*HEADER    TOXIN                                   25-JUL-03   1Q2K              
*TITLE     SOLUTION STRUCTURE OF BMBKTX1 A NEW POTASSIUM CHANNEL                 
*TITLE    2 BLOCKER FROM THE CHINESE SCORPION BUTHUS MARTENSI KARSCH             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NEUROTOXIN BMK37;                                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: BMBKTX1;                                                    
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SOLID PHASE PEPTIDE SYNTHESIS                         
*KEYWDS    ALPHA-HELIX, BETA-SHEET                                               
*EXPDTA    NMR, 21 STRUCTURES                                                    
*AUTHOR    Z.CAI, C.XU, Y.XU, W.LU, C.-W.CHI, Y.SHI, J.WU                        
*REVDAT   1   09-SEP-03 1Q2K    0                                                


==== NOE ===
assign (resid   9 and name ha  ) (resid  20 and name  ha#) 0.00 0.00 3.43 
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assign (resid  30 and name  hb2) (resid  30 and name  hd#) 0.00 0.00 2.72
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assign (resid  31 and name  hg#) (resid  31 and name  hn ) 0.00 0.00 3.25
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assign (resid   5 and name  ha ) (resid   8 and name  hb2) 0.00 0.00 3.16
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assign (resid   6 and name  ha ) (resid   9 and name  hb#) 0.00 0.00 2.93
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assign (resid  10 and name  hg*) (resid  11 and name  ha ) 0.00 0.00 4.13
assign (resid  12 and name  hb#) (resid  13 and name  hg*) 0.00 0.00 3.93
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assign (resid  13 and name  hg*) (resid  18 and name  ha ) 0.00 0.00 4.63
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assign (resid   4 and name  he#) (resid   6 and name  hb#) 0.00 0.00 4.53
assign (resid   4 and name  hb#) (resid   7 and name  hn ) 0.00 0.00 2.87
assign (resid   4 and name  hn ) (resid   7 and name  hb#) 0.00 0.00 3.45
assign (resid   7 and name  hb1) (resid   8 and name  hn ) 0.00 0.00 3.23
assign (resid   7 and name  hb2) (resid   8 and name  hn ) 0.00 0.00 3.23
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assign (resid   8 and name  hb1) (resid   9 and name  hn ) 0.00 0.00 2.82
assign (resid   9 and name  hb#) (resid  10 and name  hn ) 0.00 0.00 2.71
assign (resid   9 and name  hb#) (resid  20 and name  hn ) 0.00 0.00 3.45
assign (resid   9 and name  hg#) (resid  20 and name  hn ) 0.00 0.00 3.04
assign (resid  10 and name  hb ) (resid  11 and name  hn ) 0.00 0.00 2.86
assign (resid  10 and name hg1#) (resid  11 and name  hn ) 0.00 0.00 3.98
assign (resid  10 and name hg2#) (resid  11 and name  hn ) 0.00 0.00 3.98
assign (resid  10 and name  hg*) (resid  13 and name  hn ) 0.00 0.00 5.00
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assign (resid  12 and name  hb#) (resid  20 and name  hn ) 0.00 0.00 4.12
assign (resid  12 and name  hb#) (resid  29 and name  ha ) 0.00 0.00 3.45
assign (resid  12 and name  hn ) (resid  13 and name  hg*) 0.00 0.00 4.68
assign (resid  13 and name  hb ) (resid  14 and name  hn ) 0.00 0.00 2.89
assign (resid  13 and name  hg*) (resid  14 and name  hn ) 0.00 0.00 3.65
assign (resid  14 and name  hb#) (resid  15 and name  hn ) 0.00 0.00 3.71
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assign (resid  17 and (name  hd# or name he# or name hz)) (resid  29 and name  hb1) 0.00 0.00 3.03
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assign (resid  19 and name  hn ) (resid  30 and name  hb2) 0.00 0.00 3.20
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assign (resid  21 and name  hg2) (resid  22 and name  hn ) 0.00 0.00 4.38
assign (resid  21 and name  hd#) (resid  22 and name  hn ) 0.00 0.00 4.23
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assign (resid  21 and name  hb#) (resid  30 and name  he#) 0.00 0.00 2.90
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assign (resid  23 and name hg2#) (resid  24 and name hd2#) 0.00 0.00 4.11
assign (resid  24 and name  hb1) (resid  25 and name  hn ) 0.00 0.00 3.25
assign (resid  24 and name  hb2) (resid  25 and name  hn ) 0.00 0.00 3.25
assign (resid  26 and name  hb#) (resid  27 and name  hn ) 0.00 0.00 3.50
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assign (resid  27 and name  hb2) (resid  28 and name  hn ) 0.00 0.00 4.17
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assign (resid  28 and name  hg#) (resid  30 and name  he#) 0.00 0.00 3.99
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assign (resid   5 and name  ha ) (resid  22 and name  hn ) 0.00 0.00 3.21
assign (resid   9 and name  ha ) (resid  12 and name  hn ) 0.00 0.00 3.51
assign (resid  12 and name  ha ) (resid  17 and (name  hd# or name he# or name hz)) 0.00 0.00 2.92
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assign (resid  17 and name  hb#) (resid  30 and name  hn ) 0.00 0.00 2.92
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assign (resid  19 and name  hb2) (resid  30 and name  hd#) 0.00 0.00 4.22
assign (resid  19 and name  hb#) (resid  30 and name  he#) 0.00 0.00 3.73
assign (resid  20 and name  ha#) (resid  30 and name  hd#) 0.00 0.00 2.78
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assign (resid  22 and name  ha ) (resid  26 and name  hn ) 0.00 0.00 4.17
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assign (resid   4 and name  ha ) (resid   5 and name  hn ) 0.00 0.00 3.28
assign (resid   5 and (name  ha or name hb#)) (resid   6 and name  hn ) 0.00 0.00 3.23
assign (resid   5 and name  ha ) (resid   7 and name  hn ) 0.00 0.00 4.37
assign (resid   5 and name  ha ) (resid   8 and name  hn ) 0.00 0.00 3.57
assign (resid   6 and name  ha ) (resid   7 and name  hn ) 0.00 0.00 3.73
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assign (resid   6 and name  ha ) (resid   9 and name  hn ) 0.00 0.00 3.60
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assign (resid   7 and name  ha ) (resid  10 and name  hn ) 0.00 0.00 3.35
assign (resid   8 and name  ha ) (resid   9 and name  hn ) 0.00 0.00 3.50
assign (resid  10 and name  ha ) (resid  13 and name  hn ) 0.00 0.00 3.24
assign (resid  11 and name  ha ) (resid  12 and name  hn ) 0.00 0.00 3.40
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assign (resid  12 and name  ha ) (resid  13 and name  hn ) 0.00 0.00 3.56
assign (resid  12 and name  ha ) (resid  15 and name  hn ) 0.00 0.00 3.72
assign (resid  13 and name  ha ) (resid  14 and name  hn ) 0.00 0.00 3.50 
assign (resid  14 and name  ha ) (resid  15 and name  hn ) 0.00 0.00 3.57
assign (resid  17 and name  ha ) (resid  18 and name  hn ) 0.00 0.00 2.70
assign (resid  17 and name  hb#) (resid  18 and name  hn ) 0.00 0.00 2.42
assign (resid  18 and name  ha ) (resid  19 and name  hn ) 0.00 0.00 3.18
assign (resid  18 and name  hn ) (resid  31 and name  ha ) 0.00 0.00 2.92
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assign (resid  20 and name  ha#) (resid  21 and name  hn ) 0.00 0.00 2.30
assign (resid  20 and name  ha1) (resid  30 and name  hn ) 0.00 0.00 3.87
assign (resid  20 and name  ha2) (resid  30 and name  hn ) 0.00 0.00 3.87
assign (resid  22 and name  ha ) (resid  23 and name  hn ) 0.00 0.00 2.29
assign (resid  22 and name  ha ) (resid  28 and name  hn ) 0.00 0.00 4.00 
assign (resid  23 and name  hn ) (resid  27 and name  ha ) 0.00 0.00 3.70
assign (resid  25 and name  ha ) (resid  26 and name  hn ) 0.00 0.00 3.26
assign (resid  25 and name  hb#) (resid  26 and name  hn ) 0.00 0.00 3.90
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assign (resid  27 and name  ha ) (resid  28 and name  hn ) 0.00 0.00 2.31
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assign (resid   3 and name  hn ) (resid   4 and name  hn ) 0.00 0.00 5.10
assign (resid   4 and name  hn ) (resid   4 and name  hd#) 0.00 0.00 3.67
assign (resid   4 and name  hn ) (resid   7 and name  hn ) 0.00 0.00 5.52
assign (resid   4 and name  hn ) (resid   8 and name  hn ) 0.00 0.00 4.08
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assign (resid   7 and name  hn ) (resid   8 and name  hn ) 0.00 0.00 2.90
assign (resid   7 and name  hn ) (resid   9 and name  hn ) 0.00 0.00 4.47
assign (resid   8 and name  hn ) (resid  10 and name  hn ) 0.00 0.00 4.26
assign (resid   9 and name  hn ) (resid  10 and name  hn ) 0.00 0.00 2.94
assign (resid  10 and name  hn ) (resid  11 and name  hn ) 0.00 0.00 2.94
assign (resid  10 and name  hn ) (resid  12 and name  hn ) 0.00 0.00 4.06
assign (resid  11 and name  hn ) (resid  12 and name  hn ) 0.00 0.00 2.74
assign (resid  12 and name  hn ) (resid  13 and name  hn ) 0.00 0.00 2.68
assign (resid  13 and name  hn ) (resid  14 and name  hn ) 0.00 0.00 2.84
assign (resid  13 and name  hn ) (resid  15 and name  hn ) 0.00 0.00 3.94
assign (resid  14 and name  hn ) (resid  15 and name  hn ) 0.00 0.00 2.74
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assign (resid  17 and (name  hd# or name he# or name hz)) (resid  30 and name  hn ) 0.00 0.00 3.91
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assign (resid  21 and name  hn ) (resid  30 and name  hn ) 0.00 0.00 5.00 
assign (resid  21 and name  hn ) (resid  30 and name  he#) 0.00 0.00 3.59
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assign (resid  23 and name  hn ) (resid  25 and name  hn ) 0.00 0.00 3.80
assign (resid  23 and name  hn ) (resid  26 and name  hn ) 0.00 0.00 3.04
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assign (resid  24 and name  hn ) (resid  26 and name  hn ) 0.00 0.00 5.50
assign (resid  25 and name  hn ) (resid  26 and name  hn ) 0.00 0.00 3.04
assign (resid  26 and name  hn ) (resid  27 and name  hn ) 0.00 0.00 4.28
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assign (resid  30 and name  hn ) (resid  30 and name  hd#) 0.00 0.00 3.25
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assign (resid   8 and name hb2 ) (resid   8 and name  hn ) 0.00 0.00 2.69
assign (resid   9 and name ha  ) (resid   9 and name  hn ) 0.00 0.00 2.88
assign (resid   9 and name hb# ) (resid   9 and name  he ) 0.00 0.00 3.80
assign (resid   9 and name hg# ) (resid   9 and name  he ) 0.00 0.00 4.14
assign (resid   9 and name hd# ) (resid   9 and name  hn ) 0.00 0.00 4.63
assign (resid   9 and name hd1 ) (resid   9 and name  he ) 0.00 0.00 3.86
assign (resid   9 and name hd2 ) (resid   9 and name  he ) 0.00 0.00 3.86
assign (resid   9 and name ha  ) (resid  20 and name  hn ) 0.00 0.00 2.78
assign (resid  10 and name ha  ) (resid  10 and name  hn ) 0.00 0.00 3.03
assign (resid  11 and name ha  ) (resid  11 and name  hn ) 0.00 0.00 3.01
assign (resid  12 and name ha  ) (resid  12 and name  hn ) 0.00 0.00 2.94
assign (resid  12 and name hb# ) (resid  12 and name  hn ) 0.00 0.00 2.44
assign (resid  13 and name ha  ) (resid  13 and name  hn ) 0.00 0.00 3.00 
assign (resid  14 and name ha  ) (resid  14 and name  hn ) 0.00 0.00 2.94
assign (resid  15 and name ha  ) (resid  15 and name  hn ) 0.00 0.00 3.10
assign (resid  15 and name hb# ) (resid  15 and name  hn ) 0.00 0.00 3.00 
assign (resid  15 and name hg# ) (resid  15 and name  hn ) 0.00 0.00 2.82
assign (resid  17 and name ha  ) (resid  17 and name  hn ) 0.00 0.00 3.00
assign (resid  17 and name hb# ) (resid  17 and name  hn ) 0.00 0.00 3.00 
assign (resid  18 and name hb# ) (resid  18 and name  hn ) 0.00 0.00 2.75
assign (resid  19 and name ha  ) (resid  19 and name  hn ) 0.00 0.00 2.80
assign (resid  21 and name ha  ) (resid  21 and name  hn ) 0.00 0.00 3.08
assign (resid  21 and name hn  ) (resid  27 and name  hb#) 0.00 0.00 5.00 
assign (resid  22 and name ha  ) (resid  22 and name  hn ) 0.00 0.00 3.20
assign (resid  22 and name hb# ) (resid  22 and name  hn ) 0.00 0.00 2.46
assign (resid  23 and name ha  ) (resid  23 and name  hn ) 0.00 0.00 3.28
assign (resid  23 and name hn  ) (resid  25 and name  ha ) 0.00 0.00 5.50
assign (resid  24 and name ha  ) (resid  24 and name  hn ) 0.00 0.00 2.52
assign (resid  24 and name hn  ) (resid  25 and name  ha ) 0.00 0.00 5.55
assign (resid  25 and name ha  ) (resid  25 and name  hn ) 0.00 0.00 2.70
assign (resid  25 and name hb# ) (resid  25 and name  hn ) 0.00 0.00 3.21
assign (resid  26 and name ha  ) (resid  26 and name  hn ) 0.00 0.00 3.09
assign (resid  27 and name ha  ) (resid  27 and name  hn ) 0.00 0.00 3.08
assign (resid  27 and name hb1 ) (resid  27 and name  hn ) 0.00 0.00 3.00 
assign (resid  27 and name hb2 ) (resid  27 and name  hn ) 0.00 0.00 3.00 
assign (resid  28 and name ha  ) (resid  28 and name  hn ) 0.00 0.00 3.12
assign (resid  29 and name ha  ) (resid  29 and name  hn ) 0.00 0.00 3.15
assign (resid  31 and name ha  ) (resid  31 and name  hn ) 0.00 0.00 2.97

=== HBOND ===
assign (resid  10 and name   hn) (resid    6  and name  o) 1.80 0.20 0.60
assign (resid  10 and name    n) (resid    6  and name  o) 2.70 0.30 0.60
assign (resid  11 and name   hn) (resid    7  and name  o) 1.80 0.20 0.60
assign (resid  11 and name    n) (resid    7  and name  o) 2.70 0.30 0.60
assign (resid  12 and name   hn) (resid    8  and name  o) 1.80 0.20 0.60
assign (resid  12 and name    n) (resid    8  and name  o) 2.70 0.30 0.60
assign (resid  13 and name   hn) (resid    9  and name  o) 1.80 0.20 0.60
assign (resid  13 and name    n) (resid    9  and name  o) 2.70 0.30 0.60
assign (resid  15 and name   hn) (resid    11 and name  o) 1.80 0.20 0.60
assign (resid  15 and name    n) (resid    11 and name  o) 2.70 0.30 0.60
assign (resid  21 and name   hn) (resid    28 and name  o) 1.80 0.20 0.60
assign (resid  21 and name    n) (resid    28 and name  o) 2.70 0.30 0.60
assign (resid  21 and name    o) (resid    28 and name hn) 1.80 0.20 0.60
assign (resid  21 and name    o) (resid    28 and name  n) 2.70 0.30 0.60

=== CDIH ===
assign (resid  1  and name c ) (resid  2  and name n )
       (resid  2  and name ca) (resid  2  and name c )   1.0  -65.0 25.0 2
assign (resid  2  and name c ) (resid  3  and name n )
       (resid  3  and name ca) (resid  3  and name c )   1.0 -120.0 35.0 2
assign (resid  3  and name c ) (resid  4  and name n )
       (resid  4  and name ca) (resid  4  and name c )   1.0 -120.0 25.0 2
assign (resid  5  and name c ) (resid  6  and name n )
       (resid  6  and name ca) (resid  6  and name c )   1.0  -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 )   1.0  -65.0 25.0 2
assign (resid  7  and name c ) (resid  8  and name n )
       (resid  8  and name ca) (resid  8  and name c )   1.0  -65.0 25.0 2
assign (resid  8  and name c ) (resid  9  and name n )
       (resid  9  and name ca) (resid  9  and name c )   1.0  -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 )   1.0  -65.0 25.0 2
assign (resid 10  and name c ) (resid 11  and name n )
       (resid 11  and name ca) (resid 11  and name c )   1.0  -65.0 25.0 2
assign (resid 11  and name c ) (resid 12  and name n )
       (resid 12  and name ca) (resid 12  and name c )   1.0  -65.0 25.0 2
assign (resid 12  and name c ) (resid 13  and name n )
       (resid 13  and name ca) (resid 13  and name c )   1.0  -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 )   1.0  -65.0 25.0 2
assign (resid 14  and name c ) (resid 15  and name n )
       (resid 15  and name ca) (resid 15  and name c )   1.0 -120.0 25.0 2
assign (resid 16  and name c ) (resid 17  and name n )
       (resid 17  and name ca) (resid 17  and name c )   1.0 -120.0 25.0 2
assign (resid 22  and name c ) (resid 23  and name n )
       (resid 23  and name ca) (resid 23  and name c )   1.0 -120.0 25.0 2
assign (resid 23  and name c ) (resid 24  and name n )
       (resid 24  and name ca) (resid 24  and name c )   1.0  -65.0 25.0 2
assign (resid 25  and name c ) (resid 26  and name n )
       (resid 26  and name ca) (resid 26  and name c )   1.0 -120.0 25.0 2
assign (resid 27  and name c ) (resid 28  and name n )
       (resid 28  and name ca) (resid 28  and name c )   1.0 -120.0 25.0 2
assign (resid 28  and name c ) (resid 29  and name n )
       (resid 29  and name ca) (resid 29  and name c )   1.0 -120.0 25.0 2
assign (resid 29  and name c ) (resid 30  and name n )
       (resid 30  and name ca) (resid 30  and name c )   1.0 -120.0 25.0 2
assign (resid 30  and name c ) (resid 31  and name n )
       (resid 31  and name ca) (resid 31  and name c )   1.0  -65.0 25.0 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          1H        ALA   1  -3.069 -10.876 -10.264
    2   2H    ALA   1          2H        ALA   1  -2.299 -12.284  -9.655
    3   3H    ALA   1          3H        ALA   1  -1.626 -11.446 -10.992
    4    HA   ALA   1           HA       ALA   1  -0.405 -11.001  -9.018
    5   1HB   ALA   1          1HB       ALA   1  -2.034  -8.664 -10.006
    6   2HB   ALA   1          2HB       ALA   1  -0.528  -9.265 -10.701
    7   3HB   ALA   1          3HB       ALA   1  -0.531  -8.543  -9.091
    8    H    ALA   2           H        ALA   2  -0.533 -11.274  -6.897
    9    HA   ALA   2           HA       ALA   2  -3.042 -10.790  -5.502
   10   1HB   ALA   2          1HB       ALA   2  -1.963 -11.909  -3.605
   11   2HB   ALA   2          2HB       ALA   2  -0.457 -11.996  -4.519
   12   3HB   ALA   2          3HB       ALA   2  -1.877 -12.882  -5.075
   13    H    CYS   3           H        CYS   3  -3.462  -8.954  -4.475
   14    HA   CYS   3           HA       CYS   3  -1.366  -6.996  -4.061
   15   1HB   CYS   3          1HB       CYS   3  -3.824  -6.585  -4.866
   16   2HB   CYS   3          2HB       CYS   3  -4.201  -6.620  -3.148
   17    H    TYR   4           H        TYR   4  -0.226  -6.827  -2.246
   18    HA   TYR   4           HA       TYR   4  -1.382  -7.900   0.247
   19   1HB   TYR   4          1HB       TYR   4   1.297  -8.149  -0.962
   20   2HB   TYR   4          2HB       TYR   4   1.294  -7.783   0.757
   21    HD1  TYR   4           1HD      TYR   4  -0.239 -10.141  -1.700
   22    HD2  TYR   4           2HD      TYR   4   1.114  -9.512   2.285
   23    HE1  TYR   4           1HE      TYR   4  -0.646 -12.511  -1.193
   24    HE2  TYR   4           2HE      TYR   4   0.713 -11.879   2.803
   25    HH   TYR   4           HH       TYR   4   0.583 -14.172   0.957
   26    H    SER   5           H        SER   5  -1.597  -6.565   1.936
   27    HA   SER   5           HA       SER   5  -1.155  -3.779   1.623
   28   1HB   SER   5          1HB       SER   5  -1.886  -3.621   3.997
   29   2HB   SER   5          2HB       SER   5  -2.987  -4.583   3.013
   30    HG   SER   5           HG       SER   5  -2.475  -6.315   4.119
   31    H    SER   6           H        SER   6   0.749  -6.372   2.962
   32    HA   SER   6           HA       SER   6   2.512  -4.709   4.484
   33   1HB   SER   6          1HB       SER   6   2.540  -7.583   3.602
   34   2HB   SER   6          2HB       SER   6   4.003  -6.860   4.271
   35    HG   SER   6           HG       SER   6   3.064  -6.685   6.192
   36    H    ASP   7           H        ASP   7   2.560  -6.121   1.239
   37    HA   ASP   7           HA       ASP   7   5.176  -5.175   0.581
   38   1HB   ASP   7          1HB       ASP   7   3.401  -6.936  -0.571
   39   2HB   ASP   7          2HB       ASP   7   3.287  -5.552  -1.645
   40    H    CYS   8           H        CYS   8   1.875  -4.088  -0.027
   41    HA   CYS   8           HA       CYS   8   2.334  -1.833  -1.571
   42   1HB   CYS   8          1HB       CYS   8   0.085  -2.631  -1.066
   43   2HB   CYS   8          2HB       CYS   8   0.299  -2.240   0.628
   44    H    ARG   9           H        ARG   9   2.130  -2.100   1.947
   45    HA   ARG   9           HA       ARG   9   2.663   0.539   2.606
   46   1HB   ARG   9          1HB       ARG   9   1.922  -0.810   4.366
   47   2HB   ARG   9          2HB       ARG   9   3.138  -2.046   4.055
   48   1HG   ARG   9          1HG       ARG   9   4.812  -0.851   5.069
   49   2HG   ARG   9          2HG       ARG   9   3.986   0.690   4.848
   50   1HD   ARG   9          1HD       ARG   9   3.434   0.485   7.013
   51   2HD   ARG   9          2HD       ARG   9   2.230  -0.669   6.442
   52    HE   ARG   9           HE       ARG   9   4.490  -2.160   6.801
   53   1HH1  ARG   9          1HH1      ARG   9   2.587  -0.053   8.850
   54   2HH1  ARG   9          2HH1      ARG   9   2.977  -0.910  10.302
   55   1HH2  ARG   9          1HH2      ARG   9   5.002  -3.284   8.717
   56   2HH2  ARG   9          2HH2      ARG   9   4.348  -2.744  10.227
   57    H    VAL  10           H        VAL  10   4.980  -2.153   2.143
   58    HA   VAL  10           HA       VAL  10   7.293  -0.727   2.832
   59    HB   VAL  10           HB       VAL  10   6.993  -2.989   0.841
   60   1HG1  VAL  10          1HG1      VAL  10   9.440  -1.712   2.034
   61   2HG1  VAL  10          2HG1      VAL  10   9.062  -1.981   0.332
   62   3HG1  VAL  10          3HG1      VAL  10   9.450  -3.348   1.375
   63   1HG2  VAL  10          1HG2      VAL  10   7.066  -4.440   2.555
   64   2HG2  VAL  10          2HG2      VAL  10   6.532  -3.064   3.520
   65   3HG2  VAL  10          3HG2      VAL  10   8.243  -3.481   3.450
   66    H    LYS  11           H        LYS  11   5.574  -1.002  -0.240
   67    HA   LYS  11           HA       LYS  11   7.445   0.463  -1.787
   68   1HB   LYS  11          1HB       LYS  11   4.498  -0.052  -2.184
   69   2HB   LYS  11          2HB       LYS  11   5.526   0.722  -3.382
   70   1HG   LYS  11          1HG       LYS  11   6.678  -1.227  -3.849
   71   2HG   LYS  11          2HG       LYS  11   6.246  -1.972  -2.308
   72   1HD   LYS  11          1HD       LYS  11   4.051  -2.426  -3.020
   73   2HD   LYS  11          2HD       LYS  11   4.182  -1.326  -4.394
   74   1HE   LYS  11          1HE       LYS  11   5.610  -2.796  -5.563
   75   2HE   LYS  11          2HE       LYS  11   5.900  -3.777  -4.128
   76   1HZ   LYS  11          1HZ       LYS  11   4.384  -4.892  -5.608
   77   2HZ   LYS  11          2HZ       LYS  11   3.339  -3.563  -5.616
   78   3HZ   LYS  11          3HZ       LYS  11   3.561  -4.454  -4.196
   79    H    CYS  12           H        CYS  12   4.837   1.346   0.334
   80    HA   CYS  12           HA       CYS  12   4.737   4.086  -0.564
   81   1HB   CYS  12          1HB       CYS  12   3.501   2.716   1.835
   82   2HB   CYS  12          2HB       CYS  12   3.217   4.397   1.397
   83    H    VAL  13           H        VAL  13   6.134   2.294   2.174
   84    HA   VAL  13           HA       VAL  13   7.079   4.514   3.623
   85    HB   VAL  13           HB       VAL  13   8.135   1.687   3.460
   86   1HG1  VAL  13          1HG1      VAL  13   9.222   2.296   5.684
   87   2HG1  VAL  13          2HG1      VAL  13   8.976   3.978   5.215
   88   3HG1  VAL  13          3HG1      VAL  13   9.984   2.925   4.223
   89   1HG2  VAL  13          1HG2      VAL  13   5.788   2.330   4.424
   90   2HG2  VAL  13          2HG2      VAL  13   6.729   2.861   5.817
   91   3HG2  VAL  13          3HG2      VAL  13   6.820   1.183   5.281
   92    H    ALA  14           H        ALA  14   8.415   2.712   0.913
   93    HA   ALA  14           HA       ALA  14  10.950   4.077   0.942
   94   1HB   ALA  14          1HB       ALA  14  11.442   2.833  -1.051
   95   2HB   ALA  14          2HB       ALA  14   9.746   2.392  -1.241
   96   3HB   ALA  14          3HB       ALA  14  10.674   1.759   0.117
   97    H    MET  15           H        MET  15   7.837   4.540  -0.583
   98    HA   MET  15           HA       MET  15   8.911   6.533  -2.427
   99   1HB   MET  15          1HB       MET  15   6.199   5.274  -2.078
  100   2HB   MET  15          2HB       MET  15   6.433   6.684  -3.103
  101   1HG   MET  15          1HG       MET  15   7.936   5.483  -4.523
  102   2HG   MET  15          2HG       MET  15   7.933   4.099  -3.433
  103   1HE   MET  15          1HE       MET  15   7.367   2.544  -5.639
  104   2HE   MET  15          2HE       MET  15   7.415   4.035  -6.580
  105   3HE   MET  15          3HE       MET  15   6.041   2.939  -6.733
  106    H    GLY  16           H        GLY  16   8.508   6.739   0.681
  107   1HA   GLY  16          1HA       GLY  16   8.351   8.625   2.018
  108   2HA   GLY  16          2HA       GLY  16   7.842   9.544   0.613
  109    H    PHE  17           H        PHE  17   6.605   6.935   2.711
  110    HA   PHE  17           HA       PHE  17   4.149   8.456   3.114
  111   1HB   PHE  17          1HB       PHE  17   4.212   5.662   1.966
  112   2HB   PHE  17          2HB       PHE  17   2.770   6.389   2.669
  113    HD1  PHE  17           1HD      PHE  17   4.947   6.229  -0.207
  114    HD2  PHE  17           2HD      PHE  17   1.729   8.337   1.591
  115    HE1  PHE  17           1HE      PHE  17   4.422   7.255  -2.380
  116    HE2  PHE  17           2HE      PHE  17   1.190   9.371  -0.580
  117    HZ   PHE  17           HZ       PHE  17   2.538   8.830  -2.567
  118    H    SER  18           H        SER  18   2.756   7.412   4.835
  119    HA   SER  18           HA       SER  18   4.518   6.473   6.953
  120   1HB   SER  18          1HB       SER  18   2.603   8.347   7.034
  121   2HB   SER  18          2HB       SER  18   1.647   6.946   7.523
  122    HG   SER  18           HG       SER  18   2.939   8.297   9.156
  123    H    SER  19           H        SER  19   2.696   4.963   4.676
  124    HA   SER  19           HA       SER  19   2.972   2.396   5.527
  125   1HB   SER  19          1HB       SER  19   0.827   3.710   7.009
  126   2HB   SER  19          2HB       SER  19   0.286   2.254   6.176
  127    HG   SER  19           HG       SER  19   1.083   1.381   7.942
  128    H    GLY  20           H        GLY  20   0.880   0.978   4.714
  129   1HA   GLY  20          1HA       GLY  20  -0.473   2.039   2.423
  130   2HA   GLY  20          2HA       GLY  20   0.899   1.047   1.958
  131    H    LYS  21           H        LYS  21  -1.831   0.469   1.336
  132    HA   LYS  21           HA       LYS  21  -2.007  -2.159   2.570
  133   1HB   LYS  21          1HB       LYS  21  -4.346  -1.965   3.104
  134   2HB   LYS  21          2HB       LYS  21  -3.474  -0.687   3.912
  135   1HG   LYS  21          1HG       LYS  21  -4.217   0.926   2.277
  136   2HG   LYS  21          2HG       LYS  21  -4.987  -0.351   1.337
  137   1HD   LYS  21          1HD       LYS  21  -6.206  -0.770   3.675
  138   2HD   LYS  21          2HD       LYS  21  -5.858   0.951   3.854
  139   1HE   LYS  21          1HE       LYS  21  -7.154   1.531   2.007
  140   2HE   LYS  21          2HE       LYS  21  -7.116  -0.104   1.348
  141   1HZ   LYS  21          1HZ       LYS  21  -8.545   0.684   3.831
  142   2HZ   LYS  21          2HZ       LYS  21  -8.574  -0.838   3.095
  143   3HZ   LYS  21          3HZ       LYS  21  -9.276   0.490   2.318
  144    H    CYS  22           H        CYS  22  -4.228  -3.097   1.571
  145    HA   CYS  22           HA       CYS  22  -4.212  -2.577  -1.312
  146   1HB   CYS  22          1HB       CYS  22  -3.569  -5.100   0.104
  147   2HB   CYS  22          2HB       CYS  22  -4.526  -5.224  -1.372
  148    H    ILE  23           H        ILE  23  -6.164  -2.386  -2.138
  149    HA   ILE  23           HA       ILE  23  -8.475  -3.108  -0.504
  150    HB   ILE  23           HB       ILE  23  -8.079  -0.767  -1.478
  151   1HG1  ILE  23          1HG1      ILE  23 -10.689  -1.005  -2.385
  152   2HG1  ILE  23          2HG1      ILE  23 -10.507  -2.345  -1.259
  153   1HG2  ILE  23          1HG2      ILE  23  -7.926  -0.438  -3.654
  154   2HG2  ILE  23          2HG2      ILE  23  -9.457  -1.266  -3.939
  155   3HG2  ILE  23          3HG2      ILE  23  -7.954  -2.185  -3.885
  156   1HD1  ILE  23          1HD1      ILE  23 -11.104  -0.801   0.252
  157   2HD1  ILE  23          2HD1      ILE  23 -10.588   0.546  -0.764
  158   3HD1  ILE  23          3HD1      ILE  23  -9.399  -0.356   0.176
  159    H    ASN  24           H        ASN  24 -10.138  -3.101  -3.108
  160    HA   ASN  24           HA       ASN  24 -10.579  -5.693  -3.505
  161   1HB   ASN  24          1HB       ASN  24 -11.125  -3.301  -4.949
  162   2HB   ASN  24          2HB       ASN  24 -10.654  -4.540  -6.107
  163   1HD2  ASN  24          1HD2      ASN  24 -12.907  -3.746  -3.533
  164   2HD2  ASN  24          2HD2      ASN  24 -14.142  -4.852  -4.021
  165    H    SER  25           H        SER  25  -8.109  -3.797  -5.139
  166    HA   SER  25           HA       SER  25  -6.229  -5.835  -5.310
  167   1HB   SER  25          1HB       SER  25  -8.085  -6.468  -7.105
  168   2HB   SER  25          2HB       SER  25  -7.211  -5.287  -8.080
  169    HG   SER  25           HG       SER  25  -6.384  -7.777  -7.119
  170    H    LYS  26           H        LYS  26  -6.416  -3.065  -4.623
  171    HA   LYS  26           HA       LYS  26  -4.309  -2.014  -6.371
  172   1HB   LYS  26          1HB       LYS  26  -6.862  -0.577  -5.659
  173   2HB   LYS  26          2HB       LYS  26  -5.429   0.258  -6.241
  174   1HG   LYS  26          1HG       LYS  26  -5.532  -0.860  -8.340
  175   2HG   LYS  26          2HG       LYS  26  -6.795  -1.947  -7.762
  176   1HD   LYS  26          1HD       LYS  26  -7.901   0.511  -7.300
  177   2HD   LYS  26          2HD       LYS  26  -6.987   0.792  -8.782
  178   1HE   LYS  26          1HE       LYS  26  -8.755  -1.610  -8.518
  179   2HE   LYS  26          2HE       LYS  26  -9.440  -0.040  -8.933
  180   1HZ   LYS  26          1HZ       LYS  26  -7.313  -1.464 -10.441
  181   2HZ   LYS  26          2HZ       LYS  26  -7.935   0.059 -10.834
  182   3HZ   LYS  26          3HZ       LYS  26  -8.931  -1.305 -10.913
  183    H    CYS  27           H        CYS  27  -2.634  -1.370  -5.215
  184    HA   CYS  27           HA       CYS  27  -2.648  -1.204  -2.400
  185   1HB   CYS  27          1HB       CYS  27  -0.663  -1.975  -3.305
  186   2HB   CYS  27          2HB       CYS  27  -0.670  -0.793  -4.592
  187    H    LYS  28           H        LYS  28  -2.799   0.443  -1.132
  188    HA   LYS  28           HA       LYS  28  -2.870   3.173  -2.236
  189   1HB   LYS  28          1HB       LYS  28  -5.114   2.522  -1.583
  190   2HB   LYS  28          2HB       LYS  28  -4.543   2.004  -0.005
  191   1HG   LYS  28          1HG       LYS  28  -4.056   4.255   0.631
  192   2HG   LYS  28          2HG       LYS  28  -4.390   4.838  -1.000
  193   1HD   LYS  28          1HD       LYS  28  -6.717   4.277  -0.783
  194   2HD   LYS  28          2HD       LYS  28  -6.427   3.488   0.768
  195   1HE   LYS  28          1HE       LYS  28  -6.868   5.424   1.764
  196   2HE   LYS  28          2HE       LYS  28  -5.399   6.076   1.039
  197   1HZ   LYS  28          1HZ       LYS  28  -6.697   6.763  -0.882
  198   2HZ   LYS  28          2HZ       LYS  28  -7.316   7.450   0.534
  199   3HZ   LYS  28          3HZ       LYS  28  -8.107   6.138  -0.184
  200    H    CYS  29           H        CYS  29  -1.921   4.801  -0.974
  201    HA   CYS  29           HA       CYS  29  -0.043   3.762   1.023
  202   1HB   CYS  29          1HB       CYS  29   0.010   6.243  -0.683
  203   2HB   CYS  29          2HB       CYS  29   1.101   6.011   0.680
  204    H    TYR  30           H        TYR  30   0.287   4.747   2.980
  205    HA   TYR  30           HA       TYR  30  -2.040   6.152   4.061
  206   1HB   TYR  30          1HB       TYR  30   0.230   4.635   5.349
  207   2HB   TYR  30          2HB       TYR  30  -0.918   5.583   6.278
  208    HD1  TYR  30           1HD      TYR  30  -2.329   3.924   3.389
  209    HD2  TYR  30           2HD      TYR  30  -1.303   3.422   7.486
  210    HE1  TYR  30           1HE      TYR  30  -3.837   1.995   3.525
  211    HE2  TYR  30           2HE      TYR  30  -2.812   1.488   7.633
  212    HH   TYR  30           HH       TYR  30  -5.130   0.831   5.958
  213    H    LYS  31           H        LYS  31  -1.014   7.996   2.716
  214    HA   LYS  31           HA       LYS  31   1.264   9.362   3.201
  215   1HB   LYS  31          1HB       LYS  31  -1.434  10.717   3.028
  216   2HB   LYS  31          2HB       LYS  31   0.122  11.418   2.610
  217   1HG   LYS  31          1HG       LYS  31   0.093   9.251   0.991
  218   2HG   LYS  31          2HG       LYS  31  -1.626   9.632   1.072
  219   1HD   LYS  31          1HD       LYS  31   0.353  11.814   0.563
  220   2HD   LYS  31          2HD       LYS  31  -0.123  10.741  -0.754
  221   1HE   LYS  31          1HE       LYS  31  -2.276  11.515  -0.794
  222   2HE   LYS  31          2HE       LYS  31  -2.267  11.948   0.914
  223   1HZ   LYS  31          1HZ       LYS  31  -2.294  13.886  -0.577
  224   2HZ   LYS  31          2HZ       LYS  31  -0.792  13.421  -1.201
  225   3HZ   LYS  31          3HZ       LYS  31  -0.931  13.865   0.426
  Start of MODEL    2
    1   1H    ALA   1          1H        ALA   1  -3.650 -10.819 -11.326
    2   2H    ALA   1          2H        ALA   1  -4.851 -10.125 -10.315
    3   3H    ALA   1          3H        ALA   1  -4.014 -11.537  -9.813
    4    HA   ALA   1           HA       ALA   1  -1.941 -10.166 -10.000
    5   1HB   ALA   1          1HB       ALA   1  -3.826  -7.865  -9.607
    6   2HB   ALA   1          2HB       ALA   1  -3.260  -8.328 -11.211
    7   3HB   ALA   1          3HB       ALA   1  -2.101  -7.838  -9.976
    8    H    ALA   2           H        ALA   2  -1.129 -10.567  -8.059
    9    HA   ALA   2           HA       ALA   2  -2.883 -10.664  -5.740
   10   1HB   ALA   2          1HB       ALA   2  -1.013 -11.727  -4.602
   11   2HB   ALA   2          2HB       ALA   2   0.035 -11.406  -5.984
   12   3HB   ALA   2          3HB       ALA   2  -1.326 -12.515  -6.148
   13    H    CYS   3           H        CYS   3  -3.014  -9.126  -4.239
   14    HA   CYS   3           HA       CYS   3  -0.903  -7.067  -4.149
   15   1HB   CYS   3          1HB       CYS   3  -3.304  -6.498  -5.073
   16   2HB   CYS   3          2HB       CYS   3  -3.728  -6.449  -3.366
   17    H    TYR   4           H        TYR   4   0.152  -7.011  -2.268
   18    HA   TYR   4           HA       TYR   4  -1.195  -8.067   0.130
   19   1HB   TYR   4          1HB       TYR   4   1.545  -8.295  -0.895
   20   2HB   TYR   4          2HB       TYR   4   1.462  -7.874   0.807
   21    HD1  TYR   4           1HD      TYR   4   1.363  -9.590   2.344
   22    HD2  TYR   4           2HD      TYR   4  -0.071 -10.293  -1.599
   23    HE1  TYR   4           1HE      TYR   4   0.957 -11.946   2.918
   24    HE2  TYR   4           2HE      TYR   4  -0.481 -12.651  -1.036
   25    HH   TYR   4           HH       TYR   4  -0.715 -13.817   1.947
   26    H    SER   5           H        SER   5  -1.252  -6.900   2.008
   27    HA   SER   5           HA       SER   5  -1.024  -4.061   1.746
   28   1HB   SER   5          1HB       SER   5  -1.710  -5.812   4.113
   29   2HB   SER   5          2HB       SER   5  -1.740  -4.049   4.157
   30    HG   SER   5           HG       SER   5  -3.355  -5.798   2.626
   31    H    SER   6           H        SER   6   0.989  -6.589   3.082
   32    HA   SER   6           HA       SER   6   2.641  -4.830   4.631
   33   1HB   SER   6          1HB       SER   6   2.508  -7.226   5.186
   34   2HB   SER   6          2HB       SER   6   3.197  -7.635   3.617
   35    HG   SER   6           HG       SER   6   4.516  -6.046   5.567
   36    H    ASP   7           H        ASP   7   2.797  -6.259   1.403
   37    HA   ASP   7           HA       ASP   7   5.360  -5.194   0.747
   38   1HB   ASP   7          1HB       ASP   7   3.676  -7.021  -0.416
   39   2HB   ASP   7          2HB       ASP   7   3.470  -5.633  -1.475
   40    H    CYS   8           H        CYS   8   2.024  -4.233   0.104
   41    HA   CYS   8           HA       CYS   8   2.414  -1.953  -1.408
   42   1HB   CYS   8          1HB       CYS   8   0.203  -2.896  -0.875
   43   2HB   CYS   8          2HB       CYS   8   0.379  -2.366   0.786
   44    H    ARG   9           H        ARG   9   2.207  -2.220   2.119
   45    HA   ARG   9           HA       ARG   9   2.661   0.442   2.751
   46   1HB   ARG   9          1HB       ARG   9   1.924  -1.107   4.440
   47   2HB   ARG   9          2HB       ARG   9   3.403  -2.049   4.282
   48   1HG   ARG   9          1HG       ARG   9   4.621  -0.607   5.494
   49   2HG   ARG   9          2HG       ARG   9   3.744   0.800   4.898
   50   1HD   ARG   9          1HD       ARG   9   2.905   0.832   6.995
   51   2HD   ARG   9          2HD       ARG   9   1.807  -0.388   6.351
   52    HE   ARG   9           HE       ARG   9   3.911  -1.846   7.235
   53   1HH1  ARG   9          1HH1      ARG   9   1.886   0.586   8.739
   54   2HH1  ARG   9          2HH1      ARG   9   2.056  -0.083  10.328
   55   1HH2  ARG   9          1HH2      ARG   9   4.130  -2.721   9.328
   56   2HH2  ARG   9          2HH2      ARG   9   3.331  -1.962  10.663
   57    H    VAL  10           H        VAL  10   5.035  -2.210   2.343
   58    HA   VAL  10           HA       VAL  10   7.324  -0.757   3.011
   59    HB   VAL  10           HB       VAL  10   7.085  -2.972   0.962
   60   1HG1  VAL  10          1HG1      VAL  10   9.565  -3.257   1.918
   61   2HG1  VAL  10          2HG1      VAL  10   9.398  -1.509   2.089
   62   3HG1  VAL  10          3HG1      VAL  10   9.192  -2.263   0.508
   63   1HG2  VAL  10          1HG2      VAL  10   7.038  -4.480   2.619
   64   2HG2  VAL  10          2HG2      VAL  10   6.523  -3.133   3.635
   65   3HG2  VAL  10          3HG2      VAL  10   8.222  -3.599   3.584
   66    H    LYS  11           H        LYS  11   5.556  -0.973  -0.034
   67    HA   LYS  11           HA       LYS  11   7.430   0.488  -1.586
   68   1HB   LYS  11          1HB       LYS  11   4.461   0.143  -2.028
   69   2HB   LYS  11          2HB       LYS  11   5.621   0.689  -3.229
   70   1HG   LYS  11          1HG       LYS  11   6.468  -1.407  -3.569
   71   2HG   LYS  11          2HG       LYS  11   6.061  -1.957  -1.942
   72   1HD   LYS  11          1HD       LYS  11   4.242  -2.929  -2.780
   73   2HD   LYS  11          2HD       LYS  11   3.623  -1.328  -3.192
   74   1HE   LYS  11          1HE       LYS  11   5.000  -1.509  -5.318
   75   2HE   LYS  11          2HE       LYS  11   5.213  -3.213  -4.916
   76   1HZ   LYS  11          1HZ       LYS  11   3.250  -2.392  -6.431
   77   2HZ   LYS  11          2HZ       LYS  11   2.489  -2.140  -4.941
   78   3HZ   LYS  11          3HZ       LYS  11   3.047  -3.683  -5.354
   79    H    CYS  12           H        CYS  12   4.795   1.382   0.517
   80    HA   CYS  12           HA       CYS  12   4.800   4.141  -0.344
   81   1HB   CYS  12          1HB       CYS  12   3.447   2.857   2.034
   82   2HB   CYS  12          2HB       CYS  12   3.134   4.475   1.415
   83    H    VAL  13           H        VAL  13   6.068   2.227   2.359
   84    HA   VAL  13           HA       VAL  13   6.947   4.376   3.958
   85    HB   VAL  13           HB       VAL  13   8.034   1.568   3.720
   86   1HG1  VAL  13          1HG1      VAL  13   9.047   1.949   5.925
   87   2HG1  VAL  13          2HG1      VAL  13   8.526   3.632   5.867
   88   3HG1  VAL  13          3HG1      VAL  13   9.709   3.037   4.704
   89   1HG2  VAL  13          1HG2      VAL  13   5.675   2.678   4.957
   90   2HG2  VAL  13          2HG2      VAL  13   6.707   1.887   6.147
   91   3HG2  VAL  13          3HG2      VAL  13   6.143   0.993   4.736
   92    H    ALA  14           H        ALA  14   8.353   2.734   1.193
   93    HA   ALA  14           HA       ALA  14  10.891   4.121   1.441
   94   1HB   ALA  14          1HB       ALA  14  11.107   1.921   0.670
   95   2HB   ALA  14          2HB       ALA  14  11.347   2.935  -0.752
   96   3HB   ALA  14          3HB       ALA  14   9.806   2.119  -0.503
   97    H    MET  15           H        MET  15   7.872   4.527  -0.264
   98    HA   MET  15           HA       MET  15   9.058   6.435  -2.131
   99   1HB   MET  15          1HB       MET  15   6.314   5.217  -1.885
  100   2HB   MET  15          2HB       MET  15   6.624   6.587  -2.946
  101   1HG   MET  15          1HG       MET  15   8.344   5.253  -4.107
  102   2HG   MET  15          2HG       MET  15   7.919   3.876  -3.093
  103   1HE   MET  15          1HE       MET  15   7.812   4.639  -6.475
  104   2HE   MET  15          2HE       MET  15   6.972   6.138  -6.076
  105   3HE   MET  15          3HE       MET  15   6.156   4.897  -7.027
  106    H    GLY  16           H        GLY  16   8.529   6.776   0.934
  107   1HA   GLY  16          1HA       GLY  16   8.309   8.707   2.191
  108   2HA   GLY  16          2HA       GLY  16   7.903   9.579   0.724
  109    H    PHE  17           H        PHE  17   6.500   7.096   2.865
  110    HA   PHE  17           HA       PHE  17   4.046   8.671   3.047
  111   1HB   PHE  17          1HB       PHE  17   4.113   5.796   2.099
  112   2HB   PHE  17          2HB       PHE  17   2.651   6.620   2.637
  113    HD1  PHE  17           1HD      PHE  17   1.659   8.370   1.303
  114    HD2  PHE  17           2HD      PHE  17   5.105   6.281  -0.029
  115    HE1  PHE  17           1HE      PHE  17   1.280   9.215  -0.979
  116    HE2  PHE  17           2HE      PHE  17   4.743   7.121  -2.314
  117    HZ   PHE  17           HZ       PHE  17   2.826   8.590  -2.791
  118    H    SER  18           H        SER  18   2.497   7.498   4.677
  119    HA   SER  18           HA       SER  18   4.175   6.664   6.927
  120   1HB   SER  18          1HB       SER  18   1.372   7.792   6.919
  121   2HB   SER  18          2HB       SER  18   2.259   7.311   8.365
  122    HG   SER  18           HG       SER  18   2.633   9.506   6.689
  123    H    SER  19           H        SER  19   2.284   5.236   4.642
  124    HA   SER  19           HA       SER  19   2.371   2.688   5.708
  125   1HB   SER  19          1HB       SER  19   0.154   4.240   6.774
  126   2HB   SER  19          2HB       SER  19  -0.421   2.813   5.906
  127    HG   SER  19           HG       SER  19   0.032   1.893   7.761
  128    H    GLY  20           H        GLY  20   0.679   1.180   4.603
  129   1HA   GLY  20          1HA       GLY  20  -0.551   2.053   2.191
  130   2HA   GLY  20          2HA       GLY  20   1.003   1.300   1.859
  131    H    LYS  21           H        LYS  21  -1.866   0.475   1.310
  132    HA   LYS  21           HA       LYS  21  -1.482  -2.281   2.085
  133   1HB   LYS  21          1HB       LYS  21  -3.664  -2.581   3.061
  134   2HB   LYS  21          2HB       LYS  21  -2.784  -1.362   3.944
  135   1HG   LYS  21          1HG       LYS  21  -4.044   0.361   2.609
  136   2HG   LYS  21          2HG       LYS  21  -5.048  -0.965   2.023
  137   1HD   LYS  21          1HD       LYS  21  -4.935  -1.274   4.805
  138   2HD   LYS  21          2HD       LYS  21  -5.166   0.452   4.530
  139   1HE   LYS  21          1HE       LYS  21  -7.342  -0.282   4.563
  140   2HE   LYS  21          2HE       LYS  21  -6.986  -0.359   2.839
  141   1HZ   LYS  21          1HZ       LYS  21  -6.835  -2.656   4.717
  142   2HZ   LYS  21          2HZ       LYS  21  -6.562  -2.717   3.048
  143   3HZ   LYS  21          3HZ       LYS  21  -8.106  -2.358   3.640
  144    H    CYS  22           H        CYS  22  -3.561  -3.492   1.318
  145    HA   CYS  22           HA       CYS  22  -4.154  -2.578  -1.413
  146   1HB   CYS  22          1HB       CYS  22  -3.456  -5.331  -0.413
  147   2HB   CYS  22          2HB       CYS  22  -4.241  -5.070  -1.970
  148    H    ILE  23           H        ILE  23  -6.215  -2.476  -1.970
  149    HA   ILE  23           HA       ILE  23  -8.230  -3.421  -0.088
  150    HB   ILE  23           HB       ILE  23  -8.157  -1.039  -0.920
  151   1HG1  ILE  23          1HG1      ILE  23 -10.775  -1.347  -1.690
  152   2HG1  ILE  23          2HG1      ILE  23 -10.465  -2.828  -0.788
  153   1HG2  ILE  23          1HG2      ILE  23  -8.155  -0.524  -3.066
  154   2HG2  ILE  23          2HG2      ILE  23  -9.610  -1.476  -3.356
  155   3HG2  ILE  23          3HG2      ILE  23  -8.025  -2.243  -3.431
  156   1HD1  ILE  23          1HD1      ILE  23 -10.877  -0.146   0.168
  157   2HD1  ILE  23          2HD1      ILE  23  -9.361  -0.820   0.771
  158   3HD1  ILE  23          3HD1      ILE  23 -10.879  -1.673   1.050
  159    H    ASN  24           H        ASN  24 -10.095  -3.316  -2.699
  160    HA   ASN  24           HA       ASN  24 -10.589  -5.909  -3.044
  161   1HB   ASN  24          1HB       ASN  24 -11.124  -3.541  -4.556
  162   2HB   ASN  24          2HB       ASN  24 -10.713  -4.837  -5.671
  163   1HD2  ASN  24          1HD2      ASN  24 -12.932  -3.767  -3.209
  164   2HD2  ASN  24          2HD2      ASN  24 -14.184  -4.903  -3.566
  165    H    SER  25           H        SER  25  -8.186  -4.074  -4.868
  166    HA   SER  25           HA       SER  25  -6.298  -6.114  -4.955
  167   1HB   SER  25          1HB       SER  25  -8.277  -6.157  -7.136
  168   2HB   SER  25          2HB       SER  25  -6.602  -6.165  -7.685
  169    HG   SER  25           HG       SER  25  -6.277  -8.078  -6.733
  170    H    LYS  26           H        LYS  26  -6.436  -3.332  -4.405
  171    HA   LYS  26           HA       LYS  26  -4.391  -2.384  -6.272
  172   1HB   LYS  26          1HB       LYS  26  -7.002  -1.030  -5.697
  173   2HB   LYS  26          2HB       LYS  26  -5.580  -0.070  -6.081
  174   1HG   LYS  26          1HG       LYS  26  -5.455  -1.787  -8.106
  175   2HG   LYS  26          2HG       LYS  26  -7.193  -1.853  -7.809
  176   1HD   LYS  26          1HD       LYS  26  -7.416   0.498  -8.136
  177   2HD   LYS  26          2HD       LYS  26  -5.667   0.724  -8.151
  178   1HE   LYS  26          1HE       LYS  26  -7.100  -0.971 -10.183
  179   2HE   LYS  26          2HE       LYS  26  -6.850   0.760 -10.402
  180   1HZ   LYS  26          1HZ       LYS  26  -4.487   0.435 -10.320
  181   2HZ   LYS  26          2HZ       LYS  26  -5.131  -0.617 -11.476
  182   3HZ   LYS  26          3HZ       LYS  26  -4.667  -1.209  -9.963
  183    H    CYS  27           H        CYS  27  -2.679  -1.812  -5.140
  184    HA   CYS  27           HA       CYS  27  -2.692  -1.386  -2.351
  185   1HB   CYS  27          1HB       CYS  27  -0.749  -2.350  -3.163
  186   2HB   CYS  27          2HB       CYS  27  -0.669  -1.280  -4.542
  187    H    LYS  28           H        LYS  28  -2.788   0.386  -1.254
  188    HA   LYS  28           HA       LYS  28  -2.701   2.976  -2.637
  189   1HB   LYS  28          1HB       LYS  28  -4.232   3.655  -0.641
  190   2HB   LYS  28          2HB       LYS  28  -4.929   2.868  -2.044
  191   1HG   LYS  28          1HG       LYS  28  -4.062   1.009   0.037
  192   2HG   LYS  28          2HG       LYS  28  -5.302   2.145   0.566
  193   1HD   LYS  28          1HD       LYS  28  -5.801   0.976  -2.075
  194   2HD   LYS  28          2HD       LYS  28  -5.780  -0.200  -0.759
  195   1HE   LYS  28          1HE       LYS  28  -8.024   0.853  -1.322
  196   2HE   LYS  28          2HE       LYS  28  -7.539   0.872   0.372
  197   1HZ   LYS  28          1HZ       LYS  28  -6.888   3.189  -1.313
  198   2HZ   LYS  28          2HZ       LYS  28  -7.215   3.124   0.346
  199   3HZ   LYS  28          3HZ       LYS  28  -8.480   3.003  -0.767
  200    H    CYS  29           H        CYS  29  -1.815   4.739  -1.455
  201    HA   CYS  29           HA       CYS  29  -0.051   3.861   0.729
  202   1HB   CYS  29          1HB       CYS  29   0.284   6.029  -1.340
  203   2HB   CYS  29          2HB       CYS  29   1.238   5.994   0.140
  204    H    TYR  30           H        TYR  30   0.104   5.015   2.589
  205    HA   TYR  30           HA       TYR  30  -2.021   6.988   3.027
  206   1HB   TYR  30          1HB       TYR  30  -0.786   5.015   4.949
  207   2HB   TYR  30          2HB       TYR  30  -1.952   6.262   5.401
  208    HD1  TYR  30           1HD      TYR  30  -4.077   6.308   3.790
  209    HD2  TYR  30           2HD      TYR  30  -1.644   2.913   4.546
  210    HE1  TYR  30           1HE      TYR  30  -5.935   4.841   3.125
  211    HE2  TYR  30           2HE      TYR  30  -3.482   1.434   3.903
  212    HH   TYR  30           HH       TYR  30  -5.632   1.749   2.310
  213    H    LYS  31           H        LYS  31  -0.551   8.531   2.226
  214    HA   LYS  31           HA       LYS  31   1.908   9.307   3.057
  215   1HB   LYS  31          1HB       LYS  31  -0.307  10.596   1.809
  216   2HB   LYS  31          2HB       LYS  31   0.331  11.684   3.032
  217   1HG   LYS  31          1HG       LYS  31   2.591  11.377   2.034
  218   2HG   LYS  31          2HG       LYS  31   1.829  10.457   0.738
  219   1HD   LYS  31          1HD       LYS  31   1.775  12.490  -0.266
  220   2HD   LYS  31          2HD       LYS  31   0.287  12.645   0.670
  221   1HE   LYS  31          1HE       LYS  31   1.507  13.812   2.434
  222   2HE   LYS  31          2HE       LYS  31   3.010  13.622   1.536
  223   1HZ   LYS  31          1HZ       LYS  31   0.645  15.123   0.538
  224   2HZ   LYS  31          2HZ       LYS  31   2.170  15.037  -0.188
  225   3HZ   LYS  31          3HZ       LYS  31   1.983  15.838   1.289
  Start of MODEL    3
    1   1H    ALA   1          1H        ALA   1   2.391 -12.506  -7.256
    2   2H    ALA   1          2H        ALA   1   0.803 -13.058  -6.916
    3   3H    ALA   1          3H        ALA   1   1.483 -11.773  -6.001
    4    HA   ALA   1           HA       ALA   1   1.691 -10.568  -8.175
    5   1HB   ALA   1          1HB       ALA   1  -0.026 -11.222  -9.840
    6   2HB   ALA   1          2HB       ALA   1  -0.288 -12.712  -8.934
    7   3HB   ALA   1          3HB       ALA   1   1.281 -12.393  -9.676
    8    H    ALA   2           H        ALA   2  -0.821 -11.971  -6.154
    9    HA   ALA   2           HA       ALA   2  -2.828 -10.057  -6.544
   10   1HB   ALA   2          1HB       ALA   2  -2.579 -11.178  -3.827
   11   2HB   ALA   2          2HB       ALA   2  -2.683 -12.349  -5.144
   12   3HB   ALA   2          3HB       ALA   2  -3.958 -11.151  -4.927
   13    H    CYS   3           H        CYS   3  -3.586  -8.496  -4.847
   14    HA   CYS   3           HA       CYS   3  -1.412  -6.693  -4.226
   15   1HB   CYS   3          1HB       CYS   3  -3.799  -6.135  -5.161
   16   2HB   CYS   3          2HB       CYS   3  -4.265  -6.173  -3.464
   17    H    TYR   4           H        TYR   4  -0.331  -6.813  -2.383
   18    HA   TYR   4           HA       TYR   4  -1.711  -7.816   0.020
   19   1HB   TYR   4          1HB       TYR   4   0.946  -8.300  -1.085
   20   2HB   TYR   4          2HB       TYR   4   0.997  -7.821   0.601
   21    HD1  TYR   4           1HD      TYR   4  -0.933 -10.146  -1.610
   22    HD2  TYR   4           2HD      TYR   4   0.879  -9.484   2.181
   23    HE1  TYR   4           1HE      TYR   4  -1.512 -12.439  -0.940
   24    HE2  TYR   4           2HE      TYR   4   0.306 -11.775   2.863
   25    HH   TYR   4           HH       TYR   4  -1.581 -13.503   2.114
   26    H    SER   5           H        SER   5  -1.569  -6.706   1.946
   27    HA   SER   5           HA       SER   5  -1.203  -3.882   1.741
   28   1HB   SER   5          1HB       SER   5  -2.920  -4.959   3.207
   29   2HB   SER   5          2HB       SER   5  -1.617  -5.533   4.245
   30    HG   SER   5           HG       SER   5  -1.154  -3.455   4.815
   31    H    SER   6           H        SER   6   0.759  -6.541   2.912
   32    HA   SER   6           HA       SER   6   2.604  -4.902   4.362
   33   1HB   SER   6          1HB       SER   6   2.465  -7.764   3.556
   34   2HB   SER   6          2HB       SER   6   4.072  -7.112   3.869
   35    HG   SER   6           HG       SER   6   1.871  -6.945   5.659
   36    H    ASP   7           H        ASP   7   2.488  -6.228   1.086
   37    HA   ASP   7           HA       ASP   7   5.080  -5.280   0.341
   38   1HB   ASP   7          1HB       ASP   7   3.285  -7.001  -0.804
   39   2HB   ASP   7          2HB       ASP   7   3.065  -5.571  -1.799
   40    H    CYS   8           H        CYS   8   1.769  -4.162  -0.135
   41    HA   CYS   8           HA       CYS   8   2.163  -1.855  -1.595
   42   1HB   CYS   8          1HB       CYS   8  -0.057  -2.696  -0.965
   43   2HB   CYS   8          2HB       CYS   8   0.247  -2.276   0.708
   44    H    ARG   9           H        ARG   9   2.145  -2.218   1.923
   45    HA   ARG   9           HA       ARG   9   2.758   0.382   2.631
   46   1HB   ARG   9          1HB       ARG   9   2.082  -1.232   4.289
   47   2HB   ARG   9          2HB       ARG   9   3.517  -2.207   3.987
   48   1HG   ARG   9          1HG       ARG   9   4.703   0.079   4.584
   49   2HG   ARG   9          2HG       ARG   9   3.211   0.310   5.492
   50   1HD   ARG   9          1HD       ARG   9   3.779  -2.192   6.242
   51   2HD   ARG   9          2HD       ARG   9   5.416  -1.624   5.910
   52    HE   ARG   9           HE       ARG   9   3.888   0.166   7.562
   53   1HH1  ARG   9          1HH1      ARG   9   5.952  -2.665   7.576
   54   2HH1  ARG   9          2HH1      ARG   9   6.453  -2.444   9.217
   55   1HH2  ARG   9          1HH2      ARG   9   4.550   0.453   9.722
   56   2HH2  ARG   9          2HH2      ARG   9   5.655  -0.673  10.439
   57    H    VAL  10           H        VAL  10   5.006  -2.323   1.973
   58    HA   VAL  10           HA       VAL  10   7.391  -1.008   2.529
   59    HB   VAL  10           HB       VAL  10   6.886  -3.066   0.370
   60   1HG1  VAL  10          1HG1      VAL  10   9.421  -1.930   1.497
   61   2HG1  VAL  10          2HG1      VAL  10   8.956  -2.152  -0.190
   62   3HG1  VAL  10          3HG1      VAL  10   9.377  -3.549   0.802
   63   1HG2  VAL  10          1HG2      VAL  10   8.240  -3.842   2.865
   64   2HG2  VAL  10          2HG2      VAL  10   7.025  -4.697   1.916
   65   3HG2  VAL  10          3HG2      VAL  10   6.535  -3.420   3.028
   66    H    LYS  11           H        LYS  11   5.510  -1.065  -0.478
   67    HA   LYS  11           HA       LYS  11   7.310   0.506  -1.998
   68   1HB   LYS  11          1HB       LYS  11   4.408  -0.201  -2.268
   69   2HB   LYS  11          2HB       LYS  11   5.122   0.999  -3.335
   70   1HG   LYS  11          1HG       LYS  11   5.227  -1.018  -4.515
   71   2HG   LYS  11          2HG       LYS  11   6.862  -0.759  -3.907
   72   1HD   LYS  11          1HD       LYS  11   6.260  -2.240  -1.966
   73   2HD   LYS  11          2HD       LYS  11   4.766  -2.629  -2.818
   74   1HE   LYS  11          1HE       LYS  11   5.854  -4.211  -3.928
   75   2HE   LYS  11          2HE       LYS  11   6.849  -2.963  -4.675
   76   1HZ   LYS  11          1HZ       LYS  11   8.539  -3.284  -3.164
   77   2HZ   LYS  11          2HZ       LYS  11   7.965  -4.863  -3.357
   78   3HZ   LYS  11          3HZ       LYS  11   7.529  -3.969  -1.991
   79    H    CYS  12           H        CYS  12   4.753   1.260   0.243
   80    HA   CYS  12           HA       CYS  12   4.656   4.053  -0.435
   81   1HB   CYS  12          1HB       CYS  12   3.560   2.568   1.964
   82   2HB   CYS  12          2HB       CYS  12   3.228   4.253   1.580
   83    H    VAL  13           H        VAL  13   6.262   2.059   2.022
   84    HA   VAL  13           HA       VAL  13   7.250   4.159   3.621
   85    HB   VAL  13           HB       VAL  13   8.403   1.414   3.113
   86   1HG1  VAL  13          1HG1      VAL  13   9.533   1.788   5.332
   87   2HG1  VAL  13          2HG1      VAL  13   9.089   3.488   5.187
   88   3HG1  VAL  13          3HG1      VAL  13  10.159   2.753   3.996
   89   1HG2  VAL  13          1HG2      VAL  13   6.561   0.775   4.210
   90   2HG2  VAL  13          2HG2      VAL  13   6.204   2.411   4.761
   91   3HG2  VAL  13          3HG2      VAL  13   7.364   1.415   5.643
   92    H    ALA  14           H        ALA  14   8.410   2.677   0.655
   93    HA   ALA  14           HA       ALA  14  10.899   4.173   0.677
   94   1HB   ALA  14          1HB       ALA  14   9.867   2.573  -1.630
   95   2HB   ALA  14          2HB       ALA  14  10.575   1.795  -0.214
   96   3HB   ALA  14          3HB       ALA  14  11.534   2.919  -1.177
   97    H    MET  15           H        MET  15   7.690   4.528  -0.618
   98    HA   MET  15           HA       MET  15   8.558   6.531  -2.560
   99   1HB   MET  15          1HB       MET  15   5.882   5.266  -1.970
  100   2HB   MET  15          2HB       MET  15   6.056   6.630  -3.065
  101   1HG   MET  15          1HG       MET  15   7.837   4.343  -3.572
  102   2HG   MET  15          2HG       MET  15   6.119   4.059  -3.836
  103   1HE   MET  15          1HE       MET  15   9.292   5.307  -4.837
  104   2HE   MET  15          2HE       MET  15   9.103   6.269  -6.304
  105   3HE   MET  15          3HE       MET  15   8.862   4.523  -6.356
  106    H    GLY  16           H        GLY  16   8.438   6.743   0.564
  107   1HA   GLY  16          1HA       GLY  16   8.314   8.595   1.941
  108   2HA   GLY  16          2HA       GLY  16   7.750   9.531   0.566
  109    H    PHE  17           H        PHE  17   6.585   6.909   2.691
  110    HA   PHE  17           HA       PHE  17   4.153   8.443   3.195
  111   1HB   PHE  17          1HB       PHE  17   4.150   5.642   2.056
  112   2HB   PHE  17          2HB       PHE  17   2.742   6.400   2.790
  113    HD1  PHE  17           1HD      PHE  17   4.856   6.196  -0.136
  114    HD2  PHE  17           2HD      PHE  17   1.671   8.317   1.710
  115    HE1  PHE  17           1HE      PHE  17   4.269   7.193  -2.310
  116    HE2  PHE  17           2HE      PHE  17   1.075   9.321  -0.458
  117    HZ   PHE  17           HZ       PHE  17   2.375   8.760  -2.472
  118    H    SER  18           H        SER  18   2.764   7.229   4.889
  119    HA   SER  18           HA       SER  18   4.613   6.316   6.958
  120   1HB   SER  18          1HB       SER  18   2.037   7.747   6.970
  121   2HB   SER  18          2HB       SER  18   2.243   6.570   8.265
  122    HG   SER  18           HG       SER  18   4.161   7.632   8.848
  123    H    SER  19           H        SER  19   2.744   4.857   4.701
  124    HA   SER  19           HA       SER  19   3.039   2.278   5.438
  125   1HB   SER  19          1HB       SER  19   1.033   3.501   7.140
  126   2HB   SER  19          2HB       SER  19   0.373   2.137   6.234
  127    HG   SER  19           HG       SER  19   1.264   1.099   7.868
  128    H    GLY  20           H        GLY  20   0.940   0.858   4.661
  129   1HA   GLY  20          1HA       GLY  20  -0.546   2.020   2.505
  130   2HA   GLY  20          2HA       GLY  20   0.820   1.084   1.920
  131    H    LYS  21           H        LYS  21  -1.927   0.506   1.396
  132    HA   LYS  21           HA       LYS  21  -1.985  -2.210   2.399
  133   1HB   LYS  21          1HB       LYS  21  -4.300  -2.127   3.093
  134   2HB   LYS  21          2HB       LYS  21  -3.365  -0.964   4.000
  135   1HG   LYS  21          1HG       LYS  21  -4.179   0.788   2.374
  136   2HG   LYS  21          2HG       LYS  21  -5.292  -0.437   1.763
  137   1HD   LYS  21          1HD       LYS  21  -5.649  -0.551   4.501
  138   2HD   LYS  21          2HD       LYS  21  -5.427   1.170   4.187
  139   1HE   LYS  21          1HE       LYS  21  -7.753   0.733   4.033
  140   2HE   LYS  21          2HE       LYS  21  -7.165   0.966   2.387
  141   1HZ   LYS  21          1HZ       LYS  21  -7.350  -1.283   1.918
  142   2HZ   LYS  21          2HZ       LYS  21  -8.725  -0.990   2.859
  143   3HZ   LYS  21          3HZ       LYS  21  -7.375  -1.741   3.548
  144    H    CYS  22           H        CYS  22  -4.113  -3.207   1.462
  145    HA   CYS  22           HA       CYS  22  -4.382  -2.368  -1.341
  146   1HB   CYS  22          1HB       CYS  22  -3.673  -5.056  -0.244
  147   2HB   CYS  22          2HB       CYS  22  -4.577  -4.947  -1.754
  148    H    ILE  23           H        ILE  23  -6.406  -2.148  -1.985
  149    HA   ILE  23           HA       ILE  23  -8.535  -3.135  -0.251
  150    HB   ILE  23           HB       ILE  23  -8.329  -0.691  -0.911
  151   1HG1  ILE  23          1HG1      ILE  23 -10.956  -0.857  -1.700
  152   2HG1  ILE  23          2HG1      ILE  23 -10.699  -2.401  -0.894
  153   1HG2  ILE  23          1HG2      ILE  23  -8.200  -1.701  -3.489
  154   2HG2  ILE  23          2HG2      ILE  23  -8.354  -0.011  -3.012
  155   3HG2  ILE  23          3HG2      ILE  23  -9.795  -0.957  -3.378
  156   1HD1  ILE  23          1HD1      ILE  23 -10.989   0.243   0.226
  157   2HD1  ILE  23          2HD1      ILE  23  -9.534  -0.568   0.807
  158   3HD1  ILE  23          3HD1      ILE  23 -11.110  -1.336   1.003
  159    H    ASN  24           H        ASN  24 -10.334  -2.785  -2.839
  160    HA   ASN  24           HA       ASN  24 -10.883  -5.317  -3.419
  161   1HB   ASN  24          1HB       ASN  24 -11.363  -2.804  -4.688
  162   2HB   ASN  24          2HB       ASN  24 -11.005  -4.002  -5.930
  163   1HD2  ASN  24          1HD2      ASN  24 -12.881  -3.744  -2.920
  164   2HD2  ASN  24          2HD2      ASN  24 -14.276  -4.564  -3.525
  165    H    SER  25           H        SER  25  -8.383  -3.416  -5.023
  166    HA   SER  25           HA       SER  25  -6.624  -5.537  -5.355
  167   1HB   SER  25          1HB       SER  25  -8.632  -5.864  -7.142
  168   2HB   SER  25          2HB       SER  25  -7.530  -4.866  -8.090
  169    HG   SER  25           HG       SER  25  -6.912  -7.327  -6.812
  170    H    LYS  26           H        LYS  26  -6.663  -2.740  -4.607
  171    HA   LYS  26           HA       LYS  26  -4.472  -1.859  -6.320
  172   1HB   LYS  26          1HB       LYS  26  -5.343   0.326  -6.677
  173   2HB   LYS  26          2HB       LYS  26  -6.600  -0.815  -7.127
  174   1HG   LYS  26          1HG       LYS  26  -7.076  -0.245  -4.443
  175   2HG   LYS  26          2HG       LYS  26  -6.653   1.302  -5.179
  176   1HD   LYS  26          1HD       LYS  26  -8.725  -0.604  -6.269
  177   2HD   LYS  26          2HD       LYS  26  -9.088   0.781  -5.239
  178   1HE   LYS  26          1HE       LYS  26  -9.352   1.861  -7.195
  179   2HE   LYS  26          2HE       LYS  26  -7.594   1.968  -7.157
  180   1HZ   LYS  26          1HZ       LYS  26  -8.697  -0.454  -8.336
  181   2HZ   LYS  26          2HZ       LYS  26  -7.383   0.488  -8.826
  182   3HZ   LYS  26          3HZ       LYS  26  -8.955   0.974  -9.208
  183    H    CYS  27           H        CYS  27  -2.799  -1.231  -5.181
  184    HA   CYS  27           HA       CYS  27  -2.826  -1.114  -2.363
  185   1HB   CYS  27          1HB       CYS  27  -0.865  -1.949  -3.273
  186   2HB   CYS  27          2HB       CYS  27  -0.813  -0.744  -4.537
  187    H    LYS  28           H        LYS  28  -2.909   0.512  -1.073
  188    HA   LYS  28           HA       LYS  28  -2.902   3.259  -2.131
  189   1HB   LYS  28          1HB       LYS  28  -5.163   2.672  -1.500
  190   2HB   LYS  28          2HB       LYS  28  -4.614   2.068   0.055
  191   1HG   LYS  28          1HG       LYS  28  -3.823   4.431   0.524
  192   2HG   LYS  28          2HG       LYS  28  -4.760   4.909  -0.892
  193   1HD   LYS  28          1HD       LYS  28  -6.242   3.198   0.953
  194   2HD   LYS  28          2HD       LYS  28  -5.709   4.712   1.688
  195   1HE   LYS  28          1HE       LYS  28  -6.789   5.988  -0.049
  196   2HE   LYS  28          2HE       LYS  28  -7.205   4.516  -0.924
  197   1HZ   LYS  28          1HZ       LYS  28  -8.882   5.745   0.712
  198   2HZ   LYS  28          2HZ       LYS  28  -8.155   4.699   1.824
  199   3HZ   LYS  28          3HZ       LYS  28  -8.923   4.076   0.450
  200    H    CYS  29           H        CYS  29  -1.923   4.836  -0.827
  201    HA   CYS  29           HA       CYS  29  -0.102   3.709   1.175
  202   1HB   CYS  29          1HB       CYS  29   0.090   6.167  -0.551
  203   2HB   CYS  29          2HB       CYS  29   1.161   5.887   0.818
  204    H    TYR  30           H        TYR  30   0.276   4.733   3.120
  205    HA   TYR  30           HA       TYR  30  -2.025   6.190   4.172
  206   1HB   TYR  30          1HB       TYR  30   0.315   4.836   5.529
  207   2HB   TYR  30          2HB       TYR  30  -0.935   5.719   6.390
  208    HD1  TYR  30           1HD      TYR  30  -1.103   3.520   7.632
  209    HD2  TYR  30           2HD      TYR  30  -2.202   3.913   3.542
  210    HE1  TYR  30           1HE      TYR  30  -2.448   1.472   7.802
  211    HE2  TYR  30           2HE      TYR  30  -3.545   1.867   3.700
  212    HH   TYR  30           HH       TYR  30  -4.617   0.569   6.378
  213    H    LYS  31           H        LYS  31  -0.976   7.958   2.676
  214    HA   LYS  31           HA       LYS  31   1.308   9.352   3.491
  215   1HB   LYS  31          1HB       LYS  31   0.202  11.333   2.306
  216   2HB   LYS  31          2HB       LYS  31   0.502   9.890   1.349
  217   1HG   LYS  31          1HG       LYS  31  -1.784   9.284   1.374
  218   2HG   LYS  31          2HG       LYS  31  -2.155  10.470   2.624
  219   1HD   LYS  31          1HD       LYS  31  -1.847  12.282   1.132
  220   2HD   LYS  31          2HD       LYS  31  -1.098  11.245  -0.083
  221   1HE   LYS  31          1HE       LYS  31  -3.878  10.640   0.799
  222   2HE   LYS  31          2HE       LYS  31  -3.615  12.004  -0.287
  223   1HZ   LYS  31          1HZ       LYS  31  -3.126   9.138  -0.766
  224   2HZ   LYS  31          2HZ       LYS  31  -2.273  10.300  -1.651
  225   3HZ   LYS  31          3HZ       LYS  31  -3.962  10.251  -1.728
  Start of MODEL    4
    1   1H    ALA   1          1H        ALA   1  -3.029  -9.112  -9.873
    2   2H    ALA   1          2H        ALA   1  -1.808  -9.539 -11.002
    3   3H    ALA   1          3H        ALA   1  -1.559  -8.230  -9.919
    4    HA   ALA   1           HA       ALA   1  -1.623 -11.109  -9.382
    5   1HB   ALA   1          1HB       ALA   1   0.567 -10.598  -9.706
    6   2HB   ALA   1          2HB       ALA   1   0.450 -10.163  -8.002
    7   3HB   ALA   1          3HB       ALA   1   0.359  -8.910  -9.239
    8    H    ALA   2           H        ALA   2  -0.983 -11.449  -6.946
    9    HA   ALA   2           HA       ALA   2  -3.218 -10.601  -5.408
   10   1HB   ALA   2          1HB       ALA   2  -2.602 -12.188  -3.923
   11   2HB   ALA   2          2HB       ALA   2  -0.898 -11.738  -3.978
   12   3HB   ALA   2          3HB       ALA   2  -1.590 -12.733  -5.260
   13    H    CYS   3           H        CYS   3  -3.475  -8.724  -4.426
   14    HA   CYS   3           HA       CYS   3  -1.214  -6.972  -3.960
   15   1HB   CYS   3          1HB       CYS   3  -3.583  -6.323  -4.839
   16   2HB   CYS   3          2HB       CYS   3  -4.035  -6.346  -3.140
   17    H    TYR   4           H        TYR   4  -0.092  -6.988  -2.127
   18    HA   TYR   4           HA       TYR   4  -1.395  -7.976   0.323
   19   1HB   TYR   4          1HB       TYR   4   1.285  -8.339  -0.807
   20   2HB   TYR   4          2HB       TYR   4   1.296  -7.895   0.892
   21    HD1  TYR   4           1HD      TYR   4  -0.531 -10.245  -1.380
   22    HD2  TYR   4           2HD      TYR   4   1.258  -9.604   2.426
   23    HE1  TYR   4           1HE      TYR   4  -1.032 -12.572  -0.759
   24    HE2  TYR   4           2HE      TYR   4   0.767 -11.928   3.057
   25    HH   TYR   4           HH       TYR   4   0.350 -14.117   1.869
   26    H    SER   5           H        SER   5  -1.428  -6.767   2.155
   27    HA   SER   5           HA       SER   5  -1.091  -3.958   1.914
   28   1HB   SER   5          1HB       SER   5  -1.469  -4.104   4.498
   29   2HB   SER   5          2HB       SER   5  -2.786  -4.535   3.408
   30    HG   SER   5           HG       SER   5  -2.372  -6.065   5.137
   31    H    SER   6           H        SER   6   0.930  -6.536   3.152
   32    HA   SER   6           HA       SER   6   2.735  -4.827   4.570
   33   1HB   SER   6          1HB       SER   6   2.336  -7.515   4.589
   34   2HB   SER   6          2HB       SER   6   3.766  -7.417   3.562
   35    HG   SER   6           HG       SER   6   4.914  -6.608   5.204
   36    H    ASP   7           H        ASP   7   2.645  -6.241   1.332
   37    HA   ASP   7           HA       ASP   7   5.213  -5.273   0.539
   38   1HB   ASP   7          1HB       ASP   7   3.399  -7.038  -0.530
   39   2HB   ASP   7          2HB       ASP   7   3.203  -5.646  -1.583
   40    H    CYS   8           H        CYS   8   1.884  -4.197   0.103
   41    HA   CYS   8           HA       CYS   8   2.255  -1.932  -1.444
   42   1HB   CYS   8          1HB       CYS   8   0.046  -2.796  -0.796
   43   2HB   CYS   8          2HB       CYS   8   0.337  -2.311   0.863
   44    H    ARG   9           H        ARG   9   2.233  -2.214   2.081
   45    HA   ARG   9           HA       ARG   9   2.813   0.412   2.724
   46   1HB   ARG   9          1HB       ARG   9   2.125  -1.166   4.416
   47   2HB   ARG   9          2HB       ARG   9   3.577  -2.131   4.161
   48   1HG   ARG   9          1HG       ARG   9   4.742   0.166   4.721
   49   2HG   ARG   9          2HG       ARG   9   3.226   0.435   5.580
   50   1HD   ARG   9          1HD       ARG   9   4.665  -0.535   7.173
   51   2HD   ARG   9          2HD       ARG   9   3.603  -1.843   6.648
   52    HE   ARG   9           HE       ARG   9   6.073  -1.692   5.177
   53   1HH1  ARG   9          1HH1      ARG   9   4.521  -2.980   8.039
   54   2HH1  ARG   9          2HH1      ARG   9   5.645  -4.285   8.212
   55   1HH2  ARG   9          1HH2      ARG   9   7.553  -3.414   5.411
   56   2HH2  ARG   9          2HH2      ARG   9   7.368  -4.531   6.720
   57    H    VAL  10           H        VAL  10   5.089  -2.301   2.175
   58    HA   VAL  10           HA       VAL  10   7.457  -0.942   2.710
   59    HB   VAL  10           HB       VAL  10   7.000  -3.081   0.616
   60   1HG1  VAL  10          1HG1      VAL  10   9.579  -2.206   1.919
   61   2HG1  VAL  10          2HG1      VAL  10   9.099  -1.855   0.259
   62   3HG1  VAL  10          3HG1      VAL  10   9.389  -3.521   0.760
   63   1HG2  VAL  10          1HG2      VAL  10   7.102  -4.648   2.224
   64   2HG2  VAL  10          2HG2      VAL  10   6.621  -3.332   3.293
   65   3HG2  VAL  10          3HG2      VAL  10   8.321  -3.773   3.147
   66    H    LYS  11           H        LYS  11   5.586  -1.109  -0.301
   67    HA   LYS  11           HA       LYS  11   7.385   0.429  -1.857
   68   1HB   LYS  11          1HB       LYS  11   4.463  -0.224  -2.136
   69   2HB   LYS  11          2HB       LYS  11   5.284   0.825  -3.282
   70   1HG   LYS  11          1HG       LYS  11   6.965  -1.293  -3.253
   71   2HG   LYS  11          2HG       LYS  11   5.417  -2.087  -2.950
   72   1HD   LYS  11          1HD       LYS  11   4.617  -0.555  -4.936
   73   2HD   LYS  11          2HD       LYS  11   6.336  -0.556  -5.338
   74   1HE   LYS  11          1HE       LYS  11   5.352  -2.339  -6.551
   75   2HE   LYS  11          2HE       LYS  11   6.255  -3.066  -5.225
   76   1HZ   LYS  11          1HZ       LYS  11   4.340  -4.190  -4.945
   77   2HZ   LYS  11          2HZ       LYS  11   3.390  -3.015  -5.708
   78   3HZ   LYS  11          3HZ       LYS  11   3.860  -2.805  -4.097
   79    H    CYS  12           H        CYS  12   4.803   1.231   0.343
   80    HA   CYS  12           HA       CYS  12   4.682   4.002  -0.423
   81   1HB   CYS  12          1HB       CYS  12   3.582   2.556   1.997
   82   2HB   CYS  12          2HB       CYS  12   3.265   4.243   1.615
   83    H    VAL  13           H        VAL  13   6.316   2.092   2.068
   84    HA   VAL  13           HA       VAL  13   7.284   4.269   3.599
   85    HB   VAL  13           HB       VAL  13   8.402   1.482   3.262
   86   1HG1  VAL  13          1HG1      VAL  13   9.269   3.784   4.912
   87   2HG1  VAL  13          2HG1      VAL  13  10.211   2.460   4.226
   88   3HG1  VAL  13          3HG1      VAL  13   9.263   2.201   5.690
   89   1HG2  VAL  13          1HG2      VAL  13   7.067   0.782   4.983
   90   2HG2  VAL  13          2HG2      VAL  13   6.014   1.995   4.254
   91   3HG2  VAL  13          3HG2      VAL  13   6.949   2.392   5.696
   92    H    ALA  14           H        ALA  14   8.405   2.674   0.688
   93    HA   ALA  14           HA       ALA  14  10.965   4.027   0.683
   94   1HB   ALA  14          1HB       ALA  14  10.225   1.671  -0.319
   95   2HB   ALA  14          2HB       ALA  14  11.567   2.610  -0.972
   96   3HB   ALA  14          3HB       ALA  14   9.985   2.673  -1.749
   97    H    MET  15           H        MET  15   7.779   4.503  -0.698
   98    HA   MET  15           HA       MET  15   8.780   6.544  -2.534
   99   1HB   MET  15          1HB       MET  15   6.046   5.332  -2.124
  100   2HB   MET  15          2HB       MET  15   6.337   6.686  -3.208
  101   1HG   MET  15          1HG       MET  15   8.243   4.841  -3.958
  102   2HG   MET  15          2HG       MET  15   6.830   3.855  -3.588
  103   1HE   MET  15          1HE       MET  15   7.188   7.031  -6.887
  104   2HE   MET  15          2HE       MET  15   8.469   6.485  -5.806
  105   3HE   MET  15          3HE       MET  15   7.185   7.530  -5.196
  106    H    GLY  16           H        GLY  16   8.484   6.683   0.584
  107   1HA   GLY  16          1HA       GLY  16   8.305   8.499   2.000
  108   2HA   GLY  16          2HA       GLY  16   7.862   9.484   0.615
  109    H    PHE  17           H        PHE  17   6.525   6.926   2.704
  110    HA   PHE  17           HA       PHE  17   4.073   8.486   2.991
  111   1HB   PHE  17          1HB       PHE  17   4.141   5.647   1.957
  112   2HB   PHE  17          2HB       PHE  17   2.688   6.413   2.591
  113    HD1  PHE  17           1HD      PHE  17   1.605   8.202   1.376
  114    HD2  PHE  17           2HD      PHE  17   5.023   6.228  -0.191
  115    HE1  PHE  17           1HE      PHE  17   1.115   9.136  -0.851
  116    HE2  PHE  17           2HE      PHE  17   4.547   7.155  -2.422
  117    HZ   PHE  17           HZ       PHE  17   2.589   8.613  -2.753
  118    H    SER  18           H        SER  18   2.617   7.473   4.704
  119    HA   SER  18           HA       SER  18   4.319   6.650   6.911
  120   1HB   SER  18          1HB       SER  18   2.358   8.458   6.888
  121   2HB   SER  18          2HB       SER  18   1.397   7.042   7.315
  122    HG   SER  18           HG       SER  18   2.165   7.211   9.250
  123    H    SER  19           H        SER  19   2.669   5.016   4.602
  124    HA   SER  19           HA       SER  19   3.015   2.477   5.371
  125   1HB   SER  19          1HB       SER  19   0.939   3.634   7.059
  126   2HB   SER  19          2HB       SER  19   0.381   2.204   6.196
  127    HG   SER  19           HG       SER  19   1.333   1.291   7.873
  128    H    GLY  20           H        GLY  20   0.896   1.004   4.657
  129   1HA   GLY  20          1HA       GLY  20  -0.573   2.132   2.461
  130   2HA   GLY  20          2HA       GLY  20   0.763   1.133   1.920
  131    H    LYS  21           H        LYS  21  -1.963   0.587   1.365
  132    HA   LYS  21           HA       LYS  21  -2.168  -2.039   2.602
  133   1HB   LYS  21          1HB       LYS  21  -4.579  -1.786   2.988
  134   2HB   LYS  21          2HB       LYS  21  -3.640  -0.678   3.956
  135   1HG   LYS  21          1HG       LYS  21  -4.106   1.067   2.182
  136   2HG   LYS  21          2HG       LYS  21  -5.279  -0.074   1.525
  137   1HD   LYS  21          1HD       LYS  21  -6.544  -0.042   3.568
  138   2HD   LYS  21          2HD       LYS  21  -5.309   0.931   4.367
  139   1HE   LYS  21          1HE       LYS  21  -5.743   2.752   2.759
  140   2HE   LYS  21          2HE       LYS  21  -7.026   1.781   2.039
  141   1HZ   LYS  21          1HZ       LYS  21  -6.994   3.247   4.554
  142   2HZ   LYS  21          2HZ       LYS  21  -7.797   1.759   4.571
  143   3HZ   LYS  21          3HZ       LYS  21  -8.272   2.961   3.481
  144    H    CYS  22           H        CYS  22  -4.173  -3.125   1.575
  145    HA   CYS  22           HA       CYS  22  -4.220  -2.559  -1.306
  146   1HB   CYS  22          1HB       CYS  22  -3.551  -5.105   0.096
  147   2HB   CYS  22          2HB       CYS  22  -4.369  -5.180  -1.464
  148    H    ILE  23           H        ILE  23  -6.180  -2.442  -2.141
  149    HA   ILE  23           HA       ILE  23  -8.451  -3.347  -0.542
  150    HB   ILE  23           HB       ILE  23  -8.181  -0.927  -1.333
  151   1HG1  ILE  23          1HG1      ILE  23 -10.758  -1.195  -2.285
  152   2HG1  ILE  23          2HG1      ILE  23 -10.535  -2.644  -1.312
  153   1HG2  ILE  23          1HG2      ILE  23  -9.490  -1.393  -3.868
  154   2HG2  ILE  23          2HG2      ILE  23  -7.874  -2.095  -3.821
  155   3HG2  ILE  23          3HG2      ILE  23  -8.101  -0.383  -3.478
  156   1HD1  ILE  23          1HD1      ILE  23  -9.497  -0.621   0.256
  157   2HD1  ILE  23          2HD1      ILE  23 -11.068  -1.400   0.441
  158   3HD1  ILE  23          3HD1      ILE  23 -10.929   0.092  -0.488
  159    H    ASN  24           H        ASN  24 -10.079  -3.207  -3.196
  160    HA   ASN  24           HA       ASN  24 -10.428  -5.782  -3.756
  161   1HB   ASN  24          1HB       ASN  24 -11.016  -3.329  -5.092
  162   2HB   ASN  24          2HB       ASN  24 -10.499  -4.506  -6.293
  163   1HD2  ASN  24          1HD2      ASN  24 -13.075  -3.360  -4.530
  164   2HD2  ASN  24          2HD2      ASN  24 -14.170  -4.674  -4.766
  165    H    SER  25           H        SER  25  -8.003  -3.723  -5.268
  166    HA   SER  25           HA       SER  25  -6.050  -5.680  -5.481
  167   1HB   SER  25          1HB       SER  25  -7.979  -6.097  -7.418
  168   2HB   SER  25          2HB       SER  25  -6.747  -5.178  -8.283
  169    HG   SER  25           HG       SER  25  -5.546  -6.895  -8.280
  170    H    LYS  26           H        LYS  26  -6.331  -2.952  -4.723
  171    HA   LYS  26           HA       LYS  26  -4.260  -1.775  -6.433
  172   1HB   LYS  26          1HB       LYS  26  -6.907  -0.539  -5.735
  173   2HB   LYS  26          2HB       LYS  26  -5.508   0.468  -6.074
  174   1HG   LYS  26          1HG       LYS  26  -5.612   0.091  -8.279
  175   2HG   LYS  26          2HG       LYS  26  -6.012  -1.614  -8.073
  176   1HD   LYS  26          1HD       LYS  26  -8.118   0.283  -7.273
  177   2HD   LYS  26          2HD       LYS  26  -7.739   0.262  -8.997
  178   1HE   LYS  26          1HE       LYS  26  -7.844  -2.421  -8.286
  179   2HE   LYS  26          2HE       LYS  26  -9.162  -1.684  -7.376
  180   1HZ   LYS  26          1HZ       LYS  26  -9.451  -2.521  -9.852
  181   2HZ   LYS  26          2HZ       LYS  26  -8.917  -0.953 -10.195
  182   3HZ   LYS  26          3HZ       LYS  26 -10.302  -1.189  -9.254
  183    H    CYS  27           H        CYS  27  -2.585  -1.352  -5.175
  184    HA   CYS  27           HA       CYS  27  -2.702  -1.174  -2.361
  185   1HB   CYS  27          1HB       CYS  27  -0.726  -2.058  -3.189
  186   2HB   CYS  27          2HB       CYS  27  -0.605  -0.871  -4.464
  187    H    LYS  28           H        LYS  28  -2.865   0.487  -1.122
  188    HA   LYS  28           HA       LYS  28  -2.734   3.198  -2.257
  189   1HB   LYS  28          1HB       LYS  28  -4.298   3.600  -0.116
  190   2HB   LYS  28          2HB       LYS  28  -4.944   3.229  -1.704
  191   1HG   LYS  28          1HG       LYS  28  -4.325   0.888  -0.046
  192   2HG   LYS  28          2HG       LYS  28  -5.593   1.937   0.583
  193   1HD   LYS  28          1HD       LYS  28  -5.648   1.134  -2.291
  194   2HD   LYS  28          2HD       LYS  28  -6.174  -0.016  -1.062
  195   1HE   LYS  28          1HE       LYS  28  -8.160   0.977  -1.035
  196   2HE   LYS  28          2HE       LYS  28  -7.388   2.432  -0.412
  197   1HZ   LYS  28          1HZ       LYS  28  -8.696   2.186  -2.800
  198   2HZ   LYS  28          2HZ       LYS  28  -7.063   2.184  -3.240
  199   3HZ   LYS  28          3HZ       LYS  28  -7.695   3.468  -2.339
  200    H    CYS  29           H        CYS  29  -1.918   4.850  -0.825
  201    HA   CYS  29           HA       CYS  29  -0.140   3.710   1.214
  202   1HB   CYS  29          1HB       CYS  29   0.125   6.198  -0.468
  203   2HB   CYS  29          2HB       CYS  29   1.162   5.857   0.912
  204    H    TYR  30           H        TYR  30   0.217   4.809   3.145
  205    HA   TYR  30           HA       TYR  30  -2.153   6.195   4.144
  206   1HB   TYR  30          1HB       TYR  30   0.216   4.964   5.561
  207   2HB   TYR  30          2HB       TYR  30  -1.090   5.806   6.382
  208    HD1  TYR  30           1HD      TYR  30  -2.273   3.960   3.558
  209    HD2  TYR  30           2HD      TYR  30  -1.133   3.575   7.638
  210    HE1  TYR  30           1HE      TYR  30  -3.536   1.870   3.704
  211    HE2  TYR  30           2HE      TYR  30  -2.400   1.476   7.798
  212    HH   TYR  30           HH       TYR  30  -4.386   0.427   6.575
  213    H    LYS  31           H        LYS  31  -1.158   7.993   2.644
  214    HA   LYS  31           HA       LYS  31   1.052   9.493   3.254
  215   1HB   LYS  31          1HB       LYS  31  -1.373   9.893   1.782
  216   2HB   LYS  31          2HB       LYS  31  -1.022  11.352   2.696
  217   1HG   LYS  31          1HG       LYS  31   1.088  11.606   1.655
  218   2HG   LYS  31          2HG       LYS  31   1.003   9.992   0.951
  219   1HD   LYS  31          1HD       LYS  31   0.307  11.100  -0.885
  220   2HD   LYS  31          2HD       LYS  31  -1.253  11.084  -0.062
  221   1HE   LYS  31          1HE       LYS  31   0.087  13.296   0.977
  222   2HE   LYS  31          2HE       LYS  31   0.459  13.315  -0.745
  223   1HZ   LYS  31          1HZ       LYS  31  -2.077  13.745   0.612
  224   2HZ   LYS  31          2HZ       LYS  31  -2.157  12.854  -0.822
  225   3HZ   LYS  31          3HZ       LYS  31  -1.493  14.410  -0.829
  Start of MODEL    5
    1   1H    ALA   1          1H        ALA   1   2.045 -10.652  -9.567
    2   2H    ALA   1          2H        ALA   1   1.567 -11.284  -8.044
    3   3H    ALA   1          3H        ALA   1   1.391  -9.609  -8.375
    4    HA   ALA   1           HA       ALA   1  -0.085 -10.294 -10.253
    5   1HB   ALA   1          1HB       ALA   1   0.285 -12.577 -10.501
    6   2HB   ALA   1          2HB       ALA   1  -1.262 -12.508  -9.656
    7   3HB   ALA   1          3HB       ALA   1   0.214 -12.880  -8.764
    8    H    ALA   2           H        ALA   2  -0.355 -11.434  -6.867
    9    HA   ALA   2           HA       ALA   2  -2.931 -10.113  -6.615
   10   1HB   ALA   2          1HB       ALA   2  -2.304 -12.424  -5.655
   11   2HB   ALA   2          2HB       ALA   2  -3.252 -11.320  -4.658
   12   3HB   ALA   2          3HB       ALA   2  -1.522 -11.505  -4.367
   13    H    CYS   3           H        CYS   3  -3.403  -8.681  -4.804
   14    HA   CYS   3           HA       CYS   3  -1.228  -6.777  -4.393
   15   1HB   CYS   3          1HB       CYS   3  -3.637  -6.199  -5.192
   16   2HB   CYS   3          2HB       CYS   3  -4.067  -6.359  -3.493
   17    H    TYR   4           H        TYR   4  -0.079  -6.783  -2.559
   18    HA   TYR   4           HA       TYR   4  -1.286  -8.001  -0.161
   19   1HB   TYR   4          1HB       TYR   4   1.398  -8.146  -1.329
   20   2HB   TYR   4          2HB       TYR   4   1.401  -7.803   0.389
   21    HD1  TYR   4           1HD      TYR   4   2.117  -9.775   1.382
   22    HD2  TYR   4           2HD      TYR   4  -0.942  -9.945  -1.569
   23    HE1  TYR   4           1HE      TYR   4   1.781 -12.159   1.879
   24    HE2  TYR   4           2HE      TYR   4  -1.287 -12.330  -1.081
   25    HH   TYR   4           HH       TYR   4   0.470 -14.256   0.031
   26    H    SER   5           H        SER   5  -1.375  -6.896   1.726
   27    HA   SER   5           HA       SER   5  -1.125  -4.059   1.620
   28   1HB   SER   5          1HB       SER   5  -1.957  -4.067   3.892
   29   2HB   SER   5          2HB       SER   5  -2.860  -5.265   2.964
   30    HG   SER   5           HG       SER   5  -1.747  -6.881   3.956
   31    H    SER   6           H        SER   6   0.913  -6.656   2.773
   32    HA   SER   6           HA       SER   6   2.613  -4.975   4.361
   33   1HB   SER   6          1HB       SER   6   2.898  -7.799   3.320
   34   2HB   SER   6          2HB       SER   6   4.177  -6.996   4.233
   35    HG   SER   6           HG       SER   6   3.058  -7.240   6.005
   36    H    ASP   7           H        ASP   7   2.668  -6.253   1.075
   37    HA   ASP   7           HA       ASP   7   5.255  -5.221   0.441
   38   1HB   ASP   7          1HB       ASP   7   3.494  -6.981  -0.757
   39   2HB   ASP   7          2HB       ASP   7   3.397  -5.573  -1.803
   40    H    CYS   8           H        CYS   8   1.921  -4.188  -0.078
   41    HA   CYS   8           HA       CYS   8   2.338  -1.872  -1.553
   42   1HB   CYS   8          1HB       CYS   8   0.111  -2.810  -1.014
   43   2HB   CYS   8          2HB       CYS   8   0.313  -2.300   0.650
   44    H    ARG   9           H        ARG   9   2.168  -2.268   1.962
   45    HA   ARG   9           HA       ARG   9   2.660   0.353   2.703
   46   1HB   ARG   9          1HB       ARG   9   1.953  -1.353   4.299
   47   2HB   ARG   9          2HB       ARG   9   3.500  -2.173   4.128
   48   1HG   ARG   9          1HG       ARG   9   4.523  -0.783   5.514
   49   2HG   ARG   9          2HG       ARG   9   3.767   0.633   4.783
   50   1HD   ARG   9          1HD       ARG   9   3.087   0.462   7.099
   51   2HD   ARG   9          2HD       ARG   9   1.705   0.145   6.052
   52    HE   ARG   9           HE       ARG   9   1.629  -2.007   6.839
   53   1HH1  ARG   9          1HH1      ARG   9   4.661  -0.551   7.817
   54   2HH1  ARG   9          2HH1      ARG   9   5.082  -1.847   8.883
   55   1HH2  ARG   9          1HH2      ARG   9   2.193  -3.719   8.237
   56   2HH2  ARG   9          2HH2      ARG   9   3.680  -3.649   9.122
   57    H    VAL  10           H        VAL  10   5.013  -2.299   2.175
   58    HA   VAL  10           HA       VAL  10   7.316  -0.871   2.843
   59    HB   VAL  10           HB       VAL  10   7.047  -3.032   0.744
   60   1HG1  VAL  10          1HG1      VAL  10   9.257  -2.984   0.436
   61   2HG1  VAL  10          2HG1      VAL  10   9.572  -2.894   2.169
   62   3HG1  VAL  10          3HG1      VAL  10   9.240  -1.422   1.256
   63   1HG2  VAL  10          1HG2      VAL  10   8.192  -3.718   3.353
   64   2HG2  VAL  10          2HG2      VAL  10   7.027  -4.589   2.359
   65   3HG2  VAL  10          3HG2      VAL  10   6.486  -3.274   3.400
   66    H    LYS  11           H        LYS  11   5.517  -1.016  -0.193
   67    HA   LYS  11           HA       LYS  11   7.380   0.483  -1.720
   68   1HB   LYS  11          1HB       LYS  11   4.420   0.037  -2.103
   69   2HB   LYS  11          2HB       LYS  11   5.459   0.815  -3.285
   70   1HG   LYS  11          1HG       LYS  11   6.820  -1.312  -3.306
   71   2HG   LYS  11          2HG       LYS  11   5.518  -2.043  -2.369
   72   1HD   LYS  11          1HD       LYS  11   3.998  -1.098  -4.265
   73   2HD   LYS  11          2HD       LYS  11   5.499  -1.056  -5.190
   74   1HE   LYS  11          1HE       LYS  11   4.335  -3.136  -5.601
   75   2HE   LYS  11          2HE       LYS  11   5.828  -3.451  -4.718
   76   1HZ   LYS  11          1HZ       LYS  11   3.674  -4.606  -3.971
   77   2HZ   LYS  11          2HZ       LYS  11   3.284  -3.120  -3.266
   78   3HZ   LYS  11          3HZ       LYS  11   4.685  -3.940  -2.790
   79    H    CYS  12           H        CYS  12   4.767   1.329   0.432
   80    HA   CYS  12           HA       CYS  12   4.768   4.109  -0.362
   81   1HB   CYS  12          1HB       CYS  12   3.440   2.776   2.001
   82   2HB   CYS  12          2HB       CYS  12   3.116   4.404   1.411
   83    H    VAL  13           H        VAL  13   6.074   2.128   2.265
   84    HA   VAL  13           HA       VAL  13   6.963   4.241   3.912
   85    HB   VAL  13           HB       VAL  13   8.044   1.438   3.602
   86   1HG1  VAL  13          1HG1      VAL  13   9.789   2.280   4.759
   87   2HG1  VAL  13          2HG1      VAL  13   8.691   2.142   6.130
   88   3HG1  VAL  13          3HG1      VAL  13   8.882   3.689   5.307
   89   1HG2  VAL  13          1HG2      VAL  13   6.163   0.838   4.623
   90   2HG2  VAL  13          2HG2      VAL  13   5.692   2.518   4.877
   91   3HG2  VAL  13          3HG2      VAL  13   6.732   1.707   6.048
   92    H    ALA  14           H        ALA  14   8.355   2.640   1.114
   93    HA   ALA  14           HA       ALA  14  10.890   4.030   1.366
   94   1HB   ALA  14          1HB       ALA  14  10.218   2.570  -1.109
   95   2HB   ALA  14          2HB       ALA  14  10.322   1.625   0.376
   96   3HB   ALA  14          3HB       ALA  14  11.705   2.579  -0.163
   97    H    MET  15           H        MET  15   7.853   4.471  -0.286
   98    HA   MET  15           HA       MET  15   9.019   6.398  -2.146
   99   1HB   MET  15          1HB       MET  15   6.262   5.213  -1.873
  100   2HB   MET  15          2HB       MET  15   6.581   6.583  -2.925
  101   1HG   MET  15          1HG       MET  15   8.004   3.942  -3.119
  102   2HG   MET  15          2HG       MET  15   6.583   4.376  -4.064
  103   1HE   MET  15          1HE       MET  15   8.574   4.986  -7.099
  104   2HE   MET  15          2HE       MET  15   6.943   5.395  -6.565
  105   3HE   MET  15          3HE       MET  15   7.637   3.825  -6.163
  106    H    GLY  16           H        GLY  16   8.533   6.688   0.932
  107   1HA   GLY  16          1HA       GLY  16   8.333   8.578   2.240
  108   2HA   GLY  16          2HA       GLY  16   7.965   9.498   0.793
  109    H    PHE  17           H        PHE  17   6.489   7.051   2.925
  110    HA   PHE  17           HA       PHE  17   4.064   8.670   3.051
  111   1HB   PHE  17          1HB       PHE  17   4.104   5.791   2.123
  112   2HB   PHE  17          2HB       PHE  17   2.647   6.614   2.670
  113    HD1  PHE  17           1HD      PHE  17   5.080   6.267  -0.010
  114    HD2  PHE  17           2HD      PHE  17   1.654   8.381   1.344
  115    HE1  PHE  17           1HE      PHE  17   4.715   7.122  -2.288
  116    HE2  PHE  17           2HE      PHE  17   1.280   9.247  -0.928
  117    HZ   PHE  17           HZ       PHE  17   2.812   8.616  -2.750
  118    H    SER  18           H        SER  18   2.449   7.481   4.639
  119    HA   SER  18           HA       SER  18   4.050   6.691   6.965
  120   1HB   SER  18          1HB       SER  18   1.929   8.544   6.662
  121   2HB   SER  18          2HB       SER  18   1.327   7.231   7.671
  122    HG   SER  18           HG       SER  18   2.766   9.198   8.484
  123    H    SER  19           H        SER  19   2.304   5.221   4.617
  124    HA   SER  19           HA       SER  19   2.275   2.704   5.747
  125   1HB   SER  19          1HB       SER  19   0.012   4.315   6.619
  126   2HB   SER  19          2HB       SER  19  -0.520   2.865   5.763
  127    HG   SER  19           HG       SER  19   0.864   3.122   8.174
  128    H    GLY  20           H        GLY  20   0.707   1.175   4.568
  129   1HA   GLY  20          1HA       GLY  20  -0.413   2.007   2.092
  130   2HA   GLY  20          2HA       GLY  20   1.147   1.239   1.850
  131    H    LYS  21           H        LYS  21  -1.786   0.450   1.281
  132    HA   LYS  21           HA       LYS  21  -1.443  -2.317   2.050
  133   1HB   LYS  21          1HB       LYS  21  -4.141  -1.290   2.705
  134   2HB   LYS  21          2HB       LYS  21  -3.201  -2.560   3.481
  135   1HG   LYS  21          1HG       LYS  21  -1.915  -0.974   4.672
  136   2HG   LYS  21          2HG       LYS  21  -2.608   0.347   3.735
  137   1HD   LYS  21          1HD       LYS  21  -4.760   0.026   4.746
  138   2HD   LYS  21          2HD       LYS  21  -4.223  -1.466   5.525
  139   1HE   LYS  21          1HE       LYS  21  -2.410   0.198   6.547
  140   2HE   LYS  21          2HE       LYS  21  -3.698   1.364   6.253
  141   1HZ   LYS  21          1HZ       LYS  21  -3.590  -0.851   8.151
  142   2HZ   LYS  21          2HZ       LYS  21  -5.092  -0.529   7.444
  143   3HZ   LYS  21          3HZ       LYS  21  -4.290   0.679   8.315
  144    H    CYS  22           H        CYS  22  -3.778  -3.351   1.436
  145    HA   CYS  22           HA       CYS  22  -4.366  -2.421  -1.289
  146   1HB   CYS  22          1HB       CYS  22  -3.859  -5.216  -0.293
  147   2HB   CYS  22          2HB       CYS  22  -4.651  -4.895  -1.836
  148    H    ILE  23           H        ILE  23  -6.444  -2.179  -1.773
  149    HA   ILE  23           HA       ILE  23  -8.432  -2.944   0.214
  150    HB   ILE  23           HB       ILE  23  -8.229  -0.587  -0.663
  151   1HG1  ILE  23          1HG1      ILE  23 -10.895  -0.711  -1.301
  152   2HG1  ILE  23          2HG1      ILE  23 -10.655  -2.205  -0.401
  153   1HG2  ILE  23          1HG2      ILE  23  -8.324  -1.850  -3.159
  154   2HG2  ILE  23          2HG2      ILE  23  -8.266  -0.121  -2.817
  155   3HG2  ILE  23          3HG2      ILE  23  -9.821  -0.926  -3.017
  156   1HD1  ILE  23          1HD1      ILE  23  -9.329  -0.282   1.090
  157   2HD1  ILE  23          2HD1      ILE  23 -10.900  -1.005   1.444
  158   3HD1  ILE  23          3HD1      ILE  23 -10.810   0.510   0.547
  159    H    ASN  24           H        ASN  24 -10.395  -2.736  -2.327
  160    HA   ASN  24           HA       ASN  24 -11.116  -5.284  -2.582
  161   1HB   ASN  24          1HB       ASN  24 -11.512  -2.913  -4.125
  162   2HB   ASN  24          2HB       ASN  24 -11.261  -4.262  -5.227
  163   1HD2  ASN  24          1HD2      ASN  24 -13.128  -3.269  -2.396
  164   2HD2  ASN  24          2HD2      ASN  24 -14.544  -4.180  -2.793
  165    H    SER  25           H        SER  25  -8.641  -3.702  -4.534
  166    HA   SER  25           HA       SER  25  -6.944  -5.898  -4.656
  167   1HB   SER  25          1HB       SER  25  -9.071  -6.286  -6.375
  168   2HB   SER  25          2HB       SER  25  -7.831  -5.613  -7.434
  169    HG   SER  25           HG       SER  25  -7.582  -7.887  -5.750
  170    H    LYS  26           H        LYS  26  -6.811  -3.120  -4.171
  171    HA   LYS  26           HA       LYS  26  -4.749  -2.407  -6.112
  172   1HB   LYS  26          1HB       LYS  26  -7.218  -0.791  -5.553
  173   2HB   LYS  26          2HB       LYS  26  -5.724  -0.003  -6.043
  174   1HG   LYS  26          1HG       LYS  26  -5.885  -1.905  -7.935
  175   2HG   LYS  26          2HG       LYS  26  -7.600  -1.654  -7.604
  176   1HD   LYS  26          1HD       LYS  26  -5.931   0.772  -7.925
  177   2HD   LYS  26          2HD       LYS  26  -6.219  -0.190  -9.375
  178   1HE   LYS  26          1HE       LYS  26  -8.435   0.708  -7.545
  179   2HE   LYS  26          2HE       LYS  26  -7.872   1.676  -8.906
  180   1HZ   LYS  26          1HZ       LYS  26  -8.363  -0.296 -10.337
  181   2HZ   LYS  26          2HZ       LYS  26  -9.724   0.428  -9.642
  182   3HZ   LYS  26          3HZ       LYS  26  -9.118  -1.014  -9.003
  183    H    CYS  27           H        CYS  27  -2.988  -1.755  -5.095
  184    HA   CYS  27           HA       CYS  27  -2.855  -1.380  -2.314
  185   1HB   CYS  27          1HB       CYS  27  -0.947  -2.302  -3.244
  186   2HB   CYS  27          2HB       CYS  27  -0.970  -1.223  -4.618
  187    H    LYS  28           H        LYS  28  -2.829   0.387  -1.151
  188    HA   LYS  28           HA       LYS  28  -2.828   3.005  -2.505
  189   1HB   LYS  28          1HB       LYS  28  -5.095   2.506  -1.821
  190   2HB   LYS  28          2HB       LYS  28  -4.557   2.114  -0.198
  191   1HG   LYS  28          1HG       LYS  28  -4.510   4.255   0.441
  192   2HG   LYS  28          2HG       LYS  28  -3.836   4.804  -1.095
  193   1HD   LYS  28          1HD       LYS  28  -5.859   5.286  -1.951
  194   2HD   LYS  28          2HD       LYS  28  -6.603   3.843  -1.261
  195   1HE   LYS  28          1HE       LYS  28  -6.857   4.915   0.867
  196   2HE   LYS  28          2HE       LYS  28  -5.907   6.303   0.337
  197   1HZ   LYS  28          1HZ       LYS  28  -8.686   5.633  -0.223
  198   2HZ   LYS  28          2HZ       LYS  28  -7.820   6.343  -1.487
  199   3HZ   LYS  28          3HZ       LYS  28  -7.961   7.145  -0.006
  200    H    CYS  29           H        CYS  29  -1.803   4.684  -1.439
  201    HA   CYS  29           HA       CYS  29  -0.054   3.825   0.755
  202   1HB   CYS  29          1HB       CYS  29   0.251   5.988  -1.317
  203   2HB   CYS  29          2HB       CYS  29   1.229   5.953   0.147
  204    H    TYR  30           H        TYR  30   0.129   4.963   2.608
  205    HA   TYR  30           HA       TYR  30  -1.936   7.005   3.064
  206   1HB   TYR  30          1HB       TYR  30  -0.832   4.934   4.952
  207   2HB   TYR  30          2HB       TYR  30  -1.943   6.223   5.421
  208    HD1  TYR  30           1HD      TYR  30  -4.055   6.409   3.832
  209    HD2  TYR  30           2HD      TYR  30  -1.765   2.889   4.441
  210    HE1  TYR  30           1HE      TYR  30  -5.985   5.042   3.136
  211    HE2  TYR  30           2HE      TYR  30  -3.674   1.513   3.753
  212    HH   TYR  30           HH       TYR  30  -6.354   2.732   2.166
  213    H    LYS  31           H        LYS  31  -0.343   8.469   2.298
  214    HA   LYS  31           HA       LYS  31   2.125   9.008   3.469
  215   1HB   LYS  31          1HB       LYS  31   1.628  11.432   2.694
  216   2HB   LYS  31          2HB       LYS  31   1.760  10.164   1.486
  217   1HG   LYS  31          1HG       LYS  31  -0.950  10.549   2.485
  218   2HG   LYS  31          2HG       LYS  31  -0.275  11.968   1.686
  219   1HD   LYS  31          1HD       LYS  31  -0.055  10.881  -0.346
  220   2HD   LYS  31          2HD       LYS  31  -0.022   9.283   0.399
  221   1HE   LYS  31          1HE       LYS  31  -2.115   9.514  -0.719
  222   2HE   LYS  31          2HE       LYS  31  -2.421   9.600   1.014
  223   1HZ   LYS  31          1HZ       LYS  31  -2.109  12.176   0.464
  224   2HZ   LYS  31          2HZ       LYS  31  -3.607  11.395   0.389
  225   3HZ   LYS  31          3HZ       LYS  31  -2.720  11.651  -1.027
  Start of MODEL    6
    1   1H    ALA   1          1H        ALA   1  -1.540  -9.175 -11.201
    2   2H    ALA   1          2H        ALA   1  -0.829  -9.440  -9.663
    3   3H    ALA   1          3H        ALA   1  -1.645  -7.966  -9.993
    4    HA   ALA   1           HA       ALA   1  -3.701  -8.968 -10.060
    5   1HB   ALA   1          1HB       ALA   1  -2.781 -11.715  -9.511
    6   2HB   ALA   1          2HB       ALA   1  -2.471 -11.110 -11.139
    7   3HB   ALA   1          3HB       ALA   1  -4.116 -11.138 -10.507
    8    H    ALA   2           H        ALA   2  -1.344 -10.813  -8.081
    9    HA   ALA   2           HA       ALA   2  -2.963 -10.620  -5.736
   10   1HB   ALA   2          1HB       ALA   2  -1.517 -12.081  -4.796
   11   2HB   ALA   2          2HB       ALA   2  -0.093 -11.256  -5.428
   12   3HB   ALA   2          3HB       ALA   2  -1.029 -12.325  -6.473
   13    H    CYS   3           H        CYS   3  -2.991  -9.115  -4.184
   14    HA   CYS   3           HA       CYS   3  -0.869  -7.064  -4.175
   15   1HB   CYS   3          1HB       CYS   3  -3.277  -6.463  -5.026
   16   2HB   CYS   3          2HB       CYS   3  -3.677  -6.451  -3.313
   17    H    TYR   4           H        TYR   4   0.226  -6.960  -2.305
   18    HA   TYR   4           HA       TYR   4  -1.021  -8.108   0.104
   19   1HB   TYR   4          1HB       TYR   4   1.724  -8.115  -0.960
   20   2HB   TYR   4          2HB       TYR   4   1.608  -7.806   0.762
   21    HD1  TYR   4           1HD      TYR   4   1.294  -9.561   2.270
   22    HD2  TYR   4           2HD      TYR   4   0.574 -10.220  -1.872
   23    HE1  TYR   4           1HE      TYR   4   1.044 -11.966   2.703
   24    HE2  TYR   4           2HE      TYR   4   0.320 -12.628  -1.450
   25    HH   TYR   4           HH       TYR   4   1.385 -14.185   1.042
   26    H    SER   5           H        SER   5  -1.202  -6.957   1.962
   27    HA   SER   5           HA       SER   5  -1.057  -4.108   1.780
   28   1HB   SER   5          1HB       SER   5  -2.818  -5.259   3.085
   29   2HB   SER   5          2HB       SER   5  -1.584  -5.847   4.202
   30    HG   SER   5           HG       SER   5  -1.758  -4.017   5.195
   31    H    SER   6           H        SER   6   1.008  -6.611   3.089
   32    HA   SER   6           HA       SER   6   2.611  -4.822   4.663
   33   1HB   SER   6          1HB       SER   6   2.655  -7.710   3.988
   34   2HB   SER   6          2HB       SER   6   4.230  -6.981   4.311
   35    HG   SER   6           HG       SER   6   1.968  -6.828   6.026
   36    H    ASP   7           H        ASP   7   2.803  -6.237   1.435
   37    HA   ASP   7           HA       ASP   7   5.385  -5.169   0.835
   38   1HB   ASP   7          1HB       ASP   7   3.727  -7.019  -0.347
   39   2HB   ASP   7          2HB       ASP   7   3.578  -5.647  -1.436
   40    H    CYS   8           H        CYS   8   2.050  -4.249   0.165
   41    HA   CYS   8           HA       CYS   8   2.414  -1.982  -1.376
   42   1HB   CYS   8          1HB       CYS   8   0.212  -2.930  -0.855
   43   2HB   CYS   8          2HB       CYS   8   0.383  -2.434   0.817
   44    H    ARG   9           H        ARG   9   2.192  -2.220   2.150
   45    HA   ARG   9           HA       ARG   9   2.628   0.449   2.757
   46   1HB   ARG   9          1HB       ARG   9   1.882  -1.089   4.455
   47   2HB   ARG   9          2HB       ARG   9   3.371  -2.019   4.323
   48   1HG   ARG   9          1HG       ARG   9   4.552  -0.570   5.550
   49   2HG   ARG   9          2HG       ARG   9   3.709   0.832   4.893
   50   1HD   ARG   9          1HD       ARG   9   2.653   0.966   6.859
   51   2HD   ARG   9          2HD       ARG   9   1.765  -0.475   6.364
   52    HE   ARG   9           HE       ARG   9   4.299  -1.031   7.615
   53   1HH1  ARG   9          1HH1      ARG   9   0.894  -0.442   8.172
   54   2HH1  ARG   9          2HH1      ARG   9   0.874  -1.272   9.693
   55   1HH2  ARG   9          1HH2      ARG   9   4.271  -2.119   9.614
   56   2HH2  ARG   9          2HH2      ARG   9   2.794  -2.223  10.513
   57    H    VAL  10           H        VAL  10   5.026  -2.200   2.432
   58    HA   VAL  10           HA       VAL  10   7.295  -0.723   3.099
   59    HB   VAL  10           HB       VAL  10   7.096  -2.962   1.073
   60   1HG1  VAL  10          1HG1      VAL  10   9.594  -2.743   2.535
   61   2HG1  VAL  10          2HG1      VAL  10   9.263  -1.308   1.566
   62   3HG1  VAL  10          3HG1      VAL  10   9.311  -2.895   0.801
   63   1HG2  VAL  10          1HG2      VAL  10   7.045  -4.453   2.739
   64   2HG2  VAL  10          2HG2      VAL  10   6.509  -3.105   3.739
   65   3HG2  VAL  10          3HG2      VAL  10   8.213  -3.556   3.709
   66    H    LYS  11           H        LYS  11   5.584  -1.023   0.023
   67    HA   LYS  11           HA       LYS  11   7.436   0.437  -1.539
   68   1HB   LYS  11          1HB       LYS  11   4.592  -0.396  -1.841
   69   2HB   LYS  11          2HB       LYS  11   5.187   0.879  -2.892
   70   1HG   LYS  11          1HG       LYS  11   6.958  -1.434  -2.767
   71   2HG   LYS  11          2HG       LYS  11   5.344  -1.804  -3.378
   72   1HD   LYS  11          1HD       LYS  11   5.568  -0.413  -5.203
   73   2HD   LYS  11          2HD       LYS  11   6.792   0.591  -4.419
   74   1HE   LYS  11          1HE       LYS  11   8.291  -1.472  -4.521
   75   2HE   LYS  11          2HE       LYS  11   7.105  -2.136  -5.641
   76   1HZ   LYS  11          1HZ       LYS  11   7.451   0.057  -6.900
   77   2HZ   LYS  11          2HZ       LYS  11   8.648  -1.132  -7.018
   78   3HZ   LYS  11          3HZ       LYS  11   8.877   0.196  -5.995
   79    H    CYS  12           H        CYS  12   4.750   1.358   0.502
   80    HA   CYS  12           HA       CYS  12   4.773   4.105  -0.355
   81   1HB   CYS  12          1HB       CYS  12   3.438   2.832   2.038
   82   2HB   CYS  12          2HB       CYS  12   3.123   4.452   1.421
   83    H    VAL  13           H        VAL  13   6.040   2.244   2.385
   84    HA   VAL  13           HA       VAL  13   6.922   4.420   3.936
   85    HB   VAL  13           HB       VAL  13   8.016   1.611   3.738
   86   1HG1  VAL  13          1HG1      VAL  13   8.772   3.917   5.455
   87   2HG1  VAL  13          2HG1      VAL  13   9.771   2.626   4.791
   88   3HG1  VAL  13          3HG1      VAL  13   8.740   2.315   6.189
   89   1HG2  VAL  13          1HG2      VAL  13   5.688   2.774   5.025
   90   2HG2  VAL  13          2HG2      VAL  13   6.726   1.915   6.163
   91   3HG2  VAL  13          3HG2      VAL  13   6.099   1.082   4.740
   92    H    ALA  14           H        ALA  14   8.349   2.715   1.212
   93    HA   ALA  14           HA       ALA  14  10.865   4.146   1.417
   94   1HB   ALA  14          1HB       ALA  14  10.443   1.705   0.587
   95   2HB   ALA  14          2HB       ALA  14  11.690   2.704  -0.159
   96   3HB   ALA  14          3HB       ALA  14  10.129   2.505  -0.951
   97    H    MET  15           H        MET  15   7.835   4.488  -0.267
   98    HA   MET  15           HA       MET  15   8.983   6.350  -2.202
   99   1HB   MET  15          1HB       MET  15   6.242   5.144  -1.878
  100   2HB   MET  15          2HB       MET  15   6.542   6.477  -2.983
  101   1HG   MET  15          1HG       MET  15   7.984   5.186  -4.316
  102   2HG   MET  15          2HG       MET  15   8.098   3.920  -3.095
  103   1HE   MET  15          1HE       MET  15   4.782   4.785  -6.059
  104   2HE   MET  15          2HE       MET  15   5.933   5.920  -5.352
  105   3HE   MET  15          3HE       MET  15   4.450   5.513  -4.488
  106    H    GLY  16           H        GLY  16   8.497   6.762   0.864
  107   1HA   GLY  16          1HA       GLY  16   8.285   8.712   2.083
  108   2HA   GLY  16          2HA       GLY  16   7.874   9.558   0.603
  109    H    PHE  17           H        PHE  17   6.476   7.122   2.799
  110    HA   PHE  17           HA       PHE  17   4.028   8.704   2.957
  111   1HB   PHE  17          1HB       PHE  17   4.091   5.819   2.048
  112   2HB   PHE  17          2HB       PHE  17   2.632   6.638   2.591
  113    HD1  PHE  17           1HD      PHE  17   1.614   8.367   1.250
  114    HD2  PHE  17           2HD      PHE  17   5.068   6.297  -0.093
  115    HE1  PHE  17           1HE      PHE  17   1.214   9.196  -1.032
  116    HE2  PHE  17           2HE      PHE  17   4.683   7.121  -2.380
  117    HZ   PHE  17           HZ       PHE  17   2.753   8.574  -2.853
  118    H    SER  18           H        SER  18   2.458   7.478   4.578
  119    HA   SER  18           HA       SER  18   4.123   6.716   6.869
  120   1HB   SER  18          1HB       SER  18   2.349   8.715   6.806
  121   2HB   SER  18          2HB       SER  18   1.260   7.409   7.268
  122    HG   SER  18           HG       SER  18   2.453   7.059   9.090
  123    H    SER  19           H        SER  19   2.333   5.215   4.574
  124    HA   SER  19           HA       SER  19   2.367   2.700   5.686
  125   1HB   SER  19          1HB       SER  19   0.183   4.271   6.753
  126   2HB   SER  19          2HB       SER  19  -0.447   2.894   5.841
  127    HG   SER  19           HG       SER  19   0.405   2.815   8.263
  128    H    GLY  20           H        GLY  20   0.641   1.192   4.603
  129   1HA   GLY  20          1HA       GLY  20  -0.550   2.032   2.167
  130   2HA   GLY  20          2HA       GLY  20   0.992   1.251   1.860
  131    H    LYS  21           H        LYS  21  -1.916   0.478   1.337
  132    HA   LYS  21           HA       LYS  21  -1.574  -2.274   2.151
  133   1HB   LYS  21          1HB       LYS  21  -3.779  -2.527   3.089
  134   2HB   LYS  21          2HB       LYS  21  -2.891  -1.314   3.973
  135   1HG   LYS  21          1HG       LYS  21  -4.106   0.422   2.629
  136   2HG   LYS  21          2HG       LYS  21  -5.106  -0.887   1.999
  137   1HD   LYS  21          1HD       LYS  21  -5.031  -1.179   4.808
  138   2HD   LYS  21          2HD       LYS  21  -5.341   0.526   4.476
  139   1HE   LYS  21          1HE       LYS  21  -6.893  -1.242   2.766
  140   2HE   LYS  21          2HE       LYS  21  -7.204  -1.524   4.476
  141   1HZ   LYS  21          1HZ       LYS  21  -7.699   0.889   2.875
  142   2HZ   LYS  21          2HZ       LYS  21  -7.401   1.057   4.530
  143   3HZ   LYS  21          3HZ       LYS  21  -8.706   0.121   3.999
  144    H    CYS  22           H        CYS  22  -3.624  -3.482   1.357
  145    HA   CYS  22           HA       CYS  22  -4.174  -2.595  -1.392
  146   1HB   CYS  22          1HB       CYS  22  -3.483  -5.336  -0.359
  147   2HB   CYS  22          2HB       CYS  22  -4.237  -5.088  -1.932
  148    H    ILE  23           H        ILE  23  -6.227  -2.498  -1.975
  149    HA   ILE  23           HA       ILE  23  -8.266  -3.454  -0.126
  150    HB   ILE  23           HB       ILE  23  -8.185  -1.071  -0.969
  151   1HG1  ILE  23          1HG1      ILE  23 -10.804  -1.413  -1.754
  152   2HG1  ILE  23          2HG1      ILE  23 -10.481  -2.864  -0.811
  153   1HG2  ILE  23          1HG2      ILE  23  -8.177  -0.570  -3.120
  154   2HG2  ILE  23          2HG2      ILE  23  -9.628  -1.527  -3.408
  155   3HG2  ILE  23          3HG2      ILE  23  -8.040  -2.292  -3.474
  156   1HD1  ILE  23          1HD1      ILE  23 -10.917  -1.662   0.994
  157   2HD1  ILE  23          2HD1      ILE  23 -10.924  -0.160   0.069
  158   3HD1  ILE  23          3HD1      ILE  23  -9.405  -0.803   0.698
  159    H    ASN  24           H        ASN  24 -10.105  -3.374  -2.741
  160    HA   ASN  24           HA       ASN  24 -10.555  -5.971  -3.109
  161   1HB   ASN  24          1HB       ASN  24 -11.127  -3.597  -4.593
  162   2HB   ASN  24          2HB       ASN  24 -10.688  -4.871  -5.725
  163   1HD2  ASN  24          1HD2      ASN  24 -12.570  -4.621  -2.717
  164   2HD2  ASN  24          2HD2      ASN  24 -13.942  -5.487  -3.313
  165    H    SER  25           H        SER  25  -8.163  -4.090  -4.896
  166    HA   SER  25           HA       SER  25  -6.263  -6.116  -5.006
  167   1HB   SER  25          1HB       SER  25  -8.290  -6.459  -6.951
  168   2HB   SER  25          2HB       SER  25  -6.864  -5.886  -7.812
  169    HG   SER  25           HG       SER  25  -7.287  -8.270  -6.447
  170    H    LYS  26           H        LYS  26  -6.432  -3.334  -4.428
  171    HA   LYS  26           HA       LYS  26  -4.376  -2.361  -6.270
  172   1HB   LYS  26          1HB       LYS  26  -6.955  -0.945  -5.630
  173   2HB   LYS  26          2HB       LYS  26  -5.527  -0.071  -6.167
  174   1HG   LYS  26          1HG       LYS  26  -5.570  -1.046  -8.279
  175   2HG   LYS  26          2HG       LYS  26  -6.614  -2.367  -7.753
  176   1HD   LYS  26          1HD       LYS  26  -8.349  -0.514  -7.292
  177   2HD   LYS  26          2HD       LYS  26  -7.325   0.492  -8.316
  178   1HE   LYS  26          1HE       LYS  26  -7.611  -0.975 -10.175
  179   2HE   LYS  26          2HE       LYS  26  -8.406  -2.188  -9.170
  180   1HZ   LYS  26          1HZ       LYS  26  -9.923  -0.816 -10.573
  181   2HZ   LYS  26          2HZ       LYS  26  -9.511   0.528  -9.635
  182   3HZ   LYS  26          3HZ       LYS  26 -10.293  -0.792  -8.922
  183    H    CYS  27           H        CYS  27  -2.672  -1.765  -5.128
  184    HA   CYS  27           HA       CYS  27  -2.711  -1.373  -2.328
  185   1HB   CYS  27          1HB       CYS  27  -0.759  -2.329  -3.141
  186   2HB   CYS  27          2HB       CYS  27  -0.664  -1.231  -4.497
  187    H    LYS  28           H        LYS  28  -2.847   0.387  -1.222
  188    HA   LYS  28           HA       LYS  28  -2.760   2.990  -2.588
  189   1HB   LYS  28          1HB       LYS  28  -4.281   3.650  -0.578
  190   2HB   LYS  28          2HB       LYS  28  -4.981   2.867  -1.982
  191   1HG   LYS  28          1HG       LYS  28  -4.081   1.035   0.126
  192   2HG   LYS  28          2HG       LYS  28  -5.384   2.123   0.595
  193   1HD   LYS  28          1HD       LYS  28  -5.652   0.792  -2.033
  194   2HD   LYS  28          2HD       LYS  28  -5.813  -0.233  -0.606
  195   1HE   LYS  28          1HE       LYS  28  -7.956   0.758  -1.489
  196   2HE   LYS  28          2HE       LYS  28  -7.630   1.041   0.219
  197   1HZ   LYS  28          1HZ       LYS  28  -7.035   3.000  -1.934
  198   2HZ   LYS  28          2HZ       LYS  28  -6.937   3.263  -0.267
  199   3HZ   LYS  28          3HZ       LYS  28  -8.442   3.023  -0.997
  200    H    CYS  29           H        CYS  29  -1.806   4.732  -1.454
  201    HA   CYS  29           HA       CYS  29  -0.055   3.852   0.734
  202   1HB   CYS  29          1HB       CYS  29   0.280   6.009  -1.339
  203   2HB   CYS  29          2HB       CYS  29   1.240   5.978   0.138
  204    H    TYR  30           H        TYR  30   0.115   4.979   2.594
  205    HA   TYR  30           HA       TYR  30  -1.949   7.014   3.056
  206   1HB   TYR  30          1HB       TYR  30  -0.777   4.981   4.951
  207   2HB   TYR  30          2HB       TYR  30  -1.909   6.253   5.418
  208    HD1  TYR  30           1HD      TYR  30  -1.706   2.908   4.575
  209    HD2  TYR  30           2HD      TYR  30  -4.014   6.374   3.746
  210    HE1  TYR  30           1HE      TYR  30  -3.585   1.485   3.925
  211    HE2  TYR  30           2HE      TYR  30  -5.915   4.959   3.083
  212    HH   TYR  30           HH       TYR  30  -5.687   1.810   2.340
  213    H    LYS  31           H        LYS  31  -0.378   8.489   2.245
  214    HA   LYS  31           HA       LYS  31   2.104   9.092   3.307
  215   1HB   LYS  31          1HB       LYS  31   1.552  11.504   2.622
  216   2HB   LYS  31          2HB       LYS  31   1.530  10.273   1.365
  217   1HG   LYS  31          1HG       LYS  31  -0.818  10.257   1.276
  218   2HG   LYS  31          2HG       LYS  31  -0.963  11.124   2.807
  219   1HD   LYS  31          1HD       LYS  31  -0.906  13.089   1.766
  220   2HD   LYS  31          2HD       LYS  31   0.589  12.661   0.932
  221   1HE   LYS  31          1HE       LYS  31  -1.956  11.475  -0.050
  222   2HE   LYS  31          2HE       LYS  31  -1.659  13.180  -0.379
  223   1HZ   LYS  31          1HZ       LYS  31  -0.731  12.162  -2.203
  224   2HZ   LYS  31          2HZ       LYS  31  -0.180  10.822  -1.332
  225   3HZ   LYS  31          3HZ       LYS  31   0.625  12.303  -1.201
  Start of MODEL    7
    1   1H    ALA   1          1H        ALA   1   2.199 -12.081  -8.108
    2   2H    ALA   1          2H        ALA   1   0.803 -12.772  -7.385
    3   3H    ALA   1          3H        ALA   1   1.565 -11.415  -6.661
    4    HA   ALA   1           HA       ALA   1   1.114 -10.241  -8.822
    5   1HB   ALA   1          1HB       ALA   1   0.447 -12.457  -9.908
    6   2HB   ALA   1          2HB       ALA   1  -0.570 -11.052 -10.224
    7   3HB   ALA   1          3HB       ALA   1  -1.086 -12.270  -9.059
    8    H    ALA   2           H        ALA   2  -0.803 -11.873  -6.325
    9    HA   ALA   2           HA       ALA   2  -2.911 -10.033  -6.172
   10   1HB   ALA   2          1HB       ALA   2  -2.867 -10.907  -3.660
   11   2HB   ALA   2          2HB       ALA   2  -1.800 -12.114  -4.378
   12   3HB   ALA   2          3HB       ALA   2  -3.435 -11.903  -5.000
   13    H    CYS   3           H        CYS   3  -3.351  -8.367  -4.655
   14    HA   CYS   3           HA       CYS   3  -1.043  -6.706  -4.115
   15   1HB   CYS   3          1HB       CYS   3  -3.390  -5.962  -4.994
   16   2HB   CYS   3          2HB       CYS   3  -3.851  -6.013  -3.297
   17    H    TYR   4           H        TYR   4   0.096  -7.023  -2.318
   18    HA   TYR   4           HA       TYR   4  -1.280  -7.925   0.120
   19   1HB   TYR   4          1HB       TYR   4   1.432  -8.293  -0.973
   20   2HB   TYR   4          2HB       TYR   4   1.384  -7.944   0.744
   21    HD1  TYR   4           1HD      TYR   4  -0.630 -10.074  -1.597
   22    HD2  TYR   4           2HD      TYR   4   1.536  -9.808   2.058
   23    HE1  TYR   4           1HE      TYR   4  -1.153 -12.428  -1.119
   24    HE2  TYR   4           2HE      TYR   4   1.020 -12.158   2.544
   25    HH   TYR   4           HH       TYR   4  -1.060 -13.801   1.698
   26    H    SER   5           H        SER   5  -1.765  -6.426   1.590
   27    HA   SER   5           HA       SER   5  -0.976  -3.738   1.362
   28   1HB   SER   5          1HB       SER   5  -1.927  -3.504   3.687
   29   2HB   SER   5          2HB       SER   5  -3.020  -4.257   2.523
   30    HG   SER   5           HG       SER   5  -3.007  -5.440   4.445
   31    H    SER   6           H        SER   6   0.597  -6.433   2.908
   32    HA   SER   6           HA       SER   6   2.257  -4.812   4.619
   33   1HB   SER   6          1HB       SER   6   2.074  -7.711   3.938
   34   2HB   SER   6          2HB       SER   6   3.627  -7.117   4.525
   35    HG   SER   6           HG       SER   6   2.674  -6.482   6.412
   36    H    ASP   7           H        ASP   7   2.556  -6.391   1.478
   37    HA   ASP   7           HA       ASP   7   5.281  -5.593   1.057
   38   1HB   ASP   7          1HB       ASP   7   3.597  -7.444  -0.095
   39   2HB   ASP   7          2HB       ASP   7   3.651  -6.193  -1.325
   40    H    CYS   8           H        CYS   8   2.111  -4.505  -0.047
   41    HA   CYS   8           HA       CYS   8   3.041  -2.435  -1.699
   42   1HB   CYS   8          1HB       CYS   8   0.701  -3.647  -1.330
   43   2HB   CYS   8          2HB       CYS   8   0.418  -2.233  -0.339
   44    H    ARG   9           H        ARG   9   2.296  -2.650   1.737
   45    HA   ARG   9           HA       ARG   9   2.298   0.084   2.353
   46   1HB   ARG   9          1HB       ARG   9   1.572  -1.455   4.037
   47   2HB   ARG   9          2HB       ARG   9   3.094  -2.335   3.981
   48   1HG   ARG   9          1HG       ARG   9   4.092  -0.019   4.644
   49   2HG   ARG   9          2HG       ARG   9   2.457   0.280   5.227
   50   1HD   ARG   9          1HD       ARG   9   2.681  -1.129   6.965
   51   2HD   ARG   9          2HD       ARG   9   3.554  -2.324   6.007
   52    HE   ARG   9           HE       ARG   9   5.265  -0.165   6.431
   53   1HH1  ARG   9          1HH1      ARG   9   3.659  -2.636   8.319
   54   2HH1  ARG   9          2HH1      ARG   9   4.884  -2.674   9.542
   55   1HH2  ARG   9          1HH2      ARG   9   6.879  -0.217   8.041
   56   2HH2  ARG   9          2HH2      ARG   9   6.715  -1.298   9.384
   57    H    VAL  10           H        VAL  10   4.916  -2.342   2.158
   58    HA   VAL  10           HA       VAL  10   7.014  -0.649   2.965
   59    HB   VAL  10           HB       VAL  10   7.144  -2.955   1.005
   60   1HG1  VAL  10          1HG1      VAL  10   9.337  -1.659   2.625
   61   2HG1  VAL  10          2HG1      VAL  10   9.119  -1.526   0.879
   62   3HG1  VAL  10          3HG1      VAL  10   9.512  -3.085   1.605
   63   1HG2  VAL  10          1HG2      VAL  10   8.012  -3.240   3.828
   64   2HG2  VAL  10          2HG2      VAL  10   7.294  -4.423   2.735
   65   3HG2  VAL  10          3HG2      VAL  10   6.278  -3.206   3.507
   66    H    LYS  11           H        LYS  11   5.438  -1.149  -0.145
   67    HA   LYS  11           HA       LYS  11   7.246   0.343  -1.715
   68   1HB   LYS  11          1HB       LYS  11   4.301  -0.160  -2.155
   69   2HB   LYS  11          2HB       LYS  11   5.412   0.469  -3.362
   70   1HG   LYS  11          1HG       LYS  11   6.683  -1.623  -3.275
   71   2HG   LYS  11          2HG       LYS  11   5.548  -2.252  -2.077
   72   1HD   LYS  11          1HD       LYS  11   3.993  -2.722  -3.626
   73   2HD   LYS  11          2HD       LYS  11   4.263  -1.208  -4.490
   74   1HE   LYS  11          1HE       LYS  11   4.836  -3.054  -5.926
   75   2HE   LYS  11          2HE       LYS  11   6.300  -2.177  -5.491
   76   1HZ   LYS  11          1HZ       LYS  11   7.040  -4.243  -5.051
   77   2HZ   LYS  11          2HZ       LYS  11   5.494  -4.887  -4.822
   78   3HZ   LYS  11          3HZ       LYS  11   6.243  -4.027  -3.575
   79    H    CYS  12           H        CYS  12   4.520   1.236   0.300
   80    HA   CYS  12           HA       CYS  12   4.419   3.953  -0.654
   81   1HB   CYS  12          1HB       CYS  12   3.230   2.673   1.819
   82   2HB   CYS  12          2HB       CYS  12   2.962   4.346   1.348
   83    H    VAL  13           H        VAL  13   5.740   2.280   2.192
   84    HA   VAL  13           HA       VAL  13   6.733   4.526   3.537
   85    HB   VAL  13           HB       VAL  13   7.747   1.682   3.505
   86   1HG1  VAL  13          1HG1      VAL  13   8.771   2.326   5.729
   87   2HG1  VAL  13          2HG1      VAL  13   8.505   4.006   5.260
   88   3HG1  VAL  13          3HG1      VAL  13   9.562   2.979   4.292
   89   1HG2  VAL  13          1HG2      VAL  13   6.025   3.114   5.523
   90   2HG2  VAL  13          2HG2      VAL  13   6.506   1.419   5.559
   91   3HG2  VAL  13          3HG2      VAL  13   5.427   2.003   4.291
   92    H    ALA  14           H        ALA  14   8.051   2.615   0.897
   93    HA   ALA  14           HA       ALA  14  10.615   3.949   0.940
   94   1HB   ALA  14          1HB       ALA  14  11.306   2.394  -0.553
   95   2HB   ALA  14          2HB       ALA  14   9.767   2.377  -1.415
   96   3HB   ALA  14          3HB       ALA  14   9.931   1.520   0.119
   97    H    MET  15           H        MET  15   7.535   4.425  -0.614
   98    HA   MET  15           HA       MET  15   8.693   6.194  -2.631
   99   1HB   MET  15          1HB       MET  15   5.914   5.130  -2.168
  100   2HB   MET  15          2HB       MET  15   6.225   6.435  -3.303
  101   1HG   MET  15          1HG       MET  15   7.602   5.045  -4.651
  102   2HG   MET  15          2HG       MET  15   7.587   3.763  -3.440
  103   1HE   MET  15          1HE       MET  15   6.395   3.433  -6.859
  104   2HE   MET  15          2HE       MET  15   5.687   1.980  -6.153
  105   3HE   MET  15          3HE       MET  15   7.283   2.523  -5.637
  106    H    GLY  16           H        GLY  16   8.380   6.689   0.436
  107   1HA   GLY  16          1HA       GLY  16   8.401   8.749   1.533
  108   2HA   GLY  16          2HA       GLY  16   7.699   9.496   0.109
  109    H    PHE  17           H        PHE  17   6.673   6.909   2.345
  110    HA   PHE  17           HA       PHE  17   4.346   8.501   3.113
  111   1HB   PHE  17          1HB       PHE  17   4.135   5.736   1.898
  112   2HB   PHE  17          2HB       PHE  17   2.819   6.563   2.718
  113    HD1  PHE  17           1HD      PHE  17   1.711   8.437   1.705
  114    HD2  PHE  17           2HD      PHE  17   4.846   6.407  -0.311
  115    HE1  PHE  17           1HE      PHE  17   1.036   9.511  -0.405
  116    HE2  PHE  17           2HE      PHE  17   4.188   7.473  -2.429
  117    HZ   PHE  17           HZ       PHE  17   2.278   9.029  -2.478
  118    H    SER  18           H        SER  18   3.028   7.133   4.826
  119    HA   SER  18           HA       SER  18   5.011   5.981   6.661
  120   1HB   SER  18          1HB       SER  18   2.945   7.944   7.037
  121   2HB   SER  18          2HB       SER  18   2.663   6.573   8.106
  122    HG   SER  18           HG       SER  18   4.922   8.261   7.944
  123    H    SER  19           H        SER  19   2.707   4.933   4.596
  124    HA   SER  19           HA       SER  19   2.651   2.311   5.508
  125   1HB   SER  19          1HB       SER  19   0.709   4.016   6.848
  126   2HB   SER  19          2HB       SER  19  -0.083   2.700   5.972
  127    HG   SER  19           HG       SER  19   1.794   2.575   8.069
  128    H    GLY  20           H        GLY  20   0.727   1.046   4.486
  129   1HA   GLY  20          1HA       GLY  20  -0.605   2.203   2.261
  130   2HA   GLY  20          2HA       GLY  20   0.810   1.304   1.742
  131    H    LYS  21           H        LYS  21  -2.196   0.835   1.442
  132    HA   LYS  21           HA       LYS  21  -2.158  -1.909   2.498
  133   1HB   LYS  21          1HB       LYS  21  -4.579  -0.121   2.267
  134   2HB   LYS  21          2HB       LYS  21  -4.588  -1.798   2.792
  135   1HG   LYS  21          1HG       LYS  21  -2.891   0.169   4.217
  136   2HG   LYS  21          2HG       LYS  21  -4.628   0.130   4.512
  137   1HD   LYS  21          1HD       LYS  21  -3.415  -2.516   4.545
  138   2HD   LYS  21          2HD       LYS  21  -2.731  -1.435   5.761
  139   1HE   LYS  21          1HE       LYS  21  -5.441  -0.971   5.955
  140   2HE   LYS  21          2HE       LYS  21  -5.357  -2.701   5.634
  141   1HZ   LYS  21          1HZ       LYS  21  -5.183  -1.706   8.062
  142   2HZ   LYS  21          2HZ       LYS  21  -3.543  -1.634   7.660
  143   3HZ   LYS  21          3HZ       LYS  21  -4.361  -3.114   7.611
  144    H    CYS  22           H        CYS  22  -4.107  -3.083   1.465
  145    HA   CYS  22           HA       CYS  22  -4.240  -2.631  -1.419
  146   1HB   CYS  22          1HB       CYS  22  -3.161  -5.013   0.020
  147   2HB   CYS  22          2HB       CYS  22  -3.972  -5.245  -1.527
  148    H    ILE  23           H        ILE  23  -6.252  -2.919  -2.186
  149    HA   ILE  23           HA       ILE  23  -8.212  -4.279  -0.484
  150    HB   ILE  23           HB       ILE  23  -8.337  -1.749  -0.903
  151   1HG1  ILE  23          1HG1      ILE  23 -10.956  -2.255  -1.604
  152   2HG1  ILE  23          2HG1      ILE  23 -10.423  -3.772  -0.887
  153   1HG2  ILE  23          1HG2      ILE  23  -9.892  -1.982  -3.304
  154   2HG2  ILE  23          2HG2      ILE  23  -8.239  -2.538  -3.568
  155   3HG2  ILE  23          3HG2      ILE  23  -8.531  -0.920  -2.933
  156   1HD1  ILE  23          1HD1      ILE  23 -11.029  -1.242   0.371
  157   2HD1  ILE  23          2HD1      ILE  23  -9.445  -1.862   0.836
  158   3HD1  ILE  23          3HD1      ILE  23 -10.886  -2.851   1.074
  159    H    ASN  24           H        ASN  24 -10.166  -4.107  -2.809
  160    HA   ASN  24           HA       ASN  24 -10.126  -6.568  -3.816
  161   1HB   ASN  24          1HB       ASN  24 -11.340  -4.091  -4.565
  162   2HB   ASN  24          2HB       ASN  24 -10.847  -4.946  -6.021
  163   1HD2  ASN  24          1HD2      ASN  24 -13.114  -4.739  -3.509
  164   2HD2  ASN  24          2HD2      ASN  24 -14.047  -6.137  -3.908
  165    H    SER  25           H        SER  25  -8.444  -3.814  -5.237
  166    HA   SER  25           HA       SER  25  -6.247  -5.276  -6.148
  167   1HB   SER  25          1HB       SER  25  -8.041  -6.034  -7.806
  168   2HB   SER  25          2HB       SER  25  -8.037  -4.380  -8.414
  169    HG   SER  25           HG       SER  25  -6.490  -6.258  -9.217
  170    H    LYS  26           H        LYS  26  -6.737  -2.965  -4.674
  171    HA   LYS  26           HA       LYS  26  -5.274  -0.993  -6.261
  172   1HB   LYS  26          1HB       LYS  26  -7.836  -0.451  -4.757
  173   2HB   LYS  26          2HB       LYS  26  -6.722   0.819  -5.238
  174   1HG   LYS  26          1HG       LYS  26  -7.318   0.714  -7.414
  175   2HG   LYS  26          2HG       LYS  26  -7.615  -1.023  -7.368
  176   1HD   LYS  26          1HD       LYS  26  -9.449   0.698  -5.799
  177   2HD   LYS  26          2HD       LYS  26  -9.578   0.785  -7.557
  178   1HE   LYS  26          1HE       LYS  26  -9.704  -1.749  -7.531
  179   2HE   LYS  26          2HE       LYS  26  -9.906  -1.626  -5.784
  180   1HZ   LYS  26          1HZ       LYS  26 -12.070  -1.640  -6.465
  181   2HZ   LYS  26          2HZ       LYS  26 -11.751  -0.857  -7.929
  182   3HZ   LYS  26          3HZ       LYS  26 -11.793   0.030  -6.488
  183    H    CYS  27           H        CYS  27  -3.904   0.300  -5.066
  184    HA   CYS  27           HA       CYS  27  -3.522  -0.491  -2.270
  185   1HB   CYS  27          1HB       CYS  27  -1.732  -0.933  -4.044
  186   2HB   CYS  27          2HB       CYS  27  -1.465   0.803  -4.038
  187    H    LYS  28           H        LYS  28  -3.540   0.976  -0.726
  188    HA   LYS  28           HA       LYS  28  -3.783   3.801  -1.507
  189   1HB   LYS  28          1HB       LYS  28  -4.850   3.881   0.914
  190   2HB   LYS  28          2HB       LYS  28  -5.811   3.506  -0.503
  191   1HG   LYS  28          1HG       LYS  28  -4.550   1.331   1.126
  192   2HG   LYS  28          2HG       LYS  28  -6.073   2.073   1.621
  193   1HD   LYS  28          1HD       LYS  28  -6.078   1.355  -1.194
  194   2HD   LYS  28          2HD       LYS  28  -5.765  -0.038  -0.156
  195   1HE   LYS  28          1HE       LYS  28  -8.134   0.149  -0.507
  196   2HE   LYS  28          2HE       LYS  28  -7.774   0.559   1.169
  197   1HZ   LYS  28          1HZ       LYS  28  -7.751   2.962   0.303
  198   2HZ   LYS  28          2HZ       LYS  28  -9.246   2.201   0.509
  199   3HZ   LYS  28          3HZ       LYS  28  -8.578   2.343  -1.038
  200    H    CYS  29           H        CYS  29  -2.176   5.082  -0.851
  201    HA   CYS  29           HA       CYS  29  -0.273   4.002   1.090
  202   1HB   CYS  29          1HB       CYS  29  -0.113   6.273  -0.881
  203   2HB   CYS  29          2HB       CYS  29   1.052   6.110   0.427
  204    H    TYR  30           H        TYR  30   0.274   5.008   2.964
  205    HA   TYR  30           HA       TYR  30  -1.551   7.134   3.844
  206   1HB   TYR  30          1HB       TYR  30  -0.366   4.859   5.428
  207   2HB   TYR  30          2HB       TYR  30  -1.326   6.171   6.114
  208    HD1  TYR  30           1HD      TYR  30  -3.608   6.590   4.859
  209    HD2  TYR  30           2HD      TYR  30  -1.487   2.910   4.853
  210    HE1  TYR  30           1HE      TYR  30  -5.690   5.395   4.314
  211    HE2  TYR  30           2HE      TYR  30  -3.538   1.715   4.324
  212    HH   TYR  30           HH       TYR  30  -5.699   1.961   3.567
  213    H    LYS  31           H        LYS  31  -0.024   8.583   3.018
  214    HA   LYS  31           HA       LYS  31   2.624   8.913   3.768
  215   1HB   LYS  31          1HB       LYS  31   2.258  11.365   3.329
  216   2HB   LYS  31          2HB       LYS  31   1.766  10.293   2.027
  217   1HG   LYS  31          1HG       LYS  31  -0.190  11.341   2.030
  218   2HG   LYS  31          2HG       LYS  31  -0.516  10.592   3.593
  219   1HD   LYS  31          1HD       LYS  31   0.882  12.603   4.514
  220   2HD   LYS  31          2HD       LYS  31   0.452  13.349   2.974
  221   1HE   LYS  31          1HE       LYS  31  -1.403  14.009   4.054
  222   2HE   LYS  31          2HE       LYS  31  -1.950  12.355   3.782
  223   1HZ   LYS  31          1HZ       LYS  31  -2.249  12.484   6.010
  224   2HZ   LYS  31          2HZ       LYS  31  -1.026  13.629   6.244
  225   3HZ   LYS  31          3HZ       LYS  31  -0.627  11.997   6.029
  Start of MODEL    8
    1   1H    ALA   1          1H        ALA   1  -3.233 -11.042 -10.957
    2   2H    ALA   1          2H        ALA   1  -4.299  -9.930 -10.196
    3   3H    ALA   1          3H        ALA   1  -4.036 -11.481  -9.508
    4    HA   ALA   1           HA       ALA   1  -1.635 -10.828  -9.373
    5   1HB   ALA   1          1HB       ALA   1  -2.658  -8.025  -9.300
    6   2HB   ALA   1          2HB       ALA   1  -2.216  -8.748 -10.848
    7   3HB   ALA   1          3HB       ALA   1  -1.018  -8.621  -9.560
    8    H    ALA   2           H        ALA   2  -1.218 -11.161  -7.293
    9    HA   ALA   2           HA       ALA   2  -3.290 -10.717  -5.320
   10   1HB   ALA   2          1HB       ALA   2  -0.636 -11.697  -4.459
   11   2HB   ALA   2          2HB       ALA   2  -1.524 -12.713  -5.594
   12   3HB   ALA   2          3HB       ALA   2  -2.251 -12.273  -4.049
   13    H    CYS   3           H        CYS   3  -3.456  -8.961  -4.110
   14    HA   CYS   3           HA       CYS   3  -1.145  -7.155  -3.903
   15   1HB   CYS   3          1HB       CYS   3  -3.478  -6.448  -4.845
   16   2HB   CYS   3          2HB       CYS   3  -3.951  -6.390  -3.151
   17    H    TYR   4           H        TYR   4  -0.107  -6.970  -2.017
   18    HA   TYR   4           HA       TYR   4  -1.492  -7.861   0.430
   19   1HB   TYR   4          1HB       TYR   4   1.151  -8.487  -0.635
   20   2HB   TYR   4          2HB       TYR   4   1.215  -7.902   1.018
   21    HD1  TYR   4           1HD      TYR   4   0.536  -9.265   2.824
   22    HD2  TYR   4           2HD      TYR   4  -0.270 -10.500  -1.167
   23    HE1  TYR   4           1HE      TYR   4  -0.125 -11.481   3.651
   24    HE2  TYR   4           2HE      TYR   4  -0.934 -12.722  -0.351
   25    HH   TYR   4           HH       TYR   4  -0.264 -13.828   2.742
   26    H    SER   5           H        SER   5  -1.524  -6.558   2.181
   27    HA   SER   5           HA       SER   5  -1.023  -3.795   1.847
   28   1HB   SER   5          1HB       SER   5  -1.321  -3.939   4.502
   29   2HB   SER   5          2HB       SER   5  -2.687  -4.079   3.397
   30    HG   SER   5           HG       SER   5  -2.594  -5.754   5.003
   31    H    SER   6           H        SER   6   0.882  -6.409   3.191
   32    HA   SER   6           HA       SER   6   2.759  -4.772   4.573
   33   1HB   SER   6          1HB       SER   6   2.600  -7.637   3.775
   34   2HB   SER   6          2HB       SER   6   4.205  -6.989   4.112
   35    HG   SER   6           HG       SER   6   3.588  -7.518   6.085
   36    H    ASP   7           H        ASP   7   2.654  -6.176   1.322
   37    HA   ASP   7           HA       ASP   7   5.234  -5.239   0.546
   38   1HB   ASP   7          1HB       ASP   7   3.391  -6.963  -0.545
   39   2HB   ASP   7          2HB       ASP   7   3.236  -5.561  -1.592
   40    H    CYS   8           H        CYS   8   1.925  -4.097   0.077
   41    HA   CYS   8           HA       CYS   8   2.374  -1.822  -1.442
   42   1HB   CYS   8          1HB       CYS   8   0.132  -2.643  -0.851
   43   2HB   CYS   8          2HB       CYS   8   0.399  -2.191   0.819
   44    H    ARG   9           H        ARG   9   2.286  -2.159   2.077
   45    HA   ARG   9           HA       ARG   9   2.882   0.445   2.782
   46   1HB   ARG   9          1HB       ARG   9   2.178  -1.183   4.429
   47   2HB   ARG   9          2HB       ARG   9   3.642  -2.128   4.171
   48   1HG   ARG   9          1HG       ARG   9   4.809   0.122   4.802
   49   2HG   ARG   9          2HG       ARG   9   3.267   0.438   5.597
   50   1HD   ARG   9          1HD       ARG   9   3.554  -1.237   7.134
   51   2HD   ARG   9          2HD       ARG   9   4.565  -2.197   6.057
   52    HE   ARG   9           HE       ARG   9   6.414  -1.097   6.845
   53   1HH1  ARG   9          1HH1      ARG   9   3.549   0.637   7.881
   54   2HH1  ARG   9          2HH1      ARG   9   4.418   1.664   8.973
   55   1HH2  ARG   9          1HH2      ARG   9   7.552   0.262   8.282
   56   2HH2  ARG   9          2HH2      ARG   9   6.690   1.453   9.200
   57    H    VAL  10           H        VAL  10   5.155  -2.261   2.185
   58    HA   VAL  10           HA       VAL  10   7.512  -0.881   2.764
   59    HB   VAL  10           HB       VAL  10   7.107  -3.031   0.672
   60   1HG1  VAL  10          1HG1      VAL  10   9.500  -1.598   1.617
   61   2HG1  VAL  10          2HG1      VAL  10   9.197  -2.419   0.088
   62   3HG1  VAL  10          3HG1      VAL  10   9.654  -3.351   1.515
   63   1HG2  VAL  10          1HG2      VAL  10   7.250  -4.610   2.278
   64   2HG2  VAL  10          2HG2      VAL  10   6.648  -3.315   3.311
   65   3HG2  VAL  10          3HG2      VAL  10   8.373  -3.670   3.258
   66    H    LYS  11           H        LYS  11   5.640  -1.051  -0.229
   67    HA   LYS  11           HA       LYS  11   7.435   0.488  -1.799
   68   1HB   LYS  11          1HB       LYS  11   4.486  -0.080  -2.092
   69   2HB   LYS  11          2HB       LYS  11   5.424   0.802  -3.288
   70   1HG   LYS  11          1HG       LYS  11   6.897  -1.493  -2.922
   71   2HG   LYS  11          2HG       LYS  11   5.229  -2.059  -2.799
   72   1HD   LYS  11          1HD       LYS  11   5.988  -2.177  -5.103
   73   2HD   LYS  11          2HD       LYS  11   4.718  -0.962  -4.942
   74   1HE   LYS  11          1HE       LYS  11   7.046   0.463  -4.499
   75   2HE   LYS  11          2HE       LYS  11   7.492  -0.669  -5.775
   76   1HZ   LYS  11          1HZ       LYS  11   6.646   1.006  -7.025
   77   2HZ   LYS  11          2HZ       LYS  11   5.571   1.533  -5.831
   78   3HZ   LYS  11          3HZ       LYS  11   5.205   0.163  -6.754
   79    H    CYS  12           H        CYS  12   4.874   1.273   0.426
   80    HA   CYS  12           HA       CYS  12   4.733   4.040  -0.371
   81   1HB   CYS  12          1HB       CYS  12   3.581   2.609   2.030
   82   2HB   CYS  12          2HB       CYS  12   3.252   4.284   1.605
   83    H    VAL  13           H        VAL  13   6.307   2.150   2.183
   84    HA   VAL  13           HA       VAL  13   7.206   4.329   3.736
   85    HB   VAL  13           HB       VAL  13   8.393   1.572   3.398
   86   1HG1  VAL  13          1HG1      VAL  13  10.163   2.468   4.458
   87   2HG1  VAL  13          2HG1      VAL  13   9.134   2.391   5.887
   88   3HG1  VAL  13          3HG1      VAL  13   9.259   3.894   4.972
   89   1HG2  VAL  13          1HG2      VAL  13   5.975   2.135   4.414
   90   2HG2  VAL  13          2HG2      VAL  13   6.959   2.346   5.861
   91   3HG2  VAL  13          3HG2      VAL  13   6.986   0.811   4.995
   92    H    ALA  14           H        ALA  14   8.480   2.746   0.871
   93    HA   ALA  14           HA       ALA  14  10.963   4.245   0.933
   94   1HB   ALA  14          1HB       ALA  14   9.982   2.555  -1.337
   95   2HB   ALA  14          2HB       ALA  14  10.706   1.852   0.108
   96   3HB   ALA  14          3HB       ALA  14  11.641   2.957  -0.900
   97    H    MET  15           H        MET  15   7.805   4.540  -0.512
   98    HA   MET  15           HA       MET  15   8.752   6.508  -2.454
   99   1HB   MET  15          1HB       MET  15   6.053   5.243  -1.977
  100   2HB   MET  15          2HB       MET  15   6.296   6.561  -3.114
  101   1HG   MET  15          1HG       MET  15   7.910   4.049  -3.294
  102   2HG   MET  15          2HG       MET  15   6.297   4.153  -3.994
  103   1HE   MET  15          1HE       MET  15   5.549   5.946  -5.524
  104   2HE   MET  15          2HE       MET  15   6.550   6.676  -6.779
  105   3HE   MET  15          3HE       MET  15   6.450   7.425  -5.184
  106    H    GLY  16           H        GLY  16   8.448   6.792   0.657
  107   1HA   GLY  16          1HA       GLY  16   8.227   8.671   1.978
  108   2HA   GLY  16          2HA       GLY  16   7.748   9.575   0.551
  109    H    PHE  17           H        PHE  17   6.475   7.033   2.711
  110    HA   PHE  17           HA       PHE  17   3.998   8.556   2.988
  111   1HB   PHE  17          1HB       PHE  17   4.105   5.698   2.005
  112   2HB   PHE  17          2HB       PHE  17   2.642   6.466   2.614
  113    HD1  PHE  17           1HD      PHE  17   1.549   8.215   1.355
  114    HD2  PHE  17           2HD      PHE  17   4.996   6.243  -0.151
  115    HE1  PHE  17           1HE      PHE  17   1.066   9.097  -0.894
  116    HE2  PHE  17           2HE      PHE  17   4.525   7.119  -2.403
  117    HZ   PHE  17           HZ       PHE  17   2.557   8.551  -2.775
  118    H    SER  18           H        SER  18   2.540   7.465   4.689
  119    HA   SER  18           HA       SER  18   4.263   6.716   6.916
  120   1HB   SER  18          1HB       SER  18   1.958   8.321   6.691
  121   2HB   SER  18          2HB       SER  18   1.492   6.927   7.669
  122    HG   SER  18           HG       SER  18   2.484   8.833   8.763
  123    H    SER  19           H        SER  19   2.621   5.040   4.624
  124    HA   SER  19           HA       SER  19   2.993   2.516   5.470
  125   1HB   SER  19          1HB       SER  19   0.784   3.706   6.996
  126   2HB   SER  19          2HB       SER  19   0.374   2.176   6.223
  127    HG   SER  19           HG       SER  19   2.150   2.712   8.277
  128    H    GLY  20           H        GLY  20   0.945   0.988   4.701
  129   1HA   GLY  20          1HA       GLY  20  -0.496   2.038   2.456
  130   2HA   GLY  20          2HA       GLY  20   0.893   1.093   1.954
  131    H    LYS  21           H        LYS  21  -1.840   0.468   1.373
  132    HA   LYS  21           HA       LYS  21  -1.929  -2.190   2.548
  133   1HB   LYS  21          1HB       LYS  21  -4.306  -2.060   3.044
  134   2HB   LYS  21          2HB       LYS  21  -3.424  -0.861   3.955
  135   1HG   LYS  21          1HG       LYS  21  -4.085   0.817   2.203
  136   2HG   LYS  21          2HG       LYS  21  -5.145  -0.425   1.538
  137   1HD   LYS  21          1HD       LYS  21  -6.142  -0.583   3.888
  138   2HD   LYS  21          2HD       LYS  21  -5.299   0.929   4.217
  139   1HE   LYS  21          1HE       LYS  21  -6.988   0.759   1.773
  140   2HE   LYS  21          2HE       LYS  21  -7.791   0.892   3.339
  141   1HZ   LYS  21          1HZ       LYS  21  -7.316   3.045   2.187
  142   2HZ   LYS  21          2HZ       LYS  21  -5.669   2.764   2.449
  143   3HZ   LYS  21          3HZ       LYS  21  -6.715   2.938   3.765
  144    H    CYS  22           H        CYS  22  -4.038  -3.237   1.534
  145    HA   CYS  22           HA       CYS  22  -4.083  -2.618  -1.334
  146   1HB   CYS  22          1HB       CYS  22  -3.429  -5.202   0.012
  147   2HB   CYS  22          2HB       CYS  22  -4.240  -5.232  -1.554
  148    H    ILE  23           H        ILE  23  -6.054  -2.484  -2.155
  149    HA   ILE  23           HA       ILE  23  -8.300  -3.421  -0.534
  150    HB   ILE  23           HB       ILE  23  -8.044  -0.983  -1.223
  151   1HG1  ILE  23          1HG1      ILE  23 -10.626  -1.169  -2.142
  152   2HG1  ILE  23          2HG1      ILE  23 -10.407  -2.695  -1.291
  153   1HG2  ILE  23          1HG2      ILE  23  -7.978  -0.335  -3.336
  154   2HG2  ILE  23          2HG2      ILE  23  -9.380  -1.316  -3.760
  155   3HG2  ILE  23          3HG2      ILE  23  -7.768  -2.032  -3.767
  156   1HD1  ILE  23          1HD1      ILE  23 -10.751  -0.023  -0.244
  157   2HD1  ILE  23          2HD1      ILE  23  -9.330  -0.824   0.426
  158   3HD1  ILE  23          3HD1      ILE  23 -10.915  -1.585   0.561
  159    H    ASN  24           H        ASN  24  -9.944  -3.133  -3.200
  160    HA   ASN  24           HA       ASN  24 -10.403  -5.677  -3.802
  161   1HB   ASN  24          1HB       ASN  24 -10.876  -3.181  -5.109
  162   2HB   ASN  24          2HB       ASN  24 -10.436  -4.381  -6.319
  163   1HD2  ASN  24          1HD2      ASN  24 -12.794  -3.358  -4.027
  164   2HD2  ASN  24          2HD2      ASN  24 -14.012  -4.509  -4.446
  165    H    SER  25           H        SER  25  -7.873  -3.726  -5.305
  166    HA   SER  25           HA       SER  25  -6.054  -5.813  -5.547
  167   1HB   SER  25          1HB       SER  25  -7.986  -6.167  -7.430
  168   2HB   SER  25          2HB       SER  25  -6.830  -5.182  -8.327
  169    HG   SER  25           HG       SER  25  -5.335  -6.742  -8.146
  170    H    LYS  26           H        LYS  26  -6.191  -3.002  -4.821
  171    HA   LYS  26           HA       LYS  26  -3.942  -2.090  -6.431
  172   1HB   LYS  26          1HB       LYS  26  -4.842   0.052  -6.905
  173   2HB   LYS  26          2HB       LYS  26  -6.054  -1.124  -7.381
  174   1HG   LYS  26          1HG       LYS  26  -6.769  -0.546  -4.798
  175   2HG   LYS  26          2HG       LYS  26  -6.188   1.006  -5.404
  176   1HD   LYS  26          1HD       LYS  26  -7.664   0.463  -7.470
  177   2HD   LYS  26          2HD       LYS  26  -8.455  -0.687  -6.391
  178   1HE   LYS  26          1HE       LYS  26  -9.677   0.964  -5.550
  179   2HE   LYS  26          2HE       LYS  26  -8.204   1.740  -4.973
  180   1HZ   LYS  26          1HZ       LYS  26  -9.811   2.334  -7.335
  181   2HZ   LYS  26          2HZ       LYS  26  -8.136   2.521  -7.485
  182   3HZ   LYS  26          3HZ       LYS  26  -8.978   3.381  -6.297
  183    H    CYS  27           H        CYS  27  -2.350  -1.437  -5.193
  184    HA   CYS  27           HA       CYS  27  -2.527  -1.257  -2.393
  185   1HB   CYS  27          1HB       CYS  27  -0.484  -2.006  -3.172
  186   2HB   CYS  27          2HB       CYS  27  -0.431  -0.846  -4.478
  187    H    LYS  28           H        LYS  28  -2.722   0.380  -1.124
  188    HA   LYS  28           HA       LYS  28  -2.783   3.105  -2.221
  189   1HB   LYS  28          1HB       LYS  28  -4.385   3.380  -0.098
  190   2HB   LYS  28          2HB       LYS  28  -4.995   2.975  -1.691
  191   1HG   LYS  28          1HG       LYS  28  -4.245   0.625  -0.154
  192   2HG   LYS  28          2HG       LYS  28  -5.461   1.606   0.655
  193   1HD   LYS  28          1HD       LYS  28  -5.713   0.819  -2.235
  194   2HD   LYS  28          2HD       LYS  28  -6.289  -0.217  -0.928
  195   1HE   LYS  28          1HE       LYS  28  -8.202   0.931  -1.051
  196   2HE   LYS  28          2HE       LYS  28  -7.328   2.248  -0.273
  197   1HZ   LYS  28          1HZ       LYS  28  -7.881   3.415  -2.073
  198   2HZ   LYS  28          2HZ       LYS  28  -8.309   2.043  -2.961
  199   3HZ   LYS  28          3HZ       LYS  28  -6.693   2.537  -2.899
  200    H    CYS  29           H        CYS  29  -1.792   4.699  -0.993
  201    HA   CYS  29           HA       CYS  29  -0.090   3.665   1.149
  202   1HB   CYS  29          1HB       CYS  29   0.114   6.129  -0.577
  203   2HB   CYS  29          2HB       CYS  29   1.145   5.853   0.824
  204    H    TYR  30           H        TYR  30   0.208   4.769   3.080
  205    HA   TYR  30           HA       TYR  30  -2.181   6.152   4.038
  206   1HB   TYR  30          1HB       TYR  30   0.165   4.925   5.498
  207   2HB   TYR  30          2HB       TYR  30  -1.159   5.766   6.293
  208    HD1  TYR  30           1HD      TYR  30  -1.247   3.552   7.559
  209    HD2  TYR  30           2HD      TYR  30  -2.263   3.899   3.447
  210    HE1  TYR  30           1HE      TYR  30  -2.515   1.455   7.701
  211    HE2  TYR  30           2HE      TYR  30  -3.526   1.811   3.571
  212    HH   TYR  30           HH       TYR  30  -4.551   0.444   6.326
  213    H    LYS  31           H        LYS  31  -1.222   7.942   2.570
  214    HA   LYS  31           HA       LYS  31   1.008   9.437   3.161
  215   1HB   LYS  31          1HB       LYS  31  -1.493   9.889   1.763
  216   2HB   LYS  31          2HB       LYS  31  -0.944  11.349   2.570
  217   1HG   LYS  31          1HG       LYS  31   1.302  10.215   1.286
  218   2HG   LYS  31          2HG       LYS  31  -0.034  10.200   0.133
  219   1HD   LYS  31          1HD       LYS  31   0.537  12.659   1.742
  220   2HD   LYS  31          2HD       LYS  31   1.496  12.297   0.305
  221   1HE   LYS  31          1HE       LYS  31  -0.176  12.826  -1.096
  222   2HE   LYS  31          2HE       LYS  31  -1.394  12.037  -0.093
  223   1HZ   LYS  31          1HZ       LYS  31  -1.653  14.486  -0.309
  224   2HZ   LYS  31          2HZ       LYS  31  -0.207  14.683   0.545
  225   3HZ   LYS  31          3HZ       LYS  31  -1.536  13.948   1.291
  Start of MODEL    9
    1   1H    ALA   1          1H        ALA   1  -0.884  -8.808  -9.900
    2   2H    ALA   1          2H        ALA   1  -2.179  -9.673 -10.624
    3   3H    ALA   1          3H        ALA   1  -0.558 -10.023 -11.065
    4    HA   ALA   1           HA       ALA   1  -1.586 -11.645  -9.575
    5   1HB   ALA   1          1HB       ALA   1   0.704 -10.341  -8.161
    6   2HB   ALA   1          2HB       ALA   1   0.930 -11.007  -9.780
    7   3HB   ALA   1          3HB       ALA   1   0.395 -12.050  -8.462
    8    H    ALA   2           H        ALA   2  -1.304 -11.917  -6.970
    9    HA   ALA   2           HA       ALA   2  -3.490 -10.461  -5.883
   10   1HB   ALA   2          1HB       ALA   2  -1.552 -12.434  -4.710
   11   2HB   ALA   2          2HB       ALA   2  -3.256 -12.661  -5.105
   12   3HB   ALA   2          3HB       ALA   2  -2.796 -11.649  -3.737
   13    H    CYS   3           H        CYS   3  -3.547  -8.932  -4.243
   14    HA   CYS   3           HA       CYS   3  -1.172  -7.260  -4.064
   15   1HB   CYS   3          1HB       CYS   3  -3.354  -6.220  -4.573
   16   2HB   CYS   3          2HB       CYS   3  -3.981  -6.786  -3.030
   17    H    TYR   4           H        TYR   4   0.056  -6.986  -2.280
   18    HA   TYR   4           HA       TYR   4  -0.760  -8.424   0.164
   19   1HB   TYR   4          1HB       TYR   4   1.818  -8.209  -1.250
   20   2HB   TYR   4          2HB       TYR   4   1.915  -8.021   0.492
   21    HD1  TYR   4           1HD      TYR   4   2.417  -9.930   1.658
   22    HD2  TYR   4           2HD      TYR   4   0.138 -10.268  -1.921
   23    HE1  TYR   4           1HE      TYR   4   2.348 -12.369   1.941
   24    HE2  TYR   4           2HE      TYR   4   0.061 -12.708  -1.648
   25    HH   TYR   4           HH       TYR   4   1.497 -14.479  -0.477
   26    H    SER   5           H        SER   5  -1.310  -7.148   1.809
   27    HA   SER   5           HA       SER   5  -1.028  -4.350   1.763
   28   1HB   SER   5          1HB       SER   5  -2.743  -5.657   3.074
   29   2HB   SER   5          2HB       SER   5  -1.469  -6.025   4.237
   30    HG   SER   5           HG       SER   5  -2.940  -4.027   4.455
   31    H    SER   6           H        SER   6   1.124  -6.851   2.855
   32    HA   SER   6           HA       SER   6   2.724  -5.093   4.496
   33   1HB   SER   6          1HB       SER   6   2.992  -7.956   3.590
   34   2HB   SER   6          2HB       SER   6   4.353  -7.123   4.340
   35    HG   SER   6           HG       SER   6   2.505  -8.343   5.609
   36    H    ASP   7           H        ASP   7   2.837  -6.440   1.243
   37    HA   ASP   7           HA       ASP   7   5.407  -5.350   0.599
   38   1HB   ASP   7          1HB       ASP   7   3.717  -7.201  -0.564
   39   2HB   ASP   7          2HB       ASP   7   3.568  -5.820  -1.641
   40    H    CYS   8           H        CYS   8   2.049  -4.466   0.084
   41    HA   CYS   8           HA       CYS   8   2.285  -2.204  -1.481
   42   1HB   CYS   8          1HB       CYS   8   0.123  -3.107  -0.902
   43   2HB   CYS   8          2HB       CYS   8   0.396  -2.798   0.800
   44    H    ARG   9           H        ARG   9   2.207  -2.404   2.054
   45    HA   ARG   9           HA       ARG   9   2.641   0.273   2.608
   46   1HB   ARG   9          1HB       ARG   9   2.000  -1.188   4.381
   47   2HB   ARG   9          2HB       ARG   9   3.431  -2.192   4.155
   48   1HG   ARG   9          1HG       ARG   9   4.856  -0.438   4.915
   49   2HG   ARG   9          2HG       ARG   9   3.503   0.686   4.992
   50   1HD   ARG   9          1HD       ARG   9   3.397   0.102   7.160
   51   2HD   ARG   9          2HD       ARG   9   2.614  -1.359   6.564
   52    HE   ARG   9           HE       ARG   9   5.490  -1.519   6.659
   53   1HH1  ARG   9          1HH1      ARG   9   2.528  -1.990   8.464
   54   2HH1  ARG   9          2HH1      ARG   9   3.232  -3.125   9.563
   55   1HH2  ARG   9          1HH2      ARG   9   6.416  -3.014   8.108
   56   2HH2  ARG   9          2HH2      ARG   9   5.443  -3.708   9.362
   57    H    VAL  10           H        VAL  10   5.038  -2.322   2.071
   58    HA   VAL  10           HA       VAL  10   7.329  -0.817   2.650
   59    HB   VAL  10           HB       VAL  10   7.044  -3.026   0.599
   60   1HG1  VAL  10          1HG1      VAL  10   9.579  -3.244   1.452
   61   2HG1  VAL  10          2HG1      VAL  10   9.368  -1.498   1.595
   62   3HG1  VAL  10          3HG1      VAL  10   9.109  -2.292   0.043
   63   1HG2  VAL  10          1HG2      VAL  10   7.175  -4.562   2.236
   64   2HG2  VAL  10          2HG2      VAL  10   6.582  -3.256   3.262
   65   3HG2  VAL  10          3HG2      VAL  10   8.309  -3.603   3.187
   66    H    LYS  11           H        LYS  11   5.389  -1.054  -0.281
   67    HA   LYS  11           HA       LYS  11   7.131   0.464  -1.930
   68   1HB   LYS  11          1HB       LYS  11   4.158  -0.014  -2.172
   69   2HB   LYS  11          2HB       LYS  11   5.170   0.686  -3.427
   70   1HG   LYS  11          1HG       LYS  11   6.407  -1.387  -3.631
   71   2HG   LYS  11          2HG       LYS  11   5.482  -2.093  -2.305
   72   1HD   LYS  11          1HD       LYS  11   4.147  -2.891  -3.925
   73   2HD   LYS  11          2HD       LYS  11   3.499  -1.252  -3.982
   74   1HE   LYS  11          1HE       LYS  11   5.685  -1.023  -5.587
   75   2HE   LYS  11          2HE       LYS  11   5.199  -2.687  -5.904
   76   1HZ   LYS  11          1HZ       LYS  11   3.152  -2.018  -6.726
   77   2HZ   LYS  11          2HZ       LYS  11   4.198  -0.832  -7.329
   78   3HZ   LYS  11          3HZ       LYS  11   3.221  -0.495  -5.989
   79    H    CYS  12           H        CYS  12   4.592   1.280   0.333
   80    HA   CYS  12           HA       CYS  12   4.498   4.044  -0.511
   81   1HB   CYS  12          1HB       CYS  12   3.272   2.667   1.887
   82   2HB   CYS  12          2HB       CYS  12   3.013   4.355   1.463
   83    H    VAL  13           H        VAL  13   5.976   2.155   2.100
   84    HA   VAL  13           HA       VAL  13   6.921   4.330   3.628
   85    HB   VAL  13           HB       VAL  13   8.030   1.535   3.334
   86   1HG1  VAL  13          1HG1      VAL  13   8.912   3.844   4.961
   87   2HG1  VAL  13          2HG1      VAL  13   9.839   2.492   4.316
   88   3HG1  VAL  13          3HG1      VAL  13   8.864   2.278   5.769
   89   1HG2  VAL  13          1HG2      VAL  13   5.636   2.125   4.312
   90   2HG2  VAL  13          2HG2      VAL  13   6.587   2.455   5.760
   91   3HG2  VAL  13          3HG2      VAL  13   6.648   0.859   5.011
   92    H    ALA  14           H        ALA  14   8.166   2.693   0.782
   93    HA   ALA  14           HA       ALA  14  10.687   4.130   0.850
   94   1HB   ALA  14          1HB       ALA  14  11.417   2.710  -0.782
   95   2HB   ALA  14          2HB       ALA  14   9.819   2.542  -1.504
   96   3HB   ALA  14          3HB       ALA  14  10.202   1.699  -0.004
   97    H    MET  15           H        MET  15   7.546   4.498  -0.607
   98    HA   MET  15           HA       MET  15   8.555   6.388  -2.592
   99   1HB   MET  15          1HB       MET  15   5.843   5.177  -2.081
  100   2HB   MET  15          2HB       MET  15   6.055   6.533  -3.181
  101   1HG   MET  15          1HG       MET  15   7.449   5.256  -4.618
  102   2HG   MET  15          2HG       MET  15   7.541   3.938  -3.451
  103   1HE   MET  15          1HE       MET  15   5.511   5.167  -6.657
  104   2HE   MET  15          2HE       MET  15   5.113   6.200  -5.285
  105   3HE   MET  15          3HE       MET  15   3.893   5.120  -5.960
  106    H    GLY  16           H        GLY  16   8.297   6.750   0.507
  107   1HA   GLY  16          1HA       GLY  16   8.179   8.684   1.772
  108   2HA   GLY  16          2HA       GLY  16   7.651   9.551   0.339
  109    H    PHE  17           H        PHE  17   6.413   7.031   2.546
  110    HA   PHE  17           HA       PHE  17   3.990   8.610   2.952
  111   1HB   PHE  17          1HB       PHE  17   3.979   5.767   1.920
  112   2HB   PHE  17          2HB       PHE  17   2.567   6.568   2.599
  113    HD1  PHE  17           1HD      PHE  17   1.452   8.334   1.408
  114    HD2  PHE  17           2HD      PHE  17   4.815   6.349  -0.257
  115    HE1  PHE  17           1HE      PHE  17   0.895   9.264  -0.805
  116    HE2  PHE  17           2HE      PHE  17   4.273   7.271  -2.476
  117    HZ   PHE  17           HZ       PHE  17   2.308   8.732  -2.750
  118    H    SER  18           H        SER  18   2.621   7.646   4.737
  119    HA   SER  18           HA       SER  18   4.401   6.802   6.863
  120   1HB   SER  18          1HB       SER  18   1.467   7.191   7.297
  121   2HB   SER  18          2HB       SER  18   2.814   7.548   8.376
  122    HG   SER  18           HG       SER  18   3.303   9.343   7.133
  123    H    SER  19           H        SER  19   2.644   5.167   4.616
  124    HA   SER  19           HA       SER  19   3.094   2.628   5.380
  125   1HB   SER  19          1HB       SER  19   0.991   3.758   7.072
  126   2HB   SER  19          2HB       SER  19   0.510   2.264   6.266
  127    HG   SER  19           HG       SER  19   2.638   2.707   8.060
  128    H    GLY  20           H        GLY  20   1.022   1.092   4.694
  129   1HA   GLY  20          1HA       GLY  20  -0.501   2.185   2.507
  130   2HA   GLY  20          2HA       GLY  20   0.826   1.171   1.976
  131    H    LYS  21           H        LYS  21  -1.825   0.546   1.394
  132    HA   LYS  21           HA       LYS  21  -2.034  -2.032   2.694
  133   1HB   LYS  21          1HB       LYS  21  -4.399  -1.778   3.228
  134   2HB   LYS  21          2HB       LYS  21  -3.422  -0.627   4.104
  135   1HG   LYS  21          1HG       LYS  21  -4.029   1.088   2.393
  136   2HG   LYS  21          2HG       LYS  21  -5.141  -0.093   1.703
  137   1HD   LYS  21          1HD       LYS  21  -6.332  -0.211   3.850
  138   2HD   LYS  21          2HD       LYS  21  -5.233   0.996   4.517
  139   1HE   LYS  21          1HE       LYS  21  -7.225   2.132   3.876
  140   2HE   LYS  21          2HE       LYS  21  -5.981   2.554   2.701
  141   1HZ   LYS  21          1HZ       LYS  21  -7.940   0.377   2.238
  142   2HZ   LYS  21          2HZ       LYS  21  -6.931   1.126   1.105
  143   3HZ   LYS  21          3HZ       LYS  21  -8.232   1.977   1.776
  144    H    CYS  22           H        CYS  22  -4.045  -3.142   1.808
  145    HA   CYS  22           HA       CYS  22  -3.977  -2.873  -1.110
  146   1HB   CYS  22          1HB       CYS  22  -4.471  -5.222   0.699
  147   2HB   CYS  22          2HB       CYS  22  -4.975  -5.252  -0.989
  148    H    ILE  23           H        ILE  23  -5.696  -2.236  -2.157
  149    HA   ILE  23           HA       ILE  23  -8.240  -1.963  -0.730
  150    HB   ILE  23           HB       ILE  23  -8.065  -0.850  -3.453
  151   1HG1  ILE  23          1HG1      ILE  23  -6.314   0.307  -1.272
  152   2HG1  ILE  23          2HG1      ILE  23  -5.748  -0.433  -2.764
  153   1HG2  ILE  23          1HG2      ILE  23  -9.715  -0.512  -1.367
  154   2HG2  ILE  23          2HG2      ILE  23  -9.484   0.705  -2.624
  155   3HG2  ILE  23          3HG2      ILE  23  -8.613   0.839  -1.095
  156   1HD1  ILE  23          1HD1      ILE  23  -7.077   1.372  -3.968
  157   2HD1  ILE  23          2HD1      ILE  23  -5.601   1.861  -3.137
  158   3HD1  ILE  23          3HD1      ILE  23  -7.172   2.172  -2.400
  159    H    ASN  24           H        ASN  24  -9.666  -1.843  -3.397
  160    HA   ASN  24           HA       ASN  24 -10.780  -4.265  -3.596
  161   1HB   ASN  24          1HB       ASN  24 -10.604  -1.970  -5.279
  162   2HB   ASN  24          2HB       ASN  24 -10.432  -3.404  -6.284
  163   1HD2  ASN  24          1HD2      ASN  24 -12.577  -1.380  -4.658
  164   2HD2  ASN  24          2HD2      ASN  24 -14.009  -2.329  -4.846
  165    H    SER  25           H        SER  25  -7.828  -3.231  -5.206
  166    HA   SER  25           HA       SER  25  -6.559  -5.707  -5.108
  167   1HB   SER  25          1HB       SER  25  -8.257  -5.252  -7.470
  168   2HB   SER  25          2HB       SER  25  -6.599  -5.713  -7.855
  169    HG   SER  25           HG       SER  25  -7.822  -7.568  -7.617
  170    H    LYS  26           H        LYS  26  -6.035  -2.949  -4.597
  171    HA   LYS  26           HA       LYS  26  -3.591  -2.624  -6.149
  172   1HB   LYS  26          1HB       LYS  26  -5.691  -0.474  -5.827
  173   2HB   LYS  26          2HB       LYS  26  -4.059  -0.185  -6.411
  174   1HG   LYS  26          1HG       LYS  26  -4.445  -1.501  -8.361
  175   2HG   LYS  26          2HG       LYS  26  -6.004  -2.054  -7.743
  176   1HD   LYS  26          1HD       LYS  26  -6.574   0.481  -7.674
  177   2HD   LYS  26          2HD       LYS  26  -5.230   0.636  -8.805
  178   1HE   LYS  26          1HE       LYS  26  -7.518  -1.278  -9.231
  179   2HE   LYS  26          2HE       LYS  26  -7.541   0.384  -9.818
  180   1HZ   LYS  26          1HZ       LYS  26  -5.401  -1.553 -10.516
  181   2HZ   LYS  26          2HZ       LYS  26  -5.696  -0.042 -11.218
  182   3HZ   LYS  26          3HZ       LYS  26  -6.783  -1.314 -11.462
  183    H    CYS  27           H        CYS  27  -2.223  -0.913  -5.199
  184    HA   CYS  27           HA       CYS  27  -2.190  -1.187  -2.317
  185   1HB   CYS  27          1HB       CYS  27  -0.166  -1.718  -3.510
  186   2HB   CYS  27          2HB       CYS  27  -0.161  -0.142  -4.277
  187    H    LYS  28           H        LYS  28  -2.821   0.331  -1.023
  188    HA   LYS  28           HA       LYS  28  -3.088   3.098  -1.990
  189   1HB   LYS  28          1HB       LYS  28  -5.198   2.186  -1.224
  190   2HB   LYS  28          2HB       LYS  28  -4.471   1.647   0.278
  191   1HG   LYS  28          1HG       LYS  28  -5.679   3.565   0.835
  192   2HG   LYS  28          2HG       LYS  28  -4.001   4.101   0.746
  193   1HD   LYS  28          1HD       LYS  28  -4.440   5.513  -0.931
  194   2HD   LYS  28          2HD       LYS  28  -5.367   4.297  -1.814
  195   1HE   LYS  28          1HE       LYS  28  -7.047   5.768  -1.379
  196   2HE   LYS  28          2HE       LYS  28  -7.135   4.811   0.100
  197   1HZ   LYS  28          1HZ       LYS  28  -6.044   7.518  -0.293
  198   2HZ   LYS  28          2HZ       LYS  28  -5.475   6.563   0.984
  199   3HZ   LYS  28          3HZ       LYS  28  -7.117   6.959   0.890
  200    H    CYS  29           H        CYS  29  -2.252   4.784  -0.654
  201    HA   CYS  29           HA       CYS  29  -0.221   3.802   1.234
  202   1HB   CYS  29          1HB       CYS  29  -0.233   6.259  -0.507
  203   2HB   CYS  29          2HB       CYS  29   0.910   6.024   0.811
  204    H    TYR  30           H        TYR  30   0.168   4.863   3.143
  205    HA   TYR  30           HA       TYR  30  -2.182   6.172   4.282
  206   1HB   TYR  30          1HB       TYR  30   0.298   4.975   5.531
  207   2HB   TYR  30          2HB       TYR  30  -0.936   5.817   6.454
  208    HD1  TYR  30           1HD      TYR  30  -1.067   3.708   7.781
  209    HD2  TYR  30           2HD      TYR  30  -2.153   3.844   3.675
  210    HE1  TYR  30           1HE      TYR  30  -2.320   1.611   8.050
  211    HE2  TYR  30           2HE      TYR  30  -3.402   1.750   3.929
  212    HH   TYR  30           HH       TYR  30  -4.490   0.558   6.559
  213    H    LYS  31           H        LYS  31  -1.331   7.999   2.739
  214    HA   LYS  31           HA       LYS  31   0.872   9.569   3.337
  215   1HB   LYS  31          1HB       LYS  31  -1.503   9.807   1.751
  216   2HB   LYS  31          2HB       LYS  31  -1.244  11.318   2.610
  217   1HG   LYS  31          1HG       LYS  31   1.184  10.245   1.411
  218   2HG   LYS  31          2HG       LYS  31  -0.088  10.600   0.238
  219   1HD   LYS  31          1HD       LYS  31   0.331  12.666   2.292
  220   2HD   LYS  31          2HD       LYS  31   1.686  12.426   1.187
  221   1HE   LYS  31          1HE       LYS  31   0.416  12.991  -0.687
  222   2HE   LYS  31          2HE       LYS  31  -1.111  12.721   0.151
  223   1HZ   LYS  31          1HZ       LYS  31  -0.845  15.038  -0.037
  224   2HZ   LYS  31          2HZ       LYS  31   0.765  14.992   0.483
  225   3HZ   LYS  31          3HZ       LYS  31  -0.486  14.677   1.579
  Start of MODEL   10
    1   1H    ALA   1          1H        ALA   1  -1.019 -12.273  -8.906
    2   2H    ALA   1          2H        ALA   1   0.334 -12.187  -9.959
    3   3H    ALA   1          3H        ALA   1  -0.975 -11.092 -10.147
    4    HA   ALA   1           HA       ALA   1   0.989 -11.245  -7.967
    5   1HB   ALA   1          1HB       ALA   1   0.322  -9.196 -10.068
    6   2HB   ALA   1          2HB       ALA   1   1.857 -10.023  -9.791
    7   3HB   ALA   1          3HB       ALA   1   1.281  -8.819  -8.636
    8    H    ALA   2           H        ALA   2  -0.625 -11.686  -6.375
    9    HA   ALA   2           HA       ALA   2  -2.921 -10.078  -6.000
   10   1HB   ALA   2          1HB       ALA   2  -3.401 -11.510  -4.352
   11   2HB   ALA   2          2HB       ALA   2  -1.843 -11.270  -3.563
   12   3HB   ALA   2          3HB       ALA   2  -1.987 -12.409  -4.901
   13    H    CYS   3           H        CYS   3  -3.337  -8.431  -4.494
   14    HA   CYS   3           HA       CYS   3  -1.052  -6.719  -3.982
   15   1HB   CYS   3          1HB       CYS   3  -3.402  -6.002  -4.870
   16   2HB   CYS   3          2HB       CYS   3  -3.863  -6.051  -3.174
   17    H    TYR   4           H        TYR   4   0.095  -7.118  -2.204
   18    HA   TYR   4           HA       TYR   4  -1.289  -7.969   0.244
   19   1HB   TYR   4          1HB       TYR   4   1.415  -8.381  -0.848
   20   2HB   TYR   4          2HB       TYR   4   1.378  -8.001   0.866
   21    HD1  TYR   4           1HD      TYR   4  -0.166 -10.304  -1.633
   22    HD2  TYR   4           2HD      TYR   4   1.002  -9.682   2.411
   23    HE1  TYR   4           1HE      TYR   4  -0.729 -12.640  -1.116
   24    HE2  TYR   4           2HE      TYR   4   0.444 -12.014   2.940
   25    HH   TYR   4           HH       TYR   4   0.315 -14.285   1.344
   26    H    SER   5           H        SER   5  -1.858  -6.380   1.586
   27    HA   SER   5           HA       SER   5  -1.005  -3.732   1.346
   28   1HB   SER   5          1HB       SER   5  -2.039  -3.404   3.608
   29   2HB   SER   5          2HB       SER   5  -3.088  -4.238   2.462
   30    HG   SER   5           HG       SER   5  -3.116  -5.315   4.440
   31    H    SER   6           H        SER   6   0.542  -6.385   2.946
   32    HA   SER   6           HA       SER   6   2.169  -4.725   4.665
   33   1HB   SER   6          1HB       SER   6   1.913  -7.640   4.115
   34   2HB   SER   6          2HB       SER   6   3.490  -7.076   4.664
   35    HG   SER   6           HG       SER   6   2.425  -7.457   6.512
   36    H    ASP   7           H        ASP   7   2.504  -6.439   1.604
   37    HA   ASP   7           HA       ASP   7   5.257  -5.709   1.205
   38   1HB   ASP   7          1HB       ASP   7   3.597  -7.613   0.125
   39   2HB   ASP   7          2HB       ASP   7   3.655  -6.426  -1.169
   40    H    CYS   8           H        CYS   8   2.127  -4.669  -0.037
   41    HA   CYS   8           HA       CYS   8   3.080  -2.690  -1.782
   42   1HB   CYS   8          1HB       CYS   8   0.726  -3.873  -1.347
   43   2HB   CYS   8          2HB       CYS   8   0.455  -2.403  -0.439
   44    H    ARG   9           H        ARG   9   2.343  -2.759   1.649
   45    HA   ARG   9           HA       ARG   9   2.332   0.005   2.147
   46   1HB   ARG   9          1HB       ARG   9   1.540  -1.283   3.922
   47   2HB   ARG   9          2HB       ARG   9   2.872  -2.424   3.819
   48   1HG   ARG   9          1HG       ARG   9   4.390  -0.707   4.678
   49   2HG   ARG   9          2HG       ARG   9   3.028   0.399   4.835
   50   1HD   ARG   9          1HD       ARG   9   3.408  -2.224   6.283
   51   2HD   ARG   9          2HD       ARG   9   3.502  -0.609   6.984
   52    HE   ARG   9           HE       ARG   9   0.970  -1.022   5.779
   53   1HH1  ARG   9          1HH1      ARG   9   2.838  -1.918   8.600
   54   2HH1  ARG   9          2HH1      ARG   9   1.443  -2.165   9.597
   55   1HH2  ARG   9          1HH2      ARG   9  -0.867  -1.351   7.098
   56   2HH2  ARG   9          2HH2      ARG   9  -0.657  -1.842   8.746
   57    H    VAL  10           H        VAL  10   4.946  -2.427   2.136
   58    HA   VAL  10           HA       VAL  10   7.030  -0.742   2.966
   59    HB   VAL  10           HB       VAL  10   7.186  -3.043   1.001
   60   1HG1  VAL  10          1HG1      VAL  10   9.198  -1.813   0.809
   61   2HG1  VAL  10          2HG1      VAL  10   9.562  -3.182   1.858
   62   3HG1  VAL  10          3HG1      VAL  10   9.311  -1.582   2.554
   63   1HG2  VAL  10          1HG2      VAL  10   8.166  -4.000   3.347
   64   2HG2  VAL  10          2HG2      VAL  10   6.510  -4.225   2.787
   65   3HG2  VAL  10          3HG2      VAL  10   6.885  -2.928   3.921
   66    H    LYS  11           H        LYS  11   5.516  -1.225  -0.179
   67    HA   LYS  11           HA       LYS  11   7.366   0.271  -1.699
   68   1HB   LYS  11          1HB       LYS  11   4.428  -0.110  -2.272
   69   2HB   LYS  11          2HB       LYS  11   5.682   0.302  -3.433
   70   1HG   LYS  11          1HG       LYS  11   6.700  -1.993  -2.590
   71   2HG   LYS  11          2HG       LYS  11   5.008  -2.309  -2.203
   72   1HD   LYS  11          1HD       LYS  11   4.600  -1.429  -4.636
   73   2HD   LYS  11          2HD       LYS  11   6.297  -1.857  -4.858
   74   1HE   LYS  11          1HE       LYS  11   5.418  -4.087  -3.644
   75   2HE   LYS  11          2HE       LYS  11   3.934  -3.584  -4.453
   76   1HZ   LYS  11          1HZ       LYS  11   6.545  -3.889  -5.834
   77   2HZ   LYS  11          2HZ       LYS  11   5.032  -3.634  -6.549
   78   3HZ   LYS  11          3HZ       LYS  11   5.364  -5.099  -5.774
   79    H    CYS  12           H        CYS  12   4.575   1.141   0.236
   80    HA   CYS  12           HA       CYS  12   4.475   3.858  -0.707
   81   1HB   CYS  12          1HB       CYS  12   3.192   2.440   1.622
   82   2HB   CYS  12          2HB       CYS  12   3.052   4.179   1.412
   83    H    VAL  13           H        VAL  13   5.778   2.198   2.159
   84    HA   VAL  13           HA       VAL  13   6.704   4.469   3.517
   85    HB   VAL  13           HB       VAL  13   7.786   1.652   3.514
   86   1HG1  VAL  13          1HG1      VAL  13   8.827   2.252   5.677
   87   2HG1  VAL  13          2HG1      VAL  13   8.355   3.929   5.410
   88   3HG1  VAL  13          3HG1      VAL  13   9.505   3.153   4.320
   89   1HG2  VAL  13          1HG2      VAL  13   5.749   1.332   4.445
   90   2HG2  VAL  13          2HG2      VAL  13   5.577   3.023   4.919
   91   3HG2  VAL  13          3HG2      VAL  13   6.568   1.930   5.887
   92    H    ALA  14           H        ALA  14   8.079   2.600   0.883
   93    HA   ALA  14           HA       ALA  14  10.617   3.995   0.972
   94   1HB   ALA  14          1HB       ALA  14  11.390   2.446  -0.501
   95   2HB   ALA  14          2HB       ALA  14   9.851   2.328  -1.353
   96   3HB   ALA  14          3HB       ALA  14  10.059   1.527   0.205
   97    H    MET  15           H        MET  15   7.552   4.374  -0.613
   98    HA   MET  15           HA       MET  15   8.675   6.110  -2.675
   99   1HB   MET  15          1HB       MET  15   5.915   5.012  -2.170
  100   2HB   MET  15          2HB       MET  15   6.198   6.292  -3.341
  101   1HG   MET  15          1HG       MET  15   7.528   4.901  -4.694
  102   2HG   MET  15          2HG       MET  15   7.668   3.681  -3.430
  103   1HE   MET  15          1HE       MET  15   5.331   2.855  -6.817
  104   2HE   MET  15          2HE       MET  15   6.983   3.359  -6.459
  105   3HE   MET  15          3HE       MET  15   5.725   4.569  -6.700
  106    H    GLY  16           H        GLY  16   8.373   6.670   0.381
  107   1HA   GLY  16          1HA       GLY  16   8.365   8.745   1.444
  108   2HA   GLY  16          2HA       GLY  16   7.659   9.462   0.005
  109    H    PHE  17           H        PHE  17   6.640   6.889   2.265
  110    HA   PHE  17           HA       PHE  17   4.309   8.484   3.012
  111   1HB   PHE  17          1HB       PHE  17   4.099   5.708   1.820
  112   2HB   PHE  17          2HB       PHE  17   2.778   6.557   2.614
  113    HD1  PHE  17           1HD      PHE  17   4.839   6.337  -0.384
  114    HD2  PHE  17           2HD      PHE  17   1.716   8.441   1.576
  115    HE1  PHE  17           1HE      PHE  17   4.236   7.404  -2.518
  116    HE2  PHE  17           2HE      PHE  17   1.104   9.522  -0.552
  117    HZ   PHE  17           HZ       PHE  17   2.362   9.001  -2.604
  118    H    SER  18           H        SER  18   3.067   7.402   4.834
  119    HA   SER  18           HA       SER  18   5.016   6.330   6.714
  120   1HB   SER  18          1HB       SER  18   2.139   6.973   7.348
  121   2HB   SER  18          2HB       SER  18   3.512   6.900   8.453
  122    HG   SER  18           HG       SER  18   2.584   9.029   7.312
  123    H    SER  19           H        SER  19   2.985   4.967   4.531
  124    HA   SER  19           HA       SER  19   3.331   2.355   5.105
  125   1HB   SER  19          1HB       SER  19   1.416   3.498   6.992
  126   2HB   SER  19          2HB       SER  19   0.766   2.117   6.108
  127    HG   SER  19           HG       SER  19   1.822   1.047   7.593
  128    H    GLY  20           H        GLY  20   1.126   1.003   4.433
  129   1HA   GLY  20          1HA       GLY  20  -0.447   2.326   2.419
  130   2HA   GLY  20          2HA       GLY  20   0.805   1.303   1.734
  131    H    LYS  21           H        LYS  21  -1.887   0.815   1.242
  132    HA   LYS  21           HA       LYS  21  -2.179  -1.772   2.556
  133   1HB   LYS  21          1HB       LYS  21  -4.640  -1.405   2.703
  134   2HB   LYS  21          2HB       LYS  21  -3.693  -0.402   3.778
  135   1HG   LYS  21          1HG       LYS  21  -3.907   1.449   2.110
  136   2HG   LYS  21          2HG       LYS  21  -5.028   0.422   1.215
  137   1HD   LYS  21          1HD       LYS  21  -5.937   0.354   3.852
  138   2HD   LYS  21          2HD       LYS  21  -5.486   2.038   3.571
  139   1HE   LYS  21          1HE       LYS  21  -6.978   2.244   1.764
  140   2HE   LYS  21          2HE       LYS  21  -7.187   0.499   1.629
  141   1HZ   LYS  21          1HZ       LYS  21  -8.055   2.035   4.013
  142   2HZ   LYS  21          2HZ       LYS  21  -8.472   0.452   3.588
  143   3HZ   LYS  21          3HZ       LYS  21  -9.069   1.752   2.688
  144    H    CYS  22           H        CYS  22  -4.113  -2.894   1.509
  145    HA   CYS  22           HA       CYS  22  -4.179  -2.519  -1.390
  146   1HB   CYS  22          1HB       CYS  22  -3.272  -4.914   0.146
  147   2HB   CYS  22          2HB       CYS  22  -4.069  -5.147  -1.408
  148    H    ILE  23           H        ILE  23  -6.191  -2.708  -2.192
  149    HA   ILE  23           HA       ILE  23  -8.263  -3.844  -0.462
  150    HB   ILE  23           HB       ILE  23  -8.224  -1.350  -1.070
  151   1HG1  ILE  23          1HG1      ILE  23 -10.862  -1.781  -1.799
  152   2HG1  ILE  23          2HG1      ILE  23 -10.418  -3.241  -0.922
  153   1HG2  ILE  23          1HG2      ILE  23  -8.317  -0.676  -3.163
  154   2HG2  ILE  23          2HG2      ILE  23  -9.751  -1.655  -3.476
  155   3HG2  ILE  23          3HG2      ILE  23  -8.144  -2.354  -3.670
  156   1HD1  ILE  23          1HD1      ILE  23 -10.872  -2.109   0.929
  157   2HD1  ILE  23          2HD1      ILE  23 -10.925  -0.572   0.066
  158   3HD1  ILE  23          3HD1      ILE  23  -9.380  -1.215   0.627
  159    H    ASN  24           H        ASN  24 -10.169  -3.728  -2.817
  160    HA   ASN  24           HA       ASN  24 -10.290  -6.252  -3.637
  161   1HB   ASN  24          1HB       ASN  24 -11.318  -3.757  -4.579
  162   2HB   ASN  24          2HB       ASN  24 -10.881  -4.749  -5.963
  163   1HD2  ASN  24          1HD2      ASN  24 -12.731  -4.727  -2.968
  164   2HD2  ASN  24          2HD2      ASN  24 -13.917  -5.874  -3.478
  165    H    SER  25           H        SER  25  -8.376  -3.746  -5.204
  166    HA   SER  25           HA       SER  25  -6.298  -5.429  -5.991
  167   1HB   SER  25          1HB       SER  25  -8.395  -5.887  -7.641
  168   2HB   SER  25          2HB       SER  25  -7.630  -4.544  -8.489
  169    HG   SER  25           HG       SER  25  -6.905  -7.093  -8.473
  170    H    LYS  26           H        LYS  26  -6.654  -2.956  -4.722
  171    HA   LYS  26           HA       LYS  26  -5.022  -1.244  -6.429
  172   1HB   LYS  26          1HB       LYS  26  -7.465  -0.304  -4.911
  173   2HB   LYS  26          2HB       LYS  26  -6.306   0.751  -5.704
  174   1HG   LYS  26          1HG       LYS  26  -7.435   0.588  -7.597
  175   2HG   LYS  26          2HG       LYS  26  -7.196  -1.159  -7.607
  176   1HD   LYS  26          1HD       LYS  26  -9.189  -1.486  -6.283
  177   2HD   LYS  26          2HD       LYS  26  -9.401   0.258  -6.116
  178   1HE   LYS  26          1HE       LYS  26  -9.525  -1.310  -8.693
  179   2HE   LYS  26          2HE       LYS  26 -10.906  -0.670  -7.805
  180   1HZ   LYS  26          1HZ       LYS  26  -8.995   0.710  -9.512
  181   2HZ   LYS  26          2HZ       LYS  26  -9.489   1.549  -8.130
  182   3HZ   LYS  26          3HZ       LYS  26 -10.637   1.020  -9.255
  183    H    CYS  27           H        CYS  27  -3.709   0.219  -5.255
  184    HA   CYS  27           HA       CYS  27  -3.321  -0.515  -2.441
  185   1HB   CYS  27          1HB       CYS  27  -1.557  -1.055  -4.235
  186   2HB   CYS  27          2HB       CYS  27  -1.223   0.668  -4.226
  187    H    LYS  28           H        LYS  28  -3.223   1.009  -0.959
  188    HA   LYS  28           HA       LYS  28  -3.274   3.826  -1.822
  189   1HB   LYS  28          1HB       LYS  28  -5.493   3.254  -1.044
  190   2HB   LYS  28          2HB       LYS  28  -4.836   2.548   0.425
  191   1HG   LYS  28          1HG       LYS  28  -4.252   4.639   1.304
  192   2HG   LYS  28          2HG       LYS  28  -4.443   5.439  -0.256
  193   1HD   LYS  28          1HD       LYS  28  -6.789   4.083   1.007
  194   2HD   LYS  28          2HD       LYS  28  -6.289   5.673   1.582
  195   1HE   LYS  28          1HE       LYS  28  -6.583   6.630  -0.593
  196   2HE   LYS  28          2HE       LYS  28  -6.851   5.041  -1.311
  197   1HZ   LYS  28          1HZ       LYS  28  -8.829   6.642  -0.640
  198   2HZ   LYS  28          2HZ       LYS  28  -8.653   5.849   0.842
  199   3HZ   LYS  28          3HZ       LYS  28  -8.974   4.958  -0.560
  200    H    CYS  29           H        CYS  29  -2.089   5.258  -0.567
  201    HA   CYS  29           HA       CYS  29  -0.177   3.950   1.229
  202   1HB   CYS  29          1HB       CYS  29  -0.027   6.556  -0.277
  203   2HB   CYS  29          2HB       CYS  29   1.134   6.098   0.964
  204    H    TYR  30           H        TYR  30   0.394   4.877   3.200
  205    HA   TYR  30           HA       TYR  30  -1.818   6.235   4.531
  206   1HB   TYR  30          1HB       TYR  30   0.614   4.802   5.619
  207   2HB   TYR  30          2HB       TYR  30  -0.588   5.599   6.620
  208    HD1  TYR  30           1HD      TYR  30  -2.001   3.994   3.724
  209    HD2  TYR  30           2HD      TYR  30  -0.673   3.312   7.707
  210    HE1  TYR  30           1HE      TYR  30  -3.319   1.931   3.804
  211    HE2  TYR  30           2HE      TYR  30  -1.994   1.243   7.798
  212    HH   TYR  30           HH       TYR  30  -4.414   0.522   5.901
  213    H    LYS  31           H        LYS  31  -0.976   8.130   3.160
  214    HA   LYS  31           HA       LYS  31   1.368   9.499   3.631
  215   1HB   LYS  31          1HB       LYS  31  -1.374  10.700   3.179
  216   2HB   LYS  31          2HB       LYS  31   0.149  11.555   2.994
  217   1HG   LYS  31          1HG       LYS  31   0.632  10.559   1.014
  218   2HG   LYS  31          2HG       LYS  31  -0.203   9.062   1.433
  219   1HD   LYS  31          1HD       LYS  31  -2.283   9.905   0.831
  220   2HD   LYS  31          2HD       LYS  31  -1.761  11.582   0.999
  221   1HE   LYS  31          1HE       LYS  31  -1.912  11.271  -1.310
  222   2HE   LYS  31          2HE       LYS  31  -0.192  11.093  -0.967
  223   1HZ   LYS  31          1HZ       LYS  31  -0.969   8.571  -0.745
  224   2HZ   LYS  31          2HZ       LYS  31  -0.476   9.248  -2.213
  225   3HZ   LYS  31          3HZ       LYS  31  -2.123   9.106  -1.861
  Start of MODEL   11
    1   1H    ALA   1          1H        ALA   1  -1.500 -12.123  -9.062
    2   2H    ALA   1          2H        ALA   1  -0.094 -11.143  -9.157
    3   3H    ALA   1          3H        ALA   1  -1.045 -11.417 -10.558
    4    HA   ALA   1           HA       ALA   1  -1.262  -9.221  -9.378
    5   1HB   ALA   1          1HB       ALA   1  -2.810  -9.471 -11.027
    6   2HB   ALA   1          2HB       ALA   1  -3.891  -9.516  -9.635
    7   3HB   ALA   1          3HB       ALA   1  -3.387 -11.018 -10.407
    8    H    ALA   2           H        ALA   2  -0.623 -10.975  -7.150
    9    HA   ALA   2           HA       ALA   2  -2.880 -10.743  -5.333
   10   1HB   ALA   2          1HB       ALA   2  -0.108 -11.794  -4.780
   11   2HB   ALA   2          2HB       ALA   2  -1.471 -12.772  -5.327
   12   3HB   ALA   2          3HB       ALA   2  -1.533 -11.973  -3.758
   13    H    CYS   3           H        CYS   3  -3.246  -8.778  -4.539
   14    HA   CYS   3           HA       CYS   3  -1.058  -6.938  -4.034
   15   1HB   CYS   3          1HB       CYS   3  -3.417  -6.394  -5.029
   16   2HB   CYS   3          2HB       CYS   3  -3.919  -6.363  -3.342
   17    H    TYR   4           H        TYR   4   0.006  -6.981  -2.172
   18    HA   TYR   4           HA       TYR   4  -1.400  -7.889   0.253
   19   1HB   TYR   4          1HB       TYR   4   1.276  -8.372  -0.786
   20   2HB   TYR   4          2HB       TYR   4   1.314  -7.768   0.862
   21    HD1  TYR   4           1HD      TYR   4  -0.321 -10.379  -1.244
   22    HD2  TYR   4           2HD      TYR   4   1.001  -9.234   2.637
   23    HE1  TYR   4           1HE      TYR   4  -0.855 -12.628  -0.403
   24    HE2  TYR   4           2HE      TYR   4   0.473 -11.478   3.487
   25    HH   TYR   4           HH       TYR   4  -1.140 -13.378   2.799
   26    H    SER   5           H        SER   5  -1.363  -6.686   2.115
   27    HA   SER   5           HA       SER   5  -1.026  -3.867   1.789
   28   1HB   SER   5          1HB       SER   5  -1.350  -4.966   4.527
   29   2HB   SER   5          2HB       SER   5  -2.207  -3.646   3.733
   30    HG   SER   5           HG       SER   5  -2.896  -6.260   3.958
   31    H    SER   6           H        SER   6   0.932  -6.437   3.122
   32    HA   SER   6           HA       SER   6   2.667  -4.711   4.611
   33   1HB   SER   6          1HB       SER   6   3.769  -6.624   5.255
   34   2HB   SER   6          2HB       SER   6   2.263  -7.361   4.714
   35    HG   SER   6           HG       SER   6   4.789  -7.400   3.538
   36    H    ASP   7           H        ASP   7   2.736  -6.190   1.413
   37    HA   ASP   7           HA       ASP   7   5.311  -5.180   0.708
   38   1HB   ASP   7          1HB       ASP   7   3.573  -7.027  -0.372
   39   2HB   ASP   7          2HB       ASP   7   3.435  -5.686  -1.497
   40    H    CYS   8           H        CYS   8   1.978  -4.215   0.103
   41    HA   CYS   8           HA       CYS   8   2.348  -1.991  -1.506
   42   1HB   CYS   8          1HB       CYS   8   0.138  -2.850  -0.964
   43   2HB   CYS   8          2HB       CYS   8   0.352  -2.430   0.722
   44    H    ARG   9           H        ARG   9   2.193  -2.179   2.016
   45    HA   ARG   9           HA       ARG   9   2.660   0.492   2.601
   46   1HB   ARG   9          1HB       ARG   9   1.988  -0.784   4.421
   47   2HB   ARG   9          2HB       ARG   9   3.157  -2.059   4.090
   48   1HG   ARG   9          1HG       ARG   9   4.964  -0.651   4.823
   49   2HG   ARG   9          2HG       ARG   9   3.858   0.697   5.058
   50   1HD   ARG   9          1HD       ARG   9   3.879  -1.914   6.567
   51   2HD   ARG   9          2HD       ARG   9   4.345  -0.334   7.194
   52    HE   ARG   9           HE       ARG   9   1.799   0.071   6.422
   53   1HH1  ARG   9          1HH1      ARG   9   3.292  -2.369   8.437
   54   2HH1  ARG   9          2HH1      ARG   9   1.869  -2.631   9.386
   55   1HH2  ARG   9          1HH2      ARG   9  -0.073  -0.276   7.672
   56   2HH2  ARG   9          2HH2      ARG   9  -0.045  -1.444   8.951
   57    H    VAL  10           H        VAL  10   5.044  -2.163   2.256
   58    HA   VAL  10           HA       VAL  10   7.318  -0.661   2.859
   59    HB   VAL  10           HB       VAL  10   7.096  -2.955   0.894
   60   1HG1  VAL  10          1HG1      VAL  10   9.473  -3.270   1.185
   61   2HG1  VAL  10          2HG1      VAL  10   9.544  -1.924   2.325
   62   3HG1  VAL  10          3HG1      VAL  10   9.164  -1.624   0.629
   63   1HG2  VAL  10          1HG2      VAL  10   8.258  -3.410   3.558
   64   2HG2  VAL  10          2HG2      VAL  10   7.161  -4.413   2.609
   65   3HG2  VAL  10          3HG2      VAL  10   6.530  -3.059   3.543
   66    H    LYS  11           H        LYS  11   5.591  -1.058  -0.202
   67    HA   LYS  11           HA       LYS  11   7.429   0.417  -1.777
   68   1HB   LYS  11          1HB       LYS  11   4.475  -0.046  -2.205
   69   2HB   LYS  11          2HB       LYS  11   5.593   0.562  -3.417
   70   1HG   LYS  11          1HG       LYS  11   6.656  -1.499  -3.646
   71   2HG   LYS  11          2HG       LYS  11   6.028  -2.098  -2.109
   72   1HD   LYS  11          1HD       LYS  11   3.765  -2.117  -3.057
   73   2HD   LYS  11          2HD       LYS  11   4.410  -1.545  -4.595
   74   1HE   LYS  11          1HE       LYS  11   5.303  -3.560  -5.129
   75   2HE   LYS  11          2HE       LYS  11   5.658  -3.966  -3.451
   76   1HZ   LYS  11          1HZ       LYS  11   3.928  -5.384  -4.365
   77   2HZ   LYS  11          2HZ       LYS  11   2.968  -4.035  -4.707
   78   3HZ   LYS  11          3HZ       LYS  11   3.319  -4.437  -3.101
   79    H    CYS  12           H        CYS  12   4.784   1.290   0.317
   80    HA   CYS  12           HA       CYS  12   4.637   4.012  -0.642
   81   1HB   CYS  12          1HB       CYS  12   3.384   2.623   1.731
   82   2HB   CYS  12          2HB       CYS  12   3.137   4.326   1.363
   83    H    VAL  13           H        VAL  13   6.014   2.321   2.160
   84    HA   VAL  13           HA       VAL  13   6.912   4.660   3.500
   85    HB   VAL  13           HB       VAL  13   7.912   1.814   3.673
   86   1HG1  VAL  13          1HG1      VAL  13   8.703   2.615   5.968
   87   2HG1  VAL  13          2HG1      VAL  13   8.512   4.247   5.330
   88   3HG1  VAL  13          3HG1      VAL  13   9.642   3.128   4.568
   89   1HG2  VAL  13          1HG2      VAL  13   5.843   1.536   4.522
   90   2HG2  VAL  13          2HG2      VAL  13   5.636   3.254   4.868
   91   3HG2  VAL  13          3HG2      VAL  13   6.568   2.239   5.969
   92    H    ALA  14           H        ALA  14   8.195   2.649   0.956
   93    HA   ALA  14           HA       ALA  14  10.853   3.732   1.046
   94   1HB   ALA  14          1HB       ALA  14  10.185   1.437   0.199
   95   2HB   ALA  14          2HB       ALA  14  11.317   2.353  -0.795
   96   3HB   ALA  14          3HB       ALA  14   9.618   2.260  -1.254
   97    H    MET  15           H        MET  15   7.851   4.489  -0.657
   98    HA   MET  15           HA       MET  15   9.291   6.353  -2.391
   99   1HB   MET  15          1HB       MET  15   7.312   6.541  -3.691
  100   2HB   MET  15          2HB       MET  15   7.516   4.836  -3.316
  101   1HG   MET  15          1HG       MET  15   5.811   4.964  -1.623
  102   2HG   MET  15          2HG       MET  15   5.670   6.703  -1.854
  103   1HE   MET  15          1HE       MET  15   5.366   3.237  -3.810
  104   2HE   MET  15          2HE       MET  15   3.656   3.401  -4.207
  105   3HE   MET  15          3HE       MET  15   4.178   3.431  -2.522
  106    H    GLY  16           H        GLY  16   8.196   6.500   0.675
  107   1HA   GLY  16          1HA       GLY  16   8.344   8.549   1.888
  108   2HA   GLY  16          2HA       GLY  16   7.815   9.408   0.455
  109    H    PHE  17           H        PHE  17   6.554   6.862   2.637
  110    HA   PHE  17           HA       PHE  17   4.176   8.488   3.090
  111   1HB   PHE  17          1HB       PHE  17   4.102   5.724   1.882
  112   2HB   PHE  17          2HB       PHE  17   2.715   6.428   2.710
  113    HD1  PHE  17           1HD      PHE  17   1.540   8.321   1.761
  114    HD2  PHE  17           2HD      PHE  17   4.794   6.489  -0.274
  115    HE1  PHE  17           1HE      PHE  17   0.863   9.450  -0.318
  116    HE2  PHE  17           2HE      PHE  17   4.123   7.621  -2.361
  117    HZ   PHE  17           HZ       PHE  17   2.157   9.101  -2.384
  118    H    SER  18           H        SER  18   2.742   7.433   4.806
  119    HA   SER  18           HA       SER  18   4.510   6.486   6.916
  120   1HB   SER  18          1HB       SER  18   1.931   7.909   6.822
  121   2HB   SER  18          2HB       SER  18   2.099   6.757   8.145
  122    HG   SER  18           HG       SER  18   3.987   7.838   8.774
  123    H    SER  19           H        SER  19   2.686   4.993   4.632
  124    HA   SER  19           HA       SER  19   2.959   2.425   5.452
  125   1HB   SER  19          1HB       SER  19   0.895   3.729   7.028
  126   2HB   SER  19          2HB       SER  19   0.263   2.335   6.153
  127    HG   SER  19           HG       SER  19   1.343   2.082   8.350
  128    H    GLY  20           H        GLY  20   0.859   1.008   4.658
  129   1HA   GLY  20          1HA       GLY  20  -0.565   2.084   2.430
  130   2HA   GLY  20          2HA       GLY  20   0.829   1.159   1.898
  131    H    LYS  21           H        LYS  21  -1.886   0.505   1.311
  132    HA   LYS  21           HA       LYS  21  -1.901  -2.186   2.362
  133   1HB   LYS  21          1HB       LYS  21  -4.219  -2.162   3.043
  134   2HB   LYS  21          2HB       LYS  21  -3.316  -0.978   3.947
  135   1HG   LYS  21          1HG       LYS  21  -4.184   0.775   2.396
  136   2HG   LYS  21          2HG       LYS  21  -5.206  -0.467   1.674
  137   1HD   LYS  21          1HD       LYS  21  -5.658  -0.708   4.405
  138   2HD   LYS  21          2HD       LYS  21  -5.564   1.031   4.132
  139   1HE   LYS  21          1HE       LYS  21  -7.859   0.126   3.935
  140   2HE   LYS  21          2HE       LYS  21  -7.293   0.917   2.465
  141   1HZ   LYS  21          1HZ       LYS  21  -7.310  -1.012   1.321
  142   2HZ   LYS  21          2HZ       LYS  21  -8.441  -1.476   2.488
  143   3HZ   LYS  21          3HZ       LYS  21  -6.825  -1.950   2.641
  144    H    CYS  22           H        CYS  22  -3.960  -3.279   1.422
  145    HA   CYS  22           HA       CYS  22  -4.204  -2.498  -1.405
  146   1HB   CYS  22          1HB       CYS  22  -3.541  -5.169  -0.220
  147   2HB   CYS  22          2HB       CYS  22  -4.350  -5.070  -1.783
  148    H    ILE  23           H        ILE  23  -6.208  -2.330  -2.133
  149    HA   ILE  23           HA       ILE  23  -8.394  -3.230  -0.424
  150    HB   ILE  23           HB       ILE  23  -8.167  -0.837  -1.261
  151   1HG1  ILE  23          1HG1      ILE  23 -10.772  -1.137  -2.162
  152   2HG1  ILE  23          2HG1      ILE  23 -10.517  -2.543  -1.135
  153   1HG2  ILE  23          1HG2      ILE  23  -8.115  -0.324  -3.412
  154   2HG2  ILE  23          2HG2      ILE  23  -9.534  -1.309  -3.759
  155   3HG2  ILE  23          3HG2      ILE  23  -7.932  -2.043  -3.744
  156   1HD1  ILE  23          1HD1      ILE  23 -11.028  -1.220   0.568
  157   2HD1  ILE  23          2HD1      ILE  23 -10.890   0.234  -0.421
  158   3HD1  ILE  23          3HD1      ILE  23  -9.453  -0.463   0.330
  159    H    ASN  24           H        ASN  24 -10.112  -3.111  -3.067
  160    HA   ASN  24           HA       ASN  24 -10.557  -5.697  -3.515
  161   1HB   ASN  24          1HB       ASN  24 -11.085  -3.278  -4.938
  162   2HB   ASN  24          2HB       ASN  24 -10.628  -4.520  -6.098
  163   1HD2  ASN  24          1HD2      ASN  24 -12.899  -3.633  -3.596
  164   2HD2  ASN  24          2HD2      ASN  24 -14.136  -4.747  -4.054
  165    H    SER  25           H        SER  25  -8.106  -3.769  -5.157
  166    HA   SER  25           HA       SER  25  -6.217  -5.801  -5.325
  167   1HB   SER  25          1HB       SER  25  -8.165  -6.276  -7.188
  168   2HB   SER  25          2HB       SER  25  -7.011  -5.329  -8.125
  169    HG   SER  25           HG       SER  25  -5.936  -7.122  -8.278
  170    H    LYS  26           H        LYS  26  -6.385  -3.056  -4.630
  171    HA   LYS  26           HA       LYS  26  -4.297  -2.004  -6.390
  172   1HB   LYS  26          1HB       LYS  26  -6.894  -0.641  -5.742
  173   2HB   LYS  26          2HB       LYS  26  -5.457   0.289  -6.144
  174   1HG   LYS  26          1HG       LYS  26  -5.326  -1.076  -8.268
  175   2HG   LYS  26          2HG       LYS  26  -6.945  -1.661  -7.876
  176   1HD   LYS  26          1HD       LYS  26  -7.921   0.383  -8.239
  177   2HD   LYS  26          2HD       LYS  26  -6.453   1.277  -7.848
  178   1HE   LYS  26          1HE       LYS  26  -6.581  -0.450 -10.293
  179   2HE   LYS  26          2HE       LYS  26  -7.266   1.174 -10.310
  180   1HZ   LYS  26          1HZ       LYS  26  -5.221   2.139 -10.121
  181   2HZ   LYS  26          2HZ       LYS  26  -4.792   0.754 -10.991
  182   3HZ   LYS  26          3HZ       LYS  26  -4.524   0.820  -9.323
  183    H    CYS  27           H        CYS  27  -2.616  -1.422  -5.223
  184    HA   CYS  27           HA       CYS  27  -2.670  -1.230  -2.403
  185   1HB   CYS  27          1HB       CYS  27  -0.705  -2.101  -3.286
  186   2HB   CYS  27          2HB       CYS  27  -0.615  -0.894  -4.549
  187    H    LYS  28           H        LYS  28  -2.793   0.443  -1.167
  188    HA   LYS  28           HA       LYS  28  -2.758   3.149  -2.326
  189   1HB   LYS  28          1HB       LYS  28  -4.260   3.490  -0.102
  190   2HB   LYS  28          2HB       LYS  28  -4.931   3.180  -1.694
  191   1HG   LYS  28          1HG       LYS  28  -5.056   0.785  -1.153
  192   2HG   LYS  28          2HG       LYS  28  -4.419   1.135   0.455
  193   1HD   LYS  28          1HD       LYS  28  -6.784   0.956   0.654
  194   2HD   LYS  28          2HD       LYS  28  -6.377   2.666   0.796
  195   1HE   LYS  28          1HE       LYS  28  -6.782   2.325  -1.913
  196   2HE   LYS  28          2HE       LYS  28  -8.002   1.281  -1.188
  197   1HZ   LYS  28          1HZ       LYS  28  -7.618   4.181  -0.667
  198   2HZ   LYS  28          2HZ       LYS  28  -8.720   3.199   0.161
  199   3HZ   LYS  28          3HZ       LYS  28  -8.908   3.463  -1.498
  200    H    CYS  29           H        CYS  29  -2.036   4.845  -0.852
  201    HA   CYS  29           HA       CYS  29  -0.096   3.782   1.084
  202   1HB   CYS  29          1HB       CYS  29  -0.060   6.309  -0.558
  203   2HB   CYS  29          2HB       CYS  29   1.061   6.002   0.763
  204    H    TYR  30           H        TYR  30   0.209   4.788   3.059
  205    HA   TYR  30           HA       TYR  30  -2.175   6.109   4.111
  206   1HB   TYR  30          1HB       TYR  30   0.198   4.796   5.440
  207   2HB   TYR  30          2HB       TYR  30  -1.030   5.678   6.336
  208    HD1  TYR  30           1HD      TYR  30  -1.237   3.506   7.589
  209    HD2  TYR  30           2HD      TYR  30  -2.312   3.864   3.489
  210    HE1  TYR  30           1HE      TYR  30  -2.584   1.459   7.769
  211    HE2  TYR  30           2HE      TYR  30  -3.656   1.825   3.656
  212    HH   TYR  30           HH       TYR  30  -3.370  -0.388   5.931
  213    H    LYS  31           H        LYS  31  -1.198   7.951   2.659
  214    HA   LYS  31           HA       LYS  31   1.001   9.447   3.561
  215   1HB   LYS  31          1HB       LYS  31  -0.167  11.370   2.340
  216   2HB   LYS  31          2HB       LYS  31   0.253   9.954   1.392
  217   1HG   LYS  31          1HG       LYS  31  -1.986   9.219   1.310
  218   2HG   LYS  31          2HG       LYS  31  -2.480  10.353   2.567
  219   1HD   LYS  31          1HD       LYS  31  -3.167  11.602   0.822
  220   2HD   LYS  31          2HD       LYS  31  -1.465  12.061   0.732
  221   1HE   LYS  31          1HE       LYS  31  -1.110  10.883  -1.164
  222   2HE   LYS  31          2HE       LYS  31  -2.187   9.576  -0.675
  223   1HZ   LYS  31          1HZ       LYS  31  -3.564  10.408  -2.199
  224   2HZ   LYS  31          2HZ       LYS  31  -2.727  11.872  -2.312
  225   3HZ   LYS  31          3HZ       LYS  31  -3.883  11.652  -1.098
  Start of MODEL   12
    1   1H    ALA   1          1H        ALA   1  -3.172 -12.233  -9.425
    2   2H    ALA   1          2H        ALA   1  -2.449 -11.691 -10.884
    3   3H    ALA   1          3H        ALA   1  -3.865 -10.924 -10.289
    4    HA   ALA   1           HA       ALA   1  -1.139 -10.866  -9.203
    5   1HB   ALA   1          1HB       ALA   1  -1.067  -8.702  -9.855
    6   2HB   ALA   1          2HB       ALA   1  -2.786  -8.437  -9.560
    7   3HB   ALA   1          3HB       ALA   1  -2.260  -9.255 -11.030
    8    H    ALA   2           H        ALA   2  -1.154 -11.343  -7.094
    9    HA   ALA   2           HA       ALA   2  -3.446 -10.646  -5.438
   10   1HB   ALA   2          1HB       ALA   2  -1.216 -12.540  -5.248
   11   2HB   ALA   2          2HB       ALA   2  -2.861 -12.651  -4.625
   12   3HB   ALA   2          3HB       ALA   2  -1.638 -11.756  -3.725
   13    H    CYS   3           H        CYS   3  -3.561  -8.808  -4.359
   14    HA   CYS   3           HA       CYS   3  -1.199  -7.132  -4.069
   15   1HB   CYS   3          1HB       CYS   3  -3.562  -6.367  -4.840
   16   2HB   CYS   3          2HB       CYS   3  -3.957  -6.390  -3.126
   17    H    TYR   4           H        TYR   4  -0.085  -6.867  -2.218
   18    HA   TYR   4           HA       TYR   4  -1.259  -7.957   0.262
   19   1HB   TYR   4          1HB       TYR   4   1.416  -8.227  -0.940
   20   2HB   TYR   4          2HB       TYR   4   1.423  -7.854   0.776
   21    HD1  TYR   4           1HD      TYR   4  -0.079 -10.225  -1.680
   22    HD2  TYR   4           2HD      TYR   4   1.173  -9.560   2.331
   23    HE1  TYR   4           1HE      TYR   4  -0.505 -12.590  -1.160
   24    HE2  TYR   4           2HE      TYR   4   0.752 -11.921   2.862
   25    HH   TYR   4           HH       TYR   4  -0.943 -13.795   1.700
   26    H    SER   5           H        SER   5  -1.461  -6.652   1.974
   27    HA   SER   5           HA       SER   5  -1.032  -3.869   1.723
   28   1HB   SER   5          1HB       SER   5  -1.413  -5.254   4.372
   29   2HB   SER   5          2HB       SER   5  -1.960  -3.652   3.879
   30    HG   SER   5           HG       SER   5  -3.563  -5.445   3.946
   31    H    SER   6           H        SER   6   0.919  -6.463   3.027
   32    HA   SER   6           HA       SER   6   2.707  -4.797   4.503
   33   1HB   SER   6          1HB       SER   6   2.611  -7.122   5.108
   34   2HB   SER   6          2HB       SER   6   2.963  -7.627   3.456
   35    HG   SER   6           HG       SER   6   4.741  -6.184   5.142
   36    H    ASP   7           H        ASP   7   2.712  -6.179   1.243
   37    HA   ASP   7           HA       ASP   7   5.277  -5.187   0.511
   38   1HB   ASP   7          1HB       ASP   7   3.481  -6.917  -0.630
   39   2HB   ASP   7          2HB       ASP   7   3.292  -5.499  -1.649
   40    H    CYS   8           H        CYS   8   1.959  -4.084  -0.007
   41    HA   CYS   8           HA       CYS   8   2.393  -1.780  -1.471
   42   1HB   CYS   8          1HB       CYS   8   0.158  -2.629  -0.907
   43   2HB   CYS   8          2HB       CYS   8   0.410  -2.194   0.773
   44    H    ARG   9           H        ARG   9   2.274  -2.148   2.044
   45    HA   ARG   9           HA       ARG   9   2.848   0.460   2.759
   46   1HB   ARG   9          1HB       ARG   9   2.101  -1.148   4.398
   47   2HB   ARG   9          2HB       ARG   9   3.559  -2.111   4.174
   48   1HG   ARG   9          1HG       ARG   9   4.743   0.124   4.818
   49   2HG   ARG   9          2HG       ARG   9   3.188   0.477   5.569
   50   1HD   ARG   9          1HD       ARG   9   3.536  -1.988   6.516
   51   2HD   ARG   9          2HD       ARG   9   5.230  -1.559   6.282
   52    HE   ARG   9           HE       ARG   9   3.933   0.527   7.647
   53   1HH1  ARG   9          1HH1      ARG   9   4.970  -2.774   8.180
   54   2HH1  ARG   9          2HH1      ARG   9   5.186  -2.562   9.884
   55   1HH2  ARG   9          1HH2      ARG   9   4.221   0.805   9.891
   56   2HH2  ARG   9          2HH2      ARG   9   4.761  -0.527  10.859
   57    H    VAL  10           H        VAL  10   5.127  -2.248   2.200
   58    HA   VAL  10           HA       VAL  10   7.478  -0.873   2.831
   59    HB   VAL  10           HB       VAL  10   7.112  -3.013   0.721
   60   1HG1  VAL  10          1HG1      VAL  10   9.627  -2.128   2.132
   61   2HG1  VAL  10          2HG1      VAL  10   9.218  -1.786   0.452
   62   3HG1  VAL  10          3HG1      VAL  10   9.495  -3.448   0.972
   63   1HG2  VAL  10          1HG2      VAL  10   6.811  -4.451   2.381
   64   2HG2  VAL  10          2HG2      VAL  10   6.917  -3.140   3.556
   65   3HG2  VAL  10          3HG2      VAL  10   8.375  -3.999   3.059
   66    H    LYS  11           H        LYS  11   5.671  -1.055  -0.208
   67    HA   LYS  11           HA       LYS  11   7.495   0.494  -1.732
   68   1HB   LYS  11          1HB       LYS  11   4.533   0.047  -2.131
   69   2HB   LYS  11          2HB       LYS  11   5.619   0.738  -3.329
   70   1HG   LYS  11          1HG       LYS  11   6.855  -1.359  -3.438
   71   2HG   LYS  11          2HG       LYS  11   5.799  -2.054  -2.208
   72   1HD   LYS  11          1HD       LYS  11   4.625  -2.815  -3.971
   73   2HD   LYS  11          2HD       LYS  11   3.979  -1.172  -4.023
   74   1HE   LYS  11          1HE       LYS  11   6.510  -1.344  -5.406
   75   2HE   LYS  11          2HE       LYS  11   5.359  -2.513  -6.047
   76   1HZ   LYS  11          1HZ       LYS  11   3.780  -0.445  -5.997
   77   2HZ   LYS  11          2HZ       LYS  11   4.851  -0.681  -7.285
   78   3HZ   LYS  11          3HZ       LYS  11   5.236   0.416  -6.058
   79    H    CYS  12           H        CYS  12   4.879   1.280   0.437
   80    HA   CYS  12           HA       CYS  12   4.762   4.047  -0.369
   81   1HB   CYS  12          1HB       CYS  12   3.569   2.641   2.027
   82   2HB   CYS  12          2HB       CYS  12   3.242   4.308   1.569
   83    H    VAL  13           H        VAL  13   6.279   2.165   2.229
   84    HA   VAL  13           HA       VAL  13   7.155   4.342   3.792
   85    HB   VAL  13           HB       VAL  13   8.360   1.593   3.459
   86   1HG1  VAL  13          1HG1      VAL  13   9.172   3.907   5.092
   87   2HG1  VAL  13          2HG1      VAL  13  10.119   2.538   4.511
   88   3HG1  VAL  13          3HG1      VAL  13   9.102   2.362   5.940
   89   1HG2  VAL  13          1HG2      VAL  13   6.920   2.330   5.922
   90   2HG2  VAL  13          2HG2      VAL  13   6.925   0.817   5.015
   91   3HG2  VAL  13          3HG2      VAL  13   5.930   2.167   4.471
   92    H    ALA  14           H        ALA  14   8.499   2.754   0.955
   93    HA   ALA  14           HA       ALA  14  10.956   4.291   1.047
   94   1HB   ALA  14          1HB       ALA  14  11.772   2.860  -0.496
   95   2HB   ALA  14          2HB       ALA  14  10.243   2.753  -1.368
   96   3HB   ALA  14          3HB       ALA  14  10.474   1.842   0.124
   97    H    MET  15           H        MET  15   7.816   4.554  -0.441
   98    HA   MET  15           HA       MET  15   8.779   6.500  -2.399
   99   1HB   MET  15          1HB       MET  15   6.088   5.222  -1.935
  100   2HB   MET  15          2HB       MET  15   6.315   6.552  -3.061
  101   1HG   MET  15          1HG       MET  15   7.893   4.006  -3.237
  102   2HG   MET  15          2HG       MET  15   6.329   4.212  -4.021
  103   1HE   MET  15          1HE       MET  15   9.600   3.741  -4.997
  104   2HE   MET  15          2HE       MET  15   9.515   4.479  -6.597
  105   3HE   MET  15          3HE       MET  15   8.247   3.375  -6.068
  106    H    GLY  16           H        GLY  16   8.454   6.823   0.700
  107   1HA   GLY  16          1HA       GLY  16   8.228   8.722   1.991
  108   2HA   GLY  16          2HA       GLY  16   7.745   9.602   0.553
  109    H    PHE  17           H        PHE  17   6.475   7.067   2.719
  110    HA   PHE  17           HA       PHE  17   3.997   8.588   3.012
  111   1HB   PHE  17          1HB       PHE  17   4.105   5.732   2.022
  112   2HB   PHE  17          2HB       PHE  17   2.643   6.496   2.637
  113    HD1  PHE  17           1HD      PHE  17   4.969   6.254  -0.141
  114    HD2  PHE  17           2HD      PHE  17   1.551   8.260   1.383
  115    HE1  PHE  17           1HE      PHE  17   4.482   7.118  -2.394
  116    HE2  PHE  17           2HE      PHE  17   1.053   9.134  -0.865
  117    HZ   PHE  17           HZ       PHE  17   2.521   8.562  -2.758
  118    H    SER  18           H        SER  18   2.543   7.465   4.710
  119    HA   SER  18           HA       SER  18   4.286   6.712   6.921
  120   1HB   SER  18          1HB       SER  18   1.865   8.227   6.703
  121   2HB   SER  18          2HB       SER  18   1.607   6.889   7.823
  122    HG   SER  18           HG       SER  18   3.498   7.593   8.938
  123    H    SER  19           H        SER  19   2.604   5.057   4.635
  124    HA   SER  19           HA       SER  19   3.006   2.526   5.471
  125   1HB   SER  19          1HB       SER  19   0.822   3.700   7.027
  126   2HB   SER  19          2HB       SER  19   0.381   2.190   6.231
  127    HG   SER  19           HG       SER  19   2.359   2.675   8.164
  128    H    GLY  20           H        GLY  20   0.963   0.985   4.711
  129   1HA   GLY  20          1HA       GLY  20  -0.496   2.013   2.466
  130   2HA   GLY  20          2HA       GLY  20   0.908   1.088   1.959
  131    H    LYS  21           H        LYS  21  -1.828   0.435   1.395
  132    HA   LYS  21           HA       LYS  21  -1.858  -2.242   2.532
  133   1HB   LYS  21          1HB       LYS  21  -4.187  -2.173   3.152
  134   2HB   LYS  21          2HB       LYS  21  -3.334  -0.901   3.992
  135   1HG   LYS  21          1HG       LYS  21  -4.142   0.678   2.201
  136   2HG   LYS  21          2HG       LYS  21  -5.176  -0.634   1.642
  137   1HD   LYS  21          1HD       LYS  21  -5.617  -0.498   4.392
  138   2HD   LYS  21          2HD       LYS  21  -5.534   1.181   3.863
  139   1HE   LYS  21          1HE       LYS  21  -7.686   0.931   3.318
  140   2HE   LYS  21          2HE       LYS  21  -7.086   0.040   1.920
  141   1HZ   LYS  21          1HZ       LYS  21  -7.140  -1.912   3.691
  142   2HZ   LYS  21          2HZ       LYS  21  -8.488  -1.507   2.754
  143   3HZ   LYS  21          3HZ       LYS  21  -8.370  -0.950   4.346
  144    H    CYS  22           H        CYS  22  -4.062  -3.239   1.560
  145    HA   CYS  22           HA       CYS  22  -4.129  -2.599  -1.302
  146   1HB   CYS  22          1HB       CYS  22  -3.555  -5.220   0.015
  147   2HB   CYS  22          2HB       CYS  22  -4.333  -5.189  -1.568
  148    H    ILE  23           H        ILE  23  -6.113  -2.411  -2.097
  149    HA   ILE  23           HA       ILE  23  -8.358  -3.287  -0.443
  150    HB   ILE  23           HB       ILE  23  -8.061  -0.864  -1.158
  151   1HG1  ILE  23          1HG1      ILE  23 -10.641  -0.972  -2.058
  152   2HG1  ILE  23          2HG1      ILE  23 -10.473  -2.519  -1.236
  153   1HG2  ILE  23          1HG2      ILE  23  -7.936  -0.262  -3.276
  154   2HG2  ILE  23          2HG2      ILE  23  -9.408  -1.145  -3.679
  155   3HG2  ILE  23          3HG2      ILE  23  -7.849  -1.970  -3.701
  156   1HD1  ILE  23          1HD1      ILE  23  -9.345  -0.767   0.541
  157   2HD1  ILE  23          2HD1      ILE  23 -10.989  -1.406   0.614
  158   3HD1  ILE  23          3HD1      ILE  23 -10.683   0.159  -0.140
  159    H    ASN  24           H        ASN  24 -10.016  -2.983  -3.108
  160    HA   ASN  24           HA       ASN  24 -10.550  -5.522  -3.678
  161   1HB   ASN  24          1HB       ASN  24 -10.958  -3.023  -5.005
  162   2HB   ASN  24          2HB       ASN  24 -10.563  -4.247  -6.209
  163   1HD2  ASN  24          1HD2      ASN  24 -12.503  -4.068  -3.226
  164   2HD2  ASN  24          2HD2      ASN  24 -13.902  -4.822  -3.902
  165    H    SER  25           H        SER  25  -7.988  -3.649  -5.225
  166    HA   SER  25           HA       SER  25  -6.210  -5.767  -5.434
  167   1HB   SER  25          1HB       SER  25  -8.164  -6.106  -7.313
  168   2HB   SER  25          2HB       SER  25  -6.953  -5.210  -8.227
  169    HG   SER  25           HG       SER  25  -6.592  -7.655  -6.830
  170    H    LYS  26           H        LYS  26  -6.270  -2.966  -4.755
  171    HA   LYS  26           HA       LYS  26  -4.014  -2.126  -6.396
  172   1HB   LYS  26          1HB       LYS  26  -4.861  -0.010  -6.973
  173   2HB   LYS  26          2HB       LYS  26  -6.155  -1.142  -7.333
  174   1HG   LYS  26          1HG       LYS  26  -6.999  -0.511  -4.951
  175   2HG   LYS  26          2HG       LYS  26  -5.981   0.912  -5.179
  176   1HD   LYS  26          1HD       LYS  26  -8.111   1.556  -5.941
  177   2HD   LYS  26          2HD       LYS  26  -7.187   1.217  -7.405
  178   1HE   LYS  26          1HE       LYS  26  -8.330  -0.750  -7.829
  179   2HE   LYS  26          2HE       LYS  26  -8.826  -0.945  -6.149
  180   1HZ   LYS  26          1HZ       LYS  26 -10.365   0.890  -6.420
  181   2HZ   LYS  26          2HZ       LYS  26 -10.678  -0.305  -7.574
  182   3HZ   LYS  26          3HZ       LYS  26  -9.872   1.112  -8.023
  183    H    CYS  27           H        CYS  27  -2.411  -1.504  -5.164
  184    HA   CYS  27           HA       CYS  27  -2.556  -1.276  -2.377
  185   1HB   CYS  27          1HB       CYS  27  -0.517  -2.019  -3.163
  186   2HB   CYS  27          2HB       CYS  27  -0.490  -0.880  -4.491
  187    H    LYS  28           H        LYS  28  -2.736   0.367  -1.111
  188    HA   LYS  28           HA       LYS  28  -2.815   3.086  -2.214
  189   1HB   LYS  28          1HB       LYS  28  -4.423   3.387  -0.122
  190   2HB   LYS  28          2HB       LYS  28  -5.032   2.903  -1.692
  191   1HG   LYS  28          1HG       LYS  28  -4.278   0.570  -0.228
  192   2HG   LYS  28          2HG       LYS  28  -5.296   1.587   0.787
  193   1HD   LYS  28          1HD       LYS  28  -6.176   1.222  -2.012
  194   2HD   LYS  28          2HD       LYS  28  -6.271  -0.196  -0.965
  195   1HE   LYS  28          1HE       LYS  28  -8.005   0.633   0.183
  196   2HE   LYS  28          2HE       LYS  28  -7.268   2.228   0.310
  197   1HZ   LYS  28          1HZ       LYS  28  -8.383   2.980  -1.474
  198   2HZ   LYS  28          2HZ       LYS  28  -9.451   1.716  -1.123
  199   3HZ   LYS  28          3HZ       LYS  28  -8.272   1.518  -2.321
  200    H    CYS  29           H        CYS  29  -1.746   4.651  -1.070
  201    HA   CYS  29           HA       CYS  29  -0.062   3.671   1.100
  202   1HB   CYS  29          1HB       CYS  29   0.115   6.100  -0.674
  203   2HB   CYS  29          2HB       CYS  29   1.147   5.873   0.734
  204    H    TYR  30           H        TYR  30   0.223   4.768   3.021
  205    HA   TYR  30           HA       TYR  30  -2.155   6.164   3.971
  206   1HB   TYR  30          1HB       TYR  30   0.181   4.912   5.428
  207   2HB   TYR  30          2HB       TYR  30  -1.122   5.778   6.228
  208    HD1  TYR  30           1HD      TYR  30  -1.257   3.580   7.503
  209    HD2  TYR  30           2HD      TYR  30  -2.263   3.915   3.384
  210    HE1  TYR  30           1HE      TYR  30  -2.566   1.508   7.657
  211    HE2  TYR  30           2HE      TYR  30  -3.566   1.849   3.520
  212    HH   TYR  30           HH       TYR  30  -4.661   0.549   6.231
  213    H    LYS  31           H        LYS  31  -1.188   7.957   2.512
  214    HA   LYS  31           HA       LYS  31   1.033   9.450   3.151
  215   1HB   LYS  31          1HB       LYS  31  -1.328   9.804   1.579
  216   2HB   LYS  31          2HB       LYS  31  -1.038  11.281   2.488
  217   1HG   LYS  31          1HG       LYS  31   1.384  10.232   1.298
  218   2HG   LYS  31          2HG       LYS  31   0.133  10.567   0.101
  219   1HD   LYS  31          1HD       LYS  31  -0.104  12.839   1.007
  220   2HD   LYS  31          2HD       LYS  31   1.168  12.496   2.180
  221   1HE   LYS  31          1HE       LYS  31   2.825  12.444   0.557
  222   2HE   LYS  31          2HE       LYS  31   1.679  12.142  -0.748
  223   1HZ   LYS  31          1HZ       LYS  31   2.652  14.621   0.258
  224   2HZ   LYS  31          2HZ       LYS  31   0.961  14.584   0.296
  225   3HZ   LYS  31          3HZ       LYS  31   1.780  14.307  -1.156
  Start of MODEL   13
    1   1H    ALA   1          1H        ALA   1  -3.217 -11.862 -10.059
    2   2H    ALA   1          2H        ALA   1  -1.846 -11.420 -10.992
    3   3H    ALA   1          3H        ALA   1  -2.840 -10.207 -10.291
    4    HA   ALA   1           HA       ALA   1  -1.327 -12.211  -8.761
    5   1HB   ALA   1          1HB       ALA   1  -0.117 -10.315 -10.217
    6   2HB   ALA   1          2HB       ALA   1   0.478 -10.855  -8.647
    7   3HB   ALA   1          3HB       ALA   1  -0.482  -9.379  -8.766
    8    H    ALA   2           H        ALA   2  -1.341 -11.847  -6.521
    9    HA   ALA   2           HA       ALA   2  -3.718 -10.453  -5.585
   10   1HB   ALA   2          1HB       ALA   2  -3.653 -11.785  -3.714
   11   2HB   ALA   2          2HB       ALA   2  -1.899 -11.950  -3.754
   12   3HB   ALA   2          3HB       ALA   2  -2.896 -12.841  -4.904
   13    H    CYS   3           H        CYS   3  -3.742  -8.675  -4.316
   14    HA   CYS   3           HA       CYS   3  -1.266  -7.183  -4.075
   15   1HB   CYS   3          1HB       CYS   3  -3.538  -6.221  -4.805
   16   2HB   CYS   3          2HB       CYS   3  -3.981  -6.292  -3.103
   17    H    TYR   4           H        TYR   4  -0.079  -6.970  -2.265
   18    HA   TYR   4           HA       TYR   4  -1.201  -8.041   0.241
   19   1HB   TYR   4          1HB       TYR   4   1.443  -8.267  -1.028
   20   2HB   TYR   4          2HB       TYR   4   1.494  -7.899   0.687
   21    HD1  TYR   4           1HD      TYR   4   1.962  -9.786   1.913
   22    HD2  TYR   4           2HD      TYR   4  -0.687 -10.117  -1.402
   23    HE1  TYR   4           1HE      TYR   4   1.597 -12.155   2.447
   24    HE2  TYR   4           2HE      TYR   4  -1.059 -12.489  -0.875
   25    HH   TYR   4           HH       TYR   4   0.884 -14.252   1.156
   26    H    SER   5           H        SER   5  -1.476  -6.710   1.911
   27    HA   SER   5           HA       SER   5  -1.036  -3.932   1.669
   28   1HB   SER   5          1HB       SER   5  -1.619  -5.541   4.165
   29   2HB   SER   5          2HB       SER   5  -1.781  -3.792   4.005
   30    HG   SER   5           HG       SER   5  -3.778  -4.875   3.720
   31    H    SER   6           H        SER   6   0.936  -6.515   2.938
   32    HA   SER   6           HA       SER   6   2.677  -4.816   4.460
   33   1HB   SER   6          1HB       SER   6   2.419  -7.660   3.961
   34   2HB   SER   6          2HB       SER   6   4.099  -7.154   3.796
   35    HG   SER   6           HG       SER   6   4.026  -6.316   5.871
   36    H    ASP   7           H        ASP   7   2.712  -6.236   1.223
   37    HA   ASP   7           HA       ASP   7   5.304  -5.261   0.528
   38   1HB   ASP   7          1HB       ASP   7   3.549  -7.032  -0.616
   39   2HB   ASP   7          2HB       ASP   7   3.364  -5.636  -1.663
   40    H    CYS   8           H        CYS   8   1.991  -4.203  -0.038
   41    HA   CYS   8           HA       CYS   8   2.381  -1.929  -1.554
   42   1HB   CYS   8          1HB       CYS   8   0.162  -2.744  -0.991
   43   2HB   CYS   8          2HB       CYS   8   0.429  -2.403   0.707
   44    H    ARG   9           H        ARG   9   2.269  -2.199   1.967
   45    HA   ARG   9           HA       ARG   9   2.816   0.420   2.642
   46   1HB   ARG   9          1HB       ARG   9   2.144  -1.056   4.365
   47   2HB   ARG   9          2HB       ARG   9   3.471  -2.164   4.036
   48   1HG   ARG   9          1HG       ARG   9   5.022  -0.839   5.065
   49   2HG   ARG   9          2HG       ARG   9   4.067   0.629   4.846
   50   1HD   ARG   9          1HD       ARG   9   2.733   0.191   6.669
   51   2HD   ARG   9          2HD       ARG   9   2.982  -1.550   6.566
   52    HE   ARG   9           HE       ARG   9   5.406  -0.267   7.227
   53   1HH1  ARG   9          1HH1      ARG   9   2.307  -1.088   8.626
   54   2HH1  ARG   9          2HH1      ARG   9   2.920  -1.183  10.242
   55   1HH2  ARG   9          1HH2      ARG   9   6.212  -0.390   9.359
   56   2HH2  ARG   9          2HH2      ARG   9   5.139  -0.785  10.657
   57    H    VAL  10           H        VAL  10   5.135  -2.236   2.029
   58    HA   VAL  10           HA       VAL  10   7.475  -0.857   2.657
   59    HB   VAL  10           HB       VAL  10   7.090  -2.927   0.482
   60   1HG1  VAL  10          1HG1      VAL  10   9.484  -1.546   1.525
   61   2HG1  VAL  10          2HG1      VAL  10   9.174  -2.237  -0.066
   62   3HG1  VAL  10          3HG1      VAL  10   9.626  -3.285   1.278
   63   1HG2  VAL  10          1HG2      VAL  10   7.051  -3.126   3.350
   64   2HG2  VAL  10          2HG2      VAL  10   8.398  -4.052   2.689
   65   3HG2  VAL  10          3HG2      VAL  10   6.754  -4.369   2.136
   66    H    LYS  11           H        LYS  11   5.659  -0.973  -0.390
   67    HA   LYS  11           HA       LYS  11   7.440   0.649  -1.875
   68   1HB   LYS  11          1HB       LYS  11   4.579  -0.168  -2.177
   69   2HB   LYS  11          2HB       LYS  11   5.206   1.124  -3.190
   70   1HG   LYS  11          1HG       LYS  11   5.896  -0.439  -4.595
   71   2HG   LYS  11          2HG       LYS  11   7.103  -0.896  -3.390
   72   1HD   LYS  11          1HD       LYS  11   4.878  -2.166  -2.457
   73   2HD   LYS  11          2HD       LYS  11   4.634  -2.257  -4.201
   74   1HE   LYS  11          1HE       LYS  11   5.833  -4.199  -3.638
   75   2HE   LYS  11          2HE       LYS  11   7.021  -3.104  -4.341
   76   1HZ   LYS  11          1HZ       LYS  11   7.860  -4.170  -2.339
   77   2HZ   LYS  11          2HZ       LYS  11   6.581  -3.532  -1.434
   78   3HZ   LYS  11          3HZ       LYS  11   7.732  -2.496  -2.115
   79    H    CYS  12           H        CYS  12   4.822   1.339   0.325
   80    HA   CYS  12           HA       CYS  12   4.673   4.124  -0.354
   81   1HB   CYS  12          1HB       CYS  12   3.586   2.618   2.030
   82   2HB   CYS  12          2HB       CYS  12   3.225   4.298   1.650
   83    H    VAL  13           H        VAL  13   6.291   2.189   2.137
   84    HA   VAL  13           HA       VAL  13   7.206   4.330   3.722
   85    HB   VAL  13           HB       VAL  13   8.423   1.605   3.264
   86   1HG1  VAL  13          1HG1      VAL  13  10.216   2.602   4.234
   87   2HG1  VAL  13          2HG1      VAL  13   9.300   2.274   5.705
   88   3HG1  VAL  13          3HG1      VAL  13   9.246   3.877   4.970
   89   1HG2  VAL  13          1HG2      VAL  13   6.218   2.602   4.917
   90   2HG2  VAL  13          2HG2      VAL  13   7.382   1.598   5.781
   91   3HG2  VAL  13          3HG2      VAL  13   6.567   0.969   4.351
   92    H    ALA  14           H        ALA  14   8.431   2.856   0.780
   93    HA   ALA  14           HA       ALA  14  10.886   4.401   0.825
   94   1HB   ALA  14          1HB       ALA  14  11.618   3.088  -0.902
   95   2HB   ALA  14          2HB       ALA  14   9.995   2.852  -1.552
   96   3HB   ALA  14          3HB       ALA  14  10.499   1.988  -0.099
   97    H    MET  15           H        MET  15   7.687   4.683  -0.515
   98    HA   MET  15           HA       MET  15   8.545   6.687  -2.460
   99   1HB   MET  15          1HB       MET  15   5.880   5.391  -1.892
  100   2HB   MET  15          2HB       MET  15   6.056   6.739  -3.006
  101   1HG   MET  15          1HG       MET  15   7.904   4.523  -3.488
  102   2HG   MET  15          2HG       MET  15   6.201   4.115  -3.683
  103   1HE   MET  15          1HE       MET  15   9.228   5.133  -5.191
  104   2HE   MET  15          2HE       MET  15   8.967   6.865  -4.978
  105   3HE   MET  15          3HE       MET  15   8.874   6.150  -6.588
  106    H    GLY  16           H        GLY  16   8.364   6.916   0.664
  107   1HA   GLY  16          1HA       GLY  16   8.193   8.781   2.016
  108   2HA   GLY  16          2HA       GLY  16   7.623   9.693   0.629
  109    H    PHE  17           H        PHE  17   6.493   7.051   2.749
  110    HA   PHE  17           HA       PHE  17   4.027   8.538   3.226
  111   1HB   PHE  17          1HB       PHE  17   4.094   5.734   2.096
  112   2HB   PHE  17          2HB       PHE  17   2.660   6.466   2.809
  113    HD1  PHE  17           1HD      PHE  17   4.821   6.302  -0.089
  114    HD2  PHE  17           2HD      PHE  17   1.560   8.350   1.704
  115    HE1  PHE  17           1HE      PHE  17   4.244   7.278  -2.273
  116    HE2  PHE  17           2HE      PHE  17   0.972   9.336  -0.472
  117    HZ   PHE  17           HZ       PHE  17   2.315   8.800  -2.466
  118    H    SER  18           H        SER  18   2.656   7.353   4.928
  119    HA   SER  18           HA       SER  18   4.490   6.469   7.021
  120   1HB   SER  18          1HB       SER  18   1.876   7.835   6.985
  121   2HB   SER  18          2HB       SER  18   2.098   6.674   8.293
  122    HG   SER  18           HG       SER  18   3.382   8.041   9.218
  123    H    SER  19           H        SER  19   2.691   4.954   4.745
  124    HA   SER  19           HA       SER  19   3.013   2.386   5.525
  125   1HB   SER  19          1HB       SER  19   0.935   3.627   7.146
  126   2HB   SER  19          2HB       SER  19   0.344   2.210   6.279
  127    HG   SER  19           HG       SER  19   1.280   1.739   8.353
  128    H    GLY  20           H        GLY  20   0.980   0.913   4.703
  129   1HA   GLY  20          1HA       GLY  20  -0.464   2.070   2.498
  130   2HA   GLY  20          2HA       GLY  20   0.877   1.065   1.983
  131    H    LYS  21           H        LYS  21  -1.824   0.509   1.350
  132    HA   LYS  21           HA       LYS  21  -2.062  -2.115   2.570
  133   1HB   LYS  21          1HB       LYS  21  -4.450  -1.863   3.001
  134   2HB   LYS  21          2HB       LYS  21  -3.517  -0.722   3.936
  135   1HG   LYS  21          1HG       LYS  21  -4.037   0.998   2.170
  136   2HG   LYS  21          2HG       LYS  21  -5.167  -0.175   1.491
  137   1HD   LYS  21          1HD       LYS  21  -6.449  -0.199   3.531
  138   2HD   LYS  21          2HD       LYS  21  -5.262   0.828   4.336
  139   1HE   LYS  21          1HE       LYS  21  -6.609   2.517   3.739
  140   2HE   LYS  21          2HE       LYS  21  -5.896   2.320   2.140
  141   1HZ   LYS  21          1HZ       LYS  21  -8.336   2.368   2.099
  142   2HZ   LYS  21          2HZ       LYS  21  -8.381   0.977   3.059
  143   3HZ   LYS  21          3HZ       LYS  21  -7.720   0.910   1.503
  144    H    CYS  22           H        CYS  22  -4.146  -3.124   1.547
  145    HA   CYS  22           HA       CYS  22  -4.135  -2.560  -1.337
  146   1HB   CYS  22          1HB       CYS  22  -3.737  -5.169   0.081
  147   2HB   CYS  22          2HB       CYS  22  -4.402  -5.132  -1.552
  148    H    ILE  23           H        ILE  23  -6.079  -2.312  -2.191
  149    HA   ILE  23           HA       ILE  23  -8.407  -3.070  -0.595
  150    HB   ILE  23           HB       ILE  23  -7.981  -0.671  -1.365
  151   1HG1  ILE  23          1HG1      ILE  23 -10.574  -0.761  -2.307
  152   2HG1  ILE  23          2HG1      ILE  23 -10.439  -2.233  -1.349
  153   1HG2  ILE  23          1HG2      ILE  23  -7.758  -1.832  -3.862
  154   2HG2  ILE  23          2HG2      ILE  23  -7.874  -0.111  -3.501
  155   3HG2  ILE  23          3HG2      ILE  23  -9.326  -1.027  -3.898
  156   1HD1  ILE  23          1HD1      ILE  23 -10.892  -0.969   0.414
  157   2HD1  ILE  23          2HD1      ILE  23 -10.635   0.520  -0.496
  158   3HD1  ILE  23          3HD1      ILE  23  -9.265  -0.311   0.239
  159    H    ASN  24           H        ASN  24 -10.016  -2.792  -3.261
  160    HA   ASN  24           HA       ASN  24 -10.574  -5.333  -3.800
  161   1HB   ASN  24          1HB       ASN  24 -10.969  -2.859  -5.167
  162   2HB   ASN  24          2HB       ASN  24 -10.554  -4.089  -6.352
  163   1HD2  ASN  24          1HD2      ASN  24 -13.053  -2.650  -4.836
  164   2HD2  ASN  24          2HD2      ASN  24 -14.239  -3.900  -4.957
  165    H    SER  25           H        SER  25  -7.948  -3.519  -5.322
  166    HA   SER  25           HA       SER  25  -6.255  -5.722  -5.537
  167   1HB   SER  25          1HB       SER  25  -6.345  -6.347  -7.799
  168   2HB   SER  25          2HB       SER  25  -8.033  -6.234  -7.309
  169    HG   SER  25           HG       SER  25  -8.310  -4.658  -8.673
  170    H    LYS  26           H        LYS  26  -6.294  -2.865  -4.879
  171    HA   LYS  26           HA       LYS  26  -3.933  -2.105  -6.410
  172   1HB   LYS  26          1HB       LYS  26  -4.720   0.150  -6.764
  173   2HB   LYS  26          2HB       LYS  26  -5.865  -0.991  -7.448
  174   1HG   LYS  26          1HG       LYS  26  -7.358  -0.682  -5.582
  175   2HG   LYS  26          2HG       LYS  26  -6.192   0.375  -4.784
  176   1HD   LYS  26          1HD       LYS  26  -7.176   2.092  -5.811
  177   2HD   LYS  26          2HD       LYS  26  -6.540   1.466  -7.334
  178   1HE   LYS  26          1HE       LYS  26  -9.112   0.450  -6.165
  179   2HE   LYS  26          2HE       LYS  26  -9.067   1.909  -7.152
  180   1HZ   LYS  26          1HZ       LYS  26  -9.418  -0.527  -8.151
  181   2HZ   LYS  26          2HZ       LYS  26  -7.736  -0.420  -8.273
  182   3HZ   LYS  26          3HZ       LYS  26  -8.713   0.737  -9.025
  183    H    CYS  27           H        CYS  27  -2.354  -1.275  -5.231
  184    HA   CYS  27           HA       CYS  27  -2.517  -1.206  -2.407
  185   1HB   CYS  27          1HB       CYS  27  -0.484  -1.953  -3.247
  186   2HB   CYS  27          2HB       CYS  27  -0.419  -0.718  -4.482
  187    H    LYS  28           H        LYS  28  -2.709   0.407  -1.110
  188    HA   LYS  28           HA       LYS  28  -2.791   3.156  -2.168
  189   1HB   LYS  28          1HB       LYS  28  -5.037   2.453  -1.587
  190   2HB   LYS  28          2HB       LYS  28  -4.500   1.904  -0.008
  191   1HG   LYS  28          1HG       LYS  28  -4.671   3.940   0.875
  192   2HG   LYS  28          2HG       LYS  28  -3.881   4.703  -0.504
  193   1HD   LYS  28          1HD       LYS  28  -6.057   5.599  -0.468
  194   2HD   LYS  28          2HD       LYS  28  -6.078   4.383  -1.748
  195   1HE   LYS  28          1HE       LYS  28  -6.832   2.851   0.315
  196   2HE   LYS  28          2HE       LYS  28  -7.433   4.406   0.888
  197   1HZ   LYS  28          1HZ       LYS  28  -8.050   3.609  -1.866
  198   2HZ   LYS  28          2HZ       LYS  28  -8.959   4.536  -0.783
  199   3HZ   LYS  28          3HZ       LYS  28  -8.895   2.856  -0.609
  200    H    CYS  29           H        CYS  29  -1.913   4.774  -0.832
  201    HA   CYS  29           HA       CYS  29  -0.098   3.703   1.207
  202   1HB   CYS  29          1HB       CYS  29   0.074   6.162  -0.518
  203   2HB   CYS  29          2HB       CYS  29   1.127   5.896   0.869
  204    H    TYR  30           H        TYR  30   0.232   4.754   3.146
  205    HA   TYR  30           HA       TYR  30  -2.121   6.163   4.152
  206   1HB   TYR  30          1HB       TYR  30   0.238   4.895   5.569
  207   2HB   TYR  30          2HB       TYR  30  -1.066   5.738   6.392
  208    HD1  TYR  30           1HD      TYR  30  -2.202   3.864   3.541
  209    HD2  TYR  30           2HD      TYR  30  -1.176   3.538   7.655
  210    HE1  TYR  30           1HE      TYR  30  -3.461   1.765   3.682
  211    HE2  TYR  30           2HE      TYR  30  -2.439   1.438   7.809
  212    HH   TYR  30           HH       TYR  30  -3.121  -0.436   5.965
  213    H    LYS  31           H        LYS  31  -1.144   7.942   2.668
  214    HA   LYS  31           HA       LYS  31   1.109   9.412   3.508
  215   1HB   LYS  31          1HB       LYS  31   0.168  11.247   2.118
  216   2HB   LYS  31          2HB       LYS  31   0.251   9.708   1.279
  217   1HG   LYS  31          1HG       LYS  31  -1.992   9.530   1.090
  218   2HG   LYS  31          2HG       LYS  31  -2.295  10.309   2.643
  219   1HD   LYS  31          1HD       LYS  31  -1.265  11.855   0.285
  220   2HD   LYS  31          2HD       LYS  31  -2.989  11.557   0.507
  221   1HE   LYS  31          1HE       LYS  31  -2.766  13.584   1.560
  222   2HE   LYS  31          2HE       LYS  31  -2.534  12.479   2.913
  223   1HZ   LYS  31          1HZ       LYS  31  -0.134  13.246   1.450
  224   2HZ   LYS  31          2HZ       LYS  31  -0.368  13.035   3.112
  225   3HZ   LYS  31          3HZ       LYS  31  -0.871  14.465   2.363
  Start of MODEL   14
    1   1H    ALA   1          1H        ALA   1  -1.019 -12.273  -8.906
    2   2H    ALA   1          2H        ALA   1   0.334 -12.187  -9.959
    3   3H    ALA   1          3H        ALA   1  -0.975 -11.092 -10.147
    4    HA   ALA   1           HA       ALA   1   0.989 -11.245  -7.967
    5   1HB   ALA   1          1HB       ALA   1   0.322  -9.196 -10.068
    6   2HB   ALA   1          2HB       ALA   1   1.857 -10.023  -9.791
    7   3HB   ALA   1          3HB       ALA   1   1.281  -8.819  -8.636
    8    H    ALA   2           H        ALA   2  -0.625 -11.686  -6.375
    9    HA   ALA   2           HA       ALA   2  -2.921 -10.078  -6.000
   10   1HB   ALA   2          1HB       ALA   2  -3.401 -11.510  -4.352
   11   2HB   ALA   2          2HB       ALA   2  -1.843 -11.270  -3.563
   12   3HB   ALA   2          3HB       ALA   2  -1.987 -12.409  -4.901
   13    H    CYS   3           H        CYS   3  -3.337  -8.431  -4.494
   14    HA   CYS   3           HA       CYS   3  -1.052  -6.719  -3.982
   15   1HB   CYS   3          1HB       CYS   3  -3.402  -6.002  -4.870
   16   2HB   CYS   3          2HB       CYS   3  -3.863  -6.051  -3.174
   17    H    TYR   4           H        TYR   4   0.095  -7.118  -2.204
   18    HA   TYR   4           HA       TYR   4  -1.289  -7.969   0.244
   19   1HB   TYR   4          1HB       TYR   4   1.415  -8.381  -0.848
   20   2HB   TYR   4          2HB       TYR   4   1.378  -8.001   0.866
   21    HD1  TYR   4           1HD      TYR   4  -0.166 -10.304  -1.633
   22    HD2  TYR   4           2HD      TYR   4   1.002  -9.682   2.411
   23    HE1  TYR   4           1HE      TYR   4  -0.729 -12.640  -1.116
   24    HE2  TYR   4           2HE      TYR   4   0.444 -12.014   2.940
   25    HH   TYR   4           HH       TYR   4   0.315 -14.285   1.344
   26    H    SER   5           H        SER   5  -1.858  -6.380   1.586
   27    HA   SER   5           HA       SER   5  -1.005  -3.732   1.346
   28   1HB   SER   5          1HB       SER   5  -2.039  -3.404   3.608
   29   2HB   SER   5          2HB       SER   5  -3.088  -4.238   2.462
   30    HG   SER   5           HG       SER   5  -3.116  -5.315   4.440
   31    H    SER   6           H        SER   6   0.542  -6.385   2.946
   32    HA   SER   6           HA       SER   6   2.169  -4.725   4.665
   33   1HB   SER   6          1HB       SER   6   1.913  -7.640   4.115
   34   2HB   SER   6          2HB       SER   6   3.490  -7.076   4.664
   35    HG   SER   6           HG       SER   6   2.425  -7.457   6.512
   36    H    ASP   7           H        ASP   7   2.504  -6.439   1.604
   37    HA   ASP   7           HA       ASP   7   5.257  -5.709   1.205
   38   1HB   ASP   7          1HB       ASP   7   3.597  -7.613   0.125
   39   2HB   ASP   7          2HB       ASP   7   3.655  -6.426  -1.169
   40    H    CYS   8           H        CYS   8   2.127  -4.669  -0.037
   41    HA   CYS   8           HA       CYS   8   3.080  -2.690  -1.782
   42   1HB   CYS   8          1HB       CYS   8   0.726  -3.873  -1.347
   43   2HB   CYS   8          2HB       CYS   8   0.455  -2.403  -0.439
   44    H    ARG   9           H        ARG   9   2.343  -2.759   1.649
   45    HA   ARG   9           HA       ARG   9   2.332   0.005   2.147
   46   1HB   ARG   9          1HB       ARG   9   1.540  -1.283   3.922
   47   2HB   ARG   9          2HB       ARG   9   2.872  -2.424   3.819
   48   1HG   ARG   9          1HG       ARG   9   4.390  -0.707   4.678
   49   2HG   ARG   9          2HG       ARG   9   3.028   0.399   4.835
   50   1HD   ARG   9          1HD       ARG   9   3.408  -2.224   6.283
   51   2HD   ARG   9          2HD       ARG   9   3.502  -0.609   6.984
   52    HE   ARG   9           HE       ARG   9   0.970  -1.022   5.779
   53   1HH1  ARG   9          1HH1      ARG   9   2.838  -1.918   8.600
   54   2HH1  ARG   9          2HH1      ARG   9   1.443  -2.165   9.597
   55   1HH2  ARG   9          1HH2      ARG   9  -0.867  -1.351   7.098
   56   2HH2  ARG   9          2HH2      ARG   9  -0.657  -1.842   8.746
   57    H    VAL  10           H        VAL  10   4.946  -2.427   2.136
   58    HA   VAL  10           HA       VAL  10   7.030  -0.742   2.966
   59    HB   VAL  10           HB       VAL  10   7.186  -3.043   1.001
   60   1HG1  VAL  10          1HG1      VAL  10   9.198  -1.813   0.809
   61   2HG1  VAL  10          2HG1      VAL  10   9.562  -3.182   1.858
   62   3HG1  VAL  10          3HG1      VAL  10   9.311  -1.582   2.554
   63   1HG2  VAL  10          1HG2      VAL  10   8.166  -4.000   3.347
   64   2HG2  VAL  10          2HG2      VAL  10   6.510  -4.225   2.787
   65   3HG2  VAL  10          3HG2      VAL  10   6.885  -2.928   3.921
   66    H    LYS  11           H        LYS  11   5.516  -1.225  -0.179
   67    HA   LYS  11           HA       LYS  11   7.366   0.271  -1.699
   68   1HB   LYS  11          1HB       LYS  11   4.428  -0.110  -2.272
   69   2HB   LYS  11          2HB       LYS  11   5.682   0.302  -3.433
   70   1HG   LYS  11          1HG       LYS  11   6.700  -1.993  -2.590
   71   2HG   LYS  11          2HG       LYS  11   5.008  -2.309  -2.203
   72   1HD   LYS  11          1HD       LYS  11   4.600  -1.429  -4.636
   73   2HD   LYS  11          2HD       LYS  11   6.297  -1.857  -4.858
   74   1HE   LYS  11          1HE       LYS  11   5.418  -4.087  -3.644
   75   2HE   LYS  11          2HE       LYS  11   3.934  -3.584  -4.453
   76   1HZ   LYS  11          1HZ       LYS  11   6.545  -3.889  -5.834
   77   2HZ   LYS  11          2HZ       LYS  11   5.032  -3.634  -6.549
   78   3HZ   LYS  11          3HZ       LYS  11   5.364  -5.099  -5.774
   79    H    CYS  12           H        CYS  12   4.575   1.141   0.236
   80    HA   CYS  12           HA       CYS  12   4.475   3.858  -0.707
   81   1HB   CYS  12          1HB       CYS  12   3.192   2.440   1.622
   82   2HB   CYS  12          2HB       CYS  12   3.052   4.179   1.412
   83    H    VAL  13           H        VAL  13   5.778   2.198   2.159
   84    HA   VAL  13           HA       VAL  13   6.704   4.469   3.517
   85    HB   VAL  13           HB       VAL  13   7.786   1.652   3.514
   86   1HG1  VAL  13          1HG1      VAL  13   8.827   2.252   5.677
   87   2HG1  VAL  13          2HG1      VAL  13   8.355   3.929   5.410
   88   3HG1  VAL  13          3HG1      VAL  13   9.505   3.153   4.320
   89   1HG2  VAL  13          1HG2      VAL  13   5.749   1.332   4.445
   90   2HG2  VAL  13          2HG2      VAL  13   5.577   3.023   4.919
   91   3HG2  VAL  13          3HG2      VAL  13   6.568   1.930   5.887
   92    H    ALA  14           H        ALA  14   8.079   2.600   0.883
   93    HA   ALA  14           HA       ALA  14  10.617   3.995   0.972
   94   1HB   ALA  14          1HB       ALA  14  11.390   2.446  -0.501
   95   2HB   ALA  14          2HB       ALA  14   9.851   2.328  -1.353
   96   3HB   ALA  14          3HB       ALA  14  10.059   1.527   0.205
   97    H    MET  15           H        MET  15   7.552   4.374  -0.613
   98    HA   MET  15           HA       MET  15   8.675   6.110  -2.675
   99   1HB   MET  15          1HB       MET  15   5.915   5.012  -2.170
  100   2HB   MET  15          2HB       MET  15   6.198   6.292  -3.341
  101   1HG   MET  15          1HG       MET  15   7.528   4.901  -4.694
  102   2HG   MET  15          2HG       MET  15   7.668   3.681  -3.430
  103   1HE   MET  15          1HE       MET  15   5.331   2.855  -6.817
  104   2HE   MET  15          2HE       MET  15   6.983   3.359  -6.459
  105   3HE   MET  15          3HE       MET  15   5.725   4.569  -6.700
  106    H    GLY  16           H        GLY  16   8.373   6.670   0.381
  107   1HA   GLY  16          1HA       GLY  16   8.365   8.745   1.444
  108   2HA   GLY  16          2HA       GLY  16   7.659   9.462   0.005
  109    H    PHE  17           H        PHE  17   6.640   6.889   2.265
  110    HA   PHE  17           HA       PHE  17   4.309   8.484   3.012
  111   1HB   PHE  17          1HB       PHE  17   4.099   5.708   1.820
  112   2HB   PHE  17          2HB       PHE  17   2.778   6.557   2.614
  113    HD1  PHE  17           1HD      PHE  17   4.839   6.337  -0.384
  114    HD2  PHE  17           2HD      PHE  17   1.716   8.441   1.576
  115    HE1  PHE  17           1HE      PHE  17   4.236   7.404  -2.518
  116    HE2  PHE  17           2HE      PHE  17   1.104   9.522  -0.552
  117    HZ   PHE  17           HZ       PHE  17   2.362   9.001  -2.604
  118    H    SER  18           H        SER  18   3.067   7.402   4.834
  119    HA   SER  18           HA       SER  18   5.016   6.330   6.714
  120   1HB   SER  18          1HB       SER  18   2.139   6.973   7.348
  121   2HB   SER  18          2HB       SER  18   3.512   6.900   8.453
  122    HG   SER  18           HG       SER  18   2.584   9.029   7.312
  123    H    SER  19           H        SER  19   2.985   4.967   4.531
  124    HA   SER  19           HA       SER  19   3.331   2.355   5.105
  125   1HB   SER  19          1HB       SER  19   1.416   3.498   6.992
  126   2HB   SER  19          2HB       SER  19   0.766   2.117   6.108
  127    HG   SER  19           HG       SER  19   1.822   1.047   7.593
  128    H    GLY  20           H        GLY  20   1.126   1.003   4.433
  129   1HA   GLY  20          1HA       GLY  20  -0.447   2.326   2.419
  130   2HA   GLY  20          2HA       GLY  20   0.805   1.303   1.734
  131    H    LYS  21           H        LYS  21  -1.887   0.815   1.242
  132    HA   LYS  21           HA       LYS  21  -2.179  -1.772   2.556
  133   1HB   LYS  21          1HB       LYS  21  -4.640  -1.405   2.703
  134   2HB   LYS  21          2HB       LYS  21  -3.693  -0.402   3.778
  135   1HG   LYS  21          1HG       LYS  21  -3.907   1.449   2.110
  136   2HG   LYS  21          2HG       LYS  21  -5.028   0.422   1.215
  137   1HD   LYS  21          1HD       LYS  21  -5.937   0.354   3.852
  138   2HD   LYS  21          2HD       LYS  21  -5.486   2.038   3.571
  139   1HE   LYS  21          1HE       LYS  21  -6.978   2.244   1.764
  140   2HE   LYS  21          2HE       LYS  21  -7.187   0.499   1.629
  141   1HZ   LYS  21          1HZ       LYS  21  -8.055   2.035   4.013
  142   2HZ   LYS  21          2HZ       LYS  21  -8.472   0.452   3.588
  143   3HZ   LYS  21          3HZ       LYS  21  -9.069   1.752   2.688
  144    H    CYS  22           H        CYS  22  -4.113  -2.894   1.509
  145    HA   CYS  22           HA       CYS  22  -4.179  -2.519  -1.390
  146   1HB   CYS  22          1HB       CYS  22  -3.272  -4.914   0.146
  147   2HB   CYS  22          2HB       CYS  22  -4.069  -5.147  -1.408
  148    H    ILE  23           H        ILE  23  -6.191  -2.708  -2.192
  149    HA   ILE  23           HA       ILE  23  -8.263  -3.844  -0.462
  150    HB   ILE  23           HB       ILE  23  -8.224  -1.350  -1.070
  151   1HG1  ILE  23          1HG1      ILE  23 -10.862  -1.781  -1.799
  152   2HG1  ILE  23          2HG1      ILE  23 -10.418  -3.241  -0.922
  153   1HG2  ILE  23          1HG2      ILE  23  -8.317  -0.676  -3.163
  154   2HG2  ILE  23          2HG2      ILE  23  -9.751  -1.655  -3.476
  155   3HG2  ILE  23          3HG2      ILE  23  -8.144  -2.354  -3.670
  156   1HD1  ILE  23          1HD1      ILE  23 -10.872  -2.109   0.929
  157   2HD1  ILE  23          2HD1      ILE  23 -10.925  -0.572   0.066
  158   3HD1  ILE  23          3HD1      ILE  23  -9.380  -1.215   0.627
  159    H    ASN  24           H        ASN  24 -10.169  -3.728  -2.817
  160    HA   ASN  24           HA       ASN  24 -10.290  -6.252  -3.637
  161   1HB   ASN  24          1HB       ASN  24 -11.318  -3.757  -4.579
  162   2HB   ASN  24          2HB       ASN  24 -10.881  -4.749  -5.963
  163   1HD2  ASN  24          1HD2      ASN  24 -12.731  -4.727  -2.968
  164   2HD2  ASN  24          2HD2      ASN  24 -13.917  -5.874  -3.478
  165    H    SER  25           H        SER  25  -8.376  -3.746  -5.204
  166    HA   SER  25           HA       SER  25  -6.298  -5.429  -5.991
  167   1HB   SER  25          1HB       SER  25  -8.395  -5.887  -7.641
  168   2HB   SER  25          2HB       SER  25  -7.630  -4.544  -8.489
  169    HG   SER  25           HG       SER  25  -6.905  -7.093  -8.473
  170    H    LYS  26           H        LYS  26  -6.654  -2.956  -4.722
  171    HA   LYS  26           HA       LYS  26  -5.022  -1.244  -6.429
  172   1HB   LYS  26          1HB       LYS  26  -7.465  -0.304  -4.911
  173   2HB   LYS  26          2HB       LYS  26  -6.306   0.751  -5.704
  174   1HG   LYS  26          1HG       LYS  26  -7.435   0.588  -7.597
  175   2HG   LYS  26          2HG       LYS  26  -7.196  -1.159  -7.607
  176   1HD   LYS  26          1HD       LYS  26  -9.189  -1.486  -6.283
  177   2HD   LYS  26          2HD       LYS  26  -9.401   0.258  -6.116
  178   1HE   LYS  26          1HE       LYS  26  -9.525  -1.310  -8.693
  179   2HE   LYS  26          2HE       LYS  26 -10.906  -0.670  -7.805
  180   1HZ   LYS  26          1HZ       LYS  26  -8.995   0.710  -9.512
  181   2HZ   LYS  26          2HZ       LYS  26  -9.489   1.549  -8.130
  182   3HZ   LYS  26          3HZ       LYS  26 -10.637   1.020  -9.255
  183    H    CYS  27           H        CYS  27  -3.709   0.219  -5.255
  184    HA   CYS  27           HA       CYS  27  -3.321  -0.515  -2.441
  185   1HB   CYS  27          1HB       CYS  27  -1.557  -1.055  -4.235
  186   2HB   CYS  27          2HB       CYS  27  -1.223   0.668  -4.226
  187    H    LYS  28           H        LYS  28  -3.223   1.009  -0.959
  188    HA   LYS  28           HA       LYS  28  -3.274   3.826  -1.822
  189   1HB   LYS  28          1HB       LYS  28  -5.493   3.254  -1.044
  190   2HB   LYS  28          2HB       LYS  28  -4.836   2.548   0.425
  191   1HG   LYS  28          1HG       LYS  28  -4.252   4.639   1.304
  192   2HG   LYS  28          2HG       LYS  28  -4.443   5.439  -0.256
  193   1HD   LYS  28          1HD       LYS  28  -6.789   4.083   1.007
  194   2HD   LYS  28          2HD       LYS  28  -6.289   5.673   1.582
  195   1HE   LYS  28          1HE       LYS  28  -6.583   6.630  -0.593
  196   2HE   LYS  28          2HE       LYS  28  -6.851   5.041  -1.311
  197   1HZ   LYS  28          1HZ       LYS  28  -8.829   6.642  -0.640
  198   2HZ   LYS  28          2HZ       LYS  28  -8.653   5.849   0.842
  199   3HZ   LYS  28          3HZ       LYS  28  -8.974   4.958  -0.560
  200    H    CYS  29           H        CYS  29  -2.089   5.258  -0.567
  201    HA   CYS  29           HA       CYS  29  -0.177   3.950   1.229
  202   1HB   CYS  29          1HB       CYS  29  -0.027   6.556  -0.277
  203   2HB   CYS  29          2HB       CYS  29   1.134   6.098   0.964
  204    H    TYR  30           H        TYR  30   0.394   4.877   3.200
  205    HA   TYR  30           HA       TYR  30  -1.818   6.235   4.531
  206   1HB   TYR  30          1HB       TYR  30   0.614   4.802   5.619
  207   2HB   TYR  30          2HB       TYR  30  -0.588   5.599   6.620
  208    HD1  TYR  30           1HD      TYR  30  -2.001   3.994   3.724
  209    HD2  TYR  30           2HD      TYR  30  -0.673   3.312   7.707
  210    HE1  TYR  30           1HE      TYR  30  -3.319   1.931   3.804
  211    HE2  TYR  30           2HE      TYR  30  -1.994   1.243   7.798
  212    HH   TYR  30           HH       TYR  30  -4.414   0.522   5.901
  213    H    LYS  31           H        LYS  31  -0.976   8.130   3.160
  214    HA   LYS  31           HA       LYS  31   1.368   9.499   3.631
  215   1HB   LYS  31          1HB       LYS  31  -1.374  10.700   3.179
  216   2HB   LYS  31          2HB       LYS  31   0.149  11.555   2.994
  217   1HG   LYS  31          1HG       LYS  31   0.632  10.559   1.014
  218   2HG   LYS  31          2HG       LYS  31  -0.203   9.062   1.433
  219   1HD   LYS  31          1HD       LYS  31  -2.283   9.905   0.831
  220   2HD   LYS  31          2HD       LYS  31  -1.761  11.582   0.999
  221   1HE   LYS  31          1HE       LYS  31  -1.912  11.271  -1.310
  222   2HE   LYS  31          2HE       LYS  31  -0.192  11.093  -0.967
  223   1HZ   LYS  31          1HZ       LYS  31  -0.969   8.571  -0.745
  224   2HZ   LYS  31          2HZ       LYS  31  -0.476   9.248  -2.213
  225   3HZ   LYS  31          3HZ       LYS  31  -2.123   9.106  -1.861
  Start of MODEL   15
    1   1H    ALA   1          1H        ALA   1  -2.844  -8.277 -10.526
    2   2H    ALA   1          2H        ALA   1  -1.761  -8.993  -9.404
    3   3H    ALA   1          3H        ALA   1  -2.372  -7.414  -9.125
    4    HA   ALA   1           HA       ALA   1  -4.503  -8.172  -8.738
    5   1HB   ALA   1          1HB       ALA   1  -5.373 -10.131  -9.429
    6   2HB   ALA   1          2HB       ALA   1  -3.900 -11.037  -9.082
    7   3HB   ALA   1          3HB       ALA   1  -4.020 -10.080 -10.560
    8    H    ALA   2           H        ALA   2  -1.886 -10.519  -8.018
    9    HA   ALA   2           HA       ALA   2  -2.721 -11.007  -5.366
   10   1HB   ALA   2          1HB       ALA   2  -1.354 -12.664  -6.248
   11   2HB   ALA   2          2HB       ALA   2  -0.279 -11.825  -5.131
   12   3HB   ALA   2          3HB       ALA   2  -0.172 -11.506  -6.862
   13    H    CYS   3           H        CYS   3  -3.102  -8.968  -4.433
   14    HA   CYS   3           HA       CYS   3  -0.866  -7.149  -4.070
   15   1HB   CYS   3          1HB       CYS   3  -3.076  -6.223  -4.584
   16   2HB   CYS   3          2HB       CYS   3  -3.743  -6.974  -3.140
   17    H    TYR   4           H        TYR   4   0.209  -6.775  -2.183
   18    HA   TYR   4           HA       TYR   4  -0.576  -8.386   0.162
   19   1HB   TYR   4          1HB       TYR   4   2.036  -8.124  -1.188
   20   2HB   TYR   4          2HB       TYR   4   2.090  -7.988   0.560
   21    HD1  TYR   4           1HD      TYR   4   0.861 -10.200  -2.174
   22    HD2  TYR   4           2HD      TYR   4   2.083  -9.900   1.892
   23    HE1  TYR   4           1HE      TYR   4   0.783 -12.649  -1.975
   24    HE2  TYR   4           2HE      TYR   4   2.012 -12.346   2.102
   25    HH   TYR   4           HH       TYR   4   2.244 -14.369   0.218
   26    H    SER   5           H        SER   5  -1.176  -7.150   1.814
   27    HA   SER   5           HA       SER   5  -0.909  -4.357   1.865
   28   1HB   SER   5          1HB       SER   5  -1.712  -4.502   4.192
   29   2HB   SER   5          2HB       SER   5  -2.661  -5.523   3.110
   30    HG   SER   5           HG       SER   5  -1.776  -7.300   3.977
   31    H    SER   6           H        SER   6   1.241  -6.874   2.942
   32    HA   SER   6           HA       SER   6   2.817  -5.143   4.630
   33   1HB   SER   6          1HB       SER   6   2.719  -7.986   4.023
   34   2HB   SER   6          2HB       SER   6   4.376  -7.382   3.991
   35    HG   SER   6           HG       SER   6   4.111  -7.772   6.083
   36    H    ASP   7           H        ASP   7   2.971  -6.424   1.353
   37    HA   ASP   7           HA       ASP   7   5.550  -5.327   0.760
   38   1HB   ASP   7          1HB       ASP   7   3.890  -7.150  -0.466
   39   2HB   ASP   7          2HB       ASP   7   3.710  -5.744  -1.500
   40    H    CYS   8           H        CYS   8   2.202  -4.427   0.183
   41    HA   CYS   8           HA       CYS   8   2.483  -2.125  -1.308
   42   1HB   CYS   8          1HB       CYS   8   0.308  -3.082  -0.758
   43   2HB   CYS   8          2HB       CYS   8   0.538  -2.693   0.935
   44    H    ARG   9           H        ARG   9   2.353  -2.437   2.217
   45    HA   ARG   9           HA       ARG   9   2.772   0.210   2.882
   46   1HB   ARG   9          1HB       ARG   9   2.151  -1.424   4.554
   47   2HB   ARG   9          2HB       ARG   9   3.680  -2.274   4.339
   48   1HG   ARG   9          1HG       ARG   9   4.679   0.072   4.919
   49   2HG   ARG   9          2HG       ARG   9   3.112   0.300   5.690
   50   1HD   ARG   9          1HD       ARG   9   4.077  -0.675   7.468
   51   2HD   ARG   9          2HD       ARG   9   3.793  -2.177   6.590
   52    HE   ARG   9           HE       ARG   9   6.209  -1.360   5.671
   53   1HH1  ARG   9          1HH1      ARG   9   4.917  -1.880   8.886
   54   2HH1  ARG   9          2HH1      ARG   9   6.453  -2.300   9.568
   55   1HH2  ARG   9          1HH2      ARG   9   8.227  -1.917   6.576
   56   2HH2  ARG   9          2HH2      ARG   9   8.332  -2.321   8.256
   57    H    VAL  10           H        VAL  10   5.217  -2.355   2.377
   58    HA   VAL  10           HA       VAL  10   7.467  -0.779   2.929
   59    HB   VAL  10           HB       VAL  10   7.257  -3.066   0.955
   60   1HG1  VAL  10          1HG1      VAL  10   9.315  -2.317   0.398
   61   2HG1  VAL  10          2HG1      VAL  10   9.787  -3.187   1.857
   62   3HG1  VAL  10          3HG1      VAL  10   9.530  -1.443   1.915
   63   1HG2  VAL  10          1HG2      VAL  10   7.363  -4.530   2.649
   64   2HG2  VAL  10          2HG2      VAL  10   6.790  -3.189   3.641
   65   3HG2  VAL  10          3HG2      VAL  10   8.514  -3.550   3.558
   66    H    LYS  11           H        LYS  11   5.579  -1.174  -0.026
   67    HA   LYS  11           HA       LYS  11   7.308   0.332  -1.697
   68   1HB   LYS  11          1HB       LYS  11   4.346  -0.190  -1.981
   69   2HB   LYS  11          2HB       LYS  11   5.394   0.433  -3.246
   70   1HG   LYS  11          1HG       LYS  11   6.671  -1.879  -2.538
   71   2HG   LYS  11          2HG       LYS  11   4.972  -2.306  -2.327
   72   1HD   LYS  11          1HD       LYS  11   4.550  -1.412  -4.627
   73   2HD   LYS  11          2HD       LYS  11   6.297  -1.237  -4.815
   74   1HE   LYS  11          1HE       LYS  11   6.506  -3.681  -4.302
   75   2HE   LYS  11          2HE       LYS  11   4.746  -3.782  -4.363
   76   1HZ   LYS  11          1HZ       LYS  11   6.549  -2.986  -6.587
   77   2HZ   LYS  11          2HZ       LYS  11   4.859  -2.952  -6.662
   78   3HZ   LYS  11          3HZ       LYS  11   5.664  -4.426  -6.468
   79    H    CYS  12           H        CYS  12   4.730   1.167   0.510
   80    HA   CYS  12           HA       CYS  12   4.580   3.897  -0.446
   81   1HB   CYS  12          1HB       CYS  12   3.330   2.564   1.963
   82   2HB   CYS  12          2HB       CYS  12   3.048   4.237   1.494
   83    H    VAL  13           H        VAL  13   6.061   2.138   2.248
   84    HA   VAL  13           HA       VAL  13   6.910   4.394   3.720
   85    HB   VAL  13           HB       VAL  13   8.099   1.621   3.556
   86   1HG1  VAL  13          1HG1      VAL  13   8.866   4.011   5.124
   87   2HG1  VAL  13          2HG1      VAL  13   9.849   2.662   4.555
   88   3HG1  VAL  13          3HG1      VAL  13   8.839   2.472   5.986
   89   1HG2  VAL  13          1HG2      VAL  13   6.602   2.527   5.936
   90   2HG2  VAL  13          2HG2      VAL  13   6.645   0.950   5.153
   91   3HG2  VAL  13          3HG2      VAL  13   5.656   2.243   4.476
   92    H    ALA  14           H        ALA  14   8.260   2.674   0.971
   93    HA   ALA  14           HA       ALA  14  10.745   4.170   1.037
   94   1HB   ALA  14          1HB       ALA  14  11.555   2.667  -0.441
   95   2HB   ALA  14          2HB       ALA  14  10.031   2.543  -1.319
   96   3HB   ALA  14          3HB       ALA  14  10.238   1.694   0.213
   97    H    MET  15           H        MET  15   7.631   4.416  -0.499
   98    HA   MET  15           HA       MET  15   8.647   6.260  -2.525
   99   1HB   MET  15          1HB       MET  15   5.945   5.017  -2.046
  100   2HB   MET  15          2HB       MET  15   6.178   6.318  -3.203
  101   1HG   MET  15          1HG       MET  15   7.800   3.803  -3.322
  102   2HG   MET  15          2HG       MET  15   6.208   3.918  -4.067
  103   1HE   MET  15          1HE       MET  15   6.166   5.576  -6.896
  104   2HE   MET  15          2HE       MET  15   6.584   7.088  -6.089
  105   3HE   MET  15          3HE       MET  15   5.533   5.920  -5.287
  106    H    GLY  16           H        GLY  16   8.277   6.723   0.555
  107   1HA   GLY  16          1HA       GLY  16   8.067   8.690   1.749
  108   2HA   GLY  16          2HA       GLY  16   7.598   9.503   0.267
  109    H    PHE  17           H        PHE  17   6.286   7.054   2.509
  110    HA   PHE  17           HA       PHE  17   3.825   8.614   2.727
  111   1HB   PHE  17          1HB       PHE  17   3.913   5.725   1.844
  112   2HB   PHE  17          2HB       PHE  17   2.455   6.523   2.419
  113    HD1  PHE  17           1HD      PHE  17   4.825   6.201  -0.321
  114    HD2  PHE  17           2HD      PHE  17   1.369   8.219   1.098
  115    HE1  PHE  17           1HE      PHE  17   4.365   7.000  -2.605
  116    HE2  PHE  17           2HE      PHE  17   0.896   9.028  -1.182
  117    HZ   PHE  17           HZ       PHE  17   2.396   8.417  -3.038
  118    H    SER  18           H        SER  18   2.407   7.775   4.524
  119    HA   SER  18           HA       SER  18   4.104   7.036   6.754
  120   1HB   SER  18          1HB       SER  18   1.139   7.498   6.961
  121   2HB   SER  18          2HB       SER  18   2.380   7.735   8.191
  122    HG   SER  18           HG       SER  18   1.451   9.641   6.958
  123    H    SER  19           H        SER  19   2.505   5.259   4.516
  124    HA   SER  19           HA       SER  19   2.919   2.772   5.445
  125   1HB   SER  19          1HB       SER  19   0.693   3.966   6.936
  126   2HB   SER  19          2HB       SER  19   0.310   2.405   6.216
  127    HG   SER  19           HG       SER  19   2.271   3.055   8.124
  128    H    GLY  20           H        GLY  20   0.939   1.162   4.712
  129   1HA   GLY  20          1HA       GLY  20  -0.524   2.103   2.421
  130   2HA   GLY  20          2HA       GLY  20   0.873   1.139   1.978
  131    H    LYS  21           H        LYS  21  -1.770   0.398   1.348
  132    HA   LYS  21           HA       LYS  21  -1.868  -2.169   2.685
  133   1HB   LYS  21          1HB       LYS  21  -4.188  -2.028   3.316
  134   2HB   LYS  21          2HB       LYS  21  -3.305  -0.719   4.059
  135   1HG   LYS  21          1HG       LYS  21  -4.112   0.773   2.218
  136   2HG   LYS  21          2HG       LYS  21  -5.138  -0.560   1.688
  137   1HD   LYS  21          1HD       LYS  21  -6.211  -0.577   3.915
  138   2HD   LYS  21          2HD       LYS  21  -5.225   0.812   4.374
  139   1HE   LYS  21          1HE       LYS  21  -6.235   2.131   2.583
  140   2HE   LYS  21          2HE       LYS  21  -7.207   0.741   2.100
  141   1HZ   LYS  21          1HZ       LYS  21  -7.480   2.475   4.454
  142   2HZ   LYS  21          2HZ       LYS  21  -7.977   0.863   4.579
  143   3HZ   LYS  21          3HZ       LYS  21  -8.675   1.871   3.416
  144    H    CYS  22           H        CYS  22  -3.986  -3.271   1.845
  145    HA   CYS  22           HA       CYS  22  -3.849  -3.155  -1.080
  146   1HB   CYS  22          1HB       CYS  22  -4.403  -5.382   0.854
  147   2HB   CYS  22          2HB       CYS  22  -4.977  -5.489  -0.809
  148    H    ILE  23           H        ILE  23  -5.525  -2.512  -2.190
  149    HA   ILE  23           HA       ILE  23  -8.095  -2.124  -0.826
  150    HB   ILE  23           HB       ILE  23  -7.745  -1.028  -3.559
  151   1HG1  ILE  23          1HG1      ILE  23  -6.555   0.763  -1.561
  152   2HG1  ILE  23          2HG1      ILE  23  -5.575  -0.661  -1.889
  153   1HG2  ILE  23          1HG2      ILE  23  -9.576  -0.708  -1.627
  154   2HG2  ILE  23          2HG2      ILE  23  -9.254   0.502  -2.868
  155   3HG2  ILE  23          3HG2      ILE  23  -8.521   0.660  -1.270
  156   1HD1  ILE  23          1HD1      ILE  23  -4.744   0.605  -3.533
  157   2HD1  ILE  23          2HD1      ILE  23  -6.154   1.665  -3.571
  158   3HD1  ILE  23          3HD1      ILE  23  -6.197   0.110  -4.402
  159    H    ASN  24           H        ASN  24  -9.438  -1.993  -3.544
  160    HA   ASN  24           HA       ASN  24 -10.595  -4.398  -3.722
  161   1HB   ASN  24          1HB       ASN  24 -10.368  -2.132  -5.437
  162   2HB   ASN  24          2HB       ASN  24 -10.209  -3.582  -6.421
  163   1HD2  ASN  24          1HD2      ASN  24 -12.347  -1.438  -5.127
  164   2HD2  ASN  24          2HD2      ASN  24 -13.786  -2.390  -5.206
  165    H    SER  25           H        SER  25  -7.598  -3.450  -5.312
  166    HA   SER  25           HA       SER  25  -6.376  -5.945  -5.138
  167   1HB   SER  25          1HB       SER  25  -8.236  -5.883  -7.226
  168   2HB   SER  25          2HB       SER  25  -6.681  -5.633  -8.017
  169    HG   SER  25           HG       SER  25  -7.516  -7.805  -6.409
  170    H    LYS  26           H        LYS  26  -5.837  -3.155  -4.734
  171    HA   LYS  26           HA       LYS  26  -3.338  -2.941  -6.200
  172   1HB   LYS  26          1HB       LYS  26  -5.460  -0.791  -6.136
  173   2HB   LYS  26          2HB       LYS  26  -3.784  -0.477  -6.556
  174   1HG   LYS  26          1HG       LYS  26  -3.960  -1.459  -8.592
  175   2HG   LYS  26          2HG       LYS  26  -5.171  -2.622  -8.054
  176   1HD   LYS  26          1HD       LYS  26  -5.962   0.233  -8.082
  177   2HD   LYS  26          2HD       LYS  26  -5.752  -0.555  -9.646
  178   1HE   LYS  26          1HE       LYS  26  -7.907  -1.143  -9.337
  179   2HE   LYS  26          2HE       LYS  26  -7.195  -2.434  -8.370
  180   1HZ   LYS  26          1HZ       LYS  26  -9.086  -0.902  -7.427
  181   2HZ   LYS  26          2HZ       LYS  26  -7.785   0.110  -7.043
  182   3HZ   LYS  26          3HZ       LYS  26  -7.841  -1.465  -6.429
  183    H    CYS  27           H        CYS  27  -1.894  -1.383  -5.216
  184    HA   CYS  27           HA       CYS  27  -2.048  -1.451  -2.347
  185   1HB   CYS  27          1HB       CYS  27   0.040  -2.028  -3.319
  186   2HB   CYS  27          2HB       CYS  27   0.050  -0.584  -4.309
  187    H    LYS  28           H        LYS  28  -2.698   0.124  -1.135
  188    HA   LYS  28           HA       LYS  28  -2.876   2.850  -2.236
  189   1HB   LYS  28          1HB       LYS  28  -5.057   1.992  -1.616
  190   2HB   LYS  28          2HB       LYS  28  -4.469   1.541  -0.025
  191   1HG   LYS  28          1HG       LYS  28  -5.076   3.521   0.747
  192   2HG   LYS  28          2HG       LYS  28  -3.957   4.302  -0.370
  193   1HD   LYS  28          1HD       LYS  28  -6.097   3.634  -1.976
  194   2HD   LYS  28          2HD       LYS  28  -6.862   4.108  -0.462
  195   1HE   LYS  28          1HE       LYS  28  -6.707   6.170  -1.392
  196   2HE   LYS  28          2HE       LYS  28  -5.096   6.101  -0.678
  197   1HZ   LYS  28          1HZ       LYS  28  -5.475   5.075  -3.403
  198   2HZ   LYS  28          2HZ       LYS  28  -4.112   5.789  -2.703
  199   3HZ   LYS  28          3HZ       LYS  28  -5.424   6.751  -3.169
  200    H    CYS  29           H        CYS  29  -2.075   4.558  -0.971
  201    HA   CYS  29           HA       CYS  29  -0.231   3.657   1.129
  202   1HB   CYS  29          1HB       CYS  29  -0.115   6.064  -0.679
  203   2HB   CYS  29          2HB       CYS  29   0.947   5.844   0.708
  204    H    TYR  30           H        TYR  30   0.043   4.843   3.002
  205    HA   TYR  30           HA       TYR  30  -2.400   6.150   3.922
  206   1HB   TYR  30          1HB       TYR  30   0.021   5.113   5.411
  207   2HB   TYR  30          2HB       TYR  30  -1.335   5.920   6.184
  208    HD1  TYR  30           1HD      TYR  30  -2.300   3.810   3.424
  209    HD2  TYR  30           2HD      TYR  30  -1.363   3.812   7.571
  210    HE1  TYR  30           1HE      TYR  30  -3.445   1.661   3.675
  211    HE2  TYR  30           2HE      TYR  30  -2.513   1.659   7.837
  212    HH   TYR  30           HH       TYR  30  -3.054  -0.355   6.173
  213    H    LYS  31           H        LYS  31  -1.498   7.924   2.350
  214    HA   LYS  31           HA       LYS  31   0.629   9.565   2.976
  215   1HB   LYS  31          1HB       LYS  31  -1.691   9.714   1.309
  216   2HB   LYS  31          2HB       LYS  31  -1.520  11.248   2.154
  217   1HG   LYS  31          1HG       LYS  31   0.657   9.915   0.569
  218   2HG   LYS  31          2HG       LYS  31  -0.393  11.195  -0.036
  219   1HD   LYS  31          1HD       LYS  31   0.748  12.798   1.048
  220   2HD   LYS  31          2HD       LYS  31   0.890  11.829   2.516
  221   1HE   LYS  31          1HE       LYS  31   2.687  10.516   1.376
  222   2HE   LYS  31          2HE       LYS  31   2.610  11.669   0.046
  223   1HZ   LYS  31          1HZ       LYS  31   3.428  12.183   2.848
  224   2HZ   LYS  31          2HZ       LYS  31   3.068  13.429   1.763
  225   3HZ   LYS  31          3HZ       LYS  31   4.350  12.374   1.441
  Start of MODEL   16
    1   1H    ALA   1          1H        ALA   1  -0.871 -10.843 -10.405
    2   2H    ALA   1          2H        ALA   1   0.014 -12.044  -9.556
    3   3H    ALA   1          3H        ALA   1   0.743 -11.200 -10.859
    4    HA   ALA   1           HA       ALA   1   1.394 -10.528  -8.568
    5   1HB   ALA   1          1HB       ALA   1   0.353  -8.601 -10.629
    6   2HB   ALA   1          2HB       ALA   1   2.015  -9.112 -10.338
    7   3HB   ALA   1          3HB       ALA   1   1.201  -8.063  -9.178
    8    H    ALA   2           H        ALA   2  -0.153 -11.344  -7.020
    9    HA   ALA   2           HA       ALA   2  -2.670 -10.128  -6.569
   10   1HB   ALA   2          1HB       ALA   2  -1.527 -12.381  -5.664
   11   2HB   ALA   2          2HB       ALA   2  -2.917 -11.621  -4.890
   12   3HB   ALA   2          3HB       ALA   2  -1.294 -11.344  -4.256
   13    H    CYS   3           H        CYS   3  -3.336  -8.650  -4.974
   14    HA   CYS   3           HA       CYS   3  -1.341  -6.639  -4.349
   15   1HB   CYS   3          1HB       CYS   3  -3.829  -6.318  -5.175
   16   2HB   CYS   3          2HB       CYS   3  -4.189  -6.429  -3.456
   17    H    TYR   4           H        TYR   4  -0.193  -6.722  -2.533
   18    HA   TYR   4           HA       TYR   4  -1.386  -7.979  -0.146
   19   1HB   TYR   4          1HB       TYR   4   1.322  -8.037  -1.296
   20   2HB   TYR   4          2HB       TYR   4   1.279  -7.762   0.434
   21    HD1  TYR   4           1HD      TYR   4  -0.636  -9.958  -1.920
   22    HD2  TYR   4           2HD      TYR   4   1.688  -9.672   1.632
   23    HE1  TYR   4           1HE      TYR   4  -0.934 -12.366  -1.538
   24    HE2  TYR   4           2HE      TYR   4   1.397 -12.080   2.024
   25    HH   TYR   4           HH       TYR   4  -0.890 -13.923   0.547
   26    H    SER   5           H        SER   5  -1.389  -6.921   1.798
   27    HA   SER   5           HA       SER   5  -1.197  -4.063   1.698
   28   1HB   SER   5          1HB       SER   5  -2.960  -4.906   3.048
   29   2HB   SER   5          2HB       SER   5  -1.884  -6.013   3.896
   30    HG   SER   5           HG       SER   5  -1.394  -3.251   4.062
   31    H    SER   6           H        SER   6   0.844  -6.669   2.846
   32    HA   SER   6           HA       SER   6   2.547  -4.973   4.418
   33   1HB   SER   6          1HB       SER   6   2.203  -7.688   4.296
   34   2HB   SER   6          2HB       SER   6   3.713  -7.490   3.405
   35    HG   SER   6           HG       SER   6   4.005  -7.748   5.693
   36    H    ASP   7           H        ASP   7   2.593  -6.283   1.145
   37    HA   ASP   7           HA       ASP   7   5.172  -5.260   0.468
   38   1HB   ASP   7          1HB       ASP   7   3.415  -7.018  -0.704
   39   2HB   ASP   7          2HB       ASP   7   3.228  -5.601  -1.724
   40    H    CYS   8           H        CYS   8   1.843  -4.208  -0.040
   41    HA   CYS   8           HA       CYS   8   2.250  -1.898  -1.513
   42   1HB   CYS   8          1HB       CYS   8   0.027  -2.827  -0.948
   43   2HB   CYS   8          2HB       CYS   8   0.245  -2.307   0.712
   44    H    ARG   9           H        ARG   9   2.113  -2.275   2.007
   45    HA   ARG   9           HA       ARG   9   2.632   0.353   2.717
   46   1HB   ARG   9          1HB       ARG   9   1.912  -1.317   4.338
   47   2HB   ARG   9          2HB       ARG   9   3.447  -2.165   4.167
   48   1HG   ARG   9          1HG       ARG   9   4.519  -0.756   5.503
   49   2HG   ARG   9          2HG       ARG   9   3.739   0.653   4.787
   50   1HD   ARG   9          1HD       ARG   9   2.802   0.772   6.857
   51   2HD   ARG   9          2HD       ARG   9   1.649  -0.333   6.113
   52    HE   ARG   9           HE       ARG   9   2.411  -2.009   7.473
   53   1HH1  ARG   9          1HH1      ARG   9   4.674   0.666   7.615
   54   2HH1  ARG   9          2HH1      ARG   9   5.572  -0.001   8.934
   55   1HH2  ARG   9          1HH2      ARG   9   3.606  -2.889   9.207
   56   2HH2  ARG   9          2HH2      ARG   9   4.964  -2.023   9.840
   57    H    VAL  10           H        VAL  10   4.954  -2.328   2.195
   58    HA   VAL  10           HA       VAL  10   7.276  -0.905   2.832
   59    HB   VAL  10           HB       VAL  10   6.976  -3.113   0.783
   60   1HG1  VAL  10          1HG1      VAL  10   9.086  -2.419   0.299
   61   2HG1  VAL  10          2HG1      VAL  10   9.467  -3.429   1.693
   62   3HG1  VAL  10          3HG1      VAL  10   9.326  -1.681   1.881
   63   1HG2  VAL  10          1HG2      VAL  10   8.144  -3.742   3.397
   64   2HG2  VAL  10          2HG2      VAL  10   6.959  -4.629   2.437
   65   3HG2  VAL  10          3HG2      VAL  10   6.442  -3.284   3.453
   66    H    LYS  11           H        LYS  11   5.441  -1.080  -0.176
   67    HA   LYS  11           HA       LYS  11   7.303   0.371  -1.756
   68   1HB   LYS  11          1HB       LYS  11   4.327  -0.020  -2.112
   69   2HB   LYS  11          2HB       LYS  11   5.401   0.657  -3.328
   70   1HG   LYS  11          1HG       LYS  11   6.448  -1.381  -3.722
   71   2HG   LYS  11          2HG       LYS  11   5.901  -2.064  -2.191
   72   1HD   LYS  11          1HD       LYS  11   3.556  -1.931  -3.083
   73   2HD   LYS  11          2HD       LYS  11   4.252  -1.501  -4.648
   74   1HE   LYS  11          1HE       LYS  11   5.301  -3.584  -4.881
   75   2HE   LYS  11          2HE       LYS  11   5.113  -3.963  -3.170
   76   1HZ   LYS  11          1HZ       LYS  11   2.577  -3.763  -3.837
   77   2HZ   LYS  11          2HZ       LYS  11   3.440  -5.209  -4.003
   78   3HZ   LYS  11          3HZ       LYS  11   3.191  -4.214  -5.350
   79    H    CYS  12           H        CYS  12   4.712   1.279   0.404
   80    HA   CYS  12           HA       CYS  12   4.728   4.043  -0.434
   81   1HB   CYS  12          1HB       CYS  12   3.437   2.764   1.982
   82   2HB   CYS  12          2HB       CYS  12   3.117   4.385   1.373
   83    H    VAL  13           H        VAL  13   6.046   2.100   2.225
   84    HA   VAL  13           HA       VAL  13   7.012   4.231   3.799
   85    HB   VAL  13           HB       VAL  13   8.043   1.403   3.526
   86   1HG1  VAL  13          1HG1      VAL  13   9.109   1.762   5.712
   87   2HG1  VAL  13          2HG1      VAL  13   8.623   3.456   5.662
   88   3HG1  VAL  13          3HG1      VAL  13   9.767   2.831   4.474
   89   1HG2  VAL  13          1HG2      VAL  13   6.771   1.762   5.989
   90   2HG2  VAL  13          2HG2      VAL  13   6.186   0.842   4.605
   91   3HG2  VAL  13          3HG2      VAL  13   5.721   2.531   4.799
   92    H    ALA  14           H        ALA  14   8.306   2.559   0.994
   93    HA   ALA  14           HA       ALA  14  10.882   3.876   1.155
   94   1HB   ALA  14          1HB       ALA  14  10.980   2.757  -1.238
   95   2HB   ALA  14          2HB       ALA  14   9.653   1.809  -0.570
   96   3HB   ALA  14          3HB       ALA  14  11.220   1.826   0.240
   97    H    MET  15           H        MET  15   7.811   4.400  -0.436
   98    HA   MET  15           HA       MET  15   8.979   6.342  -2.281
   99   1HB   MET  15          1HB       MET  15   6.218   5.174  -1.980
  100   2HB   MET  15          2HB       MET  15   6.521   6.571  -3.005
  101   1HG   MET  15          1HG       MET  15   8.204   5.214  -4.236
  102   2HG   MET  15          2HG       MET  15   7.693   3.819  -3.289
  103   1HE   MET  15          1HE       MET  15   6.691   2.450  -5.984
  104   2HE   MET  15          2HE       MET  15   5.164   2.260  -5.124
  105   3HE   MET  15          3HE       MET  15   6.684   2.261  -4.230
  106    H    GLY  16           H        GLY  16   8.543   6.596   0.813
  107   1HA   GLY  16          1HA       GLY  16   8.384   8.477   2.147
  108   2HA   GLY  16          2HA       GLY  16   7.993   9.417   0.717
  109    H    PHE  17           H        PHE  17   6.547   6.934   2.828
  110    HA   PHE  17           HA       PHE  17   4.131   8.559   3.037
  111   1HB   PHE  17          1HB       PHE  17   4.142   5.702   2.047
  112   2HB   PHE  17          2HB       PHE  17   2.700   6.517   2.640
  113    HD1  PHE  17           1HD      PHE  17   5.092   6.246  -0.091
  114    HD2  PHE  17           2HD      PHE  17   1.675   8.294   1.374
  115    HE1  PHE  17           1HE      PHE  17   4.680   7.149  -2.343
  116    HE2  PHE  17           2HE      PHE  17   1.250   9.209  -0.873
  117    HZ   PHE  17           HZ       PHE  17   2.756   8.635  -2.735
  118    H    SER  18           H        SER  18   2.581   7.481   4.688
  119    HA   SER  18           HA       SER  18   4.231   6.553   6.920
  120   1HB   SER  18          1HB       SER  18   1.467   7.776   6.956
  121   2HB   SER  18          2HB       SER  18   2.397   7.311   8.379
  122    HG   SER  18           HG       SER  18   2.754   9.462   6.640
  123    H    SER  19           H        SER  19   2.301   5.202   4.635
  124    HA   SER  19           HA       SER  19   2.225   2.668   5.776
  125   1HB   SER  19          1HB       SER  19   0.013   4.372   6.620
  126   2HB   SER  19          2HB       SER  19  -0.556   2.919   5.791
  127    HG   SER  19           HG       SER  19   0.710   1.695   7.265
  128    H    GLY  20           H        GLY  20   0.675   1.169   4.587
  129   1HA   GLY  20          1HA       GLY  20  -0.451   2.017   2.113
  130   2HA   GLY  20          2HA       GLY  20   1.100   1.230   1.867
  131    H    LYS  21           H        LYS  21  -1.843   0.473   1.304
  132    HA   LYS  21           HA       LYS  21  -1.535  -2.295   2.100
  133   1HB   LYS  21          1HB       LYS  21  -4.228  -1.211   2.709
  134   2HB   LYS  21          2HB       LYS  21  -3.331  -2.506   3.496
  135   1HG   LYS  21          1HG       LYS  21  -2.021  -0.952   4.705
  136   2HG   LYS  21          2HG       LYS  21  -2.669   0.381   3.757
  137   1HD   LYS  21          1HD       LYS  21  -4.823   0.153   4.753
  138   2HD   LYS  21          2HD       LYS  21  -4.380  -1.386   5.495
  139   1HE   LYS  21          1HE       LYS  21  -2.645   0.865   6.227
  140   2HE   LYS  21          2HE       LYS  21  -4.320   1.038   6.749
  141   1HZ   LYS  21          1HZ       LYS  21  -4.050  -1.312   7.657
  142   2HZ   LYS  21          2HZ       LYS  21  -3.264  -0.066   8.492
  143   3HZ   LYS  21          3HZ       LYS  21  -2.384  -1.080   7.462
  144    H    CYS  22           H        CYS  22  -3.817  -3.345   1.457
  145    HA   CYS  22           HA       CYS  22  -4.425  -2.428  -1.269
  146   1HB   CYS  22          1HB       CYS  22  -3.743  -5.181  -0.288
  147   2HB   CYS  22          2HB       CYS  22  -4.691  -4.956  -1.756
  148    H    ILE  23           H        ILE  23  -6.509  -2.193  -1.719
  149    HA   ILE  23           HA       ILE  23  -8.462  -3.070   0.260
  150    HB   ILE  23           HB       ILE  23  -8.327  -0.683  -0.512
  151   1HG1  ILE  23          1HG1      ILE  23 -10.985  -0.814  -1.142
  152   2HG1  ILE  23          2HG1      ILE  23 -10.724  -2.364  -0.348
  153   1HG2  ILE  23          1HG2      ILE  23  -8.425  -1.837  -3.071
  154   2HG2  ILE  23          2HG2      ILE  23  -8.353  -0.129  -2.643
  155   3HG2  ILE  23          3HG2      ILE  23  -9.914  -0.914  -2.869
  156   1HD1  ILE  23          1HD1      ILE  23 -10.905   0.280   0.783
  157   2HD1  ILE  23          2HD1      ILE  23  -9.424  -0.542   1.275
  158   3HD1  ILE  23          3HD1      ILE  23 -10.990  -1.296   1.573
  159    H    ASN  24           H        ASN  24 -10.425  -2.799  -2.304
  160    HA   ASN  24           HA       ASN  24 -11.137  -5.340  -2.609
  161   1HB   ASN  24          1HB       ASN  24 -11.523  -2.946  -4.125
  162   2HB   ASN  24          2HB       ASN  24 -11.279  -4.289  -5.236
  163   1HD2  ASN  24          1HD2      ASN  24 -13.545  -2.603  -3.551
  164   2HD2  ASN  24          2HD2      ASN  24 -14.805  -3.784  -3.506
  165    H    SER  25           H        SER  25  -8.648  -3.737  -4.528
  166    HA   SER  25           HA       SER  25  -6.953  -5.940  -4.665
  167   1HB   SER  25          1HB       SER  25  -9.074  -6.292  -6.403
  168   2HB   SER  25          2HB       SER  25  -7.819  -5.622  -7.445
  169    HG   SER  25           HG       SER  25  -7.590  -7.907  -5.770
  170    H    LYS  26           H        LYS  26  -6.845  -3.121  -4.186
  171    HA   LYS  26           HA       LYS  26  -4.736  -2.451  -6.080
  172   1HB   LYS  26          1HB       LYS  26  -5.572  -0.296  -6.611
  173   2HB   LYS  26          2HB       LYS  26  -6.892  -1.424  -6.873
  174   1HG   LYS  26          1HG       LYS  26  -7.339  -0.666  -4.299
  175   2HG   LYS  26          2HG       LYS  26  -6.663   0.807  -4.994
  176   1HD   LYS  26          1HD       LYS  26  -8.713  -0.580  -6.611
  177   2HD   LYS  26          2HD       LYS  26  -9.275   0.160  -5.114
  178   1HE   LYS  26          1HE       LYS  26  -9.357   2.108  -6.181
  179   2HE   LYS  26          2HE       LYS  26  -7.597   2.062  -6.284
  180   1HZ   LYS  26          1HZ       LYS  26  -9.077   0.562  -8.307
  181   2HZ   LYS  26          2HZ       LYS  26  -7.648   1.457  -8.450
  182   3HZ   LYS  26          3HZ       LYS  26  -9.140   2.252  -8.409
  183    H    CYS  27           H        CYS  27  -3.001  -1.718  -5.085
  184    HA   CYS  27           HA       CYS  27  -2.898  -1.368  -2.292
  185   1HB   CYS  27          1HB       CYS  27  -0.985  -2.297  -3.210
  186   2HB   CYS  27          2HB       CYS  27  -0.986  -1.209  -4.575
  187    H    LYS  28           H        LYS  28  -2.895   0.394  -1.129
  188    HA   LYS  28           HA       LYS  28  -2.879   3.008  -2.479
  189   1HB   LYS  28          1HB       LYS  28  -5.147   2.520  -1.802
  190   2HB   LYS  28          2HB       LYS  28  -4.612   2.101  -0.184
  191   1HG   LYS  28          1HG       LYS  28  -5.578   4.249  -0.057
  192   2HG   LYS  28          2HG       LYS  28  -3.832   4.463   0.073
  193   1HD   LYS  28          1HD       LYS  28  -3.929   4.823  -2.493
  194   2HD   LYS  28          2HD       LYS  28  -5.650   5.101  -2.225
  195   1HE   LYS  28          1HE       LYS  28  -5.265   7.161  -1.477
  196   2HE   LYS  28          2HE       LYS  28  -4.087   6.570  -0.305
  197   1HZ   LYS  28          1HZ       LYS  28  -3.562   7.258  -3.150
  198   2HZ   LYS  28          2HZ       LYS  28  -2.420   6.581  -2.101
  199   3HZ   LYS  28          3HZ       LYS  28  -3.043   8.120  -1.790
  200    H    CYS  29           H        CYS  29  -1.829   4.660  -1.441
  201    HA   CYS  29           HA       CYS  29  -0.080   3.816   0.756
  202   1HB   CYS  29          1HB       CYS  29   0.231   5.954  -1.343
  203   2HB   CYS  29          2HB       CYS  29   1.220   5.925   0.114
  204    H    TYR  30           H        TYR  30   0.119   4.981   2.598
  205    HA   TYR  30           HA       TYR  30  -1.922   7.048   3.035
  206   1HB   TYR  30          1HB       TYR  30  -0.843   4.992   4.962
  207   2HB   TYR  30          2HB       TYR  30  -1.943   6.300   5.401
  208    HD1  TYR  30           1HD      TYR  30  -4.071   6.468   3.846
  209    HD2  TYR  30           2HD      TYR  30  -1.777   2.947   4.456
  210    HE1  TYR  30           1HE      TYR  30  -6.005   5.101   3.166
  211    HE2  TYR  30           2HE      TYR  30  -3.692   1.572   3.787
  212    HH   TYR  30           HH       TYR  30  -5.795   1.918   2.318
  213    H    LYS  31           H        LYS  31  -0.413   8.542   2.313
  214    HA   LYS  31           HA       LYS  31   2.113   9.054   3.364
  215   1HB   LYS  31          1HB       LYS  31   1.862  11.343   2.531
  216   2HB   LYS  31          2HB       LYS  31   1.292  10.172   1.354
  217   1HG   LYS  31          1HG       LYS  31  -0.518  11.457   1.199
  218   2HG   LYS  31          2HG       LYS  31  -0.993  10.763   2.750
  219   1HD   LYS  31          1HD       LYS  31   0.804  12.848   3.335
  220   2HD   LYS  31          2HD       LYS  31  -0.295  13.477   2.108
  221   1HE   LYS  31          1HE       LYS  31  -1.764  13.844   3.737
  222   2HE   LYS  31          2HE       LYS  31  -1.938  12.096   3.880
  223   1HZ   LYS  31          1HZ       LYS  31  -1.373  12.640   6.005
  224   2HZ   LYS  31          2HZ       LYS  31  -0.413  13.956   5.556
  225   3HZ   LYS  31          3HZ       LYS  31   0.177  12.382   5.380
  Start of MODEL   17
    1   1H    ALA   1          1H        ALA   1  -1.021  -9.808 -10.694
    2   2H    ALA   1          2H        ALA   1  -1.081 -11.159  -9.639
    3   3H    ALA   1          3H        ALA   1  -0.520  -9.643  -9.064
    4    HA   ALA   1           HA       ALA   1  -2.764  -8.766  -9.709
    5   1HB   ALA   1          1HB       ALA   1  -4.442 -10.161 -10.270
    6   2HB   ALA   1          2HB       ALA   1  -3.853 -11.463  -9.235
    7   3HB   ALA   1          3HB       ALA   1  -3.117 -11.193 -10.816
    8    H    ALA   2           H        ALA   2  -1.537 -11.330  -7.595
    9    HA   ALA   2           HA       ALA   2  -3.222 -10.849  -5.398
   10   1HB   ALA   2          1HB       ALA   2  -1.687 -12.145  -4.106
   11   2HB   ALA   2          2HB       ALA   2  -0.390 -11.871  -5.268
   12   3HB   ALA   2          3HB       ALA   2  -1.780 -12.859  -5.715
   13    H    CYS   3           H        CYS   3  -3.405  -9.075  -4.221
   14    HA   CYS   3           HA       CYS   3  -1.166  -7.195  -4.074
   15   1HB   CYS   3          1HB       CYS   3  -3.552  -6.527  -4.774
   16   2HB   CYS   3          2HB       CYS   3  -3.965  -6.697  -3.072
   17    H    TYR   4           H        TYR   4   0.000  -6.944  -2.261
   18    HA   TYR   4           HA       TYR   4  -1.060  -8.103   0.234
   19   1HB   TYR   4          1HB       TYR   4   1.588  -8.274  -1.045
   20   2HB   TYR   4          2HB       TYR   4   1.627  -7.930   0.677
   21    HD1  TYR   4           1HD      TYR   4   0.227 -10.321  -1.808
   22    HD2  TYR   4           2HD      TYR   4   1.378  -9.648   2.231
   23    HE1  TYR   4           1HE      TYR   4  -0.121 -12.705  -1.319
   24    HE2  TYR   4           2HE      TYR   4   1.035 -12.025   2.734
   25    HH   TYR   4           HH       TYR   4   1.089 -14.274   1.153
   26    H    SER   5           H        SER   5  -1.511  -6.685   1.778
   27    HA   SER   5           HA       SER   5  -1.026  -3.930   1.541
   28   1HB   SER   5          1HB       SER   5  -1.681  -3.896   4.015
   29   2HB   SER   5          2HB       SER   5  -2.860  -4.577   2.893
   30    HG   SER   5           HG       SER   5  -1.199  -5.892   4.743
   31    H    SER   6           H        SER   6   0.901  -6.497   2.885
   32    HA   SER   6           HA       SER   6   2.597  -4.810   4.463
   33   1HB   SER   6          1HB       SER   6   2.752  -7.677   3.544
   34   2HB   SER   6          2HB       SER   6   4.129  -6.908   4.331
   35    HG   SER   6           HG       SER   6   1.844  -7.863   5.417
   36    H    ASP   7           H        ASP   7   2.733  -6.214   1.221
   37    HA   ASP   7           HA       ASP   7   5.343  -5.242   0.610
   38   1HB   ASP   7          1HB       ASP   7   3.615  -6.995  -0.600
   39   2HB   ASP   7          2HB       ASP   7   3.468  -5.590  -1.642
   40    H    CYS   8           H        CYS   8   2.055  -4.156  -0.060
   41    HA   CYS   8           HA       CYS   8   2.536  -1.878  -1.549
   42   1HB   CYS   8          1HB       CYS   8   0.281  -2.704  -1.062
   43   2HB   CYS   8          2HB       CYS   8   0.472  -2.270   0.626
   44    H    ARG   9           H        ARG   9   2.276  -2.174   1.965
   45    HA   ARG   9           HA       ARG   9   2.810   0.451   2.653
   46   1HB   ARG   9          1HB       ARG   9   2.030  -1.043   4.329
   47   2HB   ARG   9          2HB       ARG   9   3.397  -2.127   4.097
   48   1HG   ARG   9          1HG       ARG   9   4.772  -0.890   5.358
   49   2HG   ARG   9          2HG       ARG   9   4.065   0.635   4.825
   50   1HD   ARG   9          1HD       ARG   9   3.216   0.696   6.912
   51   2HD   ARG   9          2HD       ARG   9   2.012  -0.412   6.256
   52    HE   ARG   9           HE       ARG   9   4.148  -1.039   8.104
   53   1HH1  ARG   9          1HH1      ARG   9   1.756  -2.310   5.884
   54   2HH1  ARG   9          2HH1      ARG   9   1.760  -3.890   6.591
   55   1HH2  ARG   9          1HH2      ARG   9   4.149  -3.120   9.029
   56   2HH2  ARG   9          2HH2      ARG   9   3.118  -4.350   8.379
   57    H    VAL  10           H        VAL  10   5.115  -2.238   2.158
   58    HA   VAL  10           HA       VAL  10   7.436  -0.842   2.866
   59    HB   VAL  10           HB       VAL  10   7.158  -3.004   0.766
   60   1HG1  VAL  10          1HG1      VAL  10   9.610  -2.174   2.312
   61   2HG1  VAL  10          2HG1      VAL  10   9.275  -1.716   0.644
   62   3HG1  VAL  10          3HG1      VAL  10   9.513  -3.412   1.062
   63   1HG2  VAL  10          1HG2      VAL  10   6.544  -3.252   3.402
   64   2HG2  VAL  10          2HG2      VAL  10   8.251  -3.691   3.402
   65   3HG2  VAL  10          3HG2      VAL  10   7.116  -4.568   2.378
   66    H    LYS  11           H        LYS  11   5.644  -0.989  -0.165
   67    HA   LYS  11           HA       LYS  11   7.519   0.499  -1.697
   68   1HB   LYS  11          1HB       LYS  11   4.550   0.243  -2.175
   69   2HB   LYS  11          2HB       LYS  11   5.773   0.674  -3.361
   70   1HG   LYS  11          1HG       LYS  11   6.329  -1.886  -2.121
   71   2HG   LYS  11          2HG       LYS  11   4.737  -1.844  -2.884
   72   1HD   LYS  11          1HD       LYS  11   5.687  -1.193  -4.982
   73   2HD   LYS  11          2HD       LYS  11   7.279  -0.973  -4.250
   74   1HE   LYS  11          1HE       LYS  11   6.120  -3.638  -3.856
   75   2HE   LYS  11          2HE       LYS  11   6.437  -3.227  -5.541
   76   1HZ   LYS  11          1HZ       LYS  11   8.658  -3.224  -5.218
   77   2HZ   LYS  11          2HZ       LYS  11   8.270  -4.269  -3.946
   78   3HZ   LYS  11          3HZ       LYS  11   8.560  -2.633  -3.634
   79    H    CYS  12           H        CYS  12   4.880   1.333   0.425
   80    HA   CYS  12           HA       CYS  12   4.843   4.102  -0.392
   81   1HB   CYS  12          1HB       CYS  12   3.526   2.748   1.969
   82   2HB   CYS  12          2HB       CYS  12   3.222   4.398   1.436
   83    H    VAL  13           H        VAL  13   6.209   2.171   2.240
   84    HA   VAL  13           HA       VAL  13   7.068   4.316   3.863
   85    HB   VAL  13           HB       VAL  13   8.204   1.533   3.559
   86   1HG1  VAL  13          1HG1      VAL  13   9.116   2.008   5.890
   87   2HG1  VAL  13          2HG1      VAL  13   8.814   3.709   5.541
   88   3HG1  VAL  13          3HG1      VAL  13   9.936   2.792   4.538
   89   1HG2  VAL  13          1HG2      VAL  13   6.674   0.799   5.038
   90   2HG2  VAL  13          2HG2      VAL  13   5.759   2.207   4.498
   91   3HG2  VAL  13          3HG2      VAL  13   6.713   2.287   5.981
   92    H    ALA  14           H        ALA  14   8.453   2.728   1.057
   93    HA   ALA  14           HA       ALA  14  10.962   4.175   1.258
   94   1HB   ALA  14          1HB       ALA  14  10.426   1.751   0.284
   95   2HB   ALA  14          2HB       ALA  14  11.782   2.731  -0.274
   96   3HB   ALA  14          3HB       ALA  14  10.283   2.692  -1.201
   97    H    MET  15           H        MET  15   7.887   4.532  -0.337
   98    HA   MET  15           HA       MET  15   8.964   6.487  -2.224
   99   1HB   MET  15          1HB       MET  15   6.233   5.251  -1.884
  100   2HB   MET  15          2HB       MET  15   6.526   6.598  -2.976
  101   1HG   MET  15          1HG       MET  15   8.261   4.205  -3.220
  102   2HG   MET  15          2HG       MET  15   6.596   4.090  -3.786
  103   1HE   MET  15          1HE       MET  15   8.628   3.426  -5.757
  104   2HE   MET  15          2HE       MET  15   9.959   4.435  -5.192
  105   3HE   MET  15          3HE       MET  15   9.288   4.683  -6.804
  106    H    GLY  16           H        GLY  16   8.532   6.764   0.863
  107   1HA   GLY  16          1HA       GLY  16   8.275   8.631   2.191
  108   2HA   GLY  16          2HA       GLY  16   7.899   9.557   0.750
  109    H    PHE  17           H        PHE  17   6.460   7.079   2.870
  110    HA   PHE  17           HA       PHE  17   3.997   8.642   2.960
  111   1HB   PHE  17          1HB       PHE  17   4.132   5.770   2.033
  112   2HB   PHE  17          2HB       PHE  17   2.645   6.530   2.589
  113    HD1  PHE  17           1HD      PHE  17   5.061   6.262  -0.106
  114    HD2  PHE  17           2HD      PHE  17   1.607   8.303   1.289
  115    HE1  PHE  17           1HE      PHE  17   4.661   7.118  -2.377
  116    HE2  PHE  17           2HE      PHE  17   1.196   9.168  -0.980
  117    HZ   PHE  17           HZ       PHE  17   2.724   8.576  -2.817
  118    H    SER  18           H        SER  18   2.435   7.643   4.609
  119    HA   SER  18           HA       SER  18   4.012   6.963   6.956
  120   1HB   SER  18          1HB       SER  18   1.947   8.668   6.697
  121   2HB   SER  18          2HB       SER  18   1.069   7.224   7.203
  122    HG   SER  18           HG       SER  18   2.110   7.232   9.102
  123    H    SER  19           H        SER  19   2.582   5.186   4.604
  124    HA   SER  19           HA       SER  19   2.970   2.695   5.512
  125   1HB   SER  19          1HB       SER  19   0.717   3.847   6.971
  126   2HB   SER  19          2HB       SER  19   0.294   2.347   6.149
  127    HG   SER  19           HG       SER  19   1.121   1.638   8.007
  128    H    GLY  20           H        GLY  20   1.013   1.088   4.696
  129   1HA   GLY  20          1HA       GLY  20  -0.356   2.043   2.350
  130   2HA   GLY  20          2HA       GLY  20   1.055   1.072   1.962
  131    H    LYS  21           H        LYS  21  -1.626   0.374   1.271
  132    HA   LYS  21           HA       LYS  21  -1.735  -2.226   2.544
  133   1HB   LYS  21          1HB       LYS  21  -3.999  -2.103   3.272
  134   2HB   LYS  21          2HB       LYS  21  -3.168  -0.723   3.941
  135   1HG   LYS  21          1HG       LYS  21  -4.094   0.665   2.090
  136   2HG   LYS  21          2HG       LYS  21  -5.038  -0.738   1.593
  137   1HD   LYS  21          1HD       LYS  21  -5.602  -0.561   4.274
  138   2HD   LYS  21          2HD       LYS  21  -5.473   1.133   3.796
  139   1HE   LYS  21          1HE       LYS  21  -7.773   0.261   3.607
  140   2HE   LYS  21          2HE       LYS  21  -7.124   0.816   2.065
  141   1HZ   LYS  21          1HZ       LYS  21  -6.768  -2.010   2.708
  142   2HZ   LYS  21          2HZ       LYS  21  -7.098  -1.270   1.223
  143   3HZ   LYS  21          3HZ       LYS  21  -8.343  -1.506   2.344
  144    H    CYS  22           H        CYS  22  -4.120  -3.089   1.638
  145    HA   CYS  22           HA       CYS  22  -4.075  -2.649  -1.261
  146   1HB   CYS  22          1HB       CYS  22  -3.790  -5.214   0.247
  147   2HB   CYS  22          2HB       CYS  22  -4.543  -5.220  -1.349
  148    H    ILE  23           H        ILE  23  -6.023  -2.337  -2.111
  149    HA   ILE  23           HA       ILE  23  -8.365  -2.793  -0.428
  150    HB   ILE  23           HB       ILE  23  -7.806  -0.539  -1.500
  151   1HG1  ILE  23          1HG1      ILE  23 -10.423  -0.630  -2.430
  152   2HG1  ILE  23          2HG1      ILE  23 -10.344  -1.916  -1.231
  153   1HG2  ILE  23          1HG2      ILE  23  -9.199  -1.142  -3.965
  154   2HG2  ILE  23          2HG2      ILE  23  -7.673  -2.013  -3.831
  155   3HG2  ILE  23          3HG2      ILE  23  -7.699  -0.257  -3.693
  156   1HD1  ILE  23          1HD1      ILE  23 -10.346   0.964  -0.880
  157   2HD1  ILE  23          2HD1      ILE  23  -9.060   0.158   0.019
  158   3HD1  ILE  23          3HD1      ILE  23 -10.741  -0.320   0.263
  159    H    ASN  24           H        ASN  24 -10.009  -2.761  -3.075
  160    HA   ASN  24           HA       ASN  24 -10.689  -5.321  -3.318
  161   1HB   ASN  24          1HB       ASN  24 -10.985  -2.993  -4.942
  162   2HB   ASN  24          2HB       ASN  24 -10.634  -4.363  -5.991
  163   1HD2  ASN  24          1HD2      ASN  24 -13.090  -2.658  -5.123
  164   2HD2  ASN  24          2HD2      ASN  24 -14.321  -3.852  -4.912
  165    H    SER  25           H        SER  25  -8.043  -3.772  -5.050
  166    HA   SER  25           HA       SER  25  -6.362  -5.982  -5.038
  167   1HB   SER  25          1HB       SER  25  -8.333  -6.417  -6.880
  168   2HB   SER  25          2HB       SER  25  -7.098  -5.647  -7.874
  169    HG   SER  25           HG       SER  25  -6.184  -7.531  -7.891
  170    H    LYS  26           H        LYS  26  -6.286  -3.177  -4.572
  171    HA   LYS  26           HA       LYS  26  -4.057  -2.487  -6.329
  172   1HB   LYS  26          1HB       LYS  26  -6.589  -0.913  -6.045
  173   2HB   LYS  26          2HB       LYS  26  -5.071  -0.073  -6.328
  174   1HG   LYS  26          1HG       LYS  26  -4.731  -1.362  -8.373
  175   2HG   LYS  26          2HG       LYS  26  -6.253  -2.209  -8.092
  176   1HD   LYS  26          1HD       LYS  26  -7.329   0.112  -8.065
  177   2HD   LYS  26          2HD       LYS  26  -5.814   0.685  -8.765
  178   1HE   LYS  26          1HE       LYS  26  -7.641  -1.419  -9.925
  179   2HE   LYS  26          2HE       LYS  26  -7.453   0.235 -10.507
  180   1HZ   LYS  26          1HZ       LYS  26  -5.157  -0.249 -11.062
  181   2HZ   LYS  26          2HZ       LYS  26  -6.187  -1.342 -11.841
  182   3HZ   LYS  26          3HZ       LYS  26  -5.313  -1.830 -10.477
  183    H    CYS  27           H        CYS  27  -2.396  -1.811  -5.182
  184    HA   CYS  27           HA       CYS  27  -2.424  -1.479  -2.409
  185   1HB   CYS  27          1HB       CYS  27  -0.403  -2.196  -3.265
  186   2HB   CYS  27          2HB       CYS  27  -0.457  -1.090  -4.618
  187    H    LYS  28           H        LYS  28  -2.543   0.206  -1.177
  188    HA   LYS  28           HA       LYS  28  -2.714   2.892  -2.361
  189   1HB   LYS  28          1HB       LYS  28  -4.958   2.205  -1.767
  190   2HB   LYS  28          2HB       LYS  28  -4.428   1.730  -0.160
  191   1HG   LYS  28          1HG       LYS  28  -4.142   3.943   0.526
  192   2HG   LYS  28          2HG       LYS  28  -4.173   4.552  -1.130
  193   1HD   LYS  28          1HD       LYS  28  -6.562   3.128  -0.035
  194   2HD   LYS  28          2HD       LYS  28  -6.272   4.809   0.415
  195   1HE   LYS  28          1HE       LYS  28  -5.953   5.087  -2.194
  196   2HE   LYS  28          2HE       LYS  28  -6.950   3.634  -2.239
  197   1HZ   LYS  28          1HZ       LYS  28  -7.654   6.347  -1.414
  198   2HZ   LYS  28          2HZ       LYS  28  -8.394   5.075  -0.583
  199   3HZ   LYS  28          3HZ       LYS  28  -8.569   5.202  -2.260
  200    H    CYS  29           H        CYS  29  -1.854   4.576  -1.124
  201    HA   CYS  29           HA       CYS  29  -0.031   3.658   0.978
  202   1HB   CYS  29          1HB       CYS  29   0.045   6.059  -0.836
  203   2HB   CYS  29          2HB       CYS  29   1.085   5.912   0.577
  204    H    TYR  30           H        TYR  30   0.217   4.781   2.891
  205    HA   TYR  30           HA       TYR  30  -2.208   6.120   3.816
  206   1HB   TYR  30          1HB       TYR  30   0.146   4.929   5.286
  207   2HB   TYR  30          2HB       TYR  30  -1.146   5.810   6.086
  208    HD1  TYR  30           1HD      TYR  30  -1.356   3.700   7.438
  209    HD2  TYR  30           2HD      TYR  30  -2.227   3.816   3.277
  210    HE1  TYR  30           1HE      TYR  30  -2.650   1.623   7.656
  211    HE2  TYR  30           2HE      TYR  30  -3.517   1.743   3.481
  212    HH   TYR  30           HH       TYR  30  -4.676   0.556   6.230
  213    H    LYS  31           H        LYS  31  -1.325   7.909   2.347
  214    HA   LYS  31           HA       LYS  31   0.871   9.472   2.890
  215   1HB   LYS  31          1HB       LYS  31  -1.812  10.651   2.168
  216   2HB   LYS  31          2HB       LYS  31  -0.218  11.262   1.752
  217   1HG   LYS  31          1HG       LYS  31  -0.013   8.968   0.496
  218   2HG   LYS  31          2HG       LYS  31  -1.775   9.033   0.545
  219   1HD   LYS  31          1HD       LYS  31  -0.175  11.381  -0.414
  220   2HD   LYS  31          2HD       LYS  31  -0.549  10.040  -1.495
  221   1HE   LYS  31          1HE       LYS  31  -2.519  11.788  -0.023
  222   2HE   LYS  31          2HE       LYS  31  -2.210  11.770  -1.759
  223   1HZ   LYS  31          1HZ       LYS  31  -4.061  10.461  -1.630
  224   2HZ   LYS  31          2HZ       LYS  31  -3.669   9.830  -0.111
  225   3HZ   LYS  31          3HZ       LYS  31  -2.866   9.269  -1.490
  Start of MODEL   18
    1   1H    ALA   1          1H        ALA   1  -3.847  -9.656 -10.241
    2   2H    ALA   1          2H        ALA   1  -3.249 -11.262 -10.334
    3   3H    ALA   1          3H        ALA   1  -2.729 -10.084 -11.467
    4    HA   ALA   1           HA       ALA   1  -1.118 -10.617  -9.726
    5   1HB   ALA   1          1HB       ALA   1  -0.972  -8.039  -9.060
    6   2HB   ALA   1          2HB       ALA   1  -2.136  -7.914 -10.379
    7   3HB   ALA   1          3HB       ALA   1  -0.551  -8.633 -10.666
    8    H    ALA   2           H        ALA   2  -0.623 -10.807  -7.598
    9    HA   ALA   2           HA       ALA   2  -2.836 -10.629  -5.718
   10   1HB   ALA   2          1HB       ALA   2  -0.058 -11.769  -5.399
   11   2HB   ALA   2          2HB       ALA   2  -1.542 -12.671  -5.708
   12   3HB   ALA   2          3HB       ALA   2  -1.328 -11.828  -4.175
   13    H    CYS   3           H        CYS   3  -3.177  -8.788  -4.686
   14    HA   CYS   3           HA       CYS   3  -0.977  -6.924  -4.235
   15   1HB   CYS   3          1HB       CYS   3  -3.367  -6.347  -5.139
   16   2HB   CYS   3          2HB       CYS   3  -3.823  -6.387  -3.440
   17    H    TYR   4           H        TYR   4   0.108  -6.921  -2.369
   18    HA   TYR   4           HA       TYR   4  -1.200  -8.041   0.021
   19   1HB   TYR   4          1HB       TYR   4   1.535  -8.196  -1.033
   20   2HB   TYR   4          2HB       TYR   4   1.454  -7.826   0.679
   21    HD1  TYR   4           1HD      TYR   4   0.908  -9.485   2.268
   22    HD2  TYR   4           2HD      TYR   4   0.435 -10.297  -1.881
   23    HE1  TYR   4           1HE      TYR   4   0.537 -11.859   2.783
   24    HE2  TYR   4           2HE      TYR   4   0.062 -12.674  -1.380
   25    HH   TYR   4           HH       TYR   4   0.790 -14.265   0.661
   26    H    SER   5           H        SER   5  -1.254  -6.930   1.928
   27    HA   SER   5           HA       SER   5  -1.074  -4.080   1.759
   28   1HB   SER   5          1HB       SER   5  -1.577  -4.334   4.316
   29   2HB   SER   5          2HB       SER   5  -2.823  -4.748   3.139
   30    HG   SER   5           HG       SER   5  -1.271  -6.417   4.763
   31    H    SER   6           H        SER   6   0.974  -6.628   3.016
   32    HA   SER   6           HA       SER   6   2.630  -4.882   4.578
   33   1HB   SER   6          1HB       SER   6   2.636  -7.757   3.851
   34   2HB   SER   6          2HB       SER   6   4.219  -7.047   4.165
   35    HG   SER   6           HG       SER   6   3.491  -6.417   6.201
   36    H    ASP   7           H        ASP   7   2.758  -6.246   1.326
   37    HA   ASP   7           HA       ASP   7   5.342  -5.198   0.700
   38   1HB   ASP   7          1HB       ASP   7   3.666  -7.009  -0.498
   39   2HB   ASP   7          2HB       ASP   7   3.458  -5.607  -1.535
   40    H    CYS   8           H        CYS   8   2.013  -4.230   0.070
   41    HA   CYS   8           HA       CYS   8   2.383  -1.933  -1.420
   42   1HB   CYS   8          1HB       CYS   8   0.177  -2.885  -0.877
   43   2HB   CYS   8          2HB       CYS   8   0.369  -2.383   0.791
   44    H    ARG   9           H        ARG   9   2.184  -2.229   2.106
   45    HA   ARG   9           HA       ARG   9   2.661   0.420   2.763
   46   1HB   ARG   9          1HB       ARG   9   1.922  -1.213   4.409
   47   2HB   ARG   9          2HB       ARG   9   3.457  -2.066   4.282
   48   1HG   ARG   9          1HG       ARG   9   4.534   0.125   4.963
   49   2HG   ARG   9          2HG       ARG   9   2.913   0.636   5.430
   50   1HD   ARG   9          1HD       ARG   9   3.939  -0.227   7.392
   51   2HD   ARG   9          2HD       ARG   9   2.778  -1.437   6.849
   52    HE   ARG   9           HE       ARG   9   4.513  -2.873   6.367
   53   1HH1  ARG   9          1HH1      ARG   9   5.803   0.299   7.109
   54   2HH1  ARG   9          2HH1      ARG   9   7.440  -0.254   7.208
   55   1HH2  ARG   9          1HH2      ARG   9   6.675  -3.595   6.494
   56   2HH2  ARG   9          2HH2      ARG   9   7.936  -2.465   6.861
   57    H    VAL  10           H        VAL  10   5.027  -2.242   2.366
   58    HA   VAL  10           HA       VAL  10   7.316  -0.786   3.032
   59    HB   VAL  10           HB       VAL  10   7.081  -3.024   1.008
   60   1HG1  VAL  10          1HG1      VAL  10   9.574  -3.272   1.961
   61   2HG1  VAL  10          2HG1      VAL  10   9.391  -1.522   2.076
   62   3HG1  VAL  10          3HG1      VAL  10   9.180  -2.328   0.524
   63   1HG2  VAL  10          1HG2      VAL  10   6.514  -3.173   3.666
   64   2HG2  VAL  10          2HG2      VAL  10   8.230  -3.581   3.652
   65   3HG2  VAL  10          3HG2      VAL  10   7.093  -4.519   2.684
   66    H    LYS  11           H        LYS  11   5.575  -1.044  -0.027
   67    HA   LYS  11           HA       LYS  11   7.452   0.424  -1.576
   68   1HB   LYS  11          1HB       LYS  11   4.491   0.034  -2.029
   69   2HB   LYS  11          2HB       LYS  11   5.642   0.605  -3.229
   70   1HG   LYS  11          1HG       LYS  11   6.530  -1.475  -3.569
   71   2HG   LYS  11          2HG       LYS  11   6.121  -2.039  -1.947
   72   1HD   LYS  11          1HD       LYS  11   4.398  -3.098  -2.896
   73   2HD   LYS  11          2HD       LYS  11   3.661  -1.507  -3.081
   74   1HE   LYS  11          1HE       LYS  11   3.926  -1.521  -5.300
   75   2HE   LYS  11          2HE       LYS  11   5.585  -2.103  -5.179
   76   1HZ   LYS  11          1HZ       LYS  11   4.661  -3.904  -6.151
   77   2HZ   LYS  11          2HZ       LYS  11   3.113  -3.601  -5.543
   78   3HZ   LYS  11          3HZ       LYS  11   4.282  -4.318  -4.553
   79    H    CYS  12           H        CYS  12   4.807   1.306   0.517
   80    HA   CYS  12           HA       CYS  12   4.758   4.052  -0.382
   81   1HB   CYS  12          1HB       CYS  12   3.440   2.759   2.014
   82   2HB   CYS  12          2HB       CYS  12   3.124   4.389   1.423
   83    H    VAL  13           H        VAL  13   6.103   2.198   2.314
   84    HA   VAL  13           HA       VAL  13   6.959   4.376   3.886
   85    HB   VAL  13           HB       VAL  13   8.111   1.593   3.646
   86   1HG1  VAL  13          1HG1      VAL  13   9.797   2.943   4.631
   87   2HG1  VAL  13          2HG1      VAL  13   9.009   2.083   5.955
   88   3HG1  VAL  13          3HG1      VAL  13   8.627   3.779   5.652
   89   1HG2  VAL  13          1HG2      VAL  13   6.606   2.290   6.049
   90   2HG2  VAL  13          2HG2      VAL  13   6.500   0.866   5.014
   91   3HG2  VAL  13          3HG2      VAL  13   5.643   2.342   4.571
   92    H    ALA  14           H        ALA  14   8.375   2.717   1.132
   93    HA   ALA  14           HA       ALA  14  10.875   4.182   1.314
   94   1HB   ALA  14          1HB       ALA  14  11.561   2.901  -0.601
   95   2HB   ALA  14          2HB       ALA  14   9.914   2.327  -0.852
   96   3HB   ALA  14          3HB       ALA  14  10.816   1.824   0.579
   97    H    MET  15           H        MET  15   7.806   4.492  -0.302
   98    HA   MET  15           HA       MET  15   8.889   6.381  -2.253
   99   1HB   MET  15          1HB       MET  15   6.167   5.142  -1.873
  100   2HB   MET  15          2HB       MET  15   6.429   6.483  -2.981
  101   1HG   MET  15          1HG       MET  15   7.976   3.916  -3.131
  102   2HG   MET  15          2HG       MET  15   6.460   4.182  -3.991
  103   1HE   MET  15          1HE       MET  15   6.809   3.908  -6.014
  104   2HE   MET  15          2HE       MET  15   8.398   3.985  -6.778
  105   3HE   MET  15          3HE       MET  15   7.220   5.267  -7.059
  106    H    GLY  16           H        GLY  16   8.449   6.763   0.829
  107   1HA   GLY  16          1HA       GLY  16   8.252   8.704   2.064
  108   2HA   GLY  16          2HA       GLY  16   7.799   9.556   0.599
  109    H    PHE  17           H        PHE  17   6.460   7.064   2.773
  110    HA   PHE  17           HA       PHE  17   4.013   8.634   3.033
  111   1HB   PHE  17          1HB       PHE  17   4.057   5.773   2.048
  112   2HB   PHE  17          2HB       PHE  17   2.610   6.590   2.633
  113    HD1  PHE  17           1HD      PHE  17   1.574   8.339   1.342
  114    HD2  PHE  17           2HD      PHE  17   5.010   6.304  -0.096
  115    HE1  PHE  17           1HE      PHE  17   1.140   9.224  -0.914
  116    HE2  PHE  17           2HE      PHE  17   4.593   7.181  -2.358
  117    HZ   PHE  17           HZ       PHE  17   2.655   8.645  -2.770
  118    H    SER  18           H        SER  18   2.505   7.478   4.695
  119    HA   SER  18           HA       SER  18   4.224   6.626   6.900
  120   1HB   SER  18          1HB       SER  18   2.900   7.790   8.308
  121   2HB   SER  18          2HB       SER  18   2.265   8.546   6.850
  122    HG   SER  18           HG       SER  18   0.744   7.514   8.440
  123    H    SER  19           H        SER  19   2.260   5.224   4.639
  124    HA   SER  19           HA       SER  19   2.442   2.650   5.668
  125   1HB   SER  19          1HB       SER  19   0.240   4.164   6.799
  126   2HB   SER  19          2HB       SER  19  -0.354   2.754   5.915
  127    HG   SER  19           HG       SER  19   0.358   2.578   8.267
  128    H    GLY  20           H        GLY  20   0.681   1.142   4.604
  129   1HA   GLY  20          1HA       GLY  20  -0.559   2.010   2.199
  130   2HA   GLY  20          2HA       GLY  20   0.985   1.249   1.852
  131    H    LYS  21           H        LYS  21  -1.903   0.453   1.345
  132    HA   LYS  21           HA       LYS  21  -1.525  -2.313   2.078
  133   1HB   LYS  21          1HB       LYS  21  -3.657  -2.632   3.121
  134   2HB   LYS  21          2HB       LYS  21  -2.797  -1.378   3.975
  135   1HG   LYS  21          1HG       LYS  21  -4.132   0.290   2.627
  136   2HG   LYS  21          2HG       LYS  21  -5.118  -1.079   2.107
  137   1HD   LYS  21          1HD       LYS  21  -5.047  -1.437   4.813
  138   2HD   LYS  21          2HD       LYS  21  -5.044   0.321   4.682
  139   1HE   LYS  21          1HE       LYS  21  -7.283   0.037   4.604
  140   2HE   LYS  21          2HE       LYS  21  -6.962  -0.253   2.896
  141   1HZ   LYS  21          1HZ       LYS  21  -6.647  -2.703   3.820
  142   2HZ   LYS  21          2HZ       LYS  21  -8.157  -2.103   3.352
  143   3HZ   LYS  21          3HZ       LYS  21  -7.732  -2.135   4.988
  144    H    CYS  22           H        CYS  22  -3.683  -3.466   1.343
  145    HA   CYS  22           HA       CYS  22  -4.262  -2.510  -1.378
  146   1HB   CYS  22          1HB       CYS  22  -3.660  -5.298  -0.408
  147   2HB   CYS  22          2HB       CYS  22  -4.404  -4.979  -1.972
  148    H    ILE  23           H        ILE  23  -6.325  -2.313  -1.893
  149    HA   ILE  23           HA       ILE  23  -8.336  -3.263  -0.008
  150    HB   ILE  23           HB       ILE  23  -8.224  -0.857  -0.743
  151   1HG1  ILE  23          1HG1      ILE  23 -10.849  -1.035  -1.468
  152   2HG1  ILE  23          2HG1      ILE  23 -10.585  -2.600  -0.704
  153   1HG2  ILE  23          1HG2      ILE  23  -8.181  -0.276  -2.867
  154   2HG2  ILE  23          2HG2      ILE  23  -9.714  -1.097  -3.162
  155   3HG2  ILE  23          3HG2      ILE  23  -8.196  -1.982  -3.317
  156   1HD1  ILE  23          1HD1      ILE  23 -10.953  -1.583   1.229
  157   2HD1  ILE  23          2HD1      ILE  23 -10.861   0.014   0.486
  158   3HD1  ILE  23          3HD1      ILE  23  -9.389  -0.798   1.018
  159    H    ASN  24           H        ASN  24 -10.205  -2.992  -2.629
  160    HA   ASN  24           HA       ASN  24 -10.843  -5.542  -3.018
  161   1HB   ASN  24          1HB       ASN  24 -11.244  -3.121  -4.481
  162   2HB   ASN  24          2HB       ASN  24 -10.928  -4.423  -5.622
  163   1HD2  ASN  24          1HD2      ASN  24 -13.376  -2.815  -4.575
  164   2HD2  ASN  24          2HD2      ASN  24 -14.569  -4.044  -4.362
  165    H    SER  25           H        SER  25  -8.317  -3.842  -4.801
  166    HA   SER  25           HA       SER  25  -6.595  -6.018  -4.956
  167   1HB   SER  25          1HB       SER  25  -8.455  -6.768  -6.557
  168   2HB   SER  25          2HB       SER  25  -7.878  -5.498  -7.635
  169    HG   SER  25           HG       SER  25  -6.430  -7.741  -6.674
  170    H    LYS  26           H        LYS  26  -6.547  -3.204  -4.410
  171    HA   LYS  26           HA       LYS  26  -4.384  -2.473  -6.213
  172   1HB   LYS  26          1HB       LYS  26  -5.240  -0.339  -6.777
  173   2HB   LYS  26          2HB       LYS  26  -6.525  -1.494  -7.090
  174   1HG   LYS  26          1HG       LYS  26  -7.111  -0.771  -4.551
  175   2HG   LYS  26          2HG       LYS  26  -6.404   0.722  -5.173
  176   1HD   LYS  26          1HD       LYS  26  -8.689   0.916  -5.652
  177   2HD   LYS  26          2HD       LYS  26  -7.965   0.407  -7.179
  178   1HE   LYS  26          1HE       LYS  26  -8.530  -1.993  -6.046
  179   2HE   LYS  26          2HE       LYS  26  -9.839  -1.005  -5.399
  180   1HZ   LYS  26          1HZ       LYS  26  -9.176  -1.443  -8.259
  181   2HZ   LYS  26          2HZ       LYS  26 -10.317  -0.318  -7.721
  182   3HZ   LYS  26          3HZ       LYS  26 -10.561  -1.967  -7.436
  183    H    CYS  27           H        CYS  27  -2.704  -1.757  -5.128
  184    HA   CYS  27           HA       CYS  27  -2.751  -1.365  -2.333
  185   1HB   CYS  27          1HB       CYS  27  -0.796  -2.312  -3.136
  186   2HB   CYS  27          2HB       CYS  27  -0.715  -1.237  -4.510
  187    H    LYS  28           H        LYS  28  -2.855   0.394  -1.221
  188    HA   LYS  28           HA       LYS  28  -2.757   3.003  -2.577
  189   1HB   LYS  28          1HB       LYS  28  -5.051   2.499  -1.976
  190   2HB   LYS  28          2HB       LYS  28  -4.572   2.128  -0.328
  191   1HG   LYS  28          1HG       LYS  28  -5.457   4.246  -0.141
  192   2HG   LYS  28          2HG       LYS  28  -3.727   4.560  -0.267
  193   1HD   LYS  28          1HD       LYS  28  -4.575   4.528  -2.899
  194   2HD   LYS  28          2HD       LYS  28  -5.899   5.325  -2.048
  195   1HE   LYS  28          1HE       LYS  28  -4.648   7.139  -1.519
  196   2HE   LYS  28          2HE       LYS  28  -3.168   6.200  -1.333
  197   1HZ   LYS  28          1HZ       LYS  28  -3.309   7.800  -3.285
  198   2HZ   LYS  28          2HZ       LYS  28  -4.366   6.687  -3.994
  199   3HZ   LYS  28          3HZ       LYS  28  -2.781   6.227  -3.619
  200    H    CYS  29           H        CYS  29  -1.755   4.671  -1.488
  201    HA   CYS  29           HA       CYS  29  -0.062   3.811   0.747
  202   1HB   CYS  29          1HB       CYS  29   0.269   5.992  -1.303
  203   2HB   CYS  29          2HB       CYS  29   1.231   5.942   0.171
  204    H    TYR  30           H        TYR  30   0.102   4.955   2.611
  205    HA   TYR  30           HA       TYR  30  -1.996   6.951   3.077
  206   1HB   TYR  30          1HB       TYR  30  -0.792   4.954   4.993
  207   2HB   TYR  30          2HB       TYR  30  -1.995   6.171   5.420
  208    HD1  TYR  30           1HD      TYR  30  -1.620   2.833   4.621
  209    HD2  TYR  30           2HD      TYR  30  -4.049   6.186   3.681
  210    HE1  TYR  30           1HE      TYR  30  -3.408   1.319   3.918
  211    HE2  TYR  30           2HE      TYR  30  -5.865   4.683   2.966
  212    HH   TYR  30           HH       TYR  30  -6.547   2.228   3.532
  213    H    LYS  31           H        LYS  31  -0.477   8.467   2.296
  214    HA   LYS  31           HA       LYS  31   2.006   9.097   3.354
  215   1HB   LYS  31          1HB       LYS  31   1.510  11.455   2.608
  216   2HB   LYS  31          2HB       LYS  31   1.303  10.219   1.377
  217   1HG   LYS  31          1HG       LYS  31  -1.152  10.248   1.894
  218   2HG   LYS  31          2HG       LYS  31  -0.848  11.649   2.921
  219   1HD   LYS  31          1HD       LYS  31   0.198  12.751   0.907
  220   2HD   LYS  31          2HD       LYS  31  -0.430  11.411  -0.054
  221   1HE   LYS  31          1HE       LYS  31  -2.621  12.061   0.220
  222   2HE   LYS  31          2HE       LYS  31  -2.293  12.907   1.732
  223   1HZ   LYS  31          1HZ       LYS  31  -2.639  14.610   0.227
  224   2HZ   LYS  31          2HZ       LYS  31  -1.833  13.821  -1.034
  225   3HZ   LYS  31          3HZ       LYS  31  -0.951  14.495   0.245
  Start of MODEL   19
    1   1H    ALA   1          1H        ALA   1  -2.871 -10.302 -10.357
    2   2H    ALA   1          2H        ALA   1  -2.151 -11.799  -9.926
    3   3H    ALA   1          3H        ALA   1  -1.509 -10.880 -11.225
    4    HA   ALA   1           HA       ALA   1  -0.237 -10.781  -9.147
    5   1HB   ALA   1          1HB       ALA   1  -0.266  -8.163  -9.185
    6   2HB   ALA   1          2HB       ALA   1  -1.322  -8.399 -10.579
    7   3HB   ALA   1          3HB       ALA   1   0.308  -9.071 -10.584
    8    H    ALA   2           H        ALA   2  -0.936 -11.435  -7.174
    9    HA   ALA   2           HA       ALA   2  -3.236 -10.429  -5.864
   10   1HB   ALA   2          1HB       ALA   2  -0.887 -11.741  -4.512
   11   2HB   ALA   2          2HB       ALA   2  -2.106 -12.636  -5.418
   12   3HB   ALA   2          3HB       ALA   2  -2.572 -11.715  -3.987
   13    H    CYS   3           H        CYS   3  -3.459  -8.955  -4.195
   14    HA   CYS   3           HA       CYS   3  -1.268  -7.012  -3.967
   15   1HB   CYS   3          1HB       CYS   3  -3.665  -6.408  -4.788
   16   2HB   CYS   3          2HB       CYS   3  -4.090  -6.485  -3.084
   17    H    TYR   4           H        TYR   4  -0.171  -6.858  -2.117
   18    HA   TYR   4           HA       TYR   4  -1.383  -7.965   0.336
   19   1HB   TYR   4          1HB       TYR   4   1.294  -8.249  -0.836
   20   2HB   TYR   4          2HB       TYR   4   1.308  -7.839   0.869
   21    HD1  TYR   4           1HD      TYR   4  -0.831 -10.083  -1.233
   22    HD2  TYR   4           2HD      TYR   4   1.702  -9.696   2.163
   23    HE1  TYR   4           1HE      TYR   4  -1.244 -12.439  -0.664
   24    HE2  TYR   4           2HE      TYR   4   1.297 -12.049   2.742
   25    HH   TYR   4           HH       TYR   4  -0.531 -13.769   2.306
   26    H    SER   5           H        SER   5  -1.492  -6.719   2.129
   27    HA   SER   5           HA       SER   5  -1.125  -3.911   1.873
   28   1HB   SER   5          1HB       SER   5  -1.896  -3.767   4.167
   29   2HB   SER   5          2HB       SER   5  -2.869  -4.967   3.317
   30    HG   SER   5           HG       SER   5  -1.023  -5.297   5.368
   31    H    SER   6           H        SER   6   0.848  -6.501   3.155
   32    HA   SER   6           HA       SER   6   2.626  -4.803   4.626
   33   1HB   SER   6          1HB       SER   6   2.205  -7.420   4.795
   34   2HB   SER   6          2HB       SER   6   3.517  -7.479   3.619
   35    HG   SER   6           HG       SER   6   3.591  -6.268   6.189
   36    H    ASP   7           H        ASP   7   2.609  -6.227   1.390
   37    HA   ASP   7           HA       ASP   7   5.217  -5.294   0.687
   38   1HB   ASP   7          1HB       ASP   7   3.408  -7.048  -0.436
   39   2HB   ASP   7          2HB       ASP   7   3.308  -5.670  -1.518
   40    H    CYS   8           H        CYS   8   1.912  -4.197   0.155
   41    HA   CYS   8           HA       CYS   8   2.333  -1.950  -1.406
   42   1HB   CYS   8          1HB       CYS   8   0.102  -2.775  -0.814
   43   2HB   CYS   8          2HB       CYS   8   0.362  -2.320   0.859
   44    H    ARG   9           H        ARG   9   2.225  -2.200   2.120
   45    HA   ARG   9           HA       ARG   9   2.800   0.418   2.768
   46   1HB   ARG   9          1HB       ARG   9   2.108  -1.176   4.451
   47   2HB   ARG   9          2HB       ARG   9   3.583  -2.112   4.218
   48   1HG   ARG   9          1HG       ARG   9   4.714   0.182   4.787
   49   2HG   ARG   9          2HG       ARG   9   3.174   0.474   5.593
   50   1HD   ARG   9          1HD       ARG   9   3.671  -1.977   6.529
   51   2HD   ARG   9          2HD       ARG   9   5.331  -1.453   6.246
   52    HE   ARG   9           HE       ARG   9   3.745   0.457   7.703
   53   1HH1  ARG   9          1HH1      ARG   9   5.773  -2.385   7.996
   54   2HH1  ARG   9          2HH1      ARG   9   6.205  -2.058   9.640
   55   1HH2  ARG   9          1HH2      ARG   9   4.316   0.882   9.869
   56   2HH2  ARG   9          2HH2      ARG   9   5.376  -0.203  10.706
   57    H    VAL  10           H        VAL  10   5.097  -2.275   2.237
   58    HA   VAL  10           HA       VAL  10   7.448  -0.880   2.780
   59    HB   VAL  10           HB       VAL  10   7.037  -3.057   0.717
   60   1HG1  VAL  10          1HG1      VAL  10   9.466  -3.481   1.018
   61   2HG1  VAL  10          2HG1      VAL  10   9.566  -2.004   1.979
   62   3HG1  VAL  10          3HG1      VAL  10   9.109  -1.919   0.278
   63   1HG2  VAL  10          1HG2      VAL  10   7.214  -4.616   2.344
   64   2HG2  VAL  10          2HG2      VAL  10   6.589  -3.316   3.354
   65   3HG2  VAL  10          3HG2      VAL  10   8.321  -3.644   3.311
   66    H    LYS  11           H        LYS  11   5.597  -1.129  -0.232
   67    HA   LYS  11           HA       LYS  11   7.376   0.399  -1.819
   68   1HB   LYS  11          1HB       LYS  11   4.404  -0.045  -2.135
   69   2HB   LYS  11          2HB       LYS  11   5.456   0.639  -3.364
   70   1HG   LYS  11          1HG       LYS  11   6.333  -1.966  -2.353
   71   2HG   LYS  11          2HG       LYS  11   4.769  -1.982  -3.168
   72   1HD   LYS  11          1HD       LYS  11   6.145  -2.284  -4.968
   73   2HD   LYS  11          2HD       LYS  11   6.069  -0.521  -4.941
   74   1HE   LYS  11          1HE       LYS  11   8.194  -0.326  -3.988
   75   2HE   LYS  11          2HE       LYS  11   8.207  -2.006  -3.453
   76   1HZ   LYS  11          1HZ       LYS  11   9.503  -1.183  -5.594
   77   2HZ   LYS  11          2HZ       LYS  11   8.022  -1.541  -6.327
   78   3HZ   LYS  11          3HZ       LYS  11   8.857  -2.743  -5.475
   79    H    CYS  12           H        CYS  12   4.823   1.224   0.399
   80    HA   CYS  12           HA       CYS  12   4.672   3.974  -0.439
   81   1HB   CYS  12          1HB       CYS  12   3.578   2.581   2.013
   82   2HB   CYS  12          2HB       CYS  12   3.238   4.251   1.576
   83    H    VAL  13           H        VAL  13   6.267   2.142   2.147
   84    HA   VAL  13           HA       VAL  13   7.229   4.347   3.616
   85    HB   VAL  13           HB       VAL  13   8.379   1.570   3.312
   86   1HG1  VAL  13          1HG1      VAL  13   9.262   3.911   4.889
   87   2HG1  VAL  13          2HG1      VAL  13  10.194   2.563   4.239
   88   3HG1  VAL  13          3HG1      VAL  13   9.259   2.356   5.721
   89   1HG2  VAL  13          1HG2      VAL  13   7.107   0.905   5.110
   90   2HG2  VAL  13          2HG2      VAL  13   6.007   2.029   4.311
   91   3HG2  VAL  13          3HG2      VAL  13   6.923   2.548   5.727
   92    H    ALA  14           H        ALA  14   8.390   2.706   0.740
   93    HA   ALA  14           HA       ALA  14  10.908   4.139   0.697
   94   1HB   ALA  14          1HB       ALA  14  10.625   1.780  -0.112
   95   2HB   ALA  14          2HB       ALA  14  11.424   2.878  -1.238
   96   3HB   ALA  14          3HB       ALA  14   9.736   2.442  -1.484
   97    H    MET  15           H        MET  15   7.705   4.496  -0.661
   98    HA   MET  15           HA       MET  15   8.628   6.477  -2.599
   99   1HB   MET  15          1HB       MET  15   5.962   5.172  -2.079
  100   2HB   MET  15          2HB       MET  15   6.112   6.571  -3.134
  101   1HG   MET  15          1HG       MET  15   7.794   5.277  -4.460
  102   2HG   MET  15          2HG       MET  15   7.369   3.869  -3.489
  103   1HE   MET  15          1HE       MET  15   6.340   2.299  -4.319
  104   2HE   MET  15          2HE       MET  15   5.307   2.230  -5.747
  105   3HE   MET  15          3HE       MET  15   4.594   2.488  -4.156
  106    H    GLY  16           H        GLY  16   8.422   6.735   0.514
  107   1HA   GLY  16          1HA       GLY  16   8.260   8.607   1.857
  108   2HA   GLY  16          2HA       GLY  16   7.732   9.520   0.456
  109    H    PHE  17           H        PHE  17   6.527   6.965   2.640
  110    HA   PHE  17           HA       PHE  17   4.073   8.503   3.013
  111   1HB   PHE  17          1HB       PHE  17   4.130   5.665   1.976
  112   2HB   PHE  17          2HB       PHE  17   2.696   6.413   2.672
  113    HD1  PHE  17           1HD      PHE  17   4.837   6.155  -0.224
  114    HD2  PHE  17           2HD      PHE  17   1.616   8.298   1.529
  115    HE1  PHE  17           1HE      PHE  17   4.262   7.079  -2.431
  116    HE2  PHE  17           2HE      PHE  17   1.028   9.231  -0.673
  117    HZ   PHE  17           HZ       PHE  17   2.354   8.620  -2.659
  118    H    SER  18           H        SER  18   2.656   7.390   4.737
  119    HA   SER  18           HA       SER  18   4.439   6.598   6.903
  120   1HB   SER  18          1HB       SER  18   2.433   8.410   6.890
  121   2HB   SER  18          2HB       SER  18   1.567   6.994   7.484
  122    HG   SER  18           HG       SER  18   3.099   8.589   8.871
  123    H    SER  19           H        SER  19   2.655   5.000   4.657
  124    HA   SER  19           HA       SER  19   2.991   2.458   5.492
  125   1HB   SER  19          1HB       SER  19   0.847   3.712   7.050
  126   2HB   SER  19          2HB       SER  19   0.374   2.197   6.283
  127    HG   SER  19           HG       SER  19   2.307   2.682   8.245
  128    H    GLY  20           H        GLY  20   0.917   0.973   4.739
  129   1HA   GLY  20          1HA       GLY  20  -0.513   2.068   2.497
  130   2HA   GLY  20          2HA       GLY  20   0.826   1.052   2.006
  131    H    LYS  21           H        LYS  21  -1.871   0.491   1.389
  132    HA   LYS  21           HA       LYS  21  -2.117  -2.113   2.650
  133   1HB   LYS  21          1HB       LYS  21  -4.501  -1.842   3.089
  134   2HB   LYS  21          2HB       LYS  21  -3.565  -0.682   3.996
  135   1HG   LYS  21          1HG       LYS  21  -4.084   0.996   2.187
  136   2HG   LYS  21          2HG       LYS  21  -5.222  -0.190   1.547
  137   1HD   LYS  21          1HD       LYS  21  -6.475  -0.161   3.616
  138   2HD   LYS  21          2HD       LYS  21  -5.294   0.925   4.348
  139   1HE   LYS  21          1HE       LYS  21  -5.908   2.394   2.217
  140   2HE   LYS  21          2HE       LYS  21  -7.412   1.484   2.344
  141   1HZ   LYS  21          1HZ       LYS  21  -6.365   2.692   4.792
  142   2HZ   LYS  21          2HZ       LYS  21  -7.965   2.490   4.284
  143   3HZ   LYS  21          3HZ       LYS  21  -7.025   3.736   3.635
  144    H    CYS  22           H        CYS  22  -4.239  -3.103   1.634
  145    HA   CYS  22           HA       CYS  22  -4.222  -2.550  -1.250
  146   1HB   CYS  22          1HB       CYS  22  -3.733  -5.129   0.168
  147   2HB   CYS  22          2HB       CYS  22  -4.538  -5.156  -1.400
  148    H    ILE  23           H        ILE  23  -6.165  -2.313  -2.104
  149    HA   ILE  23           HA       ILE  23  -8.502  -2.999  -0.492
  150    HB   ILE  23           HB       ILE  23  -8.062  -0.652  -1.413
  151   1HG1  ILE  23          1HG1      ILE  23 -10.648  -0.815  -2.390
  152   2HG1  ILE  23          2HG1      ILE  23 -10.526  -2.194  -1.304
  153   1HG2  ILE  23          1HG2      ILE  23  -7.922  -0.234  -3.582
  154   2HG2  ILE  23          2HG2      ILE  23  -9.381  -1.158  -3.933
  155   3HG2  ILE  23          3HG2      ILE  23  -7.822  -1.975  -3.831
  156   1HD1  ILE  23          1HD1      ILE  23 -10.988  -0.785   0.341
  157   2HD1  ILE  23          2HD1      ILE  23 -10.750   0.620  -0.701
  158   3HD1  ILE  23          3HD1      ILE  23  -9.371  -0.118   0.110
  159    H    ASN  24           H        ASN  24 -10.097  -2.893  -3.173
  160    HA   ASN  24           HA       ASN  24 -10.626  -5.469  -3.585
  161   1HB   ASN  24          1HB       ASN  24 -11.020  -3.064  -5.073
  162   2HB   ASN  24          2HB       ASN  24 -10.582  -4.348  -6.191
  163   1HD2  ASN  24          1HD2      ASN  24 -13.135  -2.823  -5.210
  164   2HD2  ASN  24          2HD2      ASN  24 -14.305  -4.090  -5.122
  165    H    SER  25           H        SER  25  -8.047  -3.672  -5.172
  166    HA   SER  25           HA       SER  25  -6.234  -5.770  -5.249
  167   1HB   SER  25          1HB       SER  25  -8.165  -5.814  -7.406
  168   2HB   SER  25          2HB       SER  25  -6.533  -5.600  -8.038
  169    HG   SER  25           HG       SER  25  -7.466  -7.671  -6.335
  170    H    LYS  26           H        LYS  26  -6.328  -2.998  -4.638
  171    HA   LYS  26           HA       LYS  26  -4.140  -2.079  -6.350
  172   1HB   LYS  26          1HB       LYS  26  -6.730  -0.634  -5.886
  173   2HB   LYS  26          2HB       LYS  26  -5.252   0.272  -6.178
  174   1HG   LYS  26          1HG       LYS  26  -5.179  -1.539  -8.204
  175   2HG   LYS  26          2HG       LYS  26  -6.915  -1.269  -8.029
  176   1HD   LYS  26          1HD       LYS  26  -6.670   1.070  -8.376
  177   2HD   LYS  26          2HD       LYS  26  -4.913   0.971  -8.247
  178   1HE   LYS  26          1HE       LYS  26  -6.538  -0.357 -10.413
  179   2HE   LYS  26          2HE       LYS  26  -5.766   1.216 -10.582
  180   1HZ   LYS  26          1HZ       LYS  26  -3.621   0.110 -10.108
  181   2HZ   LYS  26          2HZ       LYS  26  -4.354  -0.444 -11.528
  182   3HZ   LYS  26          3HZ       LYS  26  -4.409  -1.387 -10.125
  183    H    CYS  27           H        CYS  27  -2.486  -1.542  -5.120
  184    HA   CYS  27           HA       CYS  27  -2.596  -1.309  -2.325
  185   1HB   CYS  27          1HB       CYS  27  -0.585  -2.110  -3.150
  186   2HB   CYS  27          2HB       CYS  27  -0.525  -0.933  -4.443
  187    H    LYS  28           H        LYS  28  -2.774   0.340  -1.077
  188    HA   LYS  28           HA       LYS  28  -2.809   3.064  -2.198
  189   1HB   LYS  28          1HB       LYS  28  -5.065   2.420  -1.602
  190   2HB   LYS  28          2HB       LYS  28  -4.535   1.885  -0.015
  191   1HG   LYS  28          1HG       LYS  28  -4.587   3.953   0.839
  192   2HG   LYS  28          2HG       LYS  28  -3.918   4.685  -0.620
  193   1HD   LYS  28          1HD       LYS  28  -6.611   3.647  -1.011
  194   2HD   LYS  28          2HD       LYS  28  -6.531   4.878   0.249
  195   1HE   LYS  28          1HE       LYS  28  -5.587   6.468  -1.248
  196   2HE   LYS  28          2HE       LYS  28  -5.315   5.237  -2.482
  197   1HZ   LYS  28          1HZ       LYS  28  -7.454   5.310  -3.154
  198   2HZ   LYS  28          2HZ       LYS  28  -7.394   6.871  -2.506
  199   3HZ   LYS  28          3HZ       LYS  28  -8.069   5.610  -1.604
  200    H    CYS  29           H        CYS  29  -1.908   4.702  -0.902
  201    HA   CYS  29           HA       CYS  29  -0.107   3.664   1.167
  202   1HB   CYS  29          1HB       CYS  29   0.090   6.080  -0.618
  203   2HB   CYS  29          2HB       CYS  29   1.141   5.834   0.773
  204    H    TYR  30           H        TYR  30   0.229   4.776   3.075
  205    HA   TYR  30           HA       TYR  30  -2.122   6.221   4.035
  206   1HB   TYR  30          1HB       TYR  30   0.226   4.988   5.497
  207   2HB   TYR  30          2HB       TYR  30  -1.076   5.859   6.290
  208    HD1  TYR  30           1HD      TYR  30  -2.209   3.903   3.490
  209    HD2  TYR  30           2HD      TYR  30  -1.205   3.699   7.618
  210    HE1  TYR  30           1HE      TYR  30  -3.487   1.821   3.691
  211    HE2  TYR  30           2HE      TYR  30  -2.486   1.617   7.832
  212    HH   TYR  30           HH       TYR  30  -3.198  -0.288   6.171
  213    H    LYS  31           H        LYS  31  -1.101   7.956   2.493
  214    HA   LYS  31           HA       LYS  31   1.135   9.441   3.315
  215   1HB   LYS  31          1HB       LYS  31   0.013  11.321   1.972
  216   2HB   LYS  31          2HB       LYS  31   0.443   9.848   1.119
  217   1HG   LYS  31          1HG       LYS  31  -1.731   9.224   0.797
  218   2HG   LYS  31          2HG       LYS  31  -2.306  10.080   2.230
  219   1HD   LYS  31          1HD       LYS  31  -3.133  11.346   0.450
  220   2HD   LYS  31          2HD       LYS  31  -1.688  12.223   0.955
  221   1HE   LYS  31          1HE       LYS  31  -0.849  12.039  -1.092
  222   2HE   LYS  31          2HE       LYS  31  -0.907  10.283  -0.966
  223   1HZ   LYS  31          1HZ       LYS  31  -2.965  12.104  -2.068
  224   2HZ   LYS  31          2HZ       LYS  31  -3.320  10.504  -1.646
  225   3HZ   LYS  31          3HZ       LYS  31  -2.171  10.828  -2.844
  Start of MODEL   20
    1   1H    ALA   1          1H        ALA   1   0.372 -11.273  -8.551
    2   2H    ALA   1          2H        ALA   1   0.510  -9.574  -8.346
    3   3H    ALA   1          3H        ALA   1   0.495 -10.252  -9.923
    4    HA   ALA   1           HA       ALA   1  -1.586  -9.373  -9.626
    5   1HB   ALA   1          1HB       ALA   1  -1.607 -12.336  -9.079
    6   2HB   ALA   1          2HB       ALA   1  -1.694 -11.526 -10.644
    7   3HB   ALA   1          3HB       ALA   1  -3.041 -11.403  -9.511
    8    H    ALA   2           H        ALA   2  -0.857 -11.474  -6.828
    9    HA   ALA   2           HA       ALA   2  -3.057 -10.524  -5.283
   10   1HB   ALA   2          1HB       ALA   2  -2.170 -11.825  -3.490
   11   2HB   ALA   2          2HB       ALA   2  -0.583 -11.902  -4.258
   12   3HB   ALA   2          3HB       ALA   2  -1.953 -12.745  -4.980
   13    H    CYS   3           H        CYS   3  -3.225  -8.587  -4.380
   14    HA   CYS   3           HA       CYS   3  -0.879  -6.934  -3.967
   15   1HB   CYS   3          1HB       CYS   3  -3.219  -6.185  -4.848
   16   2HB   CYS   3          2HB       CYS   3  -3.660  -6.153  -3.146
   17    H    TYR   4           H        TYR   4   0.288  -7.238  -2.175
   18    HA   TYR   4           HA       TYR   4  -1.052  -8.065   0.297
   19   1HB   TYR   4          1HB       TYR   4   1.681  -8.327  -0.780
   20   2HB   TYR   4          2HB       TYR   4   1.599  -7.961   0.934
   21    HD1  TYR   4           1HD      TYR   4   0.422 -10.376  -1.633
   22    HD2  TYR   4           2HD      TYR   4   1.099  -9.624   2.500
   23    HE1  TYR   4           1HE      TYR   4  -0.010 -12.745  -1.137
   24    HE2  TYR   4           2HE      TYR   4   0.671 -11.988   3.009
   25    HH   TYR   4           HH       TYR   4  -0.867 -14.035   1.100
   26    H    SER   5           H        SER   5  -1.677  -6.516   1.649
   27    HA   SER   5           HA       SER   5  -0.954  -3.819   1.392
   28   1HB   SER   5          1HB       SER   5  -2.051  -5.226   3.844
   29   2HB   SER   5          2HB       SER   5  -2.063  -3.485   3.564
   30    HG   SER   5           HG       SER   5  -3.566  -5.506   2.315
   31    H    SER   6           H        SER   6   0.650  -6.429   3.030
   32    HA   SER   6           HA       SER   6   2.216  -4.721   4.750
   33   1HB   SER   6          1HB       SER   6   1.632  -7.193   5.176
   34   2HB   SER   6          2HB       SER   6   2.897  -7.570   4.009
   35    HG   SER   6           HG       SER   6   4.376  -6.486   5.347
   36    H    ASP   7           H        ASP   7   2.632  -6.407   1.686
   37    HA   ASP   7           HA       ASP   7   5.362  -5.592   1.321
   38   1HB   ASP   7          1HB       ASP   7   3.747  -7.515   0.194
   39   2HB   ASP   7          2HB       ASP   7   3.809  -6.309  -1.082
   40    H    CYS   8           H        CYS   8   2.214  -4.602   0.085
   41    HA   CYS   8           HA       CYS   8   3.146  -2.573  -1.615
   42   1HB   CYS   8          1HB       CYS   8   0.819  -3.823  -1.255
   43   2HB   CYS   8          2HB       CYS   8   0.488  -2.379  -0.326
   44    H    ARG   9           H        ARG   9   2.334  -2.719   1.800
   45    HA   ARG   9           HA       ARG   9   2.238   0.025   2.367
   46   1HB   ARG   9          1HB       ARG   9   1.524  -1.349   4.121
   47   2HB   ARG   9          2HB       ARG   9   2.919  -2.411   3.986
   48   1HG   ARG   9          1HG       ARG   9   4.158  -1.164   5.356
   49   2HG   ARG   9          2HG       ARG   9   3.576   0.352   4.666
   50   1HD   ARG   9          1HD       ARG   9   2.669   0.483   6.767
   51   2HD   ARG   9          2HD       ARG   9   1.355  -0.319   5.904
   52    HE   ARG   9           HE       ARG   9   2.934  -2.341   6.895
   53   1HH1  ARG   9          1HH1      ARG   9   1.122   0.333   8.243
   54   2HH1  ARG   9          2HH1      ARG   9   0.800  -0.478   9.740
   55   1HH2  ARG   9          1HH2      ARG   9   2.508  -3.409   8.866
   56   2HH2  ARG   9          2HH2      ARG   9   1.589  -2.605  10.094
   57    H    VAL  10           H        VAL  10   4.937  -2.311   2.291
   58    HA   VAL  10           HA       VAL  10   6.960  -0.531   3.105
   59    HB   VAL  10           HB       VAL  10   7.221  -2.870   1.201
   60   1HG1  VAL  10          1HG1      VAL  10   9.116  -0.975   1.802
   61   2HG1  VAL  10          2HG1      VAL  10   9.444  -2.608   1.229
   62   3HG1  VAL  10          3HG1      VAL  10   9.471  -2.259   2.957
   63   1HG2  VAL  10          1HG2      VAL  10   7.309  -4.312   2.953
   64   2HG2  VAL  10          2HG2      VAL  10   6.243  -3.101   3.667
   65   3HG2  VAL  10          3HG2      VAL  10   7.962  -3.105   4.061
   66    H    LYS  11           H        LYS  11   5.442  -1.131  -0.007
   67    HA   LYS  11           HA       LYS  11   7.252   0.352  -1.590
   68   1HB   LYS  11          1HB       LYS  11   4.315  -0.127  -2.107
   69   2HB   LYS  11          2HB       LYS  11   5.518   0.340  -3.298
   70   1HG   LYS  11          1HG       LYS  11   6.697  -1.861  -2.645
   71   2HG   LYS  11          2HG       LYS  11   5.139  -2.295  -1.937
   72   1HD   LYS  11          1HD       LYS  11   4.050  -1.917  -4.096
   73   2HD   LYS  11          2HD       LYS  11   5.606  -1.475  -4.804
   74   1HE   LYS  11          1HE       LYS  11   5.061  -4.147  -3.521
   75   2HE   LYS  11          2HE       LYS  11   4.834  -3.835  -5.241
   76   1HZ   LYS  11          1HZ       LYS  11   7.312  -4.048  -3.700
   77   2HZ   LYS  11          2HZ       LYS  11   7.294  -2.969  -5.004
   78   3HZ   LYS  11          3HZ       LYS  11   6.957  -4.606  -5.258
   79    H    CYS  12           H        CYS  12   4.480   1.242   0.360
   80    HA   CYS  12           HA       CYS  12   4.370   3.934  -0.669
   81   1HB   CYS  12          1HB       CYS  12   3.093   2.657   1.754
   82   2HB   CYS  12          2HB       CYS  12   2.873   4.349   1.325
   83    H    VAL  13           H        VAL  13   5.631   2.346   2.252
   84    HA   VAL  13           HA       VAL  13   6.554   4.639   3.567
   85    HB   VAL  13           HB       VAL  13   7.626   1.819   3.630
   86   1HG1  VAL  13          1HG1      VAL  13   8.202   4.137   5.476
   87   2HG1  VAL  13          2HG1      VAL  13   9.350   3.316   4.418
   88   3HG1  VAL  13          3HG1      VAL  13   8.650   2.460   5.791
   89   1HG2  VAL  13          1HG2      VAL  13   5.196   2.534   4.398
   90   2HG2  VAL  13          2HG2      VAL  13   6.065   3.025   5.852
   91   3HG2  VAL  13          3HG2      VAL  13   6.145   1.352   5.299
   92    H    ALA  14           H        ALA  14   7.946   2.721   0.980
   93    HA   ALA  14           HA       ALA  14  10.484   4.121   1.063
   94   1HB   ALA  14          1HB       ALA  14   9.777   2.420  -1.246
   95   2HB   ALA  14          2HB       ALA  14   9.901   1.632   0.327
   96   3HB   ALA  14          3HB       ALA  14  11.277   2.521  -0.327
   97    H    MET  15           H        MET  15   7.430   4.467  -0.540
   98    HA   MET  15           HA       MET  15   8.571   6.148  -2.638
   99   1HB   MET  15          1HB       MET  15   5.801   5.077  -2.134
  100   2HB   MET  15          2HB       MET  15   6.112   6.317  -3.341
  101   1HG   MET  15          1HG       MET  15   7.608   3.725  -3.346
  102   2HG   MET  15          2HG       MET  15   6.023   3.880  -4.100
  103   1HE   MET  15          1HE       MET  15   6.719   3.282  -6.499
  104   2HE   MET  15          2HE       MET  15   8.317   2.867  -5.878
  105   3HE   MET  15          3HE       MET  15   8.163   3.898  -7.300
  106    H    GLY  16           H        GLY  16   8.260   6.782   0.392
  107   1HA   GLY  16          1HA       GLY  16   8.285   8.913   1.360
  108   2HA   GLY  16          2HA       GLY  16   7.488   9.553  -0.067
  109    H    PHE  17           H        PHE  17   6.599   6.980   2.246
  110    HA   PHE  17           HA       PHE  17   4.314   8.568   3.130
  111   1HB   PHE  17          1HB       PHE  17   4.026   5.804   1.924
  112   2HB   PHE  17          2HB       PHE  17   2.748   6.668   2.771
  113    HD1  PHE  17           1HD      PHE  17   1.674   8.581   1.769
  114    HD2  PHE  17           2HD      PHE  17   4.674   6.411  -0.308
  115    HE1  PHE  17           1HE      PHE  17   0.974   9.647  -0.335
  116    HE2  PHE  17           2HE      PHE  17   3.989   7.470  -2.421
  117    HZ   PHE  17           HZ       PHE  17   2.135   9.093  -2.436
  118    H    SER  18           H        SER  18   3.044   7.138   4.851
  119    HA   SER  18           HA       SER  18   5.092   5.980   6.617
  120   1HB   SER  18          1HB       SER  18   3.727   8.118   7.256
  121   2HB   SER  18          2HB       SER  18   2.452   6.962   7.639
  122    HG   SER  18           HG       SER  18   4.360   7.661   9.212
  123    H    SER  19           H        SER  19   2.745   4.956   4.608
  124    HA   SER  19           HA       SER  19   2.690   2.331   5.510
  125   1HB   SER  19          1HB       SER  19   0.761   4.035   6.874
  126   2HB   SER  19          2HB       SER  19  -0.039   2.721   6.000
  127    HG   SER  19           HG       SER  19   1.985   2.532   7.984
  128    H    GLY  20           H        GLY  20   0.748   1.086   4.504
  129   1HA   GLY  20          1HA       GLY  20  -0.579   2.273   2.282
  130   2HA   GLY  20          2HA       GLY  20   0.810   1.334   1.764
  131    H    LYS  21           H        LYS  21  -2.092   0.877   1.317
  132    HA   LYS  21           HA       LYS  21  -2.229  -1.805   2.510
  133   1HB   LYS  21          1HB       LYS  21  -4.504   0.125   2.076
  134   2HB   LYS  21          2HB       LYS  21  -4.703  -1.560   2.540
  135   1HG   LYS  21          1HG       LYS  21  -3.020   0.285   4.153
  136   2HG   LYS  21          2HG       LYS  21  -4.773   0.252   4.337
  137   1HD   LYS  21          1HD       LYS  21  -3.086  -2.228   4.524
  138   2HD   LYS  21          2HD       LYS  21  -3.415  -1.206   5.923
  139   1HE   LYS  21          1HE       LYS  21  -5.444  -2.087   6.175
  140   2HE   LYS  21          2HE       LYS  21  -5.848  -1.765   4.491
  141   1HZ   LYS  21          1HZ       LYS  21  -4.410  -3.857   4.059
  142   2HZ   LYS  21          2HZ       LYS  21  -5.997  -4.042   4.609
  143   3HZ   LYS  21          3HZ       LYS  21  -4.708  -4.199   5.691
  144    H    CYS  22           H        CYS  22  -4.047  -3.028   1.414
  145    HA   CYS  22           HA       CYS  22  -4.044  -2.686  -1.492
  146   1HB   CYS  22          1HB       CYS  22  -3.039  -5.005   0.091
  147   2HB   CYS  22          2HB       CYS  22  -3.810  -5.312  -1.463
  148    H    ILE  23           H        ILE  23  -6.021  -2.957  -2.326
  149    HA   ILE  23           HA       ILE  23  -8.077  -4.231  -0.674
  150    HB   ILE  23           HB       ILE  23  -8.151  -1.727  -1.240
  151   1HG1  ILE  23          1HG1      ILE  23 -10.742  -2.298  -2.060
  152   2HG1  ILE  23          2HG1      ILE  23 -10.241  -3.725  -1.158
  153   1HG2  ILE  23          1HG2      ILE  23  -7.592  -2.115  -3.661
  154   2HG2  ILE  23          2HG2      ILE  23  -8.919  -1.005  -3.329
  155   3HG2  ILE  23          3HG2      ILE  23  -9.260  -2.647  -3.871
  156   1HD1  ILE  23          1HD1      ILE  23 -10.925  -1.080  -0.212
  157   2HD1  ILE  23          2HD1      ILE  23  -9.369  -1.638   0.405
  158   3HD1  ILE  23          3HD1      ILE  23 -10.819  -2.608   0.665
  159    H    ASN  24           H        ASN  24  -9.941  -4.227  -3.022
  160    HA   ASN  24           HA       ASN  24  -9.847  -6.722  -3.928
  161   1HB   ASN  24          1HB       ASN  24 -11.075  -4.291  -4.785
  162   2HB   ASN  24          2HB       ASN  24 -10.545  -5.185  -6.203
  163   1HD2  ASN  24          1HD2      ASN  24 -12.483  -5.365  -3.281
  164   2HD2  ASN  24          2HD2      ASN  24 -13.539  -6.615  -3.833
  165    H    SER  25           H        SER  25  -8.137  -4.006  -5.386
  166    HA   SER  25           HA       SER  25  -5.935  -5.500  -6.232
  167   1HB   SER  25          1HB       SER  25  -7.855  -6.150  -7.908
  168   2HB   SER  25          2HB       SER  25  -7.501  -4.578  -8.619
  169    HG   SER  25           HG       SER  25  -5.406  -5.248  -9.006
  170    H    LYS  26           H        LYS  26  -6.477  -3.131  -4.830
  171    HA   LYS  26           HA       LYS  26  -4.944  -1.219  -6.420
  172   1HB   LYS  26          1HB       LYS  26  -7.626  -0.743  -5.169
  173   2HB   LYS  26          2HB       LYS  26  -6.468   0.577  -5.270
  174   1HG   LYS  26          1HG       LYS  26  -6.682  -0.771  -7.800
  175   2HG   LYS  26          2HG       LYS  26  -8.271  -0.257  -7.227
  176   1HD   LYS  26          1HD       LYS  26  -7.007   1.986  -6.709
  177   2HD   LYS  26          2HD       LYS  26  -5.874   1.383  -7.920
  178   1HE   LYS  26          1HE       LYS  26  -8.793   1.354  -8.531
  179   2HE   LYS  26          2HE       LYS  26  -7.927   2.887  -8.599
  180   1HZ   LYS  26          1HZ       LYS  26  -8.110   1.249 -10.663
  181   2HZ   LYS  26          2HZ       LYS  26  -6.692   0.633  -9.976
  182   3HZ   LYS  26          3HZ       LYS  26  -6.779   2.263 -10.422
  183    H    CYS  27           H        CYS  27  -3.683   0.193  -5.188
  184    HA   CYS  27           HA       CYS  27  -3.341  -0.586  -2.382
  185   1HB   CYS  27          1HB       CYS  27  -1.533  -1.085  -4.118
  186   2HB   CYS  27          2HB       CYS  27  -1.232   0.641  -4.128
  187    H    LYS  28           H        LYS  28  -3.384   0.902  -0.867
  188    HA   LYS  28           HA       LYS  28  -3.588   3.724  -1.699
  189   1HB   LYS  28          1HB       LYS  28  -5.631   2.943  -0.637
  190   2HB   LYS  28          2HB       LYS  28  -4.723   2.340   0.738
  191   1HG   LYS  28          1HG       LYS  28  -5.256   4.275   1.702
  192   2HG   LYS  28          2HG       LYS  28  -3.997   4.972   0.684
  193   1HD   LYS  28          1HD       LYS  28  -5.650   5.529  -1.015
  194   2HD   LYS  28          2HD       LYS  28  -6.919   4.776  -0.046
  195   1HE   LYS  28          1HE       LYS  28  -5.298   6.880   1.266
  196   2HE   LYS  28          2HE       LYS  28  -6.407   7.404  -0.002
  197   1HZ   LYS  28          1HZ       LYS  28  -8.239   6.679   1.188
  198   2HZ   LYS  28          2HZ       LYS  28  -7.246   7.303   2.408
  199   3HZ   LYS  28          3HZ       LYS  28  -7.337   5.630   2.167
  200    H    CYS  29           H        CYS  29  -2.348   5.233  -0.608
  201    HA   CYS  29           HA       CYS  29  -0.237   4.083   1.091
  202   1HB   CYS  29          1HB       CYS  29  -0.145   6.388  -0.842
  203   2HB   CYS  29          2HB       CYS  29   1.053   6.204   0.435
  204    H    TYR  30           H        TYR  30   0.325   5.060   2.964
  205    HA   TYR  30           HA       TYR  30  -1.521   7.128   3.937
  206   1HB   TYR  30          1HB       TYR  30  -0.251   4.818   5.393
  207   2HB   TYR  30          2HB       TYR  30  -1.103   6.136   6.201
  208    HD1  TYR  30           1HD      TYR  30  -1.457   2.941   4.774
  209    HD2  TYR  30           2HD      TYR  30  -3.477   6.647   5.265
  210    HE1  TYR  30           1HE      TYR  30  -3.583   1.821   4.387
  211    HE2  TYR  30           2HE      TYR  30  -5.637   5.524   4.879
  212    HH   TYR  30           HH       TYR  30  -5.899   2.450   3.579
  213    H    LYS  31           H        LYS  31  -0.048   8.643   3.108
  214    HA   LYS  31           HA       LYS  31   2.569   9.113   3.568
  215   1HB   LYS  31          1HB       LYS  31   0.324  10.715   2.923
  216   2HB   LYS  31          2HB       LYS  31   1.217  11.563   4.177
  217   1HG   LYS  31          1HG       LYS  31   2.692  10.446   1.850
  218   2HG   LYS  31          2HG       LYS  31   1.772  11.939   1.660
  219   1HD   LYS  31          1HD       LYS  31   3.092  12.459   3.960
  220   2HD   LYS  31          2HD       LYS  31   4.262  11.415   3.152
  221   1HE   LYS  31          1HE       LYS  31   4.941  13.319   2.174
  222   2HE   LYS  31          2HE       LYS  31   3.553  13.059   1.117
  223   1HZ   LYS  31          1HZ       LYS  31   3.204  14.558   3.629
  224   2HZ   LYS  31          2HZ       LYS  31   2.327  14.664   2.185
  225   3HZ   LYS  31          3HZ       LYS  31   3.878  15.332   2.282
  Start of MODEL   21
    1   1H    ALA   1          1H        ALA   1  -0.123  -9.452  -8.863
    2   2H    ALA   1          2H        ALA   1  -0.242 -10.030 -10.474
    3   3H    ALA   1          3H        ALA   1  -0.267 -11.134  -9.161
    4    HA   ALA   1           HA       ALA   1  -2.307  -9.213 -10.018
    5   1HB   ALA   1          1HB       ALA   1  -2.048 -12.164  -9.847
    6   2HB   ALA   1          2HB       ALA   1  -2.830 -11.160 -11.068
    7   3HB   ALA   1          3HB       ALA   1  -3.633 -11.460  -9.527
    8    H    ALA   2           H        ALA   2  -1.302 -11.298  -7.302
    9    HA   ALA   2           HA       ALA   2  -3.419 -10.427  -5.591
   10   1HB   ALA   2          1HB       ALA   2  -2.141 -11.611  -3.816
   11   2HB   ALA   2          2HB       ALA   2  -0.864 -11.914  -4.996
   12   3HB   ALA   2          3HB       ALA   2  -2.471 -12.601  -5.238
   13    H    CYS   3           H        CYS   3  -3.424  -8.917  -3.984
   14    HA   CYS   3           HA       CYS   3  -1.113  -7.090  -3.901
   15   1HB   CYS   3          1HB       CYS   3  -3.438  -6.299  -4.740
   16   2HB   CYS   3          2HB       CYS   3  -3.903  -6.346  -3.044
   17    H    TYR   4           H        TYR   4   0.006  -7.001  -2.061
   18    HA   TYR   4           HA       TYR   4  -1.248  -8.033   0.399
   19   1HB   TYR   4          1HB       TYR   4   1.434  -8.320  -0.762
   20   2HB   TYR   4          2HB       TYR   4   1.438  -7.926   0.948
   21    HD1  TYR   4           1HD      TYR   4   1.710  -9.765   2.293
   22    HD2  TYR   4           2HD      TYR   4  -0.605 -10.166  -1.256
   23    HE1  TYR   4           1HE      TYR   4   1.277 -12.118   2.849
   24    HE2  TYR   4           2HE      TYR   4  -1.046 -12.521  -0.708
   25    HH   TYR   4           HH       TYR   4  -1.046 -13.869   1.763
   26    H    SER   5           H        SER   5  -1.396  -6.772   2.170
   27    HA   SER   5           HA       SER   5  -1.026  -3.972   1.928
   28   1HB   SER   5          1HB       SER   5  -1.957  -5.823   4.053
   29   2HB   SER   5          2HB       SER   5  -1.367  -4.248   4.582
   30    HG   SER   5           HG       SER   5  -3.354  -3.696   4.106
   31    H    SER   6           H        SER   6   0.982  -6.539   3.195
   32    HA   SER   6           HA       SER   6   2.745  -4.827   4.666
   33   1HB   SER   6          1HB       SER   6   2.618  -7.703   3.998
   34   2HB   SER   6          2HB       SER   6   4.251  -7.057   4.155
   35    HG   SER   6           HG       SER   6   2.188  -6.782   6.090
   36    H    ASP   7           H        ASP   7   2.732  -6.244   1.428
   37    HA   ASP   7           HA       ASP   7   5.308  -5.253   0.691
   38   1HB   ASP   7          1HB       ASP   7   3.538  -7.045  -0.415
   39   2HB   ASP   7          2HB       ASP   7   3.354  -5.660  -1.476
   40    H    CYS   8           H        CYS   8   1.978  -4.223   0.187
   41    HA   CYS   8           HA       CYS   8   2.335  -1.954  -1.362
   42   1HB   CYS   8          1HB       CYS   8   0.131  -2.840  -0.756
   43   2HB   CYS   8          2HB       CYS   8   0.392  -2.384   0.917
   44    H    ARG   9           H        ARG   9   2.262  -2.221   2.166
   45    HA   ARG   9           HA       ARG   9   2.798   0.416   2.801
   46   1HB   ARG   9          1HB       ARG   9   2.114  -1.166   4.494
   47   2HB   ARG   9          2HB       ARG   9   3.589  -2.103   4.269
   48   1HG   ARG   9          1HG       ARG   9   4.724   0.189   4.834
   49   2HG   ARG   9          2HG       ARG   9   3.181   0.497   5.624
   50   1HD   ARG   9          1HD       ARG   9   3.525  -1.082   7.229
   51   2HD   ARG   9          2HD       ARG   9   4.479  -2.110   6.163
   52    HE   ARG   9           HE       ARG   9   6.375  -1.034   6.866
   53   1HH1  ARG   9          1HH1      ARG   9   3.592   0.872   7.829
   54   2HH1  ARG   9          2HH1      ARG   9   4.517   1.938   8.832
   55   1HH2  ARG   9          1HH2      ARG   9   7.587   0.383   8.184
   56   2HH2  ARG   9          2HH2      ARG   9   6.784   1.661   9.034
   57    H    VAL  10           H        VAL  10   5.125  -2.266   2.298
   58    HA   VAL  10           HA       VAL  10   7.456  -0.840   2.850
   59    HB   VAL  10           HB       VAL  10   7.087  -3.037   0.798
   60   1HG1  VAL  10          1HG1      VAL  10   9.625  -2.091   2.131
   61   2HG1  VAL  10          2HG1      VAL  10   9.161  -1.751   0.463
   62   3HG1  VAL  10          3HG1      VAL  10   9.476  -3.411   0.969
   63   1HG2  VAL  10          1HG2      VAL  10   7.215  -4.572   2.436
   64   2HG2  VAL  10          2HG2      VAL  10   6.653  -3.254   3.462
   65   3HG2  VAL  10          3HG2      VAL  10   8.373  -3.633   3.376
   66    H    LYS  11           H        LYS  11   5.633  -1.135  -0.175
   67    HA   LYS  11           HA       LYS  11   7.405   0.402  -1.759
   68   1HB   LYS  11          1HB       LYS  11   4.441  -0.079  -2.088
   69   2HB   LYS  11          2HB       LYS  11   5.490   0.616  -3.316
   70   1HG   LYS  11          1HG       LYS  11   6.839  -1.578  -3.062
   71   2HG   LYS  11          2HG       LYS  11   5.368  -2.194  -2.308
   72   1HD   LYS  11          1HD       LYS  11   4.270  -2.299  -4.263
   73   2HD   LYS  11          2HD       LYS  11   4.905  -0.746  -4.809
   74   1HE   LYS  11          1HE       LYS  11   6.575  -3.246  -4.754
   75   2HE   LYS  11          2HE       LYS  11   5.579  -2.808  -6.141
   76   1HZ   LYS  11          1HZ       LYS  11   7.944  -2.080  -6.276
   77   2HZ   LYS  11          2HZ       LYS  11   7.650  -1.019  -4.992
   78   3HZ   LYS  11          3HZ       LYS  11   6.821  -0.827  -6.454
   79    H    CYS  12           H        CYS  12   4.831   1.216   0.440
   80    HA   CYS  12           HA       CYS  12   4.663   3.965  -0.419
   81   1HB   CYS  12          1HB       CYS  12   3.525   2.553   2.000
   82   2HB   CYS  12          2HB       CYS  12   3.210   4.234   1.597
   83    H    VAL  13           H        VAL  13   6.207   2.164   2.230
   84    HA   VAL  13           HA       VAL  13   7.113   4.391   3.701
   85    HB   VAL  13           HB       VAL  13   8.293   1.622   3.455
   86   1HG1  VAL  13          1HG1      VAL  13   9.131   3.989   5.017
   87   2HG1  VAL  13          2HG1      VAL  13  10.084   2.638   4.406
   88   3HG1  VAL  13          3HG1      VAL  13   9.123   2.446   5.871
   89   1HG2  VAL  13          1HG2      VAL  13   5.905   2.035   4.387
   90   2HG2  VAL  13          2HG2      VAL  13   6.754   2.648   5.806
   91   3HG2  VAL  13          3HG2      VAL  13   7.012   0.988   5.274
   92    H    ALA  14           H        ALA  14   8.396   2.732   0.886
   93    HA   ALA  14           HA       ALA  14  10.875   4.244   0.916
   94   1HB   ALA  14          1HB       ALA  14  11.664   2.760  -0.597
   95   2HB   ALA  14          2HB       ALA  14  10.125   2.643  -1.449
   96   3HB   ALA  14          3HB       ALA  14  10.363   1.771   0.066
   97    H    MET  15           H        MET  15   7.721   4.482  -0.541
   98    HA   MET  15           HA       MET  15   8.668   6.365  -2.566
   99   1HB   MET  15          1HB       MET  15   5.982   5.106  -2.029
  100   2HB   MET  15          2HB       MET  15   6.185   6.415  -3.185
  101   1HG   MET  15          1HG       MET  15   7.855   3.945  -3.378
  102   2HG   MET  15          2HG       MET  15   6.213   3.976  -4.016
  103   1HE   MET  15          1HE       MET  15   9.251   3.633  -5.709
  104   2HE   MET  15          2HE       MET  15   8.493   4.212  -7.192
  105   3HE   MET  15          3HE       MET  15   7.607   3.137  -6.111
  106    H    GLY  16           H        GLY  16   8.386   6.776   0.528
  107   1HA   GLY  16          1HA       GLY  16   8.214   8.737   1.749
  108   2HA   GLY  16          2HA       GLY  16   7.649   9.552   0.301
  109    H    PHE  17           H        PHE  17   6.495   7.002   2.519
  110    HA   PHE  17           HA       PHE  17   4.034   8.515   2.937
  111   1HB   PHE  17          1HB       PHE  17   4.081   5.672   1.911
  112   2HB   PHE  17          2HB       PHE  17   2.650   6.464   2.559
  113    HD1  PHE  17           1HD      PHE  17   4.923   6.203  -0.265
  114    HD2  PHE  17           2HD      PHE  17   1.557   8.239   1.336
  115    HE1  PHE  17           1HE      PHE  17   4.409   7.095  -2.503
  116    HE2  PHE  17           2HE      PHE  17   1.031   9.138  -0.895
  117    HZ   PHE  17           HZ       PHE  17   2.460   8.565  -2.819
  118    H    SER  18           H        SER  18   2.673   7.466   4.697
  119    HA   SER  18           HA       SER  18   4.490   6.610   6.807
  120   1HB   SER  18          1HB       SER  18   1.567   7.280   7.132
  121   2HB   SER  18          2HB       SER  18   2.816   7.250   8.374
  122    HG   SER  18           HG       SER  18   2.937   9.305   7.937
  123    H    SER  19           H        SER  19   2.653   5.035   4.592
  124    HA   SER  19           HA       SER  19   2.999   2.486   5.410
  125   1HB   SER  19          1HB       SER  19   1.003   3.721   7.100
  126   2HB   SER  19          2HB       SER  19   0.322   2.361   6.211
  127    HG   SER  19           HG       SER  19   1.220   1.277   7.791
  128    H    GLY  20           H        GLY  20   0.880   1.026   4.700
  129   1HA   GLY  20          1HA       GLY  20  -0.566   2.131   2.479
  130   2HA   GLY  20          2HA       GLY  20   0.766   1.114   1.962
  131    H    LYS  21           H        LYS  21  -1.935   0.565   1.373
  132    HA   LYS  21           HA       LYS  21  -2.188  -2.028   2.665
  133   1HB   LYS  21          1HB       LYS  21  -4.615  -1.738   2.960
  134   2HB   LYS  21          2HB       LYS  21  -3.688  -0.641   3.949
  135   1HG   LYS  21          1HG       LYS  21  -4.065   1.099   2.147
  136   2HG   LYS  21          2HG       LYS  21  -5.236  -0.026   1.458
  137   1HD   LYS  21          1HD       LYS  21  -6.624   0.093   3.365
  138   2HD   LYS  21          2HD       LYS  21  -5.369   0.880   4.324
  139   1HE   LYS  21          1HE       LYS  21  -6.618   2.711   3.812
  140   2HE   LYS  21          2HE       LYS  21  -5.565   2.695   2.398
  141   1HZ   LYS  21          1HZ       LYS  21  -7.297   1.486   1.192
  142   2HZ   LYS  21          2HZ       LYS  21  -7.856   2.984   1.741
  143   3HZ   LYS  21          3HZ       LYS  21  -8.310   1.568   2.545
  144    H    CYS  22           H        CYS  22  -4.122  -3.159   1.624
  145    HA   CYS  22           HA       CYS  22  -4.148  -2.644  -1.269
  146   1HB   CYS  22          1HB       CYS  22  -3.536  -5.182   0.190
  147   2HB   CYS  22          2HB       CYS  22  -4.271  -5.248  -1.411
  148    H    ILE  23           H        ILE  23  -6.106  -2.527  -2.110
  149    HA   ILE  23           HA       ILE  23  -8.372  -3.470  -0.519
  150    HB   ILE  23           HB       ILE  23  -8.114  -1.019  -1.180
  151   1HG1  ILE  23          1HG1      ILE  23 -10.687  -1.195  -2.104
  152   2HG1  ILE  23          2HG1      ILE  23 -10.474  -2.745  -1.300
  153   1HG2  ILE  23          1HG2      ILE  23  -7.799  -2.035  -3.726
  154   2HG2  ILE  23          2HG2      ILE  23  -8.061  -0.347  -3.288
  155   3HG2  ILE  23          3HG2      ILE  23  -9.431  -1.363  -3.735
  156   1HD1  ILE  23          1HD1      ILE  23  -9.408  -0.923   0.480
  157   2HD1  ILE  23          2HD1      ILE  23 -10.989  -1.698   0.582
  158   3HD1  ILE  23          3HD1      ILE  23 -10.832  -0.112  -0.172
  159    H    ASN  24           H        ASN  24  -9.995  -3.167  -3.183
  160    HA   ASN  24           HA       ASN  24 -10.420  -5.704  -3.828
  161   1HB   ASN  24          1HB       ASN  24 -10.909  -3.194  -5.103
  162   2HB   ASN  24          2HB       ASN  24 -10.461  -4.377  -6.327
  163   1HD2  ASN  24          1HD2      ASN  24 -12.846  -3.365  -4.070
  164   2HD2  ASN  24          2HD2      ASN  24 -14.047  -4.536  -4.483
  165    H    SER  25           H        SER  25  -7.907  -3.703  -5.289
  166    HA   SER  25           HA       SER  25  -6.062  -5.762  -5.552
  167   1HB   SER  25          1HB       SER  25  -7.986  -6.121  -7.442
  168   2HB   SER  25          2HB       SER  25  -6.835  -5.123  -8.327
  169    HG   SER  25           HG       SER  25  -5.230  -6.655  -7.857
  170    H    LYS  26           H        LYS  26  -6.233  -2.968  -4.802
  171    HA   LYS  26           HA       LYS  26  -3.997  -2.010  -6.411
  172   1HB   LYS  26          1HB       LYS  26  -4.914   0.108  -6.886
  173   2HB   LYS  26          2HB       LYS  26  -6.171  -1.050  -7.294
  174   1HG   LYS  26          1HG       LYS  26  -6.870  -0.507  -4.765
  175   2HG   LYS  26          2HG       LYS  26  -6.103   1.020  -5.198
  176   1HD   LYS  26          1HD       LYS  26  -8.054  -0.186  -7.100
  177   2HD   LYS  26          2HD       LYS  26  -8.670   0.595  -5.641
  178   1HE   LYS  26          1HE       LYS  26  -6.851   2.424  -6.530
  179   2HE   LYS  26          2HE       LYS  26  -7.458   1.763  -8.046
  180   1HZ   LYS  26          1HZ       LYS  26  -8.640   3.757  -6.806
  181   2HZ   LYS  26          2HZ       LYS  26  -9.436   2.490  -6.021
  182   3HZ   LYS  26          3HZ       LYS  26  -9.513   2.623  -7.705
  183    H    CYS  27           H        CYS  27  -2.401  -1.424  -5.153
  184    HA   CYS  27           HA       CYS  27  -2.608  -1.243  -2.347
  185   1HB   CYS  27          1HB       CYS  27  -0.589  -2.085  -3.126
  186   2HB   CYS  27          2HB       CYS  27  -0.460  -0.887  -4.394
  187    H    LYS  28           H        LYS  28  -2.818   0.407  -1.106
  188    HA   LYS  28           HA       LYS  28  -2.771   3.131  -2.235
  189   1HB   LYS  28          1HB       LYS  28  -5.045   2.516  -1.657
  190   2HB   LYS  28          2HB       LYS  28  -4.540   1.997  -0.056
  191   1HG   LYS  28          1HG       LYS  28  -4.337   4.139   0.725
  192   2HG   LYS  28          2HG       LYS  28  -4.021   4.810  -0.875
  193   1HD   LYS  28          1HD       LYS  28  -6.451   4.147  -1.403
  194   2HD   LYS  28          2HD       LYS  28  -6.641   4.010   0.346
  195   1HE   LYS  28          1HE       LYS  28  -5.404   6.429   0.111
  196   2HE   LYS  28          2HE       LYS  28  -6.388   6.392  -1.350
  197   1HZ   LYS  28          1HZ       LYS  28  -8.327   6.359  -0.153
  198   2HZ   LYS  28          2HZ       LYS  28  -7.363   7.309   0.860
  199   3HZ   LYS  28          3HZ       LYS  28  -7.619   5.678   1.224
  200    H    CYS  29           H        CYS  29  -1.907   4.783  -0.888
  201    HA   CYS  29           HA       CYS  29  -0.120   3.709   1.177
  202   1HB   CYS  29          1HB       CYS  29   0.103   6.152  -0.571
  203   2HB   CYS  29          2HB       CYS  29   1.151   5.866   0.814
  204    H    TYR  30           H        TYR  30   0.217   4.813   3.096
  205    HA   TYR  30           HA       TYR  30  -2.140   6.235   4.068
  206   1HB   TYR  30          1HB       TYR  30   0.210   4.994   5.511
  207   2HB   TYR  30          2HB       TYR  30  -1.090   5.856   6.317
  208    HD1  TYR  30           1HD      TYR  30  -2.270   3.974   3.508
  209    HD2  TYR  30           2HD      TYR  30  -1.170   3.652   7.601
  210    HE1  TYR  30           1HE      TYR  30  -3.544   1.890   3.678
  211    HE2  TYR  30           2HE      TYR  30  -2.447   1.563   7.786
  212    HH   TYR  30           HH       TYR  30  -4.445   0.509   6.541
  213    H    LYS  31           H        LYS  31  -1.102   8.002   2.544
  214    HA   LYS  31           HA       LYS  31   1.115   9.488   3.228
  215   1HB   LYS  31          1HB       LYS  31  -1.172   9.816   1.554
  216   2HB   LYS  31          2HB       LYS  31  -0.937  11.310   2.449
  217   1HG   LYS  31          1HG       LYS  31   1.508  10.178   1.309
  218   2HG   LYS  31          2HG       LYS  31   0.301  10.674   0.124
  219   1HD   LYS  31          1HD       LYS  31   1.333  12.418   2.362
  220   2HD   LYS  31          2HD       LYS  31   1.923  12.469   0.700
  221   1HE   LYS  31          1HE       LYS  31   0.146  13.636  -0.021
  222   2HE   LYS  31          2HE       LYS  31  -0.988  12.676   0.929
  223   1HZ   LYS  31          1HZ       LYS  31  -0.879  15.037   1.597
  224   2HZ   LYS  31          2HZ       LYS  31   0.737  14.817   2.054
  225   3HZ   LYS  31          3HZ       LYS  31  -0.494  13.976   2.859