS  16  -0.795   1.449  -2.788
  115   2HB   CYS  16          1HB       CYS  16   0.177   2.311  -1.587
  116    H    CYS  17           H        CYS  17   0.147   5.082  -1.997
  117    HA   CYS  17           HA       CYS  17  -0.207   6.127  -4.708
  118   1HB   CYS  17          2HB       CYS  17   1.691   6.611  -2.403
  119   2HB   CYS  17          1HB       CYS  17   1.876   7.434  -3.955
  120    H    GLY  18           H        GLY  18   1.327   3.418  -3.404
  121   1HA   GLY  18          2HA       GLY  18   3.484   3.429  -5.457
  122   2HA   GLY  18          1HA       GLY  18   3.381   2.315  -4.089
  123    H    LYS  19           H        LYS  19   0.306   2.451  -5.055
  124    HA   LYS  19           HA       LYS  19  -1.082   1.033  -6.314
  125   1HB   LYS  19          2HB       LYS  19   1.379   0.906  -8.088
  126   2HB   LYS  19          1HB       LYS  19  -0.288   0.604  -8.581
  127   1HG   LYS  19          2HG       LYS  19  -0.853   2.839  -8.545
  128   2HG   LYS  19          1HG       LYS  19   0.313   3.222  -7.278
  129   1HD   LYS  19          2HD       LYS  19   1.509   4.117  -9.002
  130   2HD   LYS  19          1HD       LYS  19   1.989   2.442  -9.276
  131   1HE   LYS  19          2HE       LYS  19  -0.282   3.924 -10.644
  132   2HE   LYS  19          1HE       LYS  19   1.202   3.304 -11.397
  133   1HZ   LYS  19          1HZ       LYS  19  -1.011   1.760 -10.173
  134   2HZ   LYS  19          2HZ       LYS  19   0.523   1.078 -10.438
  135   3HZ   LYS  19          3HZ       LYS  19  -0.398   1.640 -11.750
  136    H    LYS  20           H        LYS  20   1.126  -0.003  -4.376
  137    HA   LYS  20           HA       LYS  20   0.692  -2.868  -5.036
  138   1HB   LYS  20          2HB       LYS  20   2.842  -2.096  -6.061
  139   2HB   LYS  20          1HB       LYS  20   3.401  -1.623  -4.455
  140   1HG   LYS  20          2HG       LYS  20   3.736  -3.786  -3.785
  141   2HG   LYS  20          1HG       LYS  20   2.362  -4.393  -4.709
  142   1HD   LYS  20          2HD       LYS  20   3.993  -3.605  -6.734
  143   2HD   LYS  20          1HD       LYS  20   5.192  -4.070  -5.526
  144   1HE   LYS  20          2HE       LYS  20   4.742  -6.083  -6.727
  145   2HE   LYS  20          1HE       LYS  20   3.771  -6.234  -5.249
  146   1HZ   LYS  20          1HZ       LYS  20   1.855  -5.466  -6.362
  147   2HZ   LYS  20          2HZ       LYS  20   2.539  -6.631  -7.394
  148   3HZ   LYS  20          3HZ       LYS  20   2.736  -4.976  -7.726
  149    H    CYS  21           H        CYS  21  -0.727  -2.679  -3.114
  150    HA   CYS  21           HA       CYS  21   0.441  -1.932  -0.544
  151   1HB   CYS  21          2HB       CYS  21  -2.004  -1.825  -1.436
  152   2HB   CYS  21          1HB       CYS  21  -2.088  -3.529  -0.980
  153    H    LYS  22           H        LYS  22   0.204  -3.784   1.299
  154    HA   LYS  22           HA       LYS  22   1.056  -6.404   0.116
  155   1HB   LYS  22          2HB       LYS  22   2.485  -4.537   1.961
  156   2HB   LYS  22          1HB       LYS  22   2.738  -6.271   2.169
  157   1HG   LYS  22          2HG       LYS  22   3.039  -4.827  -0.478
  158   2HG   LYS  22          1HG       LYS  22   4.384  -5.201   0.599
  159   1HD   LYS  22          2HD       LYS  22   3.622  -7.634   0.493
  160   2HD   LYS  22          1HD       LYS  22   2.565  -7.145  -0.832
  161   1HE   LYS  22          2HE       LYS  22   5.180  -6.059  -1.320
  162   2HE   LYS  22          1HE       LYS  22   5.331  -7.796  -0.991
  163   1HZ   LYS  22          1HZ       LYS  22   3.206  -7.917  -2.463
  164   2HZ   LYS  22          2HZ       LYS  22   4.736  -7.819  -3.195
  165   3HZ   LYS  22          3HZ       LYS  22   3.761  -6.434  -3.070
  166    H    ARG  23           H        ARG  23  -0.567  -7.715   0.790
  167    HA   ARG  23           HA       ARG  23  -1.957  -7.560   3.350
  168   1HB   ARG  23          2HB       ARG  23  -2.823  -8.326   1.091
  169   2HB   ARG  23          1HB       ARG  23  -1.849  -9.780   1.303
  170   1HG   ARG  23          2HG       ARG  23  -3.376  -9.259   3.697
  171   2HG   ARG  23          1HG       ARG  23  -4.448  -9.312   2.301
  172   1HD   ARG  23          2HD       ARG  23  -2.801 -11.451   1.791
  173   2HD   ARG  23          1HD       ARG  23  -2.915 -11.494   3.561
  174    HE   ARG  23           HE       ARG  23  -5.473 -11.035   2.196
  175   1HH1  ARG  23          1HH2      ARG  23  -5.413 -12.277   4.857
  176   2HH1  ARG  23          2HH2      ARG  23  -5.633 -13.960   4.515
  177   1HH2  ARG  23          1HH1      ARG  23  -4.820 -13.655   1.157
  178   2HH2  ARG  23          2HH1      ARG  23  -5.296 -14.740   2.420
  179    H    ARG  24           H        ARG  24  -1.961  -9.471   4.855
  180    HA   ARG  24           HA       ARG  24   0.763 -10.328   5.497
  181   1HB   ARG  24          2HB       ARG  24  -1.529  -9.799   6.884
  182   2HB   ARG  24          1HB       ARG  24  -1.584 -11.562   6.823
  183   1HG   ARG  24          2HG       ARG  24   0.990 -11.289   7.486
  184   2HG   ARG  24          1HG       ARG  24   0.392  -9.773   8.165
  185   1HD   ARG  24          2HD       ARG  24  -1.509 -11.706   8.931
  186   2HD   ARG  24          1HD       ARG  24   0.075 -12.463   9.201
  187    HE   ARG  24           HE       ARG  24  -0.920 -10.031  10.537
  188   1HH1  ARG  24          1HH2      ARG  24   1.134 -12.642  10.744
  189   2HH1  ARG  24          2HH2      ARG  24   2.436 -11.800  11.518
  190   1HH2  ARG  24          1HH1      ARG  24   1.020  -8.666  11.077
  191   2HH2  ARG  24          2HH1      ARG  24   2.370  -9.549  11.706
  192    H    GLY  25           H        GLY  25   0.379 -11.349   3.017
  193   1HA   GLY  25          2HA       GLY  25   0.770 -14.138   3.292
  194   2HA   GLY  25          1HA       GLY  25  -0.922 -13.891   2.858
  195    H    THR  26           H        THR  26  -1.383 -12.790   0.822
  196    HA   THR  26           HA       THR  26   0.922 -12.608  -1.071
  197    HB   THR  26           HB       THR  26  -0.008 -14.847  -1.278
  198    HG1  THR  26           1HG      THR  26  -0.416 -14.763  -3.411
  199   1HG2  THR  26          1HG2      THR  26  -2.513 -14.903  -2.051
  200   2HG2  THR  26          2HG2      THR  26  -2.605 -13.338  -1.244
  201   3HG2  THR  26          3HG2      THR  26  -2.142 -14.775  -0.331
  202    H    ASN  27           H        ASN  27   0.084 -10.285  -0.296
  203    HA   ASN  27           HA       ASN  27  -0.945  -8.265  -0.902
  204   1HB   ASN  27          2HB       ASN  27  -0.834  -7.882  -3.174
  205   2HB   ASN  27          1HB       ASN  27   0.122  -9.357  -3.073
  206   1HD2  ASN  27          1HD2      ASN  27  -3.319  -8.350  -3.537
  207   2HD2  ASN  27          2HD2      ASN  27  -3.685  -9.596  -4.630
  208    H    ALA  28           H        ALA  28  -2.981  -7.323  -0.846
  209    HA   ALA  28           HA       ALA  28  -5.417  -8.379  -1.792
  210   1HB   ALA  28          1HB       ALA  28  -5.795 -10.129  -0.417
  211   2HB   ALA  28          2HB       ALA  28  -5.766  -9.028   0.961
  212   3HB   ALA  28          3HB       ALA  28  -4.278  -9.805   0.422
  213    H    GLU  29           H        GLU  29  -4.207  -7.063   1.308
  214    HA   GLU  29           HA       GLU  29  -5.060  -4.395   0.928
  215   1HB   GLU  29          2HB       GLU  29  -7.209  -6.227   1.107
  216   2HB   GLU  29          1HB       GLU  29  -7.187  -5.348   2.634
  217   1HG   GLU  29          2HG       GLU  29  -7.620  -3.316   1.638
  218   2HG   GLU  29          1HG       GLU  29  -6.826  -3.767   0.129
  219    H    LYS  30           H        LYS  30  -2.942  -4.711   2.288
  220    HA   LYS  30           HA       LYS  30  -3.665  -4.791   5.189
  221   1HB   LYS  30          2HB       LYS  30  -1.615  -6.071   3.624
  222   2HB   LYS  30          1HB       LYS  30  -0.998  -5.253   5.053
  223   1HG   LYS  30          2HG       LYS  30  -1.718  -7.681   5.412
  224   2HG   LYS  30          1HG       LYS  30  -2.417  -6.494   6.514
  225   1HD   LYS  30          2HD       LYS  30  -4.478  -6.438   5.243
  226   2HD   LYS  30          1HD       LYS  30  -3.785  -7.466   3.989
  227   1HE   LYS  30          2HE       LYS  30  -4.532  -9.269   5.144
  228   2HE   LYS  30          1HE       LYS  30  -3.433  -8.829   6.467
  229   1HZ   LYS  30          1HZ       LYS  30  -6.221  -7.919   6.035
  230   2HZ   LYS  30          2HZ       LYS  30  -5.158  -7.121   7.094
  231   3HZ   LYS  30          3HZ       LYS  30  -5.590  -8.739   7.379
  232    H    ARG  31           H        ARG  31  -0.561  -3.913   3.834
  233    HA   ARG  31           HA       ARG  31  -1.082  -1.040   4.526
  234   1HB   ARG  31          2HB       ARG  31   0.486  -2.905   5.925
  235   2HB   ARG  31          1HB       ARG  31   1.642  -1.923   5.026
  236   1HG   ARG  31          2HG       ARG  31   0.340   0.115   5.890
  237   2HG   ARG  31          1HG       ARG  31  -0.427  -0.999   7.022
  238   1HD   ARG  31          2HD       ARG  31   2.278  -1.625   7.247
  239   2HD   ARG  31          1HD       ARG  31   2.263   0.144   7.107
  240    HE   ARG  31           HE       ARG  31   0.915   0.264   9.093
  241   1HH1  ARG  31          1HH2      ARG  31   2.849  -2.069   9.731
  242   2HH1  ARG  31          2HH2      ARG  31   1.746  -3.199  10.444
  243   1HH2  ARG  31          1HH1      ARG  31  -1.087  -1.573   9.281
  244   2HH2  ARG  31          2HH1      ARG  31  -0.481  -2.916  10.191
  245    H    CYS  32           H        CYS  32  -0.052   0.446   3.152
  246    HA   CYS  32           HA       CYS  32   0.609  -0.384   0.492
  247   1HB   CYS  32          2HB       CYS  32   1.252   2.158   2.025
  248   2HB   CYS  32          1HB       CYS  32   1.266   1.993   0.265
  249    H    ARG  33           H        ARG  33   2.465  -1.406  -0.142
  250    HA   ARG  33           HA       ARG  33   5.065  -0.517   0.994
  251   1HB   ARG  33          2HB       ARG  33   4.087  -3.391   0.968
  252   2HB   ARG  33          1HB       ARG  33   5.649  -2.834   1.567
  253   1HG   ARG  33          2HG       ARG  33   4.427  -1.392   3.223
  254   2HG   ARG  33          1HG       ARG  33   2.922  -2.145   2.694
  255   1HD   ARG  33          2HD       ARG  33   4.402  -4.373   3.173
  256   2HD   ARG  33          1HD       ARG  33   5.094  -3.267   4.378
  257    HE   ARG  33           HE       ARG  33   2.129  -3.492   4.146
  258   1HH1  ARG  33          1HH2      ARG  33   4.692  -2.595   6.086
  259   2HH1  ARG  33          2HH2      ARG  33   4.112  -3.360   7.528
  260   1HH2  ARG  33          1HH1      ARG  33   1.529  -5.025   5.918
  261   2HH2  ARG  33          2HH1      ARG  33   2.319  -4.736   7.432
  Start of MODEL   18
    1   1H    GLY   1          1HT       GLY   1  -8.122  12.376  -6.043
    2   2H    GLY   1          2HT       GLY   1  -7.968  10.994  -7.019
    3   3H    GLY   1          3HT       GLY   1  -8.071  12.534  -7.732
    4   1HA   GLY   1          2HA       GLY   1  -5.772  11.265  -7.343
    5   2HA   GLY   1          1HA       GLY   1  -5.918  13.024  -7.370
    6    H    ASP   2           H        ASP   2  -6.193  10.270  -5.099
    7    HA   ASP   2           HA       ASP   2  -4.604  11.783  -3.119
    8   1HB   ASP   2          2HB       ASP   2  -6.368  11.834  -1.477
    9   2HB   ASP   2          1HB       ASP   2  -7.049  12.480  -2.970
   10    H    CYS   3           H        CYS   3  -3.700   9.501  -4.258
   11    HA   CYS   3           HA       CYS   3  -4.562   7.025  -3.108
   12   1HB   CYS   3          2HB       CYS   3  -2.240   6.318  -3.816
   13   2HB   CYS   3          1HB       CYS   3  -3.163   7.135  -5.081
   14    H    LEU   4           H        LEU   4  -3.247   5.752  -1.495
   15    HA   LEU   4           HA       LEU   4  -2.662   7.416   0.866
   16   1HB   LEU   4          2HB       LEU   4  -2.665   4.420   0.360
   17   2HB   LEU   4          1HB       LEU   4  -2.563   5.180   1.947
   18    HG   LEU   4           HG       LEU   4  -4.784   6.273   0.446
   19   1HD1  LEU   4          1HD1      LEU   4  -5.671   4.439  -0.506
   20   2HD1  LEU   4          2HD1      LEU   4  -5.739   3.667   1.079
   21   3HD1  LEU   4          3HD1      LEU   4  -4.310   3.472   0.064
   22   1HD2  LEU   4          1HD2      LEU   4  -6.006   5.604   2.478
   23   2HD2  LEU   4          2HD2      LEU   4  -4.473   6.365   2.907
   24   3HD2  LEU   4          3HD2      LEU   4  -4.639   4.611   2.983
   25    HA   PRO   5           HA       PRO   5   1.718   7.353   0.596
   26   1HB   PRO   5          2HB       PRO   5   2.469   6.644   3.136
   27   2HB   PRO   5          1HB       PRO   5   1.797   8.241   2.741
   28   1HG   PRO   5          2HG       PRO   5   0.402   5.828   3.819
   29   2HG   PRO   5          1HG       PRO   5   0.304   7.508   4.373
   30   1HD   PRO   5          2HD       PRO   5  -1.601   6.475   2.839
   31   2HD   PRO   5          1HD       PRO   5  -1.046   8.147   2.585
   32    H    HIS   6           H        HIS   6   3.646   5.829   0.836
   33    HA   HIS   6           HA       HIS   6   2.848   3.143   0.158
   34   1HB   HIS   6          2HB       HIS   6   4.506   4.240  -1.196
   35   2HB   HIS   6          1HB       HIS   6   5.464   4.639   0.229
   36    HD1  HIS   6           1HD      HIS   6   7.548   3.296  -0.376
   37    HD2  HIS   6           2HD      HIS   6   4.076   0.990  -0.400
   38    HE1  HIS   6           1HE      HIS   6   8.292   0.885  -0.564
   39    H    LEU   7           H        LEU   7   2.424   3.883   2.916
   40    HA   LEU   7           HA       LEU   7   3.723   1.680   4.187
   41   1HB   LEU   7          2HB       LEU   7   4.737   4.421   4.371
   42   2HB   LEU   7          1HB       LEU   7   4.481   3.671   5.946
   43    HG   LEU   7           HG       LEU   7   6.193   2.629   3.673
   44   1HD1  LEU   7          1HD1      LEU   7   7.974   3.277   4.934
   45   2HD1  LEU   7          2HD1      LEU   7   7.185   2.838   6.449
   46   3HD1  LEU   7          3HD1      LEU   7   6.810   4.377   5.673
   47   1HD2  LEU   7          1HD2      LEU   7   4.962   1.269   6.032
   48   2HD2  LEU   7          2HD2      LEU   7   6.636   0.867   5.650
   49   3HD2  LEU   7          3HD2      LEU   7   5.372   0.614   4.447
   50    H    LYS   8           H        LYS   8   0.988   3.041   3.725
   51    HA   LYS   8           HA       LYS   8   0.116   2.988   6.600
   52   1HB   LYS   8          2HB       LYS   8  -0.018   5.220   5.607
   53   2HB   LYS   8          1HB       LYS   8  -0.914   4.577   4.231
   54   1HG   LYS   8          2HG       LYS   8  -2.820   4.084   5.559
   55   2HG   LYS   8          1HG       LYS   8  -1.915   4.267   7.062
   56   1HD   LYS   8          2HD       LYS   8  -1.688   6.654   6.706
   57   2HD   LYS   8          1HD       LYS   8  -2.415   6.524   5.104
   58   1HE   LYS   8          2HE       LYS   8  -4.357   5.348   6.631
   59   2HE   LYS   8          1HE       LYS   8  -3.726   6.570   7.755
   60   1HZ   LYS   8          1HZ       LYS   8  -4.305   7.177   4.914
   61   2HZ   LYS   8          2HZ       LYS   8  -4.042   8.271   6.186
   62   3HZ   LYS   8          3HZ       LYS   8  -5.475   7.361   6.128
   63    H    ARG   9           H        ARG   9  -2.124   2.160   6.887
   64    HA   ARG   9           HA       ARG   9  -2.588  -0.294   5.578
   65   1HB   ARG   9          2HB       ARG   9  -4.187   1.628   7.240
   66   2HB   ARG   9          1HB       ARG   9  -5.007   0.242   6.524
   67   1HG   ARG   9          2HG       ARG   9  -2.430  -0.140   8.031
   68   2HG   ARG   9          1HG       ARG   9  -3.959  -0.018   8.902
   69   1HD   ARG   9          2HD       ARG   9  -3.245  -2.053   6.764
   70   2HD   ARG   9          1HD       ARG   9  -3.582  -2.371   8.475
   71    HE   ARG   9           HE       ARG   9  -5.586  -1.927   6.429
   72   1HH1  ARG   9          1HH2      ARG   9  -5.872  -3.415   9.090
   73   2HH1  ARG   9          2HH2      ARG   9  -7.012  -2.402   9.913
   74   1HH2  ARG   9          1HH1      ARG   9  -6.578   0.282   7.761
   75   2HH2  ARG   9          2HH1      ARG   9  -7.411  -0.308   9.159
   76    H    CYS  10           H        CYS  10  -3.796  -0.856   3.745
   77    HA   CYS  10           HA       CYS  10  -4.983   1.418   2.196
   78   1HB   CYS  10          2HB       CYS  10  -4.311  -0.593   0.370
   79   2HB   CYS  10          1HB       CYS  10  -3.435   0.906   0.636
   80    H    LYS  11           H        LYS  11  -7.020   1.103   1.372
   81    HA   LYS  11           HA       LYS  11  -8.541  -1.236   2.296
   82   1HB   LYS  11          2HB       LYS  11  -9.075   1.401   1.932
   83   2HB   LYS  11          1HB       LYS  11  -9.678   0.760   0.403
   84   1HG   LYS  11          2HG       LYS  11 -10.635  -1.051   2.278
   85   2HG   LYS  11          1HG       LYS  11 -10.801   0.505   3.092
   86   1HD   LYS  11          2HD       LYS  11 -11.616   0.529   0.259
   87   2HD   LYS  11          1HD       LYS  11 -12.612  -0.496   1.293
   88   1HE   LYS  11          2HE       LYS  11 -13.644   1.639   1.454
   89   2HE   LYS  11          1HE       LYS  11 -12.632   1.564   2.910
   90   1HZ   LYS  11          1HZ       LYS  11 -12.197   3.615   1.743
   91   2HZ   LYS  11          2HZ       LYS  11 -11.879   2.774   0.301
   92   3HZ   LYS  11          3HZ       LYS  11 -10.834   2.612   1.631
   93    H    ALA  12           H        ALA  12  -6.728  -0.375  -0.470
   94    HA   ALA  12           HA       ALA  12  -7.612  -2.799  -1.897
   95   1HB   ALA  12          1HB       ALA  12  -7.752  -0.718  -3.819
   96   2HB   ALA  12          2HB       ALA  12  -8.657  -0.159  -2.412
   97   3HB   ALA  12          3HB       ALA  12  -9.089  -1.681  -3.190
   98    H    ASP  13           H        ASP  13  -6.232  -3.099  -3.904
   99    HA   ASP  13           HA       ASP  13  -3.477  -2.738  -3.367
  100   1HB   ASP  13          2HB       ASP  13  -5.051  -3.338  -5.884
  101   2HB   ASP  13          1HB       ASP  13  -3.292  -3.477  -5.784
  102    H    ASN  14           H        ASN  14  -5.713  -0.852  -5.399
  103    HA   ASN  14           HA       ASN  14  -3.549   0.941  -6.296
  104   1HB   ASN  14          2HB       ASN  14  -5.323   1.899  -7.653
  105   2HB   ASN  14          1HB       ASN  14  -5.469   0.142  -7.709
  106   1HD2  ASN  14          1HD2      ASN  14  -7.399  -0.790  -6.903
  107   2HD2  ASN  14          2HD2      ASN  14  -8.651   0.108  -6.189
  108    H    ASP  15           H        ASP  15  -5.109   0.697  -3.425
  109    HA   ASP  15           HA       ASP  15  -6.004   3.405  -2.974
  110   1HB   ASP  15          2HB       ASP  15  -5.994   0.914  -1.714
  111   2HB   ASP  15          1HB       ASP  15  -5.217   2.020  -0.588
  112    H    CYS  16           H        CYS  16  -2.934   1.734  -2.635
  113    HA   CYS  16           HA       CYS  16  -1.603   3.844  -1.077
  114   1HB   CYS  16          2HB       CYS  16  -0.610   1.497  -2.748
  115   2HB   CYS  16          1HB       CYS  16   0.373   2.419  -1.604
  116    H    CYS  17           H        CYS  17   0.209   5.098  -1.992
  117    HA   CYS  17           HA       CYS  17  -0.373   6.181  -4.651
  118   1HB   CYS  17          2HB       CYS  17   1.701   6.673  -2.500
  119   2HB   CYS  17          1HB       CYS  17   1.702   7.548  -4.034
  120    H    GLY  18           H        GLY  18   1.329   3.494  -3.492
  121   1HA   GLY  18          2HA       GLY  18   3.303   3.603  -5.728
  122   2HA   GLY  18          1HA       GLY  18   3.387   2.503  -4.347
  123    H    LYS  19           H        LYS  19   0.212   2.560  -5.120
  124    HA   LYS  19           HA       LYS  19  -1.193   1.024  -6.222
  125   1HB   LYS  19          2HB       LYS  19   1.143   0.893  -8.160
  126   2HB   LYS  19          1HB       LYS  19  -0.557   0.597  -8.526
  127   1HG   LYS  19          2HG       LYS  19  -0.975   3.010  -7.741
  128   2HG   LYS  19          1HG       LYS  19   0.773   3.222  -7.838
  129   1HD   LYS  19          2HD       LYS  19   0.758   2.598 -10.199
  130   2HD   LYS  19          1HD       LYS  19  -0.974   2.267 -10.126
  131   1HE   LYS  19          2HE       LYS  19  -0.785   4.475 -11.049
  132   2HE   LYS  19          1HE       LYS  19  -1.229   4.722  -9.348
  133   1HZ   LYS  19          1HZ       LYS  19   0.839   5.939 -10.330
  134   2HZ   LYS  19          2HZ       LYS  19   1.607   4.445 -10.071
  135   3HZ   LYS  19          3HZ       LYS  19   0.906   5.279  -8.768
  136    H    LYS  20           H        LYS  20   1.076   0.180  -4.338
  137    HA   LYS  20           HA       LYS  20   0.973  -2.726  -5.021
  138   1HB   LYS  20          2HB       LYS  20   3.399  -2.785  -4.279
  139   2HB   LYS  20          1HB       LYS  20   3.114  -1.918  -5.790
  140   1HG   LYS  20          2HG       LYS  20   3.178   0.218  -4.646
  141   2HG   LYS  20          1HG       LYS  20   3.267  -0.579  -3.074
  142   1HD   LYS  20          2HD       LYS  20   5.513  -0.183  -3.393
  143   2HD   LYS  20          1HD       LYS  20   5.393  -1.739  -4.217
  144   1HE   LYS  20          2HE       LYS  20   4.810  -0.289  -6.329
  145   2HE   LYS  20          1HE       LYS  20   5.592   1.017  -5.415
  146   1HZ   LYS  20          1HZ       LYS  20   7.589   0.056  -5.594
  147   2HZ   LYS  20          2HZ       LYS  20   6.909  -0.862  -6.852
  148   3HZ   LYS  20          3HZ       LYS  20   6.988  -1.499  -5.279
  149    H    CYS  21           H        CYS  21  -0.784  -2.334  -3.246
  150    HA   CYS  21           HA       CYS  21   0.194  -1.833  -0.533
  151   1HB   CYS  21          2HB       CYS  21  -2.075  -1.223  -1.196
  152   2HB   CYS  21          1HB       CYS  21  -2.407  -2.873  -1.728
  153    H    LYS  22           H        LYS  22   0.218  -3.618   1.151
  154    HA   LYS  22           HA       LYS  22   0.341  -6.357  -0.065
  155   1HB   LYS  22          2HB       LYS  22   2.567  -5.080   0.271
  156   2HB   LYS  22          1HB       LYS  22   2.304  -5.355   1.995
  157   1HG   LYS  22          2HG       LYS  22   1.802  -7.834   0.760
  158   2HG   LYS  22          1HG       LYS  22   3.255  -7.209  -0.018
  159   1HD   LYS  22          2HD       LYS  22   3.988  -6.639   2.441
  160   2HD   LYS  22          1HD       LYS  22   2.792  -7.859   2.877
  161   1HE   LYS  22          2HE       LYS  22   3.931  -9.466   1.313
  162   2HE   LYS  22          1HE       LYS  22   5.198  -8.248   1.063
  163   1HZ   LYS  22          1HZ       LYS  22   5.411  -8.138   3.525
  164   2HZ   LYS  22          2HZ       LYS  22   5.881  -9.631   2.863
  165   3HZ   LYS  22          3HZ       LYS  22   4.378  -9.478   3.638
  166    H    ARG  23           H        ARG  23  -0.953  -7.728   1.049
  167    HA   ARG  23           HA       ARG  23  -2.099  -7.082   3.632
  168   1HB   ARG  23          2HB       ARG  23  -3.667  -8.314   2.569
  169   2HB   ARG  23          1HB       ARG  23  -2.491  -8.870   1.385
  170   1HG   ARG  23          2HG       ARG  23  -1.718 -10.574   3.097
  171   2HG   ARG  23          1HG       ARG  23  -3.090 -10.089   4.095
  172   1HD   ARG  23          2HD       ARG  23  -3.217 -11.276   1.302
  173   2HD   ARG  23          1HD       ARG  23  -3.808 -12.008   2.809
  174    HE   ARG  23           HE       ARG  23  -4.922  -9.450   1.718
  175   1HH1  ARG  23          1HH1      ARG  23  -5.250 -11.121   4.472
  176   2HH1  ARG  23          2HH1      ARG  23  -6.909 -11.577   4.274
  177   1HH2  ARG  23          1HH2      ARG  23  -7.050 -10.617   0.944
  178   2HH2  ARG  23          2HH2      ARG  23  -7.929 -11.291   2.275
  179    H    ARG  24           H        ARG  24  -2.073  -9.146   5.247
  180    HA   ARG  24           HA       ARG  24   0.724  -9.566   6.017
  181   1HB   ARG  24          2HB       ARG  24  -0.344 -10.804   7.874
  182   2HB   ARG  24          1HB       ARG  24  -1.177  -9.270   7.615
  183   1HG   ARG  24          2HG       ARG  24  -2.474 -11.022   5.885
  184   2HG   ARG  24          1HG       ARG  24  -2.188 -11.997   7.326
  185   1HD   ARG  24          2HD       ARG  24  -3.074  -9.848   8.594
  186   2HD   ARG  24          1HD       ARG  24  -3.836  -9.503   7.028
  187    HE   ARG  24           HE       ARG  24  -4.162 -12.268   7.989
  188   1HH1  ARG  24          1HH2      ARG  24  -5.315  -9.179   8.751
  189   2HH1  ARG  24          2HH2      ARG  24  -6.990  -9.584   8.587
  190   1HH2  ARG  24          1HH1      ARG  24  -6.374 -12.763   7.347
  191   2HH2  ARG  24          2HH1      ARG  24  -7.591 -11.613   7.794
  192    H    GLY  25           H        GLY  25   0.626 -10.522   3.529
  193   1HA   GLY  25          2HA       GLY  25   1.690 -12.873   3.132
  194   2HA   GLY  25          1HA       GLY  25   0.093 -13.446   3.633
  195    H    THR  26           H        THR  26   1.752 -13.101   0.910
  196    HA   THR  26           HA       THR  26   1.255 -12.495  -1.320
  197    HB   THR  26           HB       THR  26   0.066 -14.581  -1.071
  198    HG1  THR  26           1HG      THR  26  -0.426 -13.349  -2.926
  199   1HG2  THR  26          1HG2      THR  26  -2.134 -12.922   0.188
  200   2HG2  THR  26          2HG2      THR  26  -1.166 -14.167   0.976
  201   3HG2  THR  26          3HG2      THR  26  -2.309 -14.607  -0.288
  202    H    ASN  27           H        ASN  27   1.358 -10.253  -1.266
  203    HA   ASN  27           HA       ASN  27   0.053  -8.157  -0.358
  204   1HB   ASN  27          2HB       ASN  27  -0.077  -7.304  -2.823
  205   2HB   ASN  27          1HB       ASN  27   1.489  -7.770  -2.163
  206   1HD2  ASN  27          1HD2      ASN  27  -0.825 -10.324  -2.903
  207   2HD2  ASN  27          2HD2      ASN  27  -0.034 -10.891  -4.290
  208    H    ALA  28           H        ALA  28  -2.036  -7.193  -0.280
  209    HA   ALA  28           HA       ALA  28  -4.130  -7.842  -2.117
  210   1HB   ALA  28          1HB       ALA  28  -4.460  -9.949  -1.338
  211   2HB   ALA  28          2HB       ALA  28  -5.346  -9.130  -0.054
  212   3HB   ALA  28          3HB       ALA  28  -3.670  -9.607   0.199
  213    H    GLU  29           H        GLU  29  -3.635  -6.970   1.361
  214    HA   GLU  29           HA       GLU  29  -4.941  -4.438   1.006
  215   1HB   GLU  29          2HB       GLU  29  -6.686  -6.447   0.740
  216   2HB   GLU  29          1HB       GLU  29  -6.752  -6.265   2.491
  217   1HG   GLU  29          2HG       GLU  29  -6.803  -3.646   1.441
  218   2HG   GLU  29          1HG       GLU  29  -7.925  -4.587   0.457
  219    H    LYS  30           H        LYS  30  -2.690  -4.804   2.563
  220    HA   LYS  30           HA       LYS  30  -3.845  -4.420   5.291
  221   1HB   LYS  30          2HB       LYS  30  -1.354  -5.855   4.485
  222   2HB   LYS  30          1HB       LYS  30  -1.465  -5.094   6.061
  223   1HG   LYS  30          2HG       LYS  30  -3.325  -7.220   4.961
  224   2HG   LYS  30          1HG       LYS  30  -2.189  -7.395   6.299
  225   1HD   LYS  30          2HD       LYS  30  -4.718  -5.743   6.197
  226   2HD   LYS  30          1HD       LYS  30  -4.305  -7.036   7.321
  227   1HE   LYS  30          2HE       LYS  30  -2.857  -4.365   7.157
  228   2HE   LYS  30          1HE       LYS  30  -4.045  -4.810   8.399
  229   1HZ   LYS  30          1HZ       LYS  30  -1.937  -5.372   9.277
  230   2HZ   LYS  30          2HZ       LYS  30  -1.441  -6.113   7.830
  231   3HZ   LYS  30          3HZ       LYS  30  -2.642  -6.837   8.789
  232    H    ARG  31           H        ARG  31  -0.472  -3.890   4.593
  233    HA   ARG  31           HA       ARG  31  -1.017  -0.948   4.795
  234   1HB   ARG  31          2HB       ARG  31   0.230  -1.807   6.676
  235   2HB   ARG  31          1HB       ARG  31   1.338  -2.669   5.611
  236   1HG   ARG  31          2HG       ARG  31   2.558  -0.805   5.168
  237   2HG   ARG  31          1HG       ARG  31   1.125   0.221   5.069
  238   1HD   ARG  31          2HD       ARG  31   2.655   0.734   7.038
  239   2HD   ARG  31          1HD       ARG  31   0.985   0.352   7.498
  240    HE   ARG  31           HE       ARG  31   3.033  -1.819   7.419
  241   1HH1  ARG  31          1HH1      ARG  31   2.949  -0.015   9.891
  242   2HH1  ARG  31          2HH1      ARG  31   1.922  -0.939  10.936
  243   1HH2  ARG  31          1HH2      ARG  31   0.720  -2.970   8.395
  244   2HH2  ARG  31          2HH2      ARG  31   0.661  -2.614  10.089
  245    H    CYS  32           H        CYS  32   0.215   0.441   3.425
  246    HA   CYS  32           HA       CYS  32   0.653  -0.504   0.750
  247   1HB   CYS  32          2HB       CYS  32   1.524   1.978   2.262
  248   2HB   CYS  32          1HB       CYS  32   1.663   1.789   0.510
  249    H    ARG  33           H        ARG  33   2.342  -1.798   0.130
  250    HA   ARG  33           HA       ARG  33   5.067  -1.174   1.156
  251   1HB   ARG  33          2HB       ARG  33   3.737  -3.903   1.247
  252   2HB   ARG  33          1HB       ARG  33   5.380  -3.537   1.777
  253   1HG   ARG  33          2HG       ARG  33   4.241  -1.773   3.320
  254   2HG   ARG  33          1HG       ARG  33   2.770  -2.699   3.024
  255   1HD   ARG  33          2HD       ARG  33   4.760  -4.618   3.602
  256   2HD   ARG  33          1HD       ARG  33   4.959  -3.331   4.806
  257    HE   ARG  33           HE       ARG  33   2.163  -3.858   4.475
  258   1HH1  ARG  33          1HH1      ARG  33   2.939  -6.672   4.577
  259   2HH1  ARG  33          2HH1      ARG  33   3.077  -6.997   6.273
  260   1HH2  ARG  33          1HH2      ARG  33   3.270  -3.653   7.165
  261   2HH2  ARG  33          2HH2      ARG  33   3.263  -5.286   7.738
  Start of MODEL   19
    1   1H    GLY   1          1HT       GLY   1  -7.931  12.452  -6.002
    2   2H    GLY   1          2HT       GLY   1  -9.550  12.125  -5.600
    3   3H    GLY   1          3HT       GLY   1  -9.013  11.926  -7.200
    4   1HA   GLY   1          2HA       GLY   1  -9.291   9.830  -5.840
    5   2HA   GLY   1          1HA       GLY   1  -7.757  10.038  -6.685
    6    H    ASP   2           H        ASP   2  -6.166  11.494  -5.252
    7    HA   ASP   2           HA       ASP   2  -4.880  11.623  -3.272
    8   1HB   ASP   2          2HB       ASP   2  -7.558  11.906  -2.603
    9   2HB   ASP   2          1HB       ASP   2  -7.015  10.617  -1.529
   10    H    CYS   3           H        CYS   3  -3.448   9.889  -3.594
   11    HA   CYS   3           HA       CYS   3  -4.348   7.133  -2.940
   12   1HB   CYS   3          2HB       CYS   3  -2.118   6.567  -3.894
   13   2HB   CYS   3          1HB       CYS   3  -3.062   7.580  -4.993
   14    H    LEU   4           H        LEU   4  -3.044   5.843  -1.415
   15    HA   LEU   4           HA       LEU   4  -2.154   7.457   0.901
   16   1HB   LEU   4          2HB       LEU   4  -2.496   4.465   0.504
   17   2HB   LEU   4          1HB       LEU   4  -2.320   5.298   2.051
   18    HG   LEU   4           HG       LEU   4  -4.416   6.580   0.602
   19   1HD1  LEU   4          1HD1      LEU   4  -5.504   4.938  -0.477
   20   2HD1  LEU   4          2HD1      LEU   4  -5.605   4.011   1.020
   21   3HD1  LEU   4          3HD1      LEU   4  -4.215   3.812  -0.049
   22   1HD2  LEU   4          1HD2      LEU   4  -4.051   5.041   3.139
   23   2HD2  LEU   4          2HD2      LEU   4  -5.701   5.334   2.590
   24   3HD2  LEU   4          3HD2      LEU   4  -4.621   6.694   2.902
   25    HA   PRO   5           HA       PRO   5   2.152   6.935   0.205
   26   1HB   PRO   5          2HB       PRO   5   3.031   6.498   2.763
   27   2HB   PRO   5          1HB       PRO   5   2.470   8.089   2.199
   28   1HG   PRO   5          2HG       PRO   5   0.943   5.971   3.673
   29   2HG   PRO   5          1HG       PRO   5   1.054   7.706   4.018
   30   1HD   PRO   5          2HD       PRO   5  -1.054   6.717   2.765
   31   2HD   PRO   5          1HD       PRO   5  -0.350   8.271   2.251
   32    H    HIS   6           H        HIS   6   4.009   5.259   0.875
   33    HA   HIS   6           HA       HIS   6   2.917   2.616   0.462
   34   1HB   HIS   6          2HB       HIS   6   4.988   2.124  -0.447
   35   2HB   HIS   6          1HB       HIS   6   4.996   3.875  -0.631
   36    HD1  HIS   6           1HD      HIS   6   6.662   5.208   0.785
   37    HD2  HIS   6           2HD      HIS   6   6.606   1.161   1.761
   38    HE1  HIS   6           1HE      HIS   6   8.653   4.795   2.290
   39    H    LEU   7           H        LEU   7   2.528   3.883   3.032
   40    HA   LEU   7           HA       LEU   7   3.504   1.751   4.723
   41   1HB   LEU   7          2HB       LEU   7   4.960   4.091   4.445
   42   2HB   LEU   7          1HB       LEU   7   4.032   4.365   5.920
   43    HG   LEU   7           HG       LEU   7   6.235   3.276   6.350
   44   1HD1  LEU   7          1HD1      LEU   7   3.839   1.506   6.920
   45   2HD1  LEU   7          2HD1      LEU   7   4.276   2.937   7.852
   46   3HD1  LEU   7          3HD1      LEU   7   5.349   1.537   7.830
   47   1HD2  LEU   7          1HD2      LEU   7   5.061   0.825   5.032
   48   2HD2  LEU   7          2HD2      LEU   7   6.723   1.094   5.557
   49   3HD2  LEU   7          3HD2      LEU   7   6.095   1.949   4.149
   50    H    LYS   8           H        LYS   8   0.883   2.762   3.806
   51    HA   LYS   8           HA       LYS   8  -0.313   3.336   6.493
   52   1HB   LYS   8          2HB       LYS   8  -0.457   4.762   3.903
   53   2HB   LYS   8          1HB       LYS   8  -2.011   4.523   4.701
   54   1HG   LYS   8          2HG       LYS   8   0.027   5.334   6.605
   55   2HG   LYS   8          1HG       LYS   8  -0.130   6.508   5.298
   56   1HD   LYS   8          2HD       LYS   8  -1.721   7.154   6.968
   57   2HD   LYS   8          1HD       LYS   8  -2.648   6.399   5.670
   58   1HE   LYS   8          2HE       LYS   8  -3.514   5.014   7.248
   59   2HE   LYS   8          1HE       LYS   8  -1.905   4.274   7.365
   60   1HZ   LYS   8          1HZ       LYS   8  -2.411   5.084   9.514
   61   2HZ   LYS   8          2HZ       LYS   8  -2.962   6.574   8.912
   62   3HZ   LYS   8          3HZ       LYS   8  -1.308   6.190   8.851
   63    H    ARG   9           H        ARG   9  -2.430   2.394   6.784
   64    HA   ARG   9           HA       ARG   9  -2.832  -0.150   5.567
   65   1HB   ARG   9          2HB       ARG   9  -3.899   0.007   7.602
   66   2HB   ARG   9          1HB       ARG   9  -4.219   1.727   7.405
   67   1HG   ARG   9          2HG       ARG   9  -6.295   0.307   7.424
   68   2HG   ARG   9          1HG       ARG   9  -6.111   1.270   5.958
   69   1HD   ARG   9          2HD       ARG   9  -6.187  -0.619   4.717
   70   2HD   ARG   9          1HD       ARG   9  -4.753  -1.231   5.566
   71    HE   ARG   9           HE       ARG   9  -6.265  -2.675   6.657
   72   1HH1  ARG   9          1HH1      ARG   9  -8.366  -0.745   5.061
   73   2HH1  ARG   9          2HH1      ARG   9  -9.536  -0.596   6.330
   74   1HH2  ARG   9          1HH2      ARG   9  -7.486  -1.998   8.749
   75   2HH2  ARG   9          2HH2      ARG   9  -9.038  -1.305   8.416
   76    H    CYS  10           H        CYS  10  -4.045  -0.756   3.756
   77    HA   CYS  10           HA       CYS  10  -5.419   1.466   2.275
   78   1HB   CYS  10          2HB       CYS  10  -4.439   0.633   0.262
   79   2HB   CYS  10          1HB       CYS  10  -3.142   0.649   1.449
   80    H    LYS  11           H        LYS  11  -7.433   0.980   1.433
   81    HA   LYS  11           HA       LYS  11  -8.691  -1.556   2.261
   82   1HB   LYS  11          2HB       LYS  11  -9.696   0.789   2.391
   83   2HB   LYS  11          1HB       LYS  11  -9.824   0.739   0.632
   84   1HG   LYS  11          2HG       LYS  11 -11.940  -0.007   1.446
   85   2HG   LYS  11          1HG       LYS  11 -11.089  -1.465   0.930
   86   1HD   LYS  11          2HD       LYS  11 -10.320  -1.770   3.307
   87   2HD   LYS  11          1HD       LYS  11 -11.368  -0.426   3.764
   88   1HE   LYS  11          2HE       LYS  11 -13.250  -1.774   2.559
   89   2HE   LYS  11          1HE       LYS  11 -12.148  -3.154   2.739
   90   1HZ   LYS  11          1HZ       LYS  11 -13.330  -1.451   4.843
   91   2HZ   LYS  11          2HZ       LYS  11 -11.884  -2.297   5.127
   92   3HZ   LYS  11          3HZ       LYS  11 -13.305  -3.143   4.739
   93    H    ALA  12           H        ALA  12  -7.004  -0.372  -0.440
   94    HA   ALA  12           HA       ALA  12  -7.772  -2.738  -2.040
   95   1HB   ALA  12          1HB       ALA  12  -9.417  -1.155  -2.763
   96   2HB   ALA  12          2HB       ALA  12  -8.165  -1.126  -4.005
   97   3HB   ALA  12          3HB       ALA  12  -8.239   0.157  -2.797
   98    H    ASP  13           H        ASP  13  -5.920  -3.504  -3.017
   99    HA   ASP  13           HA       ASP  13  -3.342  -2.671  -2.600
  100   1HB   ASP  13          2HB       ASP  13  -4.441  -3.690  -5.234
  101   2HB   ASP  13          1HB       ASP  13  -2.802  -3.927  -4.617
  102    H    ASN  14           H        ASN  14  -5.625  -1.241  -4.882
  103    HA   ASN  14           HA       ASN  14  -3.549   0.484  -6.090
  104   1HB   ASN  14          2HB       ASN  14  -5.306   1.061  -7.613
  105   2HB   ASN  14          1HB       ASN  14  -5.493  -0.662  -7.279
  106   1HD2  ASN  14          1HD2      ASN  14  -7.448  -1.346  -6.303
  107   2HD2  ASN  14          2HD2      ASN  14  -8.668  -0.283  -5.792
  108    H    ASP  15           H        ASP  15  -4.914   0.695  -3.156
  109    HA   ASP  15           HA       ASP  15  -5.946   3.438  -3.267
  110   1HB   ASP  15          2HB       ASP  15  -6.110   1.201  -1.607
  111   2HB   ASP  15          1HB       ASP  15  -5.389   2.469  -0.626
  112    H    CYS  16           H        CYS  16  -2.907   1.894  -2.731
  113    HA   CYS  16           HA       CYS  16  -1.622   4.062  -1.202
  114   1HB   CYS  16          2HB       CYS  16  -0.457   1.796  -2.869
  115   2HB   CYS  16          1HB       CYS  16   0.308   2.621  -1.512
  116    H    CYS  17           H        CYS  17   0.331   5.158  -2.222
  117    HA   CYS  17           HA       CYS  17  -0.377   6.349  -4.804
  118   1HB   CYS  17          2HB       CYS  17   1.937   6.654  -2.863
  119   2HB   CYS  17          1HB       CYS  17   1.714   7.662  -4.297
  120    H    GLY  18           H        GLY  18   1.461   3.658  -3.710
  121   1HA   GLY  18          2HA       GLY  18   3.167   3.673  -6.147
  122   2HA   GLY  18          1HA       GLY  18   3.352   2.583  -4.769
  123    H    LYS  19           H        LYS  19   0.151   2.608  -5.122
  124    HA   LYS  19           HA       LYS  19  -1.406   1.139  -6.129
  125   1HB   LYS  19          2HB       LYS  19   0.727   0.831  -8.262
  126   2HB   LYS  19          1HB       LYS  19  -1.016   0.659  -8.454
  127   1HG   LYS  19          2HG       LYS  19  -0.917   3.181  -7.482
  128   2HG   LYS  19          1HG       LYS  19   0.633   3.122  -8.322
  129   1HD   LYS  19          2HD       LYS  19  -0.387   3.289 -10.322
  130   2HD   LYS  19          1HD       LYS  19  -1.414   1.901  -9.953
  131   1HE   LYS  19          2HE       LYS  19  -2.906   3.438  -8.623
  132   2HE   LYS  19          1HE       LYS  19  -1.937   4.801  -9.217
  133   1HZ   LYS  19          1HZ       LYS  19  -3.992   4.001 -10.575
  134   2HZ   LYS  19          2HZ       LYS  19  -2.929   2.793 -11.124
  135   3HZ   LYS  19          3HZ       LYS  19  -2.563   4.431 -11.383
  136    H    LYS  20           H        LYS  20   1.289   0.306  -4.646
  137    HA   LYS  20           HA       LYS  20   0.926  -2.620  -5.149
  138   1HB   LYS  20          2HB       LYS  20   3.179  -0.937  -5.575
  139   2HB   LYS  20          1HB       LYS  20   3.551  -1.940  -4.173
  140   1HG   LYS  20          2HG       LYS  20   2.436  -3.802  -5.800
  141   2HG   LYS  20          1HG       LYS  20   3.149  -2.725  -7.002
  142   1HD   LYS  20          2HD       LYS  20   4.947  -3.224  -4.750
  143   2HD   LYS  20          1HD       LYS  20   4.501  -4.705  -5.598
  144   1HE   LYS  20          2HE       LYS  20   6.362  -3.967  -6.841
  145   2HE   LYS  20          1HE       LYS  20   5.014  -3.269  -7.761
  146   1HZ   LYS  20          1HZ       LYS  20   6.758  -1.624  -7.162
  147   2HZ   LYS  20          2HZ       LYS  20   6.391  -1.885  -5.523
  148   3HZ   LYS  20          3HZ       LYS  20   5.220  -1.230  -6.564
  149    H    CYS  21           H        CYS  21  -0.617  -2.400  -3.270
  150    HA   CYS  21           HA       CYS  21   0.498  -1.651  -0.677
  151   1HB   CYS  21          2HB       CYS  21  -1.944  -1.545  -1.600
  152   2HB   CYS  21          1HB       CYS  21  -2.023  -3.246  -1.135
  153    H    LYS  22           H        LYS  22  -0.189  -3.704   1.054
  154    HA   LYS  22           HA       LYS  22   0.741  -6.267  -0.089
  155   1HB   LYS  22          2HB       LYS  22   2.697  -4.637   0.439
  156   2HB   LYS  22          1HB       LYS  22   2.352  -5.020   2.127
  157   1HG   LYS  22          2HG       LYS  22   2.740  -7.193   0.066
  158   2HG   LYS  22          1HG       LYS  22   4.109  -6.482   0.923
  159   1HD   LYS  22          2HD       LYS  22   2.175  -7.032   2.899
  160   2HD   LYS  22          1HD       LYS  22   2.212  -8.455   1.857
  161   1HE   LYS  22          2HE       LYS  22   4.156  -9.100   2.819
  162   2HE   LYS  22          1HE       LYS  22   4.918  -7.584   2.294
  163   1HZ   LYS  22          1HZ       LYS  22   4.726  -7.996   4.797
  164   2HZ   LYS  22          2HZ       LYS  22   3.073  -7.661   4.602
  165   3HZ   LYS  22          3HZ       LYS  22   4.233  -6.482   4.211
  166    H    ARG  23           H        ARG  23  -0.830  -7.549   0.805
  167    HA   ARG  23           HA       ARG  23  -1.948  -7.159   3.460
  168   1HB   ARG  23          2HB       ARG  23  -3.407  -8.852   2.784
  169   2HB   ARG  23          1HB       ARG  23  -2.913  -8.175   1.236
  170   1HG   ARG  23          2HG       ARG  23  -2.359 -10.306   0.686
  171   2HG   ARG  23          1HG       ARG  23  -0.950 -10.066   1.714
  172   1HD   ARG  23          2HD       ARG  23  -1.835 -11.963   2.722
  173   2HD   ARG  23          1HD       ARG  23  -2.747 -10.730   3.615
  174    HE   ARG  23           HE       ARG  23  -4.007 -11.438   1.088
  175   1HH1  ARG  23          1HH2      ARG  23  -3.588 -14.013   2.657
  176   2HH1  ARG  23          2HH2      ARG  23  -5.073 -14.111   3.544
  177   1HH2  ARG  23          1HH1      ARG  23  -5.926 -10.794   2.987
  178   2HH2  ARG  23          2HH1      ARG  23  -6.399 -12.284   3.731
  179    H    ARG  24           H        ARG  24  -1.987  -9.374   4.838
  180    HA   ARG  24           HA       ARG  24   0.860 -10.001   5.392
  181   1HB   ARG  24          2HB       ARG  24  -1.755 -10.051   6.781
  182   2HB   ARG  24          1HB       ARG  24  -0.644 -11.343   7.240
  183   1HG   ARG  24          2HG       ARG  24   1.039  -9.807   7.912
  184   2HG   ARG  24          1HG       ARG  24   0.242  -8.459   7.102
  185   1HD   ARG  24          2HD       ARG  24  -0.923  -7.996   8.986
  186   2HD   ARG  24          1HD       ARG  24  -1.584  -9.644   9.002
  187    HE   ARG  24           HE       ARG  24   0.708  -8.723  10.551
  188   1HH1  ARG  24          1HH2      ARG  24  -1.076 -10.782  11.622
  189   2HH1  ARG  24          2HH2      ARG  24  -0.176 -12.245  11.406
  190   1HH2  ARG  24          1HH1      ARG  24   2.015 -10.867   9.099
  191   2HH2  ARG  24          2HH1      ARG  24   1.576 -12.294   9.976
  192    H    GLY  25           H        GLY  25   0.461 -11.146   3.039
  193   1HA   GLY  25          2HA       GLY  25   0.847 -13.920   3.400
  194   2HA   GLY  25          1HA       GLY  25  -0.858 -13.691   3.007
  195    H    THR  26           H        THR  26  -1.370 -12.612   0.953
  196    HA   THR  26           HA       THR  26   0.871 -12.539  -1.021
  197    HB   THR  26           HB       THR  26   0.008 -14.745  -1.257
  198    HG1  THR  26           1HG      THR  26   0.034 -14.054  -3.277
  199   1HG2  THR  26          1HG2      THR  26  -2.438 -15.190  -1.386
  200   2HG2  THR  26          2HG2      THR  26  -2.741 -13.484  -1.053
  201   3HG2  THR  26          3HG2      THR  26  -1.963 -14.496   0.165
  202    H    ASN  27           H        ASN  27   0.126 -10.156  -0.384
  203    HA   ASN  27           HA       ASN  27  -0.864  -8.156  -1.156
  204   1HB   ASN  27          2HB       ASN  27  -1.933  -9.629  -3.524
  205   2HB   ASN  27          1HB       ASN  27  -1.108  -8.076  -3.454
  206   1HD2  ASN  27          1HD2      ASN  27   1.238  -8.929  -1.979
  207   2HD2  ASN  27          2HD2      ASN  27   2.125  -9.973  -2.979
  208    H    ALA  28           H        ALA  28  -2.862  -7.176  -0.852
  209    HA   ALA  28           HA       ALA  28  -5.410  -8.249  -1.434
  210   1HB   ALA  28          1HB       ALA  28  -5.824  -9.725   0.229
  211   2HB   ALA  28          2HB       ALA  28  -5.262  -8.587   1.452
  212   3HB   ALA  28          3HB       ALA  28  -4.109  -9.632   0.625
  213    H    GLU  29           H        GLU  29  -4.168  -6.845   1.615
  214    HA   GLU  29           HA       GLU  29  -4.751  -4.132   1.031
  215   1HB   GLU  29          2HB       GLU  29  -7.021  -4.116   2.299
  216   2HB   GLU  29          1HB       GLU  29  -7.004  -4.679   0.632
  217   1HG   GLU  29          2HG       GLU  29  -7.558  -6.799   1.222
  218   2HG   GLU  29          1HG       GLU  29  -6.441  -6.800   2.587
  219    H    LYS  30           H        LYS  30  -2.730  -4.978   2.644
  220    HA   LYS  30           HA       LYS  30  -3.708  -4.637   5.435
  221   1HB   LYS  30          2HB       LYS  30  -1.329  -5.862   4.198
  222   2HB   LYS  30          1HB       LYS  30  -1.167  -5.185   5.805
  223   1HG   LYS  30          2HG       LYS  30  -1.878  -7.685   5.580
  224   2HG   LYS  30          1HG       LYS  30  -2.710  -6.662   6.744
  225   1HD   LYS  30          2HD       LYS  30  -4.526  -6.274   5.118
  226   2HD   LYS  30          1HD       LYS  30  -3.700  -7.299   3.945
  227   1HE   LYS  30          2HE       LYS  30  -4.498  -9.185   4.921
  228   2HE   LYS  30          1HE       LYS  30  -3.998  -8.632   6.532
  229   1HZ   LYS  30          1HZ       LYS  30  -5.933  -6.951   6.191
  230   2HZ   LYS  30          2HZ       LYS  30  -6.273  -8.530   6.717
  231   3HZ   LYS  30          3HZ       LYS  30  -6.506  -8.107   5.088
  232    H    ARG  31           H        ARG  31  -0.519  -3.854   4.231
  233    HA   ARG  31           HA       ARG  31  -1.034  -0.952   4.814
  234   1HB   ARG  31          2HB       ARG  31   0.991  -2.910   5.795
  235   2HB   ARG  31          1HB       ARG  31   1.572  -1.278   5.460
  236   1HG   ARG  31          2HG       ARG  31  -0.884  -0.979   6.830
  237   2HG   ARG  31          1HG       ARG  31   0.025  -2.211   7.704
  238   1HD   ARG  31          2HD       ARG  31   1.715  -0.744   8.293
  239   2HD   ARG  31          1HD       ARG  31   1.503   0.245   6.835
  240    HE   ARG  31           HE       ARG  31  -0.012   1.539   8.091
  241   1HH1  ARG  31          1HH1      ARG  31   0.942  -0.594  10.330
  242   2HH1  ARG  31          2HH1      ARG  31  -0.595  -0.845  11.088
  243   1HH2  ARG  31          1HH2      ARG  31  -2.388   0.744   8.578
  244   2HH2  ARG  31          2HH2      ARG  31  -2.483  -0.087  10.095
  245    H    CYS  32           H        CYS  32  -0.054   0.484   3.338
  246    HA   CYS  32           HA       CYS  32   0.625  -0.505   0.719
  247   1HB   CYS  32          2HB       CYS  32   1.132   2.157   2.083
  248   2HB   CYS  32          1HB       CYS  32   1.273   1.873   0.347
  249    H    ARG  33           H        ARG  33   2.688  -0.800  -0.250
  250    HA   ARG  33           HA       ARG  33   5.132  -0.126   1.296
  251   1HB   ARG  33          2HB       ARG  33   4.561  -2.996   0.480
  252   2HB   ARG  33          1HB       ARG  33   5.844  -2.411   1.536
  253   1HG   ARG  33          2HG       ARG  33   4.113  -1.676   3.175
  254   2HG   ARG  33          1HG       ARG  33   2.874  -2.371   2.133
  255   1HD   ARG  33          2HD       ARG  33   4.158  -4.582   2.307
  256   2HD   ARG  33          1HD       ARG  33   5.061  -3.822   3.633
  257    HE   ARG  33           HE       ARG  33   2.076  -3.774   3.717
  258   1HH1  ARG  33          1HH2      ARG  33   4.508  -3.178   5.739
  259   2HH1  ARG  33          2HH2      ARG  33   4.168  -4.414   6.903
  260   1HH2  ARG  33          1HH1      ARG  33   1.896  -6.066   4.875
  261   2HH2  ARG  33          2HH1      ARG  33   2.689  -6.048   6.413
  Start of MODEL   20
    1   1H    GLY   1          1HT       GLY   1  -1.516  12.086  -6.516
    2   2H    GLY   1          2HT       GLY   1  -2.512  13.460  -6.572
    3   3H    GLY   1          3HT       GLY   1  -1.925  12.776  -8.011
    4   1HA   GLY   1          2HA       GLY   1  -4.257  12.212  -7.653
    5   2HA   GLY   1          1HA       GLY   1  -3.221  10.785  -7.651
    6    H    ASP   2           H        ASP   2  -5.818  11.106  -6.317
    7    HA   ASP   2           HA       ASP   2  -5.344  11.414  -3.456
    8   1HB   ASP   2          2HB       ASP   2  -7.712  10.567  -3.385
    9   2HB   ASP   2          1HB       ASP   2  -7.491  11.928  -4.485
   10    H    CYS   3           H        CYS   3  -3.477   9.777  -3.474
   11    HA   CYS   3           HA       CYS   3  -4.558   6.993  -3.163
   12   1HB   CYS   3          2HB       CYS   3  -2.250   6.314  -3.931
   13   2HB   CYS   3          1HB       CYS   3  -3.187   7.177  -5.154
   14    H    LEU   4           H        LEU   4  -3.318   5.686  -1.553
   15    HA   LEU   4           HA       LEU   4  -2.656   7.292   0.819
   16   1HB   LEU   4          2HB       LEU   4  -2.354   4.303   0.516
   17   2HB   LEU   4          1HB       LEU   4  -2.805   5.218   1.949
   18    HG   LEU   4           HG       LEU   4  -4.490   4.619  -0.478
   19   1HD1  LEU   4          1HD1      LEU   4  -5.655   4.410   2.185
   20   2HD1  LEU   4          2HD1      LEU   4  -4.219   3.402   1.999
   21   3HD1  LEU   4          3HD1      LEU   4  -5.581   3.209   0.896
   22   1HD2  LEU   4          1HD2      LEU   4  -4.507   6.997   1.214
   23   2HD2  LEU   4          2HD2      LEU   4  -6.042   6.130   1.267
   24   3HD2  LEU   4          3HD2      LEU   4  -5.393   6.681  -0.277
   25    HA   PRO   5           HA       PRO   5   1.725   7.248   0.467
   26   1HB   PRO   5          2HB       PRO   5   2.499   6.587   3.009
   27   2HB   PRO   5          1HB       PRO   5   1.802   8.172   2.599
   28   1HG   PRO   5          2HG       PRO   5   0.454   5.755   3.732
   29   2HG   PRO   5          1HG       PRO   5   0.331   7.444   4.253
   30   1HD   PRO   5          2HD       PRO   5  -1.560   6.326   2.753
   31   2HD   PRO   5          1HD       PRO   5  -1.065   8.015   2.488
   32    H    HIS   6           H        HIS   6   3.700   5.721   0.944
   33    HA   HIS   6           HA       HIS   6   2.918   3.021   0.257
   34   1HB   HIS   6          2HB       HIS   6   4.631   4.069  -1.073
   35   2HB   HIS   6          1HB       HIS   6   5.535   4.511   0.375
   36    HD1  HIS   6           1HD      HIS   6   7.634   3.137  -0.201
   37    HD2  HIS   6           2HD      HIS   6   4.150   0.848  -0.086
   38    HE1  HIS   6           1HE      HIS   6   8.366   0.713  -0.244
   39    H    LEU   7           H        LEU   7   2.512   4.035   2.975
   40    HA   LEU   7           HA       LEU   7   3.607   1.813   4.417
   41   1HB   LEU   7          2HB       LEU   7   4.816   4.482   4.434
   42   2HB   LEU   7          1HB       LEU   7   4.493   3.849   6.048
   43    HG   LEU   7           HG       LEU   7   6.132   2.540   3.863
   44   1HD1  LEU   7          1HD1      LEU   7   7.701   3.799   4.921
   45   2HD1  LEU   7          2HD1      LEU   7   7.590   2.572   6.185
   46   3HD1  LEU   7          3HD1      LEU   7   6.669   4.071   6.325
   47   1HD2  LEU   7          1HD2      LEU   7   6.476   0.852   5.860
   48   2HD2  LEU   7          2HD2      LEU   7   5.063   0.692   4.817
   49   3HD2  LEU   7          3HD2      LEU   7   4.911   1.468   6.393
   50    H    LYS   8           H        LYS   8   0.938   2.495   3.981
   51    HA   LYS   8           HA       LYS   8   0.046   3.026   6.762
   52   1HB   LYS   8          2HB       LYS   8   0.228   5.197   5.500
   53   2HB   LYS   8          1HB       LYS   8  -0.963   4.576   4.357
   54   1HG   LYS   8          2HG       LYS   8  -2.310   5.761   5.856
   55   2HG   LYS   8          1HG       LYS   8  -2.394   4.124   6.510
   56   1HD   LYS   8          2HD       LYS   8  -0.488   4.703   8.037
   57   2HD   LYS   8          1HD       LYS   8  -0.589   6.366   7.460
   58   1HE   LYS   8          2HE       LYS   8  -2.568   6.778   8.578
   59   2HE   LYS   8          1HE       LYS   8  -3.118   5.096   8.436
   60   1HZ   LYS   8          1HZ       LYS   8  -1.244   6.283  10.357
   61   2HZ   LYS   8          2HZ       LYS   8  -0.977   4.679   9.868
   62   3HZ   LYS   8          3HZ       LYS   8  -2.444   5.110  10.608
   63    H    ARG   9           H        ARG   9  -1.817   1.862   7.232
   64    HA   ARG   9           HA       ARG   9  -2.680  -0.339   5.806
   65   1HB   ARG   9          2HB       ARG   9  -3.399   1.004   8.087
   66   2HB   ARG   9          1HB       ARG   9  -4.836   1.235   7.091
   67   1HG   ARG   9          2HG       ARG   9  -3.838  -1.501   6.934
   68   2HG   ARG   9          1HG       ARG   9  -4.226  -1.036   8.591
   69   1HD   ARG   9          2HD       ARG   9  -6.418  -1.347   8.114
   70   2HD   ARG   9          1HD       ARG   9  -6.317  -0.022   6.937
   71    HE   ARG   9           HE       ARG   9  -5.137  -2.276   5.717
   72   1HH1  ARG   9          1HH2      ARG   9  -8.104  -0.724   6.289
   73   2HH1  ARG   9          2HH2      ARG   9  -9.065  -1.930   5.503
   74   1HH2  ARG   9          1HH1      ARG   9  -6.402  -4.090   4.988
   75   2HH2  ARG   9          2HH1      ARG   9  -8.100  -3.839   4.766
   76    H    CYS  10           H        CYS  10  -3.806  -0.655   3.916
   77    HA   CYS  10           HA       CYS  10  -5.176   1.733   2.710
   78   1HB   CYS  10          2HB       CYS  10  -4.322   1.000   0.592
   79   2HB   CYS  10          1HB       CYS  10  -2.974   0.893   1.723
   80    H    LYS  11           H        LYS  11  -7.034   1.193   1.323
   81    HA   LYS  11           HA       LYS  11  -8.545  -1.144   2.361
   82   1HB   LYS  11          2HB       LYS  11  -9.173   1.366   0.799
   83   2HB   LYS  11          1HB       LYS  11 -10.371   0.088   1.007
   84   1HG   LYS  11          2HG       LYS  11 -10.858   1.368   2.867
   85   2HG   LYS  11          1HG       LYS  11  -9.628   0.309   3.558
   86   1HD   LYS  11          2HD       LYS  11  -8.283   2.067   3.959
   87   2HD   LYS  11          1HD       LYS  11  -8.345   2.535   2.259
   88   1HE   LYS  11          2HE       LYS  11 -10.321   3.864   2.605
   89   2HE   LYS  11          1HE       LYS  11 -10.546   3.208   4.238
   90   1HZ   LYS  11          1HZ       LYS  11  -9.355   5.030   4.805
   91   2HZ   LYS  11          2HZ       LYS  11  -8.621   5.174   3.279
   92   3HZ   LYS  11          3HZ       LYS  11  -8.039   4.041   4.403
   93    H    ALA  12           H        ALA  12  -6.837  -0.099  -0.480
   94    HA   ALA  12           HA       ALA  12  -7.521  -2.655  -1.822
   95   1HB   ALA  12          1HB       ALA  12  -8.618  -0.042  -2.446
   96   2HB   ALA  12          2HB       ALA  12  -9.044  -1.612  -3.128
   97   3HB   ALA  12          3HB       ALA  12  -7.717  -0.680  -3.822
   98    H    ASP  13           H        ASP  13  -6.075  -3.029  -3.714
   99    HA   ASP  13           HA       ASP  13  -3.352  -2.504  -3.164
  100   1HB   ASP  13          2HB       ASP  13  -4.771  -3.281  -5.729
  101   2HB   ASP  13          1HB       ASP  13  -3.042  -3.487  -5.426
  102    H    ASN  14           H        ASN  14  -5.621  -0.882  -5.384
  103    HA   ASN  14           HA       ASN  14  -3.546   0.911  -6.437
  104   1HB   ASN  14          2HB       ASN  14  -6.563   1.053  -6.690
  105   2HB   ASN  14          1HB       ASN  14  -5.362   1.719  -7.799
  106   1HD2  ASN  14          1HD2      ASN  14  -4.143   0.184  -9.150
  107   2HD2  ASN  14          2HD2      ASN  14  -4.709  -1.398  -9.392
  108    H    ASP  15           H        ASP  15  -5.380   0.850  -3.592
  109    HA   ASP  15           HA       ASP  15  -6.130   3.574  -3.270
  110   1HB   ASP  15          2HB       ASP  15  -6.090   1.175  -1.831
  111   2HB   ASP  15          1HB       ASP  15  -5.323   2.379  -0.800
  112    H    CYS  16           H        CYS  16  -3.111   1.879  -2.545
  113    HA   CYS  16           HA       CYS  16  -1.807   4.147  -1.253
  114   1HB   CYS  16          2HB       CYS  16  -0.746   1.611  -2.563
  115   2HB   CYS  16          1HB       CYS  16   0.137   2.629  -1.419
  116    H    CYS  17           H        CYS  17   0.120   5.211  -2.200
  117    HA   CYS  17           HA       CYS  17  -0.343   6.079  -4.951
  118   1HB   CYS  17          2HB       CYS  17   1.848   6.630  -2.915
  119   2HB   CYS  17          1HB       CYS  17   1.623   7.526  -4.422
  120    H    GLY  18           H        GLY  18   1.324   3.468  -3.518
  121   1HA   GLY  18          2HA       GLY  18   3.305   3.332  -5.737
  122   2HA   GLY  18          1HA       GLY  18   3.311   2.313  -4.293
  123    H    LYS  19           H        LYS  19   0.177   2.351  -4.975
  124    HA   LYS  19           HA       LYS  19  -1.285   0.790  -5.965
  125   1HB   LYS  19          2HB       LYS  19  -0.138   2.020  -7.934
  126   2HB   LYS  19          1HB       LYS  19   0.850   0.567  -8.100
  127   1HG   LYS  19          2HG       LYS  19  -1.075  -0.802  -8.509
  128   2HG   LYS  19          1HG       LYS  19  -2.173   0.496  -8.041
  129   1HD   LYS  19          2HD       LYS  19  -2.222   1.221 -10.168
  130   2HD   LYS  19          1HD       LYS  19  -0.480   1.495 -10.112
  131   1HE   LYS  19          2HE       LYS  19  -0.044  -0.808 -10.801
  132   2HE   LYS  19          1HE       LYS  19  -1.777  -1.185 -10.734
  133   1HZ   LYS  19          1HZ       LYS  19  -2.205   0.492 -12.389
  134   2HZ   LYS  19          2HZ       LYS  19  -1.041  -0.587 -12.991
  135   3HZ   LYS  19          3HZ       LYS  19  -0.571   0.944 -12.422
  136    H    LYS  20           H        LYS  20   1.243   0.010  -4.338
  137    HA   LYS  20           HA       LYS  20   1.098  -2.911  -4.963
  138   1HB   LYS  20          2HB       LYS  20   3.304  -1.069  -5.144
  139   2HB   LYS  20          1HB       LYS  20   3.642  -2.243  -3.871
  140   1HG   LYS  20          2HG       LYS  20   2.546  -3.774  -5.930
  141   2HG   LYS  20          1HG       LYS  20   3.590  -2.620  -6.760
  142   1HD   LYS  20          2HD       LYS  20   4.789  -3.750  -4.325
  143   2HD   LYS  20          1HD       LYS  20   4.459  -4.950  -5.576
  144   1HE   LYS  20          2HE       LYS  20   5.580  -2.569  -6.783
  145   2HE   LYS  20          1HE       LYS  20   6.648  -3.167  -5.497
  146   1HZ   LYS  20          1HZ       LYS  20   7.176  -4.417  -7.415
  147   2HZ   LYS  20          2HZ       LYS  20   5.542  -4.684  -7.794
  148   3HZ   LYS  20          3HZ       LYS  20   6.238  -5.444  -6.443
  149    H    CYS  21           H        CYS  21  -0.609  -2.188  -3.107
  150    HA   CYS  21           HA       CYS  21   0.565  -1.848  -0.458
  151   1HB   CYS  21          2HB       CYS  21  -1.719  -1.084  -1.408
  152   2HB   CYS  21          1HB       CYS  21  -2.245  -2.742  -1.106
  153    H    LYS  22           H        LYS  22   1.149  -3.577   0.914
  154    HA   LYS  22           HA       LYS  22   0.854  -6.314  -0.174
  155   1HB   LYS  22          2HB       LYS  22   2.941  -5.151   0.866
  156   2HB   LYS  22          1HB       LYS  22   2.184  -5.533   2.413
  157   1HG   LYS  22          2HG       LYS  22   2.016  -7.862   0.782
  158   2HG   LYS  22          1HG       LYS  22   3.674  -7.269   0.685
  159   1HD   LYS  22          2HD       LYS  22   3.370  -6.994   3.308
  160   2HD   LYS  22          1HD       LYS  22   2.146  -8.242   3.068
  161   1HE   LYS  22          2HE       LYS  22   5.101  -8.399   2.399
  162   2HE   LYS  22          1HE       LYS  22   4.175  -9.441   3.496
  163   1HZ   LYS  22          1HZ       LYS  22   2.715  -9.779   1.381
  164   2HZ   LYS  22          2HZ       LYS  22   4.134 -10.691   1.591
  165   3HZ   LYS  22          3HZ       LYS  22   4.133  -9.341   0.561
  166    H    ARG  23           H        ARG  23   0.131  -8.052   1.247
  167    HA   ARG  23           HA       ARG  23  -1.742  -7.357   3.437
  168   1HB   ARG  23          2HB       ARG  23  -2.856  -7.551   1.177
  169   2HB   ARG  23          1HB       ARG  23  -2.290  -9.221   1.123
  170   1HG   ARG  23          2HG       ARG  23  -3.692  -8.394   3.595
  171   2HG   ARG  23          1HG       ARG  23  -4.689  -8.529   2.152
  172   1HD   ARG  23          2HD       ARG  23  -2.789 -10.766   2.597
  173   2HD   ARG  23          1HD       ARG  23  -4.120 -10.646   3.759
  174    HE   ARG  23           HE       ARG  23  -4.518 -10.784   0.795
  175   1HH1  ARG  23          1HH2      ARG  23  -5.000 -13.257   2.366
  176   2HH1  ARG  23          2HH2      ARG  23  -6.698 -13.172   2.696
  177   1HH2  ARG  23          1HH1      ARG  23  -6.944  -9.796   1.945
  178   2HH2  ARG  23          2HH1      ARG  23  -7.799 -11.214   2.458
  179    H    ARG  24           H        ARG  24  -2.427  -9.580   4.500
  180    HA   ARG  24           HA       ARG  24   0.017 -11.184   4.918
  181   1HB   ARG  24          2HB       ARG  24  -1.223 -12.088   6.769
  182   2HB   ARG  24          1HB       ARG  24  -1.653 -10.380   6.699
  183   1HG   ARG  24          2HG       ARG  24  -3.820 -10.918   6.426
  184   2HG   ARG  24          1HG       ARG  24  -3.427 -11.836   4.977
  185   1HD   ARG  24          2HD       ARG  24  -2.852 -13.801   6.396
  186   2HD   ARG  24          1HD       ARG  24  -3.341 -12.875   7.830
  187    HE   ARG  24           HE       ARG  24  -5.175 -13.679   5.614
  188   1HH1  ARG  24          1HH1      ARG  24  -5.485 -11.095   7.434
  189   2HH1  ARG  24          2HH1      ARG  24  -6.727 -11.666   8.497
  190   1HH2  ARG  24          1HH2      ARG  24  -6.391 -14.981   7.549
  191   2HH2  ARG  24          2HH2      ARG  24  -7.239 -13.863   8.562
  192    H    GLY  25           H        GLY  25  -0.749 -11.442   2.312
  193   1HA   GLY  25          2HA       GLY  25  -0.715 -13.910   1.408
  194   2HA   GLY  25          1HA       GLY  25  -2.344 -13.944   2.092
  195    H    THR  26           H        THR  26  -1.308 -13.998  -0.797
  196    HA   THR  26           HA       THR  26  -1.729 -12.901  -2.852
  197    HB   THR  26           HB       THR  26  -3.951 -13.270  -3.270
  198    HG1  THR  26           1HG      THR  26  -5.573 -12.403  -2.056
  199   1HG2  THR  26          1HG2      THR  26  -3.743 -14.340  -0.448
  200   2HG2  THR  26          2HG2      THR  26  -3.271 -15.192  -1.918
  201   3HG2  THR  26          3HG2      THR  26  -4.968 -14.811  -1.626
  202    H    ASN  27           H        ASN  27  -0.666 -11.122  -0.928
  203    HA   ASN  27           HA       ASN  27  -0.858  -8.827  -0.129
  204   1HB   ASN  27          2HB       ASN  27  -0.499  -8.825  -3.137
  205   2HB   ASN  27          1HB       ASN  27   0.062  -7.573  -2.031
  206   1HD2  ASN  27          1HD2      ASN  27   0.666  -9.916  -0.033
  207   2HD2  ASN  27          2HD2      ASN  27   2.167 -10.497  -0.575
  208    H    ALA  28           H        ALA  28  -3.562  -9.399  -0.135
  209    HA   ALA  28           HA       ALA  28  -5.145  -7.981  -2.033
  210   1HB   ALA  28          1HB       ALA  28  -6.507  -7.819   0.368
  211   2HB   ALA  28          2HB       ALA  28  -5.423  -9.180   0.625
  212   3HB   ALA  28          3HB       ALA  28  -6.547  -9.199  -0.727
  213    H    GLU  29           H        GLU  29  -4.566  -6.851   1.332
  214    HA   GLU  29           HA       GLU  29  -3.546  -4.282   0.502
  215   1HB   GLU  29          2HB       GLU  29  -5.601  -2.974   0.809
  216   2HB   GLU  29          1HB       GLU  29  -5.840  -4.206  -0.428
  217   1HG   GLU  29          2HG       GLU  29  -6.451  -5.220   2.236
  218   2HG   GLU  29          1HG       GLU  29  -7.435  -3.814   1.828
  219    H    LYS  30           H        LYS  30  -2.365  -5.423   2.566
  220    HA   LYS  30           HA       LYS  30  -3.710  -4.897   5.109
  221   1HB   LYS  30          2HB       LYS  30  -1.079  -5.959   4.239
  222   2HB   LYS  30          1HB       LYS  30  -1.156  -5.198   5.813
  223   1HG   LYS  30          2HG       LYS  30  -1.889  -7.857   5.180
  224   2HG   LYS  30          1HG       LYS  30  -2.062  -7.035   6.721
  225   1HD   LYS  30          2HD       LYS  30  -4.295  -6.309   6.167
  226   2HD   LYS  30          1HD       LYS  30  -4.124  -6.872   4.507
  227   1HE   LYS  30          2HE       LYS  30  -5.166  -8.756   5.313
  228   2HE   LYS  30          1HE       LYS  30  -3.546  -9.163   5.904
  229   1HZ   LYS  30          1HZ       LYS  30  -5.771  -8.697   7.453
  230   2HZ   LYS  30          2HZ       LYS  30  -4.838  -7.289   7.620
  231   3HZ   LYS  30          3HZ       LYS  30  -4.170  -8.804   7.996
  232    H    ARG  31           H        ARG  31  -0.577  -3.751   3.979
  233    HA   ARG  31           HA       ARG  31  -1.359  -0.939   4.620
  234   1HB   ARG  31          2HB       ARG  31   0.185  -2.638   6.247
  235   2HB   ARG  31          1HB       ARG  31   1.359  -1.604   5.431
  236   1HG   ARG  31          2HG       ARG  31   0.189   0.395   6.179
  237   2HG   ARG  31          1HG       ARG  31  -1.097  -0.583   6.886
  238   1HD   ARG  31          2HD       ARG  31   0.209  -1.245   8.686
  239   2HD   ARG  31          1HD       ARG  31   1.722  -1.109   7.767
  240    HE   ARG  31           HE       ARG  31   0.514   1.478   7.946
  241   1HH1  ARG  31          1HH2      ARG  31   1.794  -0.940  10.038
  242   2HH1  ARG  31          2HH2      ARG  31   2.577   0.192  11.089
  243   1HH2  ARG  31          1HH1      ARG  31   1.657   2.968   9.228
  244   2HH2  ARG  31          2HH1      ARG  31   2.499   2.401  10.631
  245    H    CYS  32           H        CYS  32  -0.452   0.504   3.127
  246    HA   CYS  32           HA       CYS  32   0.480  -0.288   0.627
  247   1HB   CYS  32          2HB       CYS  32   1.384   2.135   2.218
  248   2HB   CYS  32          1HB       CYS  32   1.382   1.989   0.459
  249    H    ARG  33           H        ARG  33   2.309  -1.364  -0.023
  250    HA   ARG  33           HA       ARG  33   4.874  -0.891   1.383
  251   1HB   ARG  33          2HB       ARG  33   3.247  -3.429   1.411
  252   2HB   ARG  33          1HB       ARG  33   5.001  -3.498   1.582
  253   1HG   ARG  33          2HG       ARG  33   4.683  -1.714   3.435
  254   2HG   ARG  33          1HG       ARG  33   2.984  -2.190   3.405
  255   1HD   ARG  33          2HD       ARG  33   4.615  -4.568   3.438
  256   2HD   ARG  33          1HD       ARG  33   5.098  -3.503   4.772
  257    HE   ARG  33           HE       ARG  33   2.193  -3.723   4.449
  258   1HH1  ARG  33          1HH2      ARG  33   4.705  -5.823   5.310
  259   2HH1  ARG  33          2HH2      ARG  33   4.046  -6.245   6.856
  260   1HH2  ARG  33          1HH1      ARG  33   1.476  -3.921   6.689
  261   2HH2  ARG  33          2HH1      ARG  33   2.218  -5.167   7.637