*HEADER    TOXIN                                   19-NOV-03   1RJI              
*TITLE     SOLUTION STRUCTURE OF BMKX, A NOVEL POTASSIUM CHANNEL                 
*TITLE    2 BLOCKER FROM THE CHINESE SCORPION BUTHUS MARTENSI KARSCH             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: POTASSIUM CHANNEL TOXIN KX;                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: BMKX;                                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN THE                 
*SOURCE   4 CHINESE SCORPION BUTHUS MARTENSI KARSCH                              
*KEYWDS    3-10 HELIX, BETA SHEET                                                
*EXPDTA    NMR, 21 STRUCTURES                                                    
*AUTHOR    Z.CAI, J.WU, Y.XU, C.-G.WANG, C.-W.CHI, Y.SHI                         
*REVDAT   2   15-MAR-05 1RJI    1       AUTHOR JRNL                              
*REVDAT   1   09-DEC-03 1RJI    0                                                

# noe
assign (resid   3 and name hb# ) (resid   3 and name  hd#) 0.00 0.00 3.12
assign (resid   5 and name ha  ) (resid   5 and name  hb ) 0.00 0.00 3.42
assign (resid   5 and name ha  ) (resid   5 and name  hn ) 0.00 0.00 3.55
assign (resid   5 and name ha  ) (resid   5 and name  hg*) 0.00 0.00 3.42
assign (resid   5 and name hb  ) (resid   5 and name  hn ) 0.00 0.00 3.30
assign (resid   5 and name hg* ) (resid   5 and name  hn ) 0.00 0.00 3.88
assign (resid   6 and name ha  ) (resid   6 and name  hn ) 0.00 0.00 3.94
assign (resid   6 and name hb# ) (resid   6 and name  hn ) 0.00 0.00 2.98
assign (resid   8 and name ha  ) (resid   8 and name  hn ) 0.00 0.00 3.56
assign (resid   8 and name hb# ) (resid   8 and name  hn ) 0.00 0.00 3.01
assign (resid   8 and name hg1 ) (resid   8 and name  hn ) 0.00 0.00 4.28
assign (resid   8 and name hg2 ) (resid   8 and name  hn ) 0.00 0.00 4.28
assign (resid   9 and name ha  ) (resid   9 and name  hn ) 0.00 0.00 3.55
assign (resid   9 and name hg2#) (resid   9 and name  hb ) 0.00 0.00 4.13
assign (resid   9 and name hg2#) (resid   9 and name  hn ) 0.00 0.00 3.96
assign (resid  10 and name ha  ) (resid  10 and name  hn ) 0.00 0.00 3.21
assign (resid  10 and name hb# ) (resid  10 and name  hn ) 0.00 0.00 2.72
assign (resid  11 and name ha  ) (resid  11 and name  hb#) 0.00 0.00 2.80
assign (resid  11 and name ha  ) (resid  11 and name  hg#) 0.00 0.00 3.48
assign (resid  11 and name ha  ) (resid  11 and name  hn ) 0.00 0.00 3.22
assign (resid  11 and name hb# ) (resid  11 and name  hn ) 0.00 0.00 2.74
assign (resid  11 and name hg# ) (resid  11 and name  hn ) 0.00 0.00 3.47
assign (resid  12 and name ha  ) (resid  12 and name  hn ) 0.00 0.00 3.51
assign (resid  12 and name hb# ) (resid  12 and name  hn ) 0.00 0.00 2.76
assign (resid  13 and name ha  ) (resid  13 and name  hn ) 0.00 0.00 3.42
assign (resid  13 and name hb# ) (resid  13 and name  hn ) 0.00 0.00 2.81
assign (resid  14 and name ha  ) (resid  14 and name  hb ) 0.00 0.00 2.90
assign (resid  14 and name ha  ) (resid  14 and name  hn ) 0.00 0.00 3.21
assign (resid  14 and name ha  ) (resid  14 and name  hg*) 0.00 0.00 3.47
assign (resid  14 and name hb  ) (resid  14 and name  hg*) 0.00 0.00 3.14
assign (resid  14 and name hb  ) (resid  14 and name  hn ) 0.00 0.00 3.00
assign (resid  14 and name hg* ) (resid  14 and name  hn ) 0.00 0.00 3.38
assign (resid  15 and name ha  ) (resid  15 and name  hn ) 0.00 0.00 3.34
assign (resid  15 and name hg# ) (resid  15 and name  hn ) 0.00 0.00 3.61
assign (resid  16 and name ha  ) (resid  16 and name  hb#) 0.00 0.00 3.65
assign (resid  16 and name hb# ) (resid  16 and name  hn ) 0.00 0.00 2.80
assign (resid  17 and name ha# ) (resid  17 and name  hn ) 0.00 0.00 2.94
assign (resid  18 and name ha  ) (resid  18 and name  hd*) 0.00 0.00 4.64
assign (resid  18 and name ha  ) (resid  18 and name  hn ) 0.00 0.00 3.23
assign (resid  18 and name hb# ) (resid  18 and name  hn ) 0.00 0.00 3.51
assign (resid  18 and name hd* ) (resid  18 and name  hn ) 0.00 0.00 4.77
assign (resid  19 and name ha1 ) (resid  19 and name  hn ) 0.00 0.00 3.09
assign (resid  19 and name ha2 ) (resid  19 and name  hn ) 0.00 0.00 3.09
assign (resid  20 and name ha  ) (resid  20 and name  hn ) 0.00 0.00 3.36
assign (resid  20 and name hb  ) (resid  20 and name hd1#) 0.00 0.00 4.77
assign (resid  20 and name hb  ) (resid  20 and name  hn ) 0.00 0.00 2.81
assign (resid  20 and name hg1#) (resid  20 and name  hn ) 0.00 0.00 2.86
assign (resid  20 and name hg2#) (resid  20 and name  hn ) 0.00 0.00 4.55
assign (resid  20 and name hd1#) (resid  20 and name  hn ) 0.00 0.00 4.60
assign (resid  21 and name ha  ) (resid  21 and name  hn ) 0.00 0.00 3.47
assign (resid  22 and name hb1 ) (resid  22 and name  hn ) 0.00 0.00 3.18
assign (resid  22 and name hb2 ) (resid  22 and name  hn ) 0.00 0.00 3.18
assign (resid  23 and name ha  ) (resid  23 and name  hn ) 0.00 0.00 3.89
assign (resid  23 and name hb# ) (resid  23 and name  hn ) 0.00 0.00 3.68
assign (resid  23 and name hg# ) (resid  23 and name  he#) 0.00 0.00 4.72
assign (resid  23 and name hd# ) (resid  23 and name  hn ) 0.00 0.00 3.51
assign (resid  24 and name ha  ) (resid  24 and name  hn ) 0.00 0.00 2.70
assign (resid  24 and name hb1 ) (resid  24 and name  hn ) 0.00 0.00 3.99
assign (resid  24 and name hb2 ) (resid  24 and name  hn ) 0.00 0.00 3.99
assign (resid  25 and name ha# ) (resid  25 and name  hn ) 0.00 0.00 2.55
assign (resid  26 and name ha  ) (resid  26 and name  hn ) 0.00 0.00 3.42
assign (resid  26 and name hb# ) (resid  26 and name  hn ) 0.00 0.00 3.00
assign (resid  26 and name hb1 ) (resid  26 and name  hd#) 0.00 0.00 3.00
assign (resid  26 and name hb2 ) (resid  26 and name  hd#) 0.00 0.00 3.00
assign (resid  27 and name ha  ) (resid  27 and name  hn ) 0.00 0.00 3.57
assign (resid  27 and name hb1 ) (resid  27 and name  hn ) 0.00 0.00 3.20
assign (resid  27 and name hb2 ) (resid  27 and name  hn ) 0.00 0.00 3.20
assign (resid  28 and name ha  ) (resid  28 and name  hb1) 0.00 0.00 3.45
assign (resid  28 and name ha  ) (resid  28 and name  hb2) 0.00 0.00 3.45
assign (resid  28 and name ha  ) (resid  28 and name  hg#) 0.00 0.00 3.70
assign (resid  28 and name hb1 ) (resid  28 and name  hn ) 0.00 0.00 3.39
assign (resid  28 and name hb2 ) (resid  28 and name  hn ) 0.00 0.00 3.39
assign (resid  28 and name hg# ) (resid  28 and name  hn ) 0.00 0.00 3.35
assign (resid  28 and name hg# ) (resid  28 and name he2#) 0.00 0.00 3.39
assign (resid  30 and name ha  ) (resid  30 and name  hn ) 0.00 0.00 3.67
assign (resid  31 and name ha  ) (resid  31 and name  hn ) 0.00 0.00 3.68
assign (resid  31 and name hg2#) (resid  31 and name  hn ) 0.00 0.00 5.18
assign (resid   2 and name ha  ) (resid   3 and name  hn ) 0.00 0.00 3.11
assign (resid   2 and name ha  ) (resid   5 and name  hn ) 0.00 0.00 3.20 
assign (resid   5 and name ha  ) (resid   6 and name  hn ) 0.00 0.00 2.59
assign (resid   5 and name hb  ) (resid   6 and name  hn ) 0.00 0.00 4.02
assign (resid   5 and name hg* ) (resid   6 and name  hn ) 0.00 0.00 3.94
assign (resid   6 and name ha  ) (resid   7 and name  hn ) 0.00 0.00 3.14
assign (resid   6 and name hb1 ) (resid   7 and name  hn ) 0.00 0.00 3.61
assign (resid   6 and name hb2 ) (resid   7 and name  hn ) 0.00 0.00 3.61
assign (resid   8 and name ha  ) (resid   9 and name  hn ) 0.00 0.00 3.60
assign (resid   9 and name hb  ) (resid  10 and name  hn ) 0.00 0.00 2.89
assign (resid   9 and name hg2#) (resid  10 and name  hn ) 0.00 0.00 5.03
assign (resid  10 and name ha  ) (resid  11 and name  hn ) 0.00 0.00 4.12
assign (resid  10 and name hb# ) (resid  11 and name  hn ) 0.00 0.00 3.27
assign (resid  11 and name ha  ) (resid  12 and name  hn ) 0.00 0.00 3.80
assign (resid  11 and name hb# ) (resid  12 and name  hn ) 0.00 0.00 3.80
assign (resid  12 and name ha  ) (resid  13 and name  hn ) 0.00 0.00 4.39
assign (resid  12 and name hb# ) (resid  13 and name  hn ) 0.00 0.00 3.70
assign (resid  13 and name ha  ) (resid  14 and name  hn ) 0.00 0.00 3.75
assign (resid  14 and name ha  ) (resid  15 and name  hn ) 0.00 0.00 3.56
assign (resid  14 and name hg* ) (resid  15 and name  hn ) 0.00 0.00 3.93
assign (resid  15 and name ha  ) (resid  16 and name  hn ) 0.00 0.00 3.82
assign (resid  15 and name hb# ) (resid  16 and name  hn ) 0.00 0.00 4.26
assign (resid  16 and name hb# ) (resid  17 and name  hn ) 0.00 0.00 3.82
assign (resid  17 and name ha1 ) (resid  18 and name  hn ) 0.00 0.00 3.14
assign (resid  17 and name ha2 ) (resid  18 and name  hn ) 0.00 0.00 3.14
assign (resid  18 and name ha  ) (resid  19 and name  hn ) 0.00 0.00 2.60
assign (resid  18 and name hb# ) (resid  19 and name  hn ) 0.00 0.00 3.75
assign (resid  19 and name ha# ) (resid  20 and name  hn ) 0.00 0.00 3.25
assign (resid  20 and name hb  ) (resid  21 and name  hn ) 0.00 0.00 4.56
assign (resid  20 and name hg2#) (resid  21 and name  hn ) 0.00 0.00 3.85
assign (resid  20 and name hd1#) (resid  21 and name  hn ) 0.00 0.00 4.68
assign (resid  21 and name ha  ) (resid  22 and name  hn ) 0.00 0.00 2.64
assign (resid  21 and name hb# ) (resid  22 and name  hn ) 0.00 0.00 3.16
assign (resid  23 and name ha  ) (resid  24 and name  hn ) 0.00 0.00 2.80
assign (resid  23 and name hb# ) (resid  24 and name  hn ) 0.00 0.00 4.34
assign (resid  23 and name hd# ) (resid  24 and name  hn ) 0.00 0.00 4.59
assign (resid  24 and name ha  ) (resid  25 and name  hn ) 0.00 0.00 3.22
assign (resid  25 and name ha1 ) (resid  26 and name  hn ) 0.00 0.00 4.00
assign (resid  25 and name ha2 ) (resid  26 and name  hn ) 0.00 0.00 4.00
assign (resid  26 and name ha  ) (resid  27 and name  hn ) 0.00 0.00 2.76
assign (resid  27 and name ha  ) (resid  28 and name  hn ) 0.00 0.00 3.03
assign (resid  27 and name hb# ) (resid  28 and name  hn ) 0.00 0.00 4.05
assign (resid  29 and name ha1 ) (resid  30 and name  hn ) 0.00 0.00 3.72
assign (resid  29 and name ha2 ) (resid  30 and name  hn ) 0.00 0.00 3.72
assign (resid  30 and name ha  ) (resid  31 and name  hn ) 0.00 0.00 3.27
assign (resid  30 and name hb# ) (resid  31 and name  hn ) 0.00 0.00 4.26
assign (resid   3 and name hd# ) (resid   3 and name  hn ) 0.00 0.00 4.72
assign (resid   8 and name hn  ) (resid   9 and name  hn ) 0.00 0.00 2.56
assign (resid  10 and name hn  ) (resid  11 and name  hn ) 0.00 0.00 3.34
assign (resid  11 and name hn  ) (resid  12 and name  hn ) 0.00 0.00 2.89
assign (resid  12 and name hn  ) (resid  13 and name  hn ) 0.00 0.00 2.91
assign (resid  13 and name hn  ) (resid  14 and name  hn ) 0.00 0.00 2.92
assign (resid  14 and name hn  ) (resid  15 and name  hn ) 0.00 0.00 3.32
assign (resid  14 and name hn  ) (resid  16 and name  hn ) 0.00 0.00 4.41
assign (resid  15 and name hn  ) (resid  16 and name  hn ) 0.00 0.00 3.00
assign (resid  16 and name hn  ) (resid  17 and name  hn ) 0.00 0.00 3.02
assign (resid  17 and name hn  ) (resid  18 and name  hn ) 0.00 0.00 5.12
assign (resid  18 and name hn  ) (resid  19 and name  hn ) 0.00 0.00 3.76
assign (resid  19 and name hn  ) (resid  20 and name  hn ) 0.00 0.00 3.19
assign (resid  20 and name hn  ) (resid  21 and name  hn ) 0.00 0.00 4.92
assign (resid  23 and name hn  ) (resid  26 and name  hn ) 0.00 0.00 3.44
assign (resid  23 and name hn  ) (resid  28 and name he2#) 0.00 0.00 4.59
assign (resid  24 and name hn  ) (resid  25 and name  hn ) 0.00 0.00 3.60
assign (resid  25 and name hn  ) (resid  26 and name  hn ) 0.00 0.00 2.96
assign (resid  26 and name hd# ) (resid  27 and name  hn ) 0.00 0.00 4.53
assign (resid  29 and name hn  ) (resid  30 and name  hn ) 0.00 0.00 3.44
assign (resid  30 and name hn  ) (resid  31 and name  hn ) 0.00 0.00 3.90
assign (resid  11 and name ha  ) (resid  14 and name  hb ) 0.00 0.00 3.97
assign (resid  11 and name ha  ) (resid  14 and name  hg*) 0.00 0.00 3.64
assign (resid   3 and name  hb#) (resid   5 and name  hg*) 0.00 0.00 4.03
assign (resid   5 and name  hn ) (resid  26 and name hb# ) 0.00 0.00 4.57
assign (resid   5 and name  hg*) (resid  27 and name  hn ) 0.00 0.00 4.88
assign (resid   5 and name  hb ) (resid  27 and name  hn ) 0.00 0.00 4.00
assign (resid   5 and name  hg*) (resid  30 and name  hb#) 0.00 0.00 4.28
assign (resid   7 and name  hb#) (resid   9 and name  hn ) 0.00 0.00 3.35
assign (resid   7 and name  hn ) (resid  26 and name  ha ) 0.00 0.00 3.68
assign (resid   8 and name  hb#) (resid   9 and name  hn ) 0.00 0.00 3.22
assign (resid   8 and name  hn ) (resid  12 and name hb# ) 0.00 0.00 3.42
assign (resid   9 and name  hn ) (resid  12 and name hb# ) 0.00 0.00 3.30
assign (resid  10 and name  ha ) (resid  12 and name  hn ) 0.00 0.00 4.59
assign (resid  10 and name  ha ) (resid  22 and name  hn ) 0.00 0.00 3.15
assign (resid  10 and name  ha ) (resid  13 and name  hn ) 0.00 0.00 4.39
assign (resid  11 and name  ha ) (resid  13 and name  hn ) 0.00 0.00 4.09
assign (resid  11 and name  ha ) (resid  14 and name  hn ) 0.00 0.00 4.42
assign (resid  13 and name  hn ) (resid  14 and name hg* ) 0.00 0.00 5.00
assign (resid  13 and name  ha ) (resid  16 and name  hn ) 0.00 0.00 4.56
assign (resid  13 and name  hb#) (resid  20 and name  hb ) 0.00 0.00 3.40
assign (resid  13 and name  hb1) (resid  20 and name hg2#) 0.00 0.00 3.72
assign (resid  13 and name  hb2) (resid  20 and name hg2#) 0.00 0.00 3.72
assign (resid  14 and name  ha ) (resid  16 and name  hn ) 0.00 0.00 4.11
assign (resid  14 and name  hg*) (resid  16 and name  hn ) 0.00 0.00 5.49
assign (resid  14 and name  ha ) (resid  17 and name  hn ) 0.00 0.00 4.24
assign (resid  15 and name  hb#) (resid  16 and name  hn ) 0.00 0.00 4.26
assign (resid  16 and name  hb#) (resid  20 and name  hb ) 0.00 0.00 3.75
assign (resid  16 and name  hb#) (resid  20 and name hg1#) 0.00 0.00 3.08
assign (resid  16 and name  hb1) (resid  20 and name hg2#) 0.00 0.00 4.14
assign (resid  16 and name  hb2) (resid  20 and name hg2#) 0.00 0.00 4.14
assign (resid  16 and name  hb#) (resid  20 and name hd1#) 0.00 0.00 5.00
assign (resid  16 and name  hb#) (resid  30 and name  hn ) 0.00 0.00 4.31
assign (resid  18 and name  ha ) (resid  20 and name  hn ) 0.00 0.00 5.11
assign (resid  18 and name  ha ) (resid  31 and name hg2#) 0.00 0.00 4.69
assign (resid  20 and name hg2#) (resid  28 and name  hn ) 0.00 0.00 4.30
assign (resid  20 and name hg2#) (resid  30 and name  hn ) 0.00 0.00 5.59
assign (resid  22 and name  hb#) (resid  28 and name he2#) 0.00 0.00 4.70
assign (resid  23 and name  hn ) (resid  28 and name hg# ) 0.00 0.00 4.00
assign (resid  26 and name  hb#) (resid  27 and name  hn ) 0.00 0.00 3.69
assign (resid   2 and name  hb#) (resid  3 and name   hn ) 0.00 0.00 4.34
assign (resid   5 and name   hn) (resid  6 and name   hn ) 0.00 0.00 4.17
assign (resid   5 and name   hn) (resid 26 and name  hd# ) 0.00 0.00 4.40
assign (resid   6 and name   hn) (resid 26 and name  hd# ) 0.00 0.00 5.40
assign (resid   6 and name   hn) (resid 26 and name  he# ) 0.00 0.00 4.93
assign (resid   6 and name   hn) (resid 27 and name   hn ) 0.00 0.00 5.26
assign (resid   7 and name   hn) (resid 26 and name   hn ) 0.00 0.00 5.10
assign (resid   7 and name   hn) (resid 26 and name  hd# ) 0.00 0.00 5.35
assign (resid   7 and name   hn) (resid 26 and name  he# ) 0.00 0.00 5.09
assign (resid   7 and name   hn) (resid 27 and name   hn ) 0.00 0.00 5.10
assign (resid   8 and name   hn) (resid  9 and name hg2# ) 0.00 0.00 5.49
assign (resid   8 and name  hg#) (resid  9 and name   hn ) 0.00 0.00 5.10
assign (resid   8 and name   hn) (resid 12 and name   hn ) 0.00 0.00 5.09
assign (resid  10 and name   hn) (resid 12 and name   hn ) 0.00 0.00 5.40
assign (resid  12 and name   hn) (resid 20 and name hg1# ) 0.00 0.00 5.20
assign (resid  13 and name   hn) (resid 15 and name   hn ) 0.00 0.00 5.10
assign (resid  13 and name   hn) (resid 20 and name hg2# ) 0.00 0.00 6.04
assign (resid  15 and name   hn) (resid 17 and name   hn ) 0.00 0.00 4.85
assign (resid  16 and name   hn) (resid 20 and name hg2# ) 0.00 0.00 5.59
assign (resid  18 and name   hn) (resid 20 and name hd1# ) 0.00 0.00 6.11
assign (resid  20 and name hd1#) (resid 30 and name   hn ) 0.00 0.00 5.81
assign (resid  23 and name   hn) (resid 24 and name   hn ) 0.00 0.00 4.91
assign (resid  23 and name   hn) (resid 25 and name   hn ) 0.00 0.00 4.31
assign (resid  24 and name  hb#) (resid 26 and name  hd# ) 0.00 0.00 3.72
assign (resid  24 and name   hn) (resid 26 and name   hn ) 0.00 0.00 4.95
assign (resid  13 and name   ha) (resid 15 and name   hn ) 0.00 0.00 4.55
assign (resid  23 and name   ha) (resid 25 and name   hn ) 0.00 0.00 5.05
assign (resid   5 and name   hb) (resid 28 and name   hn ) 0.00 0.00 5.80
assign (resid   5 and name   hb) (resid 16 and name   hn ) 0.00 0.00 4.90
assign (resid  10 and name   hn) (resid 22 and name  hb# ) 0.00 0.00 4.22
assign (resid  17 and name   hn) (resid 20 and name   hb ) 0.00 0.00 4.77
assign (resid  17 and name   hn) (resid 20 and name hg1# ) 0.00 0.00 4.23
assign (resid  18 and name   hn) (resid 20 and name hg1# ) 0.00 0.00 4.86
assign (resid   9 and name   ha) (resid 10 and name   hn ) 0.00 0.00 4.40
assign (resid   7 and name  hb1) (resid 12 and name   hn ) 0.00 0.00 4.50
assign (resid   7 and name  hb2) (resid 12 and name   hn ) 0.00 0.00 4.57
assign (resid  11 and name  hd#) (resid 12 and name   hn ) 0.00 0.00 5.33
assign (resid  12 and name  ha ) (resid 14 and name   hn ) 0.00 0.00 5.04
assign (resid  13 and name  hb#) (resid 14 and name   hn ) 0.00 0.00 4.40
assign (resid  23 and name  hb#) (resid 28 and name he2# ) 0.00 0.00 5.62
assign (resid  23 and name  hd#) (resid 28 and name he2# ) 0.00 0.00 6.00
assign (resid  20 and name  ha ) (resid 20 and name  hb  ) 0.00 0.00 3.33
assign (resid  20 and name  ha ) (resid 20 and name hd1# ) 0.00 0.00 3.46
assign (resid  20 and name  ha ) (resid 20 and name hg2# ) 0.00 0.00 3.73
assign (resid  20 and name  ha ) (resid 20 and name hg1# ) 0.00 0.00 3.70 
assign (resid  2 and name   hd#) (resid 29 and name  ha# ) 0.00 0.00 3.25
assign (resid  6 and name   hb#) (resid  6 and name hd2# ) 0.00 0.00 4.04
assign (resid  7 and name   ha ) (resid  8 and name   hn ) 0.00 0.00 3.91
assign (resid  7 and name   hb#) (resid  8 and name   hn ) 0.00 0.00 3.53
assign (resid 10 and name    ha) (resid 21 and name   ha ) 0.00 0.00 4.23
assign (resid 10 and name    ha) (resid 22 and name  hb# ) 0.00 0.00 3.21
assign (resid 11 and name    ha) (resid 11 and name  hd# ) 0.00 0.00 4.26
assign (resid 11 and name   hg#) (resid 12 and name   hn ) 0.00 0.00 5.29
assign (resid 14 and name   ha ) (resid 20 and name  hg2#) 0.00 0.00 5.78
assign (resid 15 and name   hb#) (resid 15 and name    hn) 0.00 0.00 3.18
assign (resid 14 and name    hb) (resid 15 and name   hn ) 0.00 0.00 4.03
assign (resid 16 and name   hb#) (resid 31 and name   hn ) 0.00 0.00 6.00
assign (resid 22 and name    ha) (resid 23 and name   hn ) 0.00 0.00 3.35
assign (resid 22 and name    ha) (resid 28 and name   hn ) 0.00 0.00 5.89
assign (resid 23 and name   hb#) (resid 28 and name  hg# ) 0.00 0.00 4.25
assign (resid 23 and name   hg#) (resid 28 and name  hg# ) 0.00 0.00 3.97
assign (resid 23 and name   hd#) (resid 28 and name  hg# ) 0.00 0.00 4.09        
# h-bond
assign (resid 14 and name hn) (resid 11 and name   o) 1.80 0.20 0.60
assign (resid 14 and name  n) (resid 11 and name   o) 2.70 0.30 0.60
assign (resid 13 and name hn) (resid 10 and name   o) 1.80 0.20 0.60
assign (resid 13 and name  n) (resid 10 and name   o) 2.70 0.30 0.60
assign (resid 12 and name hn) (resid  9 and name   o) 1.80 0.20 0.60
assign (resid 12 and name  n) (resid  9 and name   o) 2.70 0.30 0.60
assign (resid 23 and name hn) (resid 26 and name   o) 1.80 0.20 0.60
assign (resid 23 and name  n) (resid 26 and name   o) 2.70 0.30 0.60
assign (resid 23 and name  o) (resid 26 and name  hn) 1.80 0.20 0.60
assign (resid 23 and name  o) (resid 26 and name   n) 2.70 0.30 0.60
assign (resid  5 and name  o) (resid 27 and name  hn) 1.80 0.20 0.60
assign (resid  5 and name  o) (resid 27 and name   n) 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
assign (resid  7 and name hn) (resid 25 and name   o) 1.80 0.20 0.60
assign (resid  7 and name  n) (resid 25 and name   o) 2.70 0.30 0.60
assign (resid 16 and name hn) (resid 13 and name   o) 1.80 0.20 0.60
assign (resid 16 and name  n) (resid 13 and name   o) 2.70 0.30 0.60
assign (resid  9 and name hn) (resid 12 and name od#) 1.80 0.20 0.60

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    THR   1          1HT       THR   1 -10.060  -0.269  -3.000
    2   2H    THR   1          2HT       THR   1  -9.544  -0.147  -1.367
    3   3H    THR   1          3HT       THR   1  -8.513  -0.849  -2.546
    4    HA   THR   1           HA       THR   1  -8.318   1.213  -3.675
    5    HB   THR   1           HB       THR   1  -9.274   3.251  -2.522
    6    HG1  THR   1           1HG      THR   1 -10.993   1.420  -1.222
    7   1HG2  THR   1          1HG2      THR   1 -11.423   1.349  -3.404
    8   2HG2  THR   1          2HG2      THR   1 -10.355   2.205  -4.516
    9   3HG2  THR   1          3HG2      THR   1 -11.440   3.112  -3.463
   10    HA   PRO   2           HA       PRO   2  -4.938   1.788  -0.833
   11   1HB   PRO   2          2HB       PRO   2  -3.509   3.571  -2.210
   12   2HB   PRO   2          1HB       PRO   2  -3.781   1.947  -2.854
   13   1HG   PRO   2          2HG       PRO   2  -5.145   4.517  -3.555
   14   2HG   PRO   2          1HG       PRO   2  -4.590   3.217  -4.623
   15   1HD   PRO   2          2HD       PRO   2  -7.195   3.539  -3.744
   16   2HD   PRO   2          1HD       PRO   2  -6.505   2.016  -4.335
   17    H    TYR   3           H        TYR   3  -7.308   3.235  -0.083
   18    HA   TYR   3           HA       TYR   3  -6.390   5.915   0.577
   19   1HB   TYR   3          2HB       TYR   3  -8.939   4.649   0.232
   20   2HB   TYR   3          1HB       TYR   3  -8.861   5.341   1.848
   21    HD1  TYR   3           1HD      TYR   3  -8.766   6.091  -1.751
   22    HD2  TYR   3           2HD      TYR   3  -8.797   7.728   2.176
   23    HE1  TYR   3           1HE      TYR   3  -9.252   8.312  -2.687
   24    HE2  TYR   3           2HE      TYR   3  -9.286   9.953   1.252
   25    HH   TYR   3           HH       TYR   3 -10.520  10.651  -1.313
   26    HA   PRO   4           HA       PRO   4  -6.533   4.080   4.924
   27   1HB   PRO   4          2HB       PRO   4  -8.013   1.957   5.534
   28   2HB   PRO   4          1HB       PRO   4  -8.773   3.505   5.147
   29   1HG   PRO   4          2HG       PRO   4  -8.568   1.037   3.508
   30   2HG   PRO   4          1HG       PRO   4  -9.842   2.266   3.537
   31   1HD   PRO   4          2HD       PRO   4  -7.677   2.049   1.694
   32   2HD   PRO   4          1HD       PRO   4  -8.880   3.347   1.799
   33    H    VAL   5           H        VAL   5  -5.212   2.424   2.438
   34    HA   VAL   5           HA       VAL   5  -4.223   0.176   4.027
   35    HB   VAL   5           HB       VAL   5  -3.095   0.476   1.337
   36   1HG1  VAL   5          1HG1      VAL   5  -3.168  -1.801   1.339
   37   2HG1  VAL   5          2HG1      VAL   5  -4.694  -1.865   2.222
   38   3HG1  VAL   5          3HG1      VAL   5  -3.194  -1.510   3.079
   39   1HG2  VAL   5          1HG2      VAL   5  -6.063  -0.024   1.618
   40   2HG2  VAL   5          2HG2      VAL   5  -5.121  -0.179   0.136
   41   3HG2  VAL   5          3HG2      VAL   5  -5.327   1.403   0.889
   42    H    ASN   6           H        ASN   6  -2.694   0.794   5.385
   43    HA   ASN   6           HA       ASN   6  -0.680   2.739   4.598
   44   1HB   ASN   6          2HB       ASN   6   0.123   2.424   6.987
   45   2HB   ASN   6          1HB       ASN   6  -1.487   3.101   6.794
   46   1HD2  ASN   6          1HD2      ASN   6  -3.192   2.070   7.678
   47   2HD2  ASN   6          2HD2      ASN   6  -3.092   0.567   8.524
   48    H    CYS   7           H        CYS   7   1.613   2.329   5.042
   49    HA   CYS   7           HA       CYS   7   2.666  -0.269   5.369
   50   1HB   CYS   7          2HB       CYS   7   3.544  -0.622   3.050
   51   2HB   CYS   7          1HB       CYS   7   1.803  -0.804   3.184
   52    H    LYS   8           H        LYS   8   4.993  -0.399   4.596
   53    HA   LYS   8           HA       LYS   8   6.325   2.215   4.875
   54   1HB   LYS   8          2HB       LYS   8   7.383  -0.457   5.833
   55   2HB   LYS   8          1HB       LYS   8   8.137   1.115   6.064
   56   1HG   LYS   8          2HG       LYS   8   6.045   1.752   7.363
   57   2HG   LYS   8          1HG       LYS   8   5.656   0.031   7.354
   58   1HD   LYS   8          2HD       LYS   8   7.738  -0.479   8.484
   59   2HD   LYS   8          1HD       LYS   8   8.221   1.217   8.413
   60   1HE   LYS   8          2HE       LYS   8   5.935   1.574   9.668
   61   2HE   LYS   8          1HE       LYS   8   6.172  -0.111  10.123
   62   1HZ   LYS   8          1HZ       LYS   8   8.079   2.112  10.622
   63   2HZ   LYS   8          2HZ       LYS   8   8.341   0.492  11.032
   64   3HZ   LYS   8          3HZ       LYS   8   7.098   1.363  11.780
   65    H    THR   9           H        THR   9   6.569  -1.087   3.610
   66    HA   THR   9           HA       THR   9   8.335  -0.123   1.462
   67    HB   THR   9           HB       THR   9   9.134  -2.400   1.224
   68    HG1  THR   9           1HG      THR   9   7.582  -3.778   1.702
   69   1HG2  THR   9          1HG2      THR   9  10.151  -1.020   3.038
   70   2HG2  THR   9          2HG2      THR   9  10.283  -2.764   3.264
   71   3HG2  THR   9          3HG2      THR   9   9.086  -1.844   4.175
   72    H    ASP  10           H        ASP  10   8.042  -1.842  -0.512
   73    HA   ASP  10           HA       ASP  10   5.567  -1.206  -1.675
   74   1HB   ASP  10          2HB       ASP  10   7.845  -1.897  -2.759
   75   2HB   ASP  10          1HB       ASP  10   7.192  -3.528  -2.650
   76    H    ARG  11           H        ARG  11   6.754  -4.428  -0.658
   77    HA   ARG  11           HA       ARG  11   4.207  -5.669  -0.999
   78   1HB   ARG  11          2HB       ARG  11   6.692  -6.607   0.439
   79   2HB   ARG  11          1HB       ARG  11   5.276  -7.608   0.146
   80   1HG   ARG  11          2HG       ARG  11   5.683  -7.763  -2.113
   81   2HG   ARG  11          1HG       ARG  11   6.625  -6.270  -2.154
   82   1HD   ARG  11          2HD       ARG  11   8.212  -7.670  -0.558
   83   2HD   ARG  11          1HD       ARG  11   7.444  -9.024  -1.385
   84    HE   ARG  11           HE       ARG  11   8.238  -7.308  -3.378
   85   1HH1  ARG  11          1HH1      ARG  11   9.834  -9.041  -0.787
   86   2HH1  ARG  11          2HH1      ARG  11  11.330  -9.191  -1.646
   87   1HH2  ARG  11          1HH2      ARG  11  10.211  -7.508  -4.503
   88   2HH2  ARG  11          2HH2      ARG  11  11.545  -8.321  -3.754
   89    H    ASP  12           H        ASP  12   4.998  -3.460   1.298
   90    HA   ASP  12           HA       ASP  12   3.966  -4.782   3.632
   91   1HB   ASP  12          2HB       ASP  12   5.001  -2.092   2.978
   92   2HB   ASP  12          1HB       ASP  12   3.778  -2.141   4.240
   93    H    CYS  13           H        CYS  13   2.714  -3.030   0.943
   94    HA   CYS  13           HA       CYS  13   0.102  -2.689   2.191
   95   1HB   CYS  13          2HB       CYS  13   1.541  -1.199   0.322
   96   2HB   CYS  13          1HB       CYS  13   0.278  -1.977  -0.622
   97    H    VAL  14           H        VAL  14   1.317  -5.359   1.478
   98    HA   VAL  14           HA       VAL  14   0.282  -6.509  -0.790
   99    HB   VAL  14           HB       VAL  14   1.743  -7.498   1.165
  100   1HG1  VAL  14          1HG1      VAL  14  -0.174  -7.465   2.776
  101   2HG1  VAL  14          2HG1      VAL  14   0.627  -9.027   2.608
  102   3HG1  VAL  14          3HG1      VAL  14  -0.921  -8.742   1.815
  103   1HG2  VAL  14          1HG2      VAL  14   1.176  -9.803   0.298
  104   2HG2  VAL  14          2HG2      VAL  14   1.603  -8.595  -0.916
  105   3HG2  VAL  14          3HG2      VAL  14  -0.088  -9.031  -0.661
  106    H    MET  15           H        MET  15  -1.429  -5.635   2.144
  107    HA   MET  15           HA       MET  15  -3.752  -7.159   1.859
  108   1HB   MET  15          2HB       MET  15  -3.271  -4.434   3.057
  109   2HB   MET  15          1HB       MET  15  -4.850  -5.206   3.098
  110   1HG   MET  15          2HG       MET  15  -4.001  -7.022   4.399
  111   2HG   MET  15          1HG       MET  15  -2.347  -6.439   4.220
  112   1HE   MET  15          1HE       MET  15  -2.979  -5.826   8.016
  113   2HE   MET  15          2HE       MET  15  -1.826  -6.422   6.823
  114   3HE   MET  15          3HE       MET  15  -3.394  -7.209   7.002
  115    H    CYS  16           H        CYS  16  -2.679  -4.298   0.161
  116    HA   CYS  16           HA       CYS  16  -5.257  -3.771  -1.034
  117   1HB   CYS  16          2HB       CYS  16  -3.285  -2.105  -0.471
  118   2HB   CYS  16          1HB       CYS  16  -2.708  -2.578  -2.064
  119    H    GLY  17           H        GLY  17  -2.078  -4.997  -2.133
  120   1HA   GLY  17          2HA       GLY  17  -3.320  -6.760  -4.020
  121   2HA   GLY  17          1HA       GLY  17  -2.599  -5.371  -4.814
  122    H    LEU  18           H        LEU  18  -1.386  -7.225  -5.828
  123    HA   LEU  18           HA       LEU  18   0.749  -8.318  -4.190
  124   1HB   LEU  18          2HB       LEU  18   0.005  -8.817  -7.070
  125   2HB   LEU  18          1HB       LEU  18   1.328  -9.605  -6.235
  126    HG   LEU  18           HG       LEU  18  -1.465  -9.816  -5.164
  127   1HD1  LEU  18          1HD1      LEU  18  -0.257 -11.569  -7.298
  128   2HD1  LEU  18          2HD1      LEU  18  -1.608 -10.456  -7.514
  129   3HD1  LEU  18          3HD1      LEU  18  -1.780 -11.858  -6.458
  130   1HD2  LEU  18          1HD2      LEU  18   0.383 -10.562  -3.757
  131   2HD2  LEU  18          2HD2      LEU  18   0.947 -11.625  -5.047
  132   3HD2  LEU  18          3HD2      LEU  18  -0.610 -11.925  -4.274
  133    H    GLY  19           H        GLY  19   1.795  -6.321  -3.824
  134   1HA   GLY  19          2HA       GLY  19   3.903  -5.296  -4.297
  135   2HA   GLY  19          1HA       GLY  19   3.628  -5.595  -6.009
  136    H    ILE  20           H        ILE  20   2.653  -3.628  -3.254
  137    HA   ILE  20           HA       ILE  20   1.461  -1.668  -5.093
  138    HB   ILE  20           HB       ILE  20   1.129  -1.424  -2.156
  139   1HG1  ILE  20          2HG1      ILE  20   0.768  -3.768  -2.343
  140   2HG1  ILE  20          1HG1      ILE  20  -0.817  -3.000  -2.246
  141   1HG2  ILE  20          1HG2      ILE  20   0.038   0.257  -3.298
  142   2HG2  ILE  20          2HG2      ILE  20  -1.252  -0.917  -3.043
  143   3HG2  ILE  20          3HG2      ILE  20  -0.452  -0.812  -4.611
  144   1HD1  ILE  20          1HD1      ILE  20   0.167  -4.761  -4.226
  145   2HD1  ILE  20          2HD1      ILE  20  -0.105  -3.195  -4.986
  146   3HD1  ILE  20          3HD1      ILE  20  -1.416  -3.994  -4.125
  147    H    SER  21           H        SER  21   2.287   0.336  -5.302
  148    HA   SER  21           HA       SER  21   4.831   0.964  -4.187
  149   1HB   SER  21          2HB       SER  21   2.833   2.775  -5.575
  150   2HB   SER  21          1HB       SER  21   4.512   3.183  -5.224
  151    HG   SER  21           HG       SER  21   3.455   1.497  -7.163
  152    H    CYS  22           H        CYS  22   5.286   1.874  -2.277
  153    HA   CYS  22           HA       CYS  22   3.037   2.725  -0.621
  154   1HB   CYS  22          2HB       CYS  22   4.854   1.014   0.084
  155   2HB   CYS  22          1HB       CYS  22   5.850   2.435   0.381
  156    H    LYS  23           H        LYS  23   2.625   4.740  -0.134
  157    HA   LYS  23           HA       LYS  23   4.505   6.844  -0.909
  158   1HB   LYS  23          2HB       LYS  23   2.651   8.350  -0.828
  159   2HB   LYS  23          1HB       LYS  23   2.093   6.904  -1.655
  160   1HG   LYS  23          2HG       LYS  23   1.387   6.293   0.866
  161   2HG   LYS  23          1HG       LYS  23   1.265   8.051   0.928
  162   1HD   LYS  23          2HD       LYS  23   0.040   6.552  -1.351
  163   2HD   LYS  23          1HD       LYS  23  -0.794   6.624   0.202
  164   1HE   LYS  23          2HE       LYS  23  -1.674   8.514  -0.652
  165   2HE   LYS  23          1HE       LYS  23  -0.152   9.224  -0.118
  166   1HZ   LYS  23          1HZ       LYS  23  -0.715   9.807  -2.417
  167   2HZ   LYS  23          2HZ       LYS  23  -0.666   8.173  -2.849
  168   3HZ   LYS  23          3HZ       LYS  23   0.741   8.951  -2.323
  169    H    ASN  24           H        ASN  24   3.465   8.783   0.932
  170    HA   ASN  24           HA       ASN  24   5.203   8.554   3.060
  171   1HB   ASN  24          2HB       ASN  24   3.914  10.616   2.100
  172   2HB   ASN  24          1HB       ASN  24   2.707  10.196   3.311
  173   1HD2  ASN  24          1HD2      ASN  24   3.123  10.572   5.451
  174   2HD2  ASN  24          2HD2      ASN  24   4.519  11.420   6.011
  175    H    GLY  25           H        GLY  25   4.520   6.241   3.478
  176   1HA   GLY  25          2HA       GLY  25   3.930   4.817   5.198
  177   2HA   GLY  25          1HA       GLY  25   3.121   6.156   5.993
  178    H    TYR  26           H        TYR  26   2.249   5.533   2.675
  179    HA   TYR  26           HA       TYR  26  -0.016   3.884   3.501
  180   1HB   TYR  26          2HB       TYR  26  -0.307   6.636   2.310
  181   2HB   TYR  26          1HB       TYR  26  -1.605   5.442   2.278
  182    HD1  TYR  26           1HD      TYR  26  -0.483   8.209   3.994
  183    HD2  TYR  26           2HD      TYR  26  -1.889   4.260   4.723
  184    HE1  TYR  26           1HE      TYR  26  -1.145   8.868   6.270
  185    HE2  TYR  26           2HE      TYR  26  -2.548   4.904   6.995
  186    HH   TYR  26           HH       TYR  26  -1.530   7.135   8.650
  187    H    CYS  27           H        CYS  27  -1.568   3.761   1.378
  188    HA   CYS  27           HA       CYS  27   0.120   2.456  -0.600
  189   1HB   CYS  27          2HB       CYS  27  -2.424   1.942   0.528
  190   2HB   CYS  27          1HB       CYS  27  -2.676   2.245  -1.181
  191    H    GLN  28           H        GLN  28   0.272   3.000  -2.711
  192    HA   GLN  28           HA       GLN  28  -0.729   5.627  -3.486
  193   1HB   GLN  28          2HB       GLN  28   1.510   3.900  -4.281
  194   2HB   GLN  28          1HB       GLN  28   0.725   4.715  -5.623
  195   1HG   GLN  28          2HG       GLN  28   1.156   6.855  -4.679
  196   2HG   GLN  28          1HG       GLN  28   1.705   6.136  -3.167
  197   1HE2  GLN  28          1HE2      GLN  28   3.707   4.999  -3.156
  198   2HE2  GLN  28          2HE2      GLN  28   4.925   5.353  -4.329
  199    H    GLY  29           H        GLY  29  -0.685   2.310  -4.807
  200   1HA   GLY  29          2HA       GLY  29  -3.362   2.326  -5.657
  201   2HA   GLY  29          1HA       GLY  29  -2.349   2.794  -7.016
  202    H    CYS  30           H        CYS  30  -3.459   0.223  -5.047
  203    HA   CYS  30           HA       CYS  30  -1.507  -1.703  -5.891
  204   1HB   CYS  30          2HB       CYS  30  -3.028  -3.322  -4.721
  205   2HB   CYS  30          1HB       CYS  30  -2.473  -1.986  -3.725
  206    H    THR  31           H        THR  31  -4.183  -3.522  -6.086
  207    HA   THR  31           HA       THR  31  -4.194  -3.410  -9.008
  208    HB   THR  31           HB       THR  31  -5.076  -5.678  -8.938
  209    HG1  THR  31           1HG      THR  31  -4.986  -5.483  -6.109
  210   1HG2  THR  31          1HG2      THR  31  -2.582  -5.257  -8.552
  211   2HG2  THR  31          2HG2      THR  31  -3.228  -6.849  -8.161
  212   3HG2  THR  31          3HG2      THR  31  -2.909  -5.687  -6.874
  Start of MODEL    2
    1   1H    THR   1          1HT       THR   1  -9.955   0.654  -1.398
    2   2H    THR   1          2HT       THR   1  -8.682  -0.377  -1.910
    3   3H    THR   1          3HT       THR   1  -9.949   0.027  -2.994
    4    HA   THR   1           HA       THR   1  -8.204   1.331  -3.651
    5    HB   THR   1           HB       THR   1  -8.941   3.655  -2.702
    6    HG1  THR   1           1HG      THR   1 -10.202   3.480  -1.046
    7   1HG2  THR   1          1HG2      THR   1 -10.705   1.793  -4.241
    8   2HG2  THR   1          2HG2      THR   1  -9.749   3.157  -4.821
    9   3HG2  THR   1          3HG2      THR   1 -11.204   3.443  -3.867
   10    HA   PRO   2           HA       PRO   2  -4.874   2.121  -0.829
   11   1HB   PRO   2          2HB       PRO   2  -3.516   4.053  -2.089
   12   2HB   PRO   2          1HB       PRO   2  -3.682   2.444  -2.800
   13   1HG   PRO   2          2HG       PRO   2  -5.178   4.959  -3.427
   14   2HG   PRO   2          1HG       PRO   2  -4.527   3.738  -4.535
   15   1HD   PRO   2          2HD       PRO   2  -7.159   3.872  -3.735
   16   2HD   PRO   2          1HD       PRO   2  -6.361   2.396  -4.315
   17    H    TYR   3           H        TYR   3  -7.247   3.379   0.068
   18    HA   TYR   3           HA       TYR   3  -6.393   6.044   0.906
   19   1HB   TYR   3          2HB       TYR   3  -8.951   4.762   0.445
   20   2HB   TYR   3          1HB       TYR   3  -8.890   5.481   2.049
   21    HD1  TYR   3           1HD      TYR   3  -7.343   7.902   1.695
   22    HD2  TYR   3           2HD      TYR   3 -10.210   6.147  -0.916
   23    HE1  TYR   3           1HE      TYR   3  -7.806  10.113   0.725
   24    HE2  TYR   3           2HE      TYR   3 -10.678   8.352  -1.893
   25    HH   TYR   3           HH       TYR   3 -10.476  10.776  -1.163
   26    HA   PRO   4           HA       PRO   4  -6.708   3.840   5.071
   27   1HB   PRO   4          2HB       PRO   4  -8.150   1.637   5.425
   28   2HB   PRO   4          1HB       PRO   4  -8.940   3.193   5.139
   29   1HG   PRO   4          2HG       PRO   4  -8.571   0.890   3.295
   30   2HG   PRO   4          1HG       PRO   4  -9.901   2.056   3.387
   31   1HD   PRO   4          2HD       PRO   4  -7.683   2.106   1.611
   32   2HD   PRO   4          1HD       PRO   4  -8.921   3.359   1.817
   33    H    VAL   5           H        VAL   5  -5.303   2.395   2.469
   34    HA   VAL   5           HA       VAL   5  -4.255   0.095   3.954
   35    HB   VAL   5           HB       VAL   5  -3.088   0.433   1.319
   36   1HG1  VAL   5          1HG1      VAL   5  -3.157  -1.798   1.362
   37   2HG1  VAL   5          2HG1      VAL   5  -4.868  -1.835   1.786
   38   3HG1  VAL   5          3HG1      VAL   5  -3.652  -1.610   3.043
   39   1HG2  VAL   5          1HG2      VAL   5  -6.094   0.132   1.413
   40   2HG2  VAL   5          2HG2      VAL   5  -5.076   0.020  -0.022
   41   3HG2  VAL   5          3HG2      VAL   5  -5.235   1.557   0.830
   42    H    ASN   6           H        ASN   6  -2.776   0.790   5.363
   43    HA   ASN   6           HA       ASN   6  -0.773   2.748   4.570
   44   1HB   ASN   6          2HB       ASN   6  -0.008   2.516   6.966
   45   2HB   ASN   6          1HB       ASN   6  -1.646   3.117   6.755
   46   1HD2  ASN   6          1HD2      ASN   6  -1.951   2.473   8.970
   47   2HD2  ASN   6          2HD2      ASN   6  -2.312   0.826   9.343
   48    H    CYS   7           H        CYS   7   1.542   2.307   5.227
   49    HA   CYS   7           HA       CYS   7   2.556  -0.290   5.534
   50   1HB   CYS   7          2HB       CYS   7   3.524  -0.593   3.206
   51   2HB   CYS   7          1HB       CYS   7   1.800  -0.892   3.356
   52    H    LYS   8           H        LYS   8   4.906  -0.448   4.765
   53    HA   LYS   8           HA       LYS   8   6.253   2.151   5.081
   54   1HB   LYS   8          2HB       LYS   8   7.324  -0.497   6.072
   55   2HB   LYS   8          1HB       LYS   8   7.982   1.102   6.379
   56   1HG   LYS   8          2HG       LYS   8   5.416   1.296   7.351
   57   2HG   LYS   8          1HG       LYS   8   5.883  -0.353   7.769
   58   1HD   LYS   8          2HD       LYS   8   8.014   0.633   8.716
   59   2HD   LYS   8          1HD       LYS   8   7.258   2.216   8.528
   60   1HE   LYS   8          2HE       LYS   8   5.865   1.904  10.273
   61   2HE   LYS   8          1HE       LYS   8   5.606   0.204   9.890
   62   1HZ   LYS   8          1HZ       LYS   8   7.313  -0.449  11.197
   63   2HZ   LYS   8          2HZ       LYS   8   6.961   0.994  12.007
   64   3HZ   LYS   8          3HZ       LYS   8   8.242   0.936  10.904
   65    H    THR   9           H        THR   9   6.511  -1.162   3.820
   66    HA   THR   9           HA       THR   9   8.321  -0.178   1.715
   67    HB   THR   9           HB       THR   9   8.920  -2.664   1.488
   68    HG1  THR   9           1HG      THR   9   7.411  -3.685   2.679
   69   1HG2  THR   9          1HG2      THR   9   9.660  -1.268   4.048
   70   2HG2  THR   9          2HG2      THR   9  10.484  -1.114   2.497
   71   3HG2  THR   9          3HG2      THR   9  10.496  -2.656   3.351
   72    H    ASP  10           H        ASP  10   8.138  -1.990  -0.220
   73    HA   ASP  10           HA       ASP  10   5.726  -1.419  -1.513
   74   1HB   ASP  10          2HB       ASP  10   8.064  -3.145  -2.060
   75   2HB   ASP  10          1HB       ASP  10   6.580  -3.584  -2.899
   76    H    ARG  11           H        ARG  11   6.794  -4.661  -0.435
   77    HA   ARG  11           HA       ARG  11   4.210  -5.800  -0.759
   78   1HB   ARG  11          2HB       ARG  11   6.819  -6.717   0.333
   79   2HB   ARG  11          1HB       ARG  11   5.383  -7.634   0.762
   80   1HG   ARG  11          2HG       ARG  11   5.520  -8.702  -1.167
   81   2HG   ARG  11          1HG       ARG  11   5.235  -7.178  -2.010
   82   1HD   ARG  11          2HD       ARG  11   7.981  -7.531  -1.049
   83   2HD   ARG  11          1HD       ARG  11   7.475  -8.720  -2.250
   84    HE   ARG  11           HE       ARG  11   6.827  -6.036  -3.009
   85   1HH1  ARG  11          1HH1      ARG  11   9.394  -8.415  -2.962
   86   2HH1  ARG  11          2HH1      ARG  11  10.242  -7.710  -4.296
   87   1HH2  ARG  11          1HH2      ARG  11   7.949  -5.106  -4.766
   88   2HH2  ARG  11          2HH2      ARG  11   9.421  -5.830  -5.321
   89    H    ASP  12           H        ASP  12   4.992  -3.585   1.507
   90    HA   ASP  12           HA       ASP  12   3.908  -4.865   3.845
   91   1HB   ASP  12          2HB       ASP  12   5.042  -2.228   3.185
   92   2HB   ASP  12          1HB       ASP  12   3.756  -2.192   4.384
   93    H    CYS  13           H        CYS  13   2.774  -2.980   1.170
   94    HA   CYS  13           HA       CYS  13   0.130  -2.661   2.346
   95   1HB   CYS  13          2HB       CYS  13   1.610  -1.086   0.637
   96   2HB   CYS  13          1HB       CYS  13   0.484  -1.881  -0.456
   97    H    VAL  14           H        VAL  14   1.384  -5.308   1.536
   98    HA   VAL  14           HA       VAL  14   0.331  -6.360  -0.781
   99    HB   VAL  14           HB       VAL  14   1.883  -7.468   0.930
  100   1HG1  VAL  14          1HG1      VAL  14   1.092  -8.516   2.774
  101   2HG1  VAL  14          2HG1      VAL  14  -0.475  -8.867   2.042
  102   3HG1  VAL  14          3HG1      VAL  14  -0.133  -7.253   2.666
  103   1HG2  VAL  14          1HG2      VAL  14   1.511  -8.750  -0.929
  104   2HG2  VAL  14          2HG2      VAL  14  -0.236  -8.798  -0.686
  105   3HG2  VAL  14          3HG2      VAL  14   0.821  -9.787   0.320
  106    H    MET  15           H        MET  15  -1.339  -5.545   2.176
  107    HA   MET  15           HA       MET  15  -3.648  -7.097   1.933
  108   1HB   MET  15          2HB       MET  15  -3.157  -4.362   3.102
  109   2HB   MET  15          1HB       MET  15  -4.754  -5.099   3.127
  110   1HG   MET  15          2HG       MET  15  -4.086  -5.877   5.116
  111   2HG   MET  15          1HG       MET  15  -3.283  -7.113   4.147
  112   1HE   MET  15          1HE       MET  15  -2.433  -6.541   7.090
  113   2HE   MET  15          2HE       MET  15  -0.675  -6.442   6.981
  114   3HE   MET  15          3HE       MET  15  -1.549  -7.683   6.080
  115    H    CYS  16           H        CYS  16  -2.567  -4.336   0.118
  116    HA   CYS  16           HA       CYS  16  -5.155  -3.785  -1.051
  117   1HB   CYS  16          2HB       CYS  16  -3.209  -2.112  -0.587
  118   2HB   CYS  16          1HB       CYS  16  -2.543  -2.719  -2.098
  119    H    GLY  17           H        GLY  17  -2.055  -5.232  -2.094
  120   1HA   GLY  17          2HA       GLY  17  -3.369  -7.005  -3.897
  121   2HA   GLY  17          1HA       GLY  17  -2.649  -5.665  -4.773
  122    H    LEU  18           H        LEU  18  -1.505  -7.569  -5.741
  123    HA   LEU  18           HA       LEU  18   0.654  -8.653  -4.137
  124   1HB   LEU  18          2HB       LEU  18  -0.329  -9.237  -6.919
  125   2HB   LEU  18          1HB       LEU  18   1.166  -9.906  -6.295
  126    HG   LEU  18           HG       LEU  18  -1.239 -10.323  -4.620
  127   1HD1  LEU  18          1HD1      LEU  18  -0.992 -11.325  -7.405
  128   2HD1  LEU  18          2HD1      LEU  18  -2.429 -10.904  -6.473
  129   3HD1  LEU  18          3HD1      LEU  18  -1.599 -12.431  -6.171
  130   1HD2  LEU  18          1HD2      LEU  18   0.570 -11.409  -3.739
  131   2HD2  LEU  18          2HD2      LEU  18   1.288 -11.732  -5.316
  132   3HD2  LEU  18          3HD2      LEU  18  -0.084 -12.690  -4.760
  133    H    GLY  19           H        GLY  19   1.771  -6.701  -3.843
  134   1HA   GLY  19          2HA       GLY  19   3.905  -5.764  -4.423
  135   2HA   GLY  19          1HA       GLY  19   3.515  -6.018  -6.119
  136    H    ILE  20           H        ILE  20   2.792  -4.059  -3.278
  137    HA   ILE  20           HA       ILE  20   1.595  -2.019  -5.026
  138    HB   ILE  20           HB       ILE  20   1.347  -1.846  -2.078
  139   1HG1  ILE  20          2HG1      ILE  20   0.911  -4.172  -2.308
  140   2HG1  ILE  20          1HG1      ILE  20  -0.648  -3.366  -2.158
  141   1HG2  ILE  20          1HG2      ILE  20   0.265  -0.110  -3.153
  142   2HG2  ILE  20          2HG2      ILE  20  -1.044  -1.257  -2.878
  143   3HG2  ILE  20          3HG2      ILE  20  -0.295  -1.140  -4.470
  144   1HD1  ILE  20          1HD1      ILE  20   0.232  -5.109  -4.193
  145   2HD1  ILE  20          2HD1      ILE  20   0.001  -3.519  -4.917
  146   3HD1  ILE  20          3HD1      ILE  20  -1.321  -4.290  -4.046
  147    H    SER  21           H        SER  21   2.292   0.077  -4.985
  148    HA   SER  21           HA       SER  21   4.931   0.547  -3.880
  149   1HB   SER  21          2HB       SER  21   4.417   2.905  -4.950
  150   2HB   SER  21          1HB       SER  21   4.807   1.531  -5.984
  151    HG   SER  21           HG       SER  21   2.991   2.377  -6.853
  152    H    CYS  22           H        CYS  22   5.333   1.638  -2.026
  153    HA   CYS  22           HA       CYS  22   3.003   2.624  -0.556
  154   1HB   CYS  22          2HB       CYS  22   4.747   0.928   0.373
  155   2HB   CYS  22          1HB       CYS  22   5.737   2.358   0.644
  156    H    LYS  23           H        LYS  23   2.625   4.687  -0.213
  157    HA   LYS  23           HA       LYS  23   4.619   6.675  -1.018
  158   1HB   LYS  23          2HB       LYS  23   2.824   8.242  -1.153
  159   2HB   LYS  23          1HB       LYS  23   2.268   6.764  -1.922
  160   1HG   LYS  23          2HG       LYS  23   1.215   6.219   0.363
  161   2HG   LYS  23          1HG       LYS  23   1.458   7.931   0.712
  162   1HD   LYS  23          2HD       LYS  23   0.287   8.301  -1.571
  163   2HD   LYS  23          1HD       LYS  23  -0.286   6.647  -1.351
  164   1HE   LYS  23          2HE       LYS  23  -1.801   7.274   0.163
  165   2HE   LYS  23          1HE       LYS  23  -0.629   8.255   1.043
  166   1HZ   LYS  23          1HZ       LYS  23  -2.692   9.308  -0.194
  167   2HZ   LYS  23          2HZ       LYS  23  -1.617   9.304  -1.500
  168   3HZ   LYS  23          3HZ       LYS  23  -1.214  10.122  -0.074
  169    H    ASN  24           H        ASN  24   3.457   8.743   0.633
  170    HA   ASN  24           HA       ASN  24   5.091   8.719   2.831
  171   1HB   ASN  24          2HB       ASN  24   3.781  10.666   1.737
  172   2HB   ASN  24          1HB       ASN  24   2.492  10.224   2.850
  173   1HD2  ASN  24          1HD2      ASN  24   3.474  12.697   3.026
  174   2HD2  ASN  24          2HD2      ASN  24   4.454  12.881   4.437
  175    H    GLY  25           H        GLY  25   4.478   6.368   3.344
  176   1HA   GLY  25          2HA       GLY  25   3.916   5.024   5.141
  177   2HA   GLY  25          1HA       GLY  25   3.054   6.378   5.849
  178    H    TYR  26           H        TYR  26   2.177   5.664   2.584
  179    HA   TYR  26           HA       TYR  26   0.003   3.913   3.452
  180   1HB   TYR  26          2HB       TYR  26  -0.411   6.617   2.183
  181   2HB   TYR  26          1HB       TYR  26  -1.654   5.366   2.190
  182    HD1  TYR  26           1HD      TYR  26  -0.600   8.220   3.823
  183    HD2  TYR  26           2HD      TYR  26  -1.959   4.277   4.653
  184    HE1  TYR  26           1HE      TYR  26  -1.317   8.944   6.061
  185    HE2  TYR  26           2HE      TYR  26  -2.673   4.983   6.890
  186    HH   TYR  26           HH       TYR  26  -2.038   6.851   8.531
  187    H    CYS  27           H        CYS  27  -1.518   3.599   1.366
  188    HA   CYS  27           HA       CYS  27   0.199   2.294  -0.553
  189   1HB   CYS  27          2HB       CYS  27  -2.450   1.940   0.428
  190   2HB   CYS  27          1HB       CYS  27  -2.551   2.166  -1.311
  191    H    GLN  28           H        GLN  28   0.456   2.777  -2.676
  192    HA   GLN  28           HA       GLN  28  -0.339   5.446  -3.531
  193   1HB   GLN  28          2HB       GLN  28   1.719   3.462  -4.330
  194   2HB   GLN  28          1HB       GLN  28   1.096   4.496  -5.600
  195   1HG   GLN  28          2HG       GLN  28   1.626   6.440  -4.029
  196   2HG   GLN  28          1HG       GLN  28   2.574   5.268  -3.115
  197   1HE2  GLN  28          1HE2      GLN  28   4.600   4.877  -3.745
  198   2HE2  GLN  28          2HE2      GLN  28   5.302   5.408  -5.231
  199    H    GLY  29           H        GLY  29  -0.596   2.074  -4.620
  200   1HA   GLY  29          2HA       GLY  29  -3.190   2.117  -5.521
  201   2HA   GLY  29          1HA       GLY  29  -2.230   2.667  -6.889
  202    H    CYS  30           H        CYS  30  -3.316  -0.027  -5.121
  203    HA   CYS  30           HA       CYS  30  -1.294  -1.856  -6.036
  204   1HB   CYS  30          2HB       CYS  30  -2.789  -3.583  -4.986
  205   2HB   CYS  30          1HB       CYS  30  -2.270  -2.302  -3.902
  206    H    THR  31           H        THR  31  -3.949  -3.710  -6.375
  207    HA   THR  31           HA       THR  31  -3.898  -3.438  -9.286
  208    HB   THR  31           HB       THR  31  -4.569  -5.704  -9.420
  209    HG1  THR  31           1HG      THR  31  -6.200  -5.889  -7.983
  210   1HG2  THR  31          1HG2      THR  31  -3.108  -6.368  -7.030
  211   2HG2  THR  31          2HG2      THR  31  -2.305  -5.080  -7.929
  212   3HG2  THR  31          3HG2      THR  31  -2.675  -6.610  -8.723
  Start of MODEL    3
    1   1H    THR   1          1HT       THR   1  -9.037  -0.303  -3.904
    2   2H    THR   1          2HT       THR   1  -8.140  -0.876  -2.558
    3   3H    THR   1          3HT       THR   1  -7.350  -0.013  -3.816
    4    HA   THR   1           HA       THR   1  -8.619   1.937  -3.291
    5    HB   THR   1           HB       THR   1  -9.676   1.604  -0.828
    6    HG1  THR   1           1HG      THR   1 -10.595  -0.363  -0.604
    7   1HG2  THR   1          1HG2      THR   1 -11.603   0.660  -2.777
    8   2HG2  THR   1          2HG2      THR   1 -10.717   2.084  -3.324
    9   3HG2  THR   1          3HG2      THR   1 -11.599   2.126  -1.797
   10    HA   PRO   2           HA       PRO   2  -4.775   1.920  -0.779
   11   1HB   PRO   2          2HB       PRO   2  -3.464   3.810  -2.140
   12   2HB   PRO   2          1HB       PRO   2  -3.620   2.171  -2.786
   13   1HG   PRO   2          2HG       PRO   2  -5.160   4.640  -3.487
   14   2HG   PRO   2          1HG       PRO   2  -4.508   3.387  -4.557
   15   1HD   PRO   2          2HD       PRO   2  -7.132   3.515  -3.714
   16   2HD   PRO   2          1HD       PRO   2  -6.322   2.035  -4.267
   17    H    TYR   3           H        TYR   3  -7.190   3.190   0.035
   18    HA   TYR   3           HA       TYR   3  -6.371   5.898   0.752
   19   1HB   TYR   3          2HB       TYR   3  -8.983   4.417   0.839
   20   2HB   TYR   3          1HB       TYR   3  -8.760   5.892   1.774
   21    HD1  TYR   3           1HD      TYR   3  -8.524   4.538  -1.686
   22    HD2  TYR   3           2HD      TYR   3  -9.086   7.978   0.755
   23    HE1  TYR   3           1HE      TYR   3  -9.058   5.862  -3.687
   24    HE2  TYR   3           2HE      TYR   3  -9.623   9.312  -1.240
   25    HH   TYR   3           HH       TYR   3 -10.382   7.988  -4.193
   26    HA   PRO   4           HA       PRO   4  -6.616   3.887   5.012
   27   1HB   PRO   4          2HB       PRO   4  -8.050   1.701   5.488
   28   2HB   PRO   4          1HB       PRO   4  -8.849   3.235   5.120
   29   1HG   PRO   4          2HG       PRO   4  -8.519   0.826   3.426
   30   2HG   PRO   4          1HG       PRO   4  -9.804   2.044   3.413
   31   1HD   PRO   4          2HD       PRO   4  -7.503   1.891   1.711
   32   2HD   PRO   4          1HD       PRO   4  -8.769   3.129   1.724
   33    H    VAL   5           H        VAL   5  -5.167   2.372   2.511
   34    HA   VAL   5           HA       VAL   5  -4.156   0.095   4.043
   35    HB   VAL   5           HB       VAL   5  -2.956   0.491   1.406
   36   1HG1  VAL   5          1HG1      VAL   5  -3.182  -1.560   3.095
   37   2HG1  VAL   5          2HG1      VAL   5  -2.972  -1.769   1.357
   38   3HG1  VAL   5          3HG1      VAL   5  -4.581  -1.886   2.072
   39   1HG2  VAL   5          1HG2      VAL   5  -4.923  -0.094   0.095
   40   2HG2  VAL   5          2HG2      VAL   5  -5.184   1.440   0.925
   41   3HG2  VAL   5          3HG2      VAL   5  -5.929  -0.033   1.542
   42    H    ASN   6           H        ASN   6  -2.678   0.702   5.459
   43    HA   ASN   6           HA       ASN   6  -0.686   2.718   4.787
   44   1HB   ASN   6          2HB       ASN   6   0.070   2.330   7.182
   45   2HB   ASN   6          1HB       ASN   6  -1.550   2.983   6.980
   46   1HD2  ASN   6          1HD2      ASN   6   0.301   0.097   7.728
   47   2HD2  ASN   6          2HD2      ASN   6  -0.975  -0.734   8.542
   48    H    CYS   7           H        CYS   7   1.621   2.299   5.335
   49    HA   CYS   7           HA       CYS   7   2.692  -0.291   5.579
   50   1HB   CYS   7          2HB       CYS   7   3.624  -0.539   3.242
   51   2HB   CYS   7          1HB       CYS   7   1.899  -0.830   3.388
   52    H    LYS   8           H        LYS   8   5.038  -0.390   4.829
   53    HA   LYS   8           HA       LYS   8   6.336   2.231   5.182
   54   1HB   LYS   8          2HB       LYS   8   6.939  -0.440   6.399
   55   2HB   LYS   8          1HB       LYS   8   8.271   0.660   6.073
   56   1HG   LYS   8          2HG       LYS   8   6.850   2.391   7.360
   57   2HG   LYS   8          1HG       LYS   8   5.978   0.982   7.965
   58   1HD   LYS   8          2HD       LYS   8   7.879   0.122   9.033
   59   2HD   LYS   8          1HD       LYS   8   8.973   1.156   8.114
   60   1HE   LYS   8          2HE       LYS   8   7.071   1.977  10.304
   61   2HE   LYS   8          1HE       LYS   8   8.832   2.009  10.348
   62   1HZ   LYS   8          1HZ       LYS   8   8.289   4.195   9.933
   63   2HZ   LYS   8          2HZ       LYS   8   6.981   3.813   8.932
   64   3HZ   LYS   8          3HZ       LYS   8   8.563   3.621   8.365
   65    H    THR   9           H        THR   9   6.649  -1.035   3.815
   66    HA   THR   9           HA       THR   9   8.394   0.054   1.706
   67    HB   THR   9           HB       THR   9   8.981  -2.439   1.359
   68    HG1  THR   9           1HG      THR   9   8.104  -2.627   4.047
   69   1HG2  THR   9          1HG2      THR   9  10.469  -0.706   2.436
   70   2HG2  THR   9          2HG2      THR   9  10.780  -2.391   2.854
   71   3HG2  THR   9          3HG2      THR   9   9.922  -1.343   3.985
   72    H    ASP  10           H        ASP  10   8.193  -1.663  -0.305
   73    HA   ASP  10           HA       ASP  10   5.713  -1.090  -1.479
   74   1HB   ASP  10          2HB       ASP  10   6.451  -2.769  -3.250
   75   2HB   ASP  10          1HB       ASP  10   7.524  -1.406  -2.960
   76    H    ARG  11           H        ARG  11   6.942  -4.316  -0.486
   77    HA   ARG  11           HA       ARG  11   4.406  -5.559  -0.896
   78   1HB   ARG  11          2HB       ARG  11   7.059  -6.406   0.139
   79   2HB   ARG  11          1HB       ARG  11   5.668  -7.384   0.590
   80   1HG   ARG  11          2HG       ARG  11   6.335  -6.664  -2.252
   81   2HG   ARG  11          1HG       ARG  11   6.891  -8.138  -1.456
   82   1HD   ARG  11          2HD       ARG  11   4.735  -9.003  -1.281
   83   2HD   ARG  11          1HD       ARG  11   3.982  -7.425  -1.500
   84    HE   ARG  11           HE       ARG  11   4.102  -7.708  -3.770
   85   1HH1  ARG  11          1HH1      ARG  11   6.134 -10.114  -2.235
   86   2HH1  ARG  11          2HH1      ARG  11   6.404 -10.997  -3.699
   87   1HH2  ARG  11          1HH2      ARG  11   4.464  -8.875  -5.697
   88   2HH2  ARG  11          2HH2      ARG  11   5.457 -10.293  -5.666
   89    H    ASP  12           H        ASP  12   5.145  -3.407   1.466
   90    HA   ASP  12           HA       ASP  12   4.059  -4.817   3.730
   91   1HB   ASP  12          2HB       ASP  12   5.143  -2.114   3.228
   92   2HB   ASP  12          1HB       ASP  12   3.869  -2.197   4.437
   93    H    CYS  13           H        CYS  13   2.920  -2.863   1.115
   94    HA   CYS  13           HA       CYS  13   0.271  -2.597   2.298
   95   1HB   CYS  13          2HB       CYS  13   1.740  -0.983   0.594
   96   2HB   CYS  13          1HB       CYS  13   0.576  -1.747  -0.482
   97    H    VAL  14           H        VAL  14   1.533  -5.220   1.460
   98    HA   VAL  14           HA       VAL  14   0.509  -6.250  -0.878
   99    HB   VAL  14           HB       VAL  14   2.024  -7.360   0.911
  100   1HG1  VAL  14          1HG1      VAL  14   0.341  -7.296   2.716
  101   2HG1  VAL  14          2HG1      VAL  14   0.948  -8.921   2.400
  102   3HG1  VAL  14          3HG1      VAL  14  -0.643  -8.443   1.807
  103   1HG2  VAL  14          1HG2      VAL  14   1.787  -8.528  -1.062
  104   2HG2  VAL  14          2HG2      VAL  14   0.040  -8.696  -0.879
  105   3HG2  VAL  14          3HG2      VAL  14   1.129  -9.669   0.110
  106    H    MET  15           H        MET  15  -1.194  -5.502   2.086
  107    HA   MET  15           HA       MET  15  -3.504  -7.035   1.791
  108   1HB   MET  15          2HB       MET  15  -2.889  -4.414   3.091
  109   2HB   MET  15          1HB       MET  15  -4.573  -4.883   2.914
  110   1HG   MET  15          2HG       MET  15  -2.952  -7.034   3.977
  111   2HG   MET  15          1HG       MET  15  -2.870  -5.581   4.968
  112   1HE   MET  15          1HE       MET  15  -4.688  -4.414   6.012
  113   2HE   MET  15          2HE       MET  15  -4.556  -5.756   7.148
  114   3HE   MET  15          3HE       MET  15  -6.144  -5.203   6.617
  115    H    CYS  16           H        CYS  16  -2.415  -4.228   0.041
  116    HA   CYS  16           HA       CYS  16  -4.991  -3.683  -1.156
  117   1HB   CYS  16          2HB       CYS  16  -3.059  -2.002  -0.630
  118   2HB   CYS  16          1HB       CYS  16  -2.385  -2.561  -2.156
  119    H    GLY  17           H        GLY  17  -1.860  -5.070  -2.191
  120   1HA   GLY  17          2HA       GLY  17  -3.119  -6.838  -4.027
  121   2HA   GLY  17          1HA       GLY  17  -2.445  -5.464  -4.885
  122    H    LEU  18           H        LEU  18  -1.263  -7.340  -5.882
  123    HA   LEU  18           HA       LEU  18   0.947  -8.374  -4.312
  124   1HB   LEU  18          2HB       LEU  18   0.112  -8.933  -7.156
  125   2HB   LEU  18          1HB       LEU  18   1.452  -9.709  -6.335
  126    HG   LEU  18           HG       LEU  18  -1.198  -9.897  -5.015
  127   1HD1  LEU  18          1HD1      LEU  18  -1.291 -10.320  -7.646
  128   2HD1  LEU  18          2HD1      LEU  18  -2.213 -11.280  -6.491
  129   3HD1  LEU  18          3HD1      LEU  18  -0.691 -11.897  -7.135
  130   1HD2  LEU  18          1HD2      LEU  18  -0.354 -11.849  -4.145
  131   2HD2  LEU  18          2HD2      LEU  18   1.123 -10.909  -4.352
  132   3HD2  LEU  18          3HD2      LEU  18   0.693 -12.145  -5.533
  133    H    GLY  19           H        GLY  19   1.993  -6.368  -4.024
  134   1HA   GLY  19          2HA       GLY  19   4.106  -5.381  -4.645
  135   2HA   GLY  19          1HA       GLY  19   3.664  -5.600  -6.334
  136    H    ILE  20           H        ILE  20   2.980  -3.749  -3.413
  137    HA   ILE  20           HA       ILE  20   1.653  -1.700  -5.053
  138    HB   ILE  20           HB       ILE  20   1.512  -1.648  -2.086
  139   1HG1  ILE  20          2HG1      ILE  20   1.094  -3.963  -2.403
  140   2HG1  ILE  20          1HG1      ILE  20  -0.473  -3.187  -2.187
  141   1HG2  ILE  20          1HG2      ILE  20   0.346   0.115  -2.973
  142   2HG2  ILE  20          2HG2      ILE  20  -0.933  -1.089  -2.821
  143   3HG2  ILE  20          3HG2      ILE  20  -0.174  -0.801  -4.386
  144   1HD1  ILE  20          1HD1      ILE  20  -1.167  -4.062  -4.090
  145   2HD1  ILE  20          2HD1      ILE  20   0.405  -4.820  -4.322
  146   3HD1  ILE  20          3HD1      ILE  20   0.100  -3.206  -4.961
  147    H    SER  21           H        SER  21   2.188   0.465  -4.848
  148    HA   SER  21           HA       SER  21   4.884   0.987  -3.882
  149   1HB   SER  21          2HB       SER  21   2.953   2.848  -5.298
  150   2HB   SER  21          1HB       SER  21   4.663   3.153  -4.997
  151    HG   SER  21           HG       SER  21   3.784   2.148  -7.135
  152    H    CYS  22           H        CYS  22   5.313   1.991  -1.990
  153    HA   CYS  22           HA       CYS  22   3.009   2.834  -0.398
  154   1HB   CYS  22          2HB       CYS  22   4.842   1.154   0.387
  155   2HB   CYS  22          1HB       CYS  22   5.789   2.604   0.703
  156    H    LYS  23           H        LYS  23   2.602   4.851   0.132
  157    HA   LYS  23           HA       LYS  23   4.450   6.966  -0.695
  158   1HB   LYS  23          2HB       LYS  23   2.597   8.444  -0.660
  159   2HB   LYS  23          1HB       LYS  23   1.988   6.958  -1.371
  160   1HG   LYS  23          2HG       LYS  23   1.429   6.541   1.250
  161   2HG   LYS  23          1HG       LYS  23   1.256   8.293   1.137
  162   1HD   LYS  23          2HD       LYS  23  -0.003   7.214  -1.137
  163   2HD   LYS  23          1HD       LYS  23  -0.516   6.228   0.232
  164   1HE   LYS  23          2HE       LYS  23  -1.464   8.048   1.343
  165   2HE   LYS  23          1HE       LYS  23  -0.569   9.222   0.378
  166   1HZ   LYS  23          1HZ       LYS  23  -3.064   8.799  -0.097
  167   2HZ   LYS  23          2HZ       LYS  23  -2.509   7.437  -0.934
  168   3HZ   LYS  23          3HZ       LYS  23  -1.994   8.981  -1.394
  169    H    ASN  24           H        ASN  24   3.382   8.894   1.165
  170    HA   ASN  24           HA       ASN  24   5.158   8.696   3.267
  171   1HB   ASN  24          2HB       ASN  24   3.709  10.714   2.303
  172   2HB   ASN  24          1HB       ASN  24   2.678  10.300   3.669
  173   1HD2  ASN  24          1HD2      ASN  24   3.195  12.415   4.472
  174   2HD2  ASN  24          2HD2      ASN  24   4.682  12.681   5.311
  175    H    GLY  25           H        GLY  25   4.532   6.373   3.694
  176   1HA   GLY  25          2HA       GLY  25   3.989   4.940   5.429
  177   2HA   GLY  25          1HA       GLY  25   3.135   6.258   6.214
  178    H    TYR  26           H        TYR  26   2.270   5.643   2.906
  179    HA   TYR  26           HA       TYR  26   0.073   3.894   3.708
  180   1HB   TYR  26          2HB       TYR  26  -0.327   6.653   2.562
  181   2HB   TYR  26          1HB       TYR  26  -1.577   5.413   2.513
  182    HD1  TYR  26           1HD      TYR  26  -1.939   4.221   4.898
  183    HD2  TYR  26           2HD      TYR  26  -0.444   8.161   4.306
  184    HE1  TYR  26           1HE      TYR  26  -2.632   4.816   7.175
  185    HE2  TYR  26           2HE      TYR  26  -1.142   8.772   6.583
  186    HH   TYR  26           HH       TYR  26  -3.242   6.934   8.427
  187    H    CYS  27           H        CYS  27  -1.476   3.744   1.574
  188    HA   CYS  27           HA       CYS  27   0.253   2.504  -0.398
  189   1HB   CYS  27          2HB       CYS  27  -2.357   2.022   0.615
  190   2HB   CYS  27          1HB       CYS  27  -2.509   2.328  -1.107
  191    H    GLN  28           H        GLN  28   0.521   3.104  -2.470
  192    HA   GLN  28           HA       GLN  28  -0.412   5.753  -3.247
  193   1HB   GLN  28          2HB       GLN  28   1.782   3.939  -4.042
  194   2HB   GLN  28          1HB       GLN  28   1.084   4.885  -5.343
  195   1HG   GLN  28          2HG       GLN  28   1.450   6.913  -3.862
  196   2HG   GLN  28          1HG       GLN  28   2.446   5.859  -2.858
  197   1HE2  GLN  28          1HE2      GLN  28   4.452   5.240  -3.568
  198   2HE2  GLN  28          2HE2      GLN  28   5.191   5.877  -4.993
  199    H    GLY  29           H        GLY  29  -0.515   2.403  -4.436
  200   1HA   GLY  29          2HA       GLY  29  -3.091   2.377  -5.381
  201   2HA   GLY  29          1HA       GLY  29  -2.131   3.003  -6.715
  202    H    CYS  30           H        CYS  30  -3.164   0.224  -5.067
  203    HA   CYS  30           HA       CYS  30  -1.062  -1.518  -5.970
  204   1HB   CYS  30          2HB       CYS  30  -2.579  -3.323  -5.062
  205   2HB   CYS  30          1HB       CYS  30  -2.093  -2.093  -3.906
  206    H    THR  31           H        THR  31  -3.694  -3.396  -6.484
  207    HA   THR  31           HA       THR  31  -3.500  -3.047  -9.383
  208    HB   THR  31           HB       THR  31  -4.159  -5.318  -9.611
  209    HG1  THR  31           1HG      THR  31  -5.002  -5.127  -6.919
  210   1HG2  THR  31          1HG2      THR  31  -1.885  -5.236  -8.865
  211   2HG2  THR  31          2HG2      THR  31  -2.688  -6.604  -8.093
  212   3HG2  THR  31          3HG2      THR  31  -2.394  -5.124  -7.182
  Start of MODEL    4
    1   1H    THR   1          1HT       THR   1 -10.058   0.559  -2.992
    2   2H    THR   1          2HT       THR   1  -9.745   0.624  -1.306
    3   3H    THR   1          3HT       THR   1  -8.562  -0.005  -2.377
    4    HA   THR   1           HA       THR   1  -8.433   2.159  -3.448
    5    HB   THR   1           HB       THR   1 -10.688   2.903  -2.754
    6    HG1  THR   1           1HG      THR   1  -9.826   4.760  -3.137
    7   1HG2  THR   1          1HG2      THR   1 -11.209   2.438  -0.611
    8   2HG2  THR   1          2HG2      THR   1 -10.568   4.062  -0.357
    9   3HG2  THR   1          3HG2      THR   1  -9.555   2.653  -0.040
   10    HA   PRO   2           HA       PRO   2  -4.957   2.362  -0.678
   11   1HB   PRO   2          2HB       PRO   2  -3.567   4.332  -1.837
   12   2HB   PRO   2          1HB       PRO   2  -3.811   2.783  -2.652
   13   1HG   PRO   2          2HG       PRO   2  -5.222   5.387  -3.064
   14   2HG   PRO   2          1HG       PRO   2  -4.661   4.215  -4.269
   15   1HD   PRO   2          2HD       PRO   2  -7.259   4.408  -3.363
   16   2HD   PRO   2          1HD       PRO   2  -6.551   2.948  -4.079
   17    H    TYR   3           H        TYR   3  -7.275   3.677   0.343
   18    HA   TYR   3           HA       TYR   3  -6.270   6.216   1.374
   19   1HB   TYR   3          2HB       TYR   3  -8.906   5.051   0.918
   20   2HB   TYR   3          1HB       TYR   3  -8.758   5.771   2.518
   21    HD1  TYR   3           1HD      TYR   3  -7.708   8.186   2.560
   22    HD2  TYR   3           2HD      TYR   3  -9.505   6.410  -0.865
   23    HE1  TYR   3           1HE      TYR   3  -8.065  10.419   1.596
   24    HE2  TYR   3           2HE      TYR   3  -9.866   8.640  -1.837
   25    HH   TYR   3           HH       TYR   3  -8.413  11.174  -1.224
   26    HA   PRO   4           HA       PRO   4  -6.652   3.725   5.370
   27   1HB   PRO   4          2HB       PRO   4  -8.146   1.532   5.563
   28   2HB   PRO   4          1HB       PRO   4  -8.894   3.128   5.425
   29   1HG   PRO   4          2HG       PRO   4  -8.625   0.983   3.385
   30   2HG   PRO   4          1HG       PRO   4  -9.915   2.176   3.601
   31   1HD   PRO   4          2HD       PRO   4  -7.735   2.312   1.790
   32   2HD   PRO   4          1HD       PRO   4  -8.921   3.584   2.137
   33    H    VAL   5           H        VAL   5  -5.349   2.405   2.632
   34    HA   VAL   5           HA       VAL   5  -4.250   0.048   3.996
   35    HB   VAL   5           HB       VAL   5  -3.202   0.214   1.359
   36   1HG1  VAL   5          1HG1      VAL   5  -4.833  -1.821   1.141
   37   2HG1  VAL   5          2HG1      VAL   5  -5.042  -1.576   2.875
   38   3HG1  VAL   5          3HG1      VAL   5  -3.439  -1.899   2.217
   39   1HG2  VAL   5          1HG2      VAL   5  -5.124   0.307  -0.048
   40   2HG2  VAL   5          2HG2      VAL   5  -5.153   1.756   0.952
   41   3HG2  VAL   5          3HG2      VAL   5  -6.213   0.401   1.336
   42    H    ASN   6           H        ASN   6  -2.717   0.824   5.330
   43    HA   ASN   6           HA       ASN   6  -0.733   2.717   4.357
   44   1HB   ASN   6          2HB       ASN   6   0.129   2.629   6.702
   45   2HB   ASN   6          1HB       ASN   6  -1.549   3.138   6.574
   46   1HD2  ASN   6          1HD2      ASN   6   0.613   0.951   7.978
   47   2HD2  ASN   6          2HD2      ASN   6  -0.544  -0.079   8.742
   48    H    CYS   7           H        CYS   7   1.595   2.294   4.925
   49    HA   CYS   7           HA       CYS   7   2.592  -0.322   5.262
   50   1HB   CYS   7          2HB       CYS   7   3.524  -0.664   2.946
   51   2HB   CYS   7          1HB       CYS   7   1.785  -0.880   3.079
   52    H    LYS   8           H        LYS   8   4.919  -0.520   4.754
   53    HA   LYS   8           HA       LYS   8   6.291   2.071   5.033
   54   1HB   LYS   8          2HB       LYS   8   7.398  -0.620   5.854
   55   2HB   LYS   8          1HB       LYS   8   8.016   0.969   6.274
   56   1HG   LYS   8          2HG       LYS   8   6.947   0.623   8.208
   57   2HG   LYS   8          1HG       LYS   8   5.511   1.107   7.303
   58   1HD   LYS   8          2HD       LYS   8   4.979  -1.208   6.839
   59   2HD   LYS   8          1HD       LYS   8   6.470  -1.737   7.622
   60   1HE   LYS   8          2HE       LYS   8   5.685  -1.261   9.740
   61   2HE   LYS   8          1HE       LYS   8   4.509  -0.085   9.154
   62   1HZ   LYS   8          1HZ       LYS   8   4.336  -3.037   9.092
   63   2HZ   LYS   8          2HZ       LYS   8   3.358  -2.074   8.103
   64   3HZ   LYS   8          3HZ       LYS   8   3.258  -1.935   9.786
   65    H    THR   9           H        THR   9   6.348  -1.104   3.487
   66    HA   THR   9           HA       THR   9   8.118  -0.027   1.396
   67    HB   THR   9           HB       THR   9   9.102  -2.224   1.097
   68    HG1  THR   9           1HG      THR   9   7.490  -3.621   1.598
   69   1HG2  THR   9          1HG2      THR   9  10.526  -1.469   2.639
   70   2HG2  THR   9          2HG2      THR   9   9.730  -2.625   3.707
   71   3HG2  THR   9          3HG2      THR   9   9.238  -0.931   3.714
   72    H    ASP  10           H        ASP  10   7.901  -1.785  -0.589
   73    HA   ASP  10           HA       ASP  10   5.375  -1.305  -1.699
   74   1HB   ASP  10          2HB       ASP  10   7.526  -3.273  -2.491
   75   2HB   ASP  10          1HB       ASP  10   6.080  -2.984  -3.450
   76    H    ARG  11           H        ARG  11   6.720  -4.473  -0.705
   77    HA   ARG  11           HA       ARG  11   4.232  -5.817  -0.985
   78   1HB   ARG  11          2HB       ARG  11   5.431  -7.644   0.348
   79   2HB   ARG  11          1HB       ARG  11   6.079  -7.206  -1.222
   80   1HG   ARG  11          2HG       ARG  11   7.233  -5.727   1.032
   81   2HG   ARG  11          1HG       ARG  11   7.537  -7.465   1.048
   82   1HD   ARG  11          2HD       ARG  11   8.734  -7.415  -0.917
   83   2HD   ARG  11          1HD       ARG  11   7.933  -5.953  -1.491
   84    HE   ARG  11           HE       ARG  11   9.591  -5.556   0.831
   85   1HH1  ARG  11          1HH1      ARG  11   9.524  -5.627  -2.673
   86   2HH1  ARG  11          2HH1      ARG  11  10.930  -4.631  -2.840
   87   1HH2  ARG  11          1HH2      ARG  11  11.442  -4.250   0.601
   88   2HH2  ARG  11          2HH2      ARG  11  12.020  -3.851  -0.982
   89    H    ASP  12           H        ASP  12   4.991  -3.595   1.322
   90    HA   ASP  12           HA       ASP  12   3.940  -4.949   3.632
   91   1HB   ASP  12          2HB       ASP  12   4.981  -2.244   3.045
   92   2HB   ASP  12          1HB       ASP  12   3.758  -2.330   4.305
   93    H    CYS  13           H        CYS  13   2.727  -2.982   1.038
   94    HA   CYS  13           HA       CYS  13   0.106  -2.735   2.275
   95   1HB   CYS  13          2HB       CYS  13   1.493  -1.118   0.531
   96   2HB   CYS  13          1HB       CYS  13   0.368  -1.945  -0.538
   97    H    VAL  14           H        VAL  14   1.401  -5.357   1.397
   98    HA   VAL  14           HA       VAL  14   0.306  -6.437  -0.871
   99    HB   VAL  14           HB       VAL  14   1.899  -7.506   0.846
  100   1HG1  VAL  14          1HG1      VAL  14  -0.706  -8.537   1.956
  101   2HG1  VAL  14          2HG1      VAL  14   0.354  -7.377   2.757
  102   3HG1  VAL  14          3HG1      VAL  14   0.916  -9.020   2.450
  103   1HG2  VAL  14          1HG2      VAL  14   1.566  -8.766  -1.041
  104   2HG2  VAL  14          2HG2      VAL  14  -0.176  -8.883  -0.791
  105   3HG2  VAL  14          3HG2      VAL  14   0.923  -9.845   0.198
  106    H    MET  15           H        MET  15  -1.344  -5.571   2.069
  107    HA   MET  15           HA       MET  15  -3.610  -7.167   1.995
  108   1HB   MET  15          2HB       MET  15  -3.537  -4.222   2.693
  109   2HB   MET  15          1HB       MET  15  -4.759  -5.381   3.194
  110   1HG   MET  15          2HG       MET  15  -1.867  -5.333   4.022
  111   2HG   MET  15          1HG       MET  15  -3.264  -4.935   5.019
  112   1HE   MET  15          1HE       MET  15  -2.546  -6.700   6.977
  113   2HE   MET  15          2HE       MET  15  -1.079  -6.826   6.005
  114   3HE   MET  15          3HE       MET  15  -1.898  -8.286   6.561
  115    H    CYS  16           H        CYS  16  -2.673  -4.512  -0.079
  116    HA   CYS  16           HA       CYS  16  -5.285  -4.256  -1.299
  117   1HB   CYS  16          2HB       CYS  16  -2.758  -2.792  -1.351
  118   2HB   CYS  16          1HB       CYS  16  -3.460  -2.970  -2.956
  119    H    GLY  17           H        GLY  17  -2.085  -5.551  -2.226
  120   1HA   GLY  17          2HA       GLY  17  -3.237  -7.580  -3.849
  121   2HA   GLY  17          1HA       GLY  17  -2.655  -6.264  -4.854
  122    H    LEU  18           H        LEU  18  -1.308  -8.045  -5.710
  123    HA   LEU  18           HA       LEU  18   0.934  -8.859  -4.054
  124   1HB   LEU  18          2HB       LEU  18   0.564  -9.590  -6.943
  125   2HB   LEU  18          1HB       LEU  18   1.458 -10.449  -5.704
  126    HG   LEU  18           HG       LEU  18  -1.529 -10.171  -5.529
  127   1HD1  LEU  18          1HD1      LEU  18  -0.551 -11.206  -7.749
  128   2HD1  LEU  18          2HD1      LEU  18  -1.933 -11.927  -6.926
  129   3HD1  LEU  18          3HD1      LEU  18  -0.323 -12.616  -6.714
  130   1HD2  LEU  18          1HD2      LEU  18  -1.328 -12.212  -4.211
  131   2HD2  LEU  18          2HD2      LEU  18  -0.319 -10.930  -3.543
  132   3HD2  LEU  18          3HD2      LEU  18   0.414 -12.229  -4.483
  133    H    GLY  19           H        GLY  19   1.845  -6.765  -3.856
  134   1HA   GLY  19          2HA       GLY  19   3.923  -5.710  -4.512
  135   2HA   GLY  19          1HA       GLY  19   3.497  -6.021  -6.190
  136    H    ILE  20           H        ILE  20   2.682  -4.097  -3.346
  137    HA   ILE  20           HA       ILE  20   1.306  -2.163  -5.084
  138    HB   ILE  20           HB       ILE  20   1.078  -2.004  -2.134
  139   1HG1  ILE  20          2HG1      ILE  20   0.842  -4.374  -2.389
  140   2HG1  ILE  20          1HG1      ILE  20  -0.765  -3.691  -2.157
  141   1HG2  ILE  20          1HG2      ILE  20  -1.394  -1.688  -2.986
  142   2HG2  ILE  20          2HG2      ILE  20  -0.578  -1.366  -4.517
  143   3HG2  ILE  20          3HG2      ILE  20  -0.212  -0.385  -3.096
  144   1HD1  ILE  20          1HD1      ILE  20  -1.467  -4.560  -4.063
  145   2HD1  ILE  20          2HD1      ILE  20   0.088  -5.375  -4.211
  146   3HD1  ILE  20          3HD1      ILE  20  -0.153  -3.796  -4.951
  147    H    SER  21           H        SER  21   2.310  -0.285  -5.469
  148    HA   SER  21           HA       SER  21   4.770   0.427  -4.295
  149   1HB   SER  21          2HB       SER  21   2.751   2.042  -5.868
  150   2HB   SER  21          1HB       SER  21   4.296   2.702  -5.333
  151    HG   SER  21           HG       SER  21   4.196   1.742  -7.520
  152    H    CYS  22           H        CYS  22   5.264   1.631  -2.504
  153    HA   CYS  22           HA       CYS  22   2.980   2.441  -0.848
  154   1HB   CYS  22          2HB       CYS  22   4.808   0.792  -0.035
  155   2HB   CYS  22          1HB       CYS  22   5.803   2.231   0.160
  156    H    LYS  23           H        LYS  23   2.544   4.489  -0.477
  157    HA   LYS  23           HA       LYS  23   4.420   6.554  -1.368
  158   1HB   LYS  23          2HB       LYS  23   2.571   8.041  -1.463
  159   2HB   LYS  23          1HB       LYS  23   1.997   6.523  -2.136
  160   1HG   LYS  23          2HG       LYS  23   1.167   6.077   0.296
  161   2HG   LYS  23          1HG       LYS  23   1.303   7.828   0.455
  162   1HD   LYS  23          2HD       LYS  23  -0.054   6.884  -1.979
  163   2HD   LYS  23          1HD       LYS  23  -0.895   6.546  -0.466
  164   1HE   LYS  23          2HE       LYS  23  -1.346   8.724  -0.076
  165   2HE   LYS  23          1HE       LYS  23   0.195   9.269  -0.736
  166   1HZ   LYS  23          1HZ       LYS  23  -1.803   9.939  -2.038
  167   2HZ   LYS  23          2HZ       LYS  23  -2.053   8.311  -2.419
  168   3HZ   LYS  23          3HZ       LYS  23  -0.643   9.094  -2.934
  169    H    ASN  24           H        ASN  24   3.317   8.596   0.329
  170    HA   ASN  24           HA       ASN  24   5.040   8.567   2.468
  171   1HB   ASN  24          2HB       ASN  24   3.508  10.457   1.353
  172   2HB   ASN  24          1HB       ASN  24   2.533  10.125   2.781
  173   1HD2  ASN  24          1HD2      ASN  24   5.987  10.515   2.001
  174   2HD2  ASN  24          2HD2      ASN  24   6.329  11.582   3.315
  175    H    GLY  25           H        GLY  25   4.435   6.241   3.024
  176   1HA   GLY  25          2HA       GLY  25   3.901   4.903   4.830
  177   2HA   GLY  25          1HA       GLY  25   3.078   6.269   5.562
  178    H    TYR  26           H        TYR  26   2.152   5.490   2.311
  179    HA   TYR  26           HA       TYR  26  -0.062   3.826   3.243
  180   1HB   TYR  26          2HB       TYR  26  -0.421   6.495   1.884
  181   2HB   TYR  26          1HB       TYR  26  -1.692   5.276   1.955
  182    HD1  TYR  26           1HD      TYR  26  -1.810   4.257   4.539
  183    HD2  TYR  26           2HD      TYR  26  -0.739   8.209   3.389
  184    HE1  TYR  26           1HE      TYR  26  -2.470   5.069   6.755
  185    HE2  TYR  26           2HE      TYR  26  -1.407   9.039   5.605
  186    HH   TYR  26           HH       TYR  26  -1.583   7.608   8.129
  187    H    CYS  27           H        CYS  27  -1.587   3.404   1.219
  188    HA   CYS  27           HA       CYS  27   0.060   2.010  -0.674
  189   1HB   CYS  27          2HB       CYS  27  -2.633   1.854   0.275
  190   2HB   CYS  27          1HB       CYS  27  -2.671   1.991  -1.476
  191    H    GLN  28           H        GLN  28   0.228   2.354  -2.875
  192    HA   GLN  28           HA       GLN  28  -0.269   5.089  -3.733
  193   1HB   GLN  28          2HB       GLN  28   1.518   2.889  -4.579
  194   2HB   GLN  28          1HB       GLN  28   0.943   3.942  -5.855
  195   1HG   GLN  28          2HG       GLN  28   1.720   5.860  -4.316
  196   2HG   GLN  28          1HG       GLN  28   2.644   4.605  -3.493
  197   1HE2  GLN  28          1HE2      GLN  28   4.688   4.980  -4.070
  198   2HE2  GLN  28          2HE2      GLN  28   5.258   5.116  -5.695
  199    H    GLY  29           H        GLY  29  -1.197   1.780  -4.647
  200   1HA   GLY  29          2HA       GLY  29  -3.649   2.684  -5.780
  201   2HA   GLY  29          1HA       GLY  29  -2.493   2.259  -7.030
  202    H    CYS  30           H        CYS  30  -4.626   1.102  -4.612
  203    HA   CYS  30           HA       CYS  30  -4.061  -1.452  -4.065
  204   1HB   CYS  30          2HB       CYS  30  -6.318   0.110  -3.888
  205   2HB   CYS  30          1HB       CYS  30  -6.841  -1.186  -4.954
  206    H    THR  31           H        THR  31  -2.897  -2.462  -5.633
  207    HA   THR  31           HA       THR  31  -4.154  -3.056  -8.204
  208    HB   THR  31           HB       THR  31  -1.704  -2.317  -7.902
  209    HG1  THR  31           1HG      THR  31  -2.658  -3.310  -9.822
  210   1HG2  THR  31          1HG2      THR  31  -0.193  -3.602  -6.925
  211   2HG2  THR  31          2HG2      THR  31  -0.758  -5.040  -7.776
  212   3HG2  THR  31          3HG2      THR  31  -1.532  -4.543  -6.273
  Start of MODEL    5
    1   1H    THR   1          1HT       THR   1 -10.373   2.274  -2.836
    2   2H    THR   1          2HT       THR   1  -9.040   2.499  -3.891
    3   3H    THR   1          3HT       THR   1  -9.040   3.230  -2.337
    4    HA   THR   1           HA       THR   1  -9.416   0.693  -1.699
    5    HB   THR   1           HB       THR   1  -7.208   0.278  -3.577
    6    HG1  THR   1           1HG      THR   1  -9.770   0.291  -4.750
    7   1HG2  THR   1          1HG2      THR   1  -9.495  -1.241  -2.510
    8   2HG2  THR   1          2HG2      THR   1  -7.819  -1.725  -2.762
    9   3HG2  THR   1          3HG2      THR   1  -8.939  -1.685  -4.124
   10    HA   PRO   2           HA       PRO   2  -4.905   1.873  -0.653
   11   1HB   PRO   2          2HB       PRO   2  -3.545   3.683  -2.074
   12   2HB   PRO   2          1HB       PRO   2  -3.769   2.037  -2.678
   13   1HG   PRO   2          2HG       PRO   2  -5.219   4.545  -3.423
   14   2HG   PRO   2          1HG       PRO   2  -4.641   3.234  -4.467
   15   1HD   PRO   2          2HD       PRO   2  -7.242   3.509  -3.576
   16   2HD   PRO   2          1HD       PRO   2  -6.518   1.983  -4.119
   17    H    TYR   3           H        TYR   3  -7.238   3.236   0.205
   18    HA   TYR   3           HA       TYR   3  -6.316   5.935   0.841
   19   1HB   TYR   3          2HB       TYR   3  -8.932   4.600   0.677
   20   2HB   TYR   3          1HB       TYR   3  -8.757   5.674   2.061
   21    HD1  TYR   3           1HD      TYR   3  -9.657   5.497  -1.329
   22    HD2  TYR   3           2HD      TYR   3  -7.751   8.055   1.487
   23    HE1  TYR   3           1HE      TYR   3 -10.112   7.426  -2.782
   24    HE2  TYR   3           2HE      TYR   3  -8.204   9.992   0.042
   25    HH   TYR   3           HH       TYR   3 -10.369   9.924  -2.509
   26    HA   PRO   4           HA       PRO   4  -6.561   4.022   5.152
   27   1HB   PRO   4          2HB       PRO   4  -8.042   1.890   5.696
   28   2HB   PRO   4          1HB       PRO   4  -8.808   3.436   5.311
   29   1HG   PRO   4          2HG       PRO   4  -8.522   0.996   3.636
   30   2HG   PRO   4          1HG       PRO   4  -9.828   2.189   3.669
   31   1HD   PRO   4          2HD       PRO   4  -7.649   2.070   1.847
   32   2HD   PRO   4          1HD       PRO   4  -8.863   3.355   1.987
   33    H    VAL   5           H        VAL   5  -5.239   2.382   2.632
   34    HA   VAL   5           HA       VAL   5  -4.227   0.144   4.222
   35    HB   VAL   5           HB       VAL   5  -3.095   0.381   1.543
   36   1HG1  VAL   5          1HG1      VAL   5  -3.164  -1.865   1.633
   37   2HG1  VAL   5          2HG1      VAL   5  -4.807  -1.898   2.272
   38   3HG1  VAL   5          3HG1      VAL   5  -3.447  -1.588   3.352
   39   1HG2  VAL   5          1HG2      VAL   5  -5.130  -0.185   0.308
   40   2HG2  VAL   5          2HG2      VAL   5  -5.270   1.411   1.045
   41   3HG2  VAL   5          3HG2      VAL   5  -6.088   0.030   1.773
   42    H    ASN   6           H        ASN   6  -2.705   0.811   5.572
   43    HA   ASN   6           HA       ASN   6  -0.681   2.725   4.725
   44   1HB   ASN   6          2HB       ASN   6   0.121   2.509   7.108
   45   2HB   ASN   6          1HB       ASN   6  -1.514   3.127   6.925
   46   1HD2  ASN   6          1HD2      ASN   6  -3.209   1.985   7.756
   47   2HD2  ASN   6          2HD2      ASN   6  -3.024   0.537   8.681
   48    H    CYS   7           H        CYS   7   1.632   2.259   5.299
   49    HA   CYS   7           HA       CYS   7   2.590  -0.371   5.621
   50   1HB   CYS   7          2HB       CYS   7   3.548  -0.654   3.276
   51   2HB   CYS   7          1HB       CYS   7   1.826  -0.954   3.448
   52    H    LYS   8           H        LYS   8   4.936  -0.569   4.793
   53    HA   LYS   8           HA       LYS   8   6.341   1.989   5.169
   54   1HB   LYS   8          2HB       LYS   8   7.368  -0.707   6.073
   55   2HB   LYS   8          1HB       LYS   8   8.041   0.876   6.442
   56   1HG   LYS   8          2HG       LYS   8   5.546   1.148   7.453
   57   2HG   LYS   8          1HG       LYS   8   5.818  -0.578   7.700
   58   1HD   LYS   8          2HD       LYS   8   7.781  -0.163   8.986
   59   2HD   LYS   8          1HD       LYS   8   7.777   1.548   8.551
   60   1HE   LYS   8          2HE       LYS   8   5.506   0.270  10.050
   61   2HE   LYS   8          1HE       LYS   8   6.921   0.918  10.876
   62   1HZ   LYS   8          1HZ       LYS   8   6.295   2.991   9.355
   63   2HZ   LYS   8          2HZ       LYS   8   5.641   2.763  10.899
   64   3HZ   LYS   8          3HZ       LYS   8   4.750   2.321   9.531
   65    H    THR   9           H        THR   9   6.597  -1.319   3.870
   66    HA   THR   9           HA       THR   9   8.361  -0.300   1.746
   67    HB   THR   9           HB       THR   9   8.153  -3.234   2.242
   68    HG1  THR   9           1HG      THR   9   8.787  -3.062   4.216
   69   1HG2  THR   9          1HG2      THR   9  10.192  -1.331   1.251
   70   2HG2  THR   9          2HG2      THR   9   9.708  -2.909   0.628
   71   3HG2  THR   9          3HG2      THR   9  10.742  -2.802   2.052
   72    H    ASP  10           H        ASP  10   8.146  -2.096  -0.208
   73    HA   ASP  10           HA       ASP  10   5.739  -1.495  -1.476
   74   1HB   ASP  10          2HB       ASP  10   8.099  -2.483  -2.321
   75   2HB   ASP  10          1HB       ASP  10   7.139  -3.958  -2.350
   76    H    ARG  11           H        ARG  11   6.755  -4.765  -0.441
   77    HA   ARG  11           HA       ARG  11   4.143  -5.848  -0.737
   78   1HB   ARG  11          2HB       ARG  11   6.512  -6.984   0.754
   79   2HB   ARG  11          1HB       ARG  11   5.078  -7.875   0.262
   80   1HG   ARG  11          2HG       ARG  11   6.324  -8.439  -1.509
   81   2HG   ARG  11          1HG       ARG  11   5.864  -6.847  -2.113
   82   1HD   ARG  11          2HD       ARG  11   8.062  -6.363  -0.481
   83   2HD   ARG  11          1HD       ARG  11   8.465  -7.854  -1.328
   84    HE   ARG  11           HE       ARG  11   7.451  -5.874  -3.108
   85   1HH1  ARG  11          1HH1      ARG  11  10.332  -6.831  -1.362
   86   2HH1  ARG  11          2HH1      ARG  11  11.412  -6.075  -2.484
   87   1HH2  ARG  11          1HH2      ARG  11   8.876  -4.876  -4.580
   88   2HH2  ARG  11          2HH2      ARG  11  10.586  -4.965  -4.313
   89    H    ASP  12           H        ASP  12   4.966  -3.667   1.527
   90    HA   ASP  12           HA       ASP  12   3.928  -4.938   3.890
   91   1HB   ASP  12          2HB       ASP  12   4.958  -2.250   3.185
   92   2HB   ASP  12          1HB       ASP  12   3.761  -2.304   4.473
   93    H    CYS  13           H        CYS  13   2.755  -3.016   1.247
   94    HA   CYS  13           HA       CYS  13   0.122  -2.728   2.452
   95   1HB   CYS  13          2HB       CYS  13   1.583  -1.135   0.740
   96   2HB   CYS  13          1HB       CYS  13   0.435  -1.912  -0.342
   97    H    VAL  14           H        VAL  14   1.375  -5.367   1.561
   98    HA   VAL  14           HA       VAL  14   0.255  -6.367  -0.749
   99    HB   VAL  14           HB       VAL  14   1.876  -7.518   0.835
  100   1HG1  VAL  14          1HG1      VAL  14   1.224  -8.504   2.751
  101   2HG1  VAL  14          2HG1      VAL  14  -0.364  -8.941   2.116
  102   3HG1  VAL  14          3HG1      VAL  14  -0.063  -7.300   2.689
  103   1HG2  VAL  14          1HG2      VAL  14   1.388  -8.819  -0.971
  104   2HG2  VAL  14          2HG2      VAL  14  -0.348  -8.802  -0.660
  105   3HG2  VAL  14          3HG2      VAL  14   0.710  -9.828   0.308
  106    H    MET  15           H        MET  15  -1.325  -5.626   2.275
  107    HA   MET  15           HA       MET  15  -3.636  -7.187   2.057
  108   1HB   MET  15          2HB       MET  15  -3.270  -4.427   3.243
  109   2HB   MET  15          1HB       MET  15  -4.715  -5.407   3.450
  110   1HG   MET  15          2HG       MET  15  -3.124  -7.185   4.400
  111   2HG   MET  15          1HG       MET  15  -1.963  -5.867   4.530
  112   1HE   MET  15          1HE       MET  15  -2.597  -3.669   5.326
  113   2HE   MET  15          2HE       MET  15  -2.841  -3.661   7.073
  114   3HE   MET  15          3HE       MET  15  -4.179  -3.266   5.994
  115    H    CYS  16           H        CYS  16  -2.609  -4.375   0.299
  116    HA   CYS  16           HA       CYS  16  -5.234  -3.760  -0.751
  117   1HB   CYS  16          2HB       CYS  16  -3.245  -2.125  -0.312
  118   2HB   CYS  16          1HB       CYS  16  -2.652  -2.690  -1.870
  119    H    GLY  17           H        GLY  17  -2.195  -5.215  -1.950
  120   1HA   GLY  17          2HA       GLY  17  -3.613  -6.900  -3.763
  121   2HA   GLY  17          1HA       GLY  17  -2.874  -5.554  -4.615
  122    H    LEU  18           H        LEU  18  -1.807  -7.432  -5.682
  123    HA   LEU  18           HA       LEU  18   0.349  -8.653  -4.178
  124   1HB   LEU  18          2HB       LEU  18   0.783  -9.823  -6.411
  125   2HB   LEU  18          1HB       LEU  18  -0.665 -10.253  -5.526
  126    HG   LEU  18           HG       LEU  18  -1.022  -8.113  -7.523
  127   1HD1  LEU  18          1HD1      LEU  18  -1.202  -9.984  -9.305
  128   2HD1  LEU  18          2HD1      LEU  18  -0.072 -10.847  -8.265
  129   3HD1  LEU  18          3HD1      LEU  18   0.375  -9.282  -8.942
  130   1HD2  LEU  18          1HD2      LEU  18  -2.676  -9.659  -6.051
  131   2HD2  LEU  18          2HD2      LEU  18  -2.631 -10.580  -7.555
  132   3HD2  LEU  18          3HD2      LEU  18  -3.136  -8.891  -7.569
  133    H    GLY  19           H        GLY  19   1.538  -6.763  -3.820
  134   1HA   GLY  19          2HA       GLY  19   3.676  -5.846  -4.382
  135   2HA   GLY  19          1HA       GLY  19   3.285  -6.061  -6.083
  136    H    ILE  20           H        ILE  20   2.619  -4.128  -3.214
  137    HA   ILE  20           HA       ILE  20   1.471  -2.027  -4.920
  138    HB   ILE  20           HB       ILE  20   1.256  -1.875  -1.971
  139   1HG1  ILE  20          2HG1      ILE  20   0.781  -4.195  -2.214
  140   2HG1  ILE  20          1HG1      ILE  20  -0.757  -3.358  -2.018
  141   1HG2  ILE  20          1HG2      ILE  20   0.196  -0.115  -3.031
  142   2HG2  ILE  20          2HG2      ILE  20  -1.131  -1.236  -2.735
  143   3HG2  ILE  20          3HG2      ILE  20  -0.406  -1.134  -4.339
  144   1HD1  ILE  20          1HD1      ILE  20   0.019  -5.109  -4.080
  145   2HD1  ILE  20          2HD1      ILE  20  -0.163  -3.508  -4.797
  146   3HD1  ILE  20          3HD1      ILE  20  -1.499  -4.231  -3.905
  147    H    SER  21           H        SER  21   2.300   0.012  -4.939
  148    HA   SER  21           HA       SER  21   4.929   0.387  -3.782
  149   1HB   SER  21          2HB       SER  21   3.300   2.439  -5.295
  150   2HB   SER  21          1HB       SER  21   5.047   2.409  -5.056
  151    HG   SER  21           HG       SER  21   3.920   1.546  -7.132
  152    H    CYS  22           H        CYS  22   5.332   1.421  -1.909
  153    HA   CYS  22           HA       CYS  22   3.039   2.526  -0.479
  154   1HB   CYS  22          2HB       CYS  22   4.757   0.813   0.487
  155   2HB   CYS  22          1HB       CYS  22   5.766   2.234   0.734
  156    H    LYS  23           H        LYS  23   2.726   4.614  -0.152
  157    HA   LYS  23           HA       LYS  23   4.808   6.511  -0.976
  158   1HB   LYS  23          2HB       LYS  23   2.970   8.176  -1.054
  159   2HB   LYS  23          1HB       LYS  23   2.701   6.821  -2.133
  160   1HG   LYS  23          2HG       LYS  23   0.639   6.884  -1.256
  161   2HG   LYS  23          1HG       LYS  23   1.380   5.942   0.035
  162   1HD   LYS  23          2HD       LYS  23   1.298   7.651   1.515
  163   2HD   LYS  23          1HD       LYS  23   1.592   8.875   0.280
  164   1HE   LYS  23          2HE       LYS  23  -1.016   7.396   0.548
  165   2HE   LYS  23          1HE       LYS  23  -0.690   8.927   1.358
  166   1HZ   LYS  23          1HZ       LYS  23  -1.829   9.375  -0.668
  167   2HZ   LYS  23          2HZ       LYS  23  -0.752   8.432  -1.569
  168   3HZ   LYS  23          3HZ       LYS  23  -0.228   9.881  -0.872
  169    H    ASN  24           H        ASN  24   3.586   8.657   0.561
  170    HA   ASN  24           HA       ASN  24   5.114   8.743   2.808
  171   1HB   ASN  24          2HB       ASN  24   3.591  10.533   1.578
  172   2HB   ASN  24          1HB       ASN  24   2.491  10.148   2.896
  173   1HD2  ASN  24          1HD2      ASN  24   5.905  10.943   2.329
  174   2HD2  ASN  24          2HD2      ASN  24   6.075  11.948   3.723
  175    H    GLY  25           H        GLY  25   4.588   6.384   3.375
  176   1HA   GLY  25          2HA       GLY  25   4.043   5.036   5.167
  177   2HA   GLY  25          1HA       GLY  25   3.184   6.389   5.883
  178    H    TYR  26           H        TYR  26   2.212   5.676   2.654
  179    HA   TYR  26           HA       TYR  26   0.090   3.889   3.587
  180   1HB   TYR  26          2HB       TYR  26  -0.373   6.594   2.345
  181   2HB   TYR  26          1HB       TYR  26  -1.605   5.335   2.347
  182    HD1  TYR  26           1HD      TYR  26  -1.855   4.207   4.815
  183    HD2  TYR  26           2HD      TYR  26  -0.579   8.180   3.996
  184    HE1  TYR  26           1HE      TYR  26  -2.553   4.886   7.067
  185    HE2  TYR  26           2HE      TYR  26  -1.278   8.874   6.248
  186    HH   TYR  26           HH       TYR  26  -1.581   7.438   8.609
  187    H    CYS  27           H        CYS  27  -1.493   3.559   1.550
  188    HA   CYS  27           HA       CYS  27   0.160   2.253  -0.419
  189   1HB   CYS  27          2HB       CYS  27  -2.460   1.909   0.638
  190   2HB   CYS  27          1HB       CYS  27  -2.613   2.140  -1.096
  191    H    GLN  28           H        GLN  28   0.333   2.717  -2.562
  192    HA   GLN  28           HA       GLN  28  -0.440   5.397  -3.390
  193   1HB   GLN  28          2HB       GLN  28   1.520   3.350  -4.305
  194   2HB   GLN  28          1HB       GLN  28   0.910   4.482  -5.494
  195   1HG   GLN  28          2HG       GLN  28   1.612   6.336  -3.979
  196   2HG   GLN  28          1HG       GLN  28   2.382   5.123  -2.958
  197   1HE2  GLN  28          1HE2      GLN  28   4.501   5.286  -3.235
  198   2HE2  GLN  28          2HE2      GLN  28   5.315   5.402  -4.755
  199    H    GLY  29           H        GLY  29  -0.707   2.056  -4.590
  200   1HA   GLY  29          2HA       GLY  29  -3.366   2.167  -5.373
  201   2HA   GLY  29          1HA       GLY  29  -2.415   2.666  -6.765
  202    H    CYS  30           H        CYS  30  -3.519   0.033  -4.890
  203    HA   CYS  30           HA       CYS  30  -1.611  -1.878  -5.884
  204   1HB   CYS  30          2HB       CYS  30  -3.094  -3.535  -4.713
  205   2HB   CYS  30          1HB       CYS  30  -2.476  -2.250  -3.686
  206    H    THR  31           H        THR  31  -4.355  -3.642  -6.034
  207    HA   THR  31           HA       THR  31  -4.445  -3.418  -8.948
  208    HB   THR  31           HB       THR  31  -5.267  -5.654  -9.004
  209    HG1  THR  31           1HG      THR  31  -6.762  -5.616  -7.340
  210   1HG2  THR  31          1HG2      THR  31  -3.515  -6.098  -6.676
  211   2HG2  THR  31          2HG2      THR  31  -2.821  -5.193  -8.021
  212   3HG2  THR  31          3HG2      THR  31  -3.473  -6.809  -8.288
  Start of MODEL    6
    1   1H    THR   1          1HT       THR   1  -8.121  -0.634  -2.525
    2   2H    THR   1          2HT       THR   1  -7.857   0.276  -3.955
    3   3H    THR   1          3HT       THR   1  -9.441  -0.241  -3.545
    4    HA   THR   1           HA       THR   1  -8.904   2.132  -3.122
    5    HB   THR   1           HB       THR   1  -9.676   0.708  -0.592
    6    HG1  THR   1           1HG      THR   1 -11.555   0.011  -1.478
    7   1HG2  THR   1          1HG2      THR   1 -10.769   2.568  -0.117
    8   2HG2  THR   1          2HG2      THR   1 -11.614   2.532  -1.664
    9   3HG2  THR   1          3HG2      THR   1 -10.035   3.307  -1.539
   10    HA   PRO   2           HA       PRO   2  -4.920   2.001  -0.820
   11   1HB   PRO   2          2HB       PRO   2  -3.609   3.824  -2.271
   12   2HB   PRO   2          1HB       PRO   2  -3.855   2.184  -2.883
   13   1HG   PRO   2          2HG       PRO   2  -5.332   4.698  -3.552
   14   2HG   PRO   2          1HG       PRO   2  -4.783   3.403  -4.630
   15   1HD   PRO   2          2HD       PRO   2  -7.356   3.652  -3.654
   16   2HD   PRO   2          1HD       PRO   2  -6.637   2.136  -4.233
   17    H    TYR   3           H        TYR   3  -7.241   3.366   0.102
   18    HA   TYR   3           HA       TYR   3  -6.286   6.049   0.760
   19   1HB   TYR   3          2HB       TYR   3  -8.901   4.789   0.510
   20   2HB   TYR   3          1HB       TYR   3  -8.739   5.670   2.024
   21    HD1  TYR   3           1HD      TYR   3 -10.279   6.098  -0.834
   22    HD2  TYR   3           2HD      TYR   3  -7.063   7.957   1.244
   23    HE1  TYR   3           1HE      TYR   3 -10.739   8.204  -2.015
   24    HE2  TYR   3           2HE      TYR   3  -7.515  10.067   0.067
   25    HH   TYR   3           HH       TYR   3  -9.009  10.418  -2.577
   26    HA   PRO   4           HA       PRO   4  -6.500   4.079   5.049
   27   1HB   PRO   4          2HB       PRO   4  -7.965   1.927   5.573
   28   2HB   PRO   4          1HB       PRO   4  -8.740   3.479   5.230
   29   1HG   PRO   4          2HG       PRO   4  -8.470   1.076   3.500
   30   2HG   PRO   4          1HG       PRO   4  -9.782   2.263   3.579
   31   1HD   PRO   4          2HD       PRO   4  -7.638   2.191   1.718
   32   2HD   PRO   4          1HD       PRO   4  -8.845   3.476   1.914
   33    H    VAL   5           H        VAL   5  -5.208   2.481   2.483
   34    HA   VAL   5           HA       VAL   5  -4.156   0.227   4.027
   35    HB   VAL   5           HB       VAL   5  -3.067   0.518   1.334
   36   1HG1  VAL   5          1HG1      VAL   5  -3.373  -1.484   3.117
   37   2HG1  VAL   5          2HG1      VAL   5  -3.101  -1.727   1.393
   38   3HG1  VAL   5          3HG1      VAL   5  -4.737  -1.794   2.044
   39   1HG2  VAL   5          1HG2      VAL   5  -5.272   1.531   0.899
   40   2HG2  VAL   5          2HG2      VAL   5  -6.050   0.110   1.595
   41   3HG2  VAL   5          3HG2      VAL   5  -5.104  -0.040   0.114
   42    H    ASN   6           H        ASN   6  -2.618   0.887   5.363
   43    HA   ASN   6           HA       ASN   6  -0.628   2.835   4.519
   44   1HB   ASN   6          2HB       ASN   6   0.216   2.573   6.889
   45   2HB   ASN   6          1HB       ASN   6  -1.421   3.197   6.734
   46   1HD2  ASN   6          1HD2      ASN   6   0.562   0.675   7.935
   47   2HD2  ASN   6          2HD2      ASN   6  -0.687  -0.252   8.686
   48    H    CYS   7           H        CYS   7   1.690   2.407   5.014
   49    HA   CYS   7           HA       CYS   7   2.717  -0.201   5.303
   50   1HB   CYS   7          2HB       CYS   7   3.612  -0.478   2.943
   51   2HB   CYS   7          1HB       CYS   7   1.893  -0.776   3.140
   52    H    LYS   8           H        LYS   8   5.042  -0.343   4.456
   53    HA   LYS   8           HA       LYS   8   6.398   2.251   4.784
   54   1HB   LYS   8          2HB       LYS   8   7.551  -0.411   5.632
   55   2HB   LYS   8          1HB       LYS   8   8.148   1.194   6.019
   56   1HG   LYS   8          2HG       LYS   8   6.875   1.324   7.832
   57   2HG   LYS   8          1HG       LYS   8   5.433   0.832   6.944
   58   1HD   LYS   8          2HD       LYS   8   5.578  -1.288   7.664
   59   2HD   LYS   8          1HD       LYS   8   7.323  -1.350   7.407
   60   1HE   LYS   8          2HE       LYS   8   7.785  -0.446   9.512
   61   2HE   LYS   8          1HE       LYS   8   6.148   0.178   9.704
   62   1HZ   LYS   8          1HZ       LYS   8   6.337  -1.704  11.092
   63   2HZ   LYS   8          2HZ       LYS   8   7.040  -2.644   9.875
   64   3HZ   LYS   8          3HZ       LYS   8   5.411  -2.203   9.767
   65    H    THR   9           H        THR   9   6.614  -1.027   3.428
   66    HA   THR   9           HA       THR   9   8.317   0.005   1.257
   67    HB   THR   9           HB       THR   9   9.222  -2.232   0.998
   68    HG1  THR   9           1HG      THR   9   8.499  -3.944   2.157
   69   1HG2  THR   9          1HG2      THR   9   9.957  -0.675   2.996
   70   2HG2  THR   9          2HG2      THR   9  10.617  -2.296   2.784
   71   3HG2  THR   9          3HG2      THR   9   9.322  -2.015   3.950
   72    H    ASP  10           H        ASP  10   8.054  -1.773  -0.694
   73    HA   ASP  10           HA       ASP  10   5.567  -1.227  -1.848
   74   1HB   ASP  10          2HB       ASP  10   7.859  -3.002  -2.532
   75   2HB   ASP  10          1HB       ASP  10   6.337  -3.273  -3.374
   76    H    ARG  11           H        ARG  11   6.760  -4.438  -0.810
   77    HA   ARG  11           HA       ARG  11   4.203  -5.664  -1.048
   78   1HB   ARG  11          2HB       ARG  11   5.289  -7.574   0.151
   79   2HB   ARG  11          1HB       ARG  11   6.097  -7.053  -1.316
   80   1HG   ARG  11          2HG       ARG  11   7.290  -5.602   0.759
   81   2HG   ARG  11          1HG       ARG  11   7.112  -7.252   1.358
   82   1HD   ARG  11          2HD       ARG  11   8.344  -8.148  -0.445
   83   2HD   ARG  11          1HD       ARG  11   8.260  -6.638  -1.351
   84    HE   ARG  11           HE       ARG  11   9.591  -6.078   1.014
   85   1HH1  ARG  11          1HH1      ARG  11  10.091  -8.100  -1.800
   86   2HH1  ARG  11          2HH1      ARG  11  11.817  -8.026  -1.700
   87   1HH2  ARG  11          1HH2      ARG  11  11.866  -5.981   1.142
   88   2HH2  ARG  11          2HH2      ARG  11  12.826  -6.822  -0.028
   89    H    ASP  12           H        ASP  12   5.059  -3.456   1.215
   90    HA   ASP  12           HA       ASP  12   4.036  -4.763   3.565
   91   1HB   ASP  12          2HB       ASP  12   5.155  -2.111   2.927
   92   2HB   ASP  12          1HB       ASP  12   3.905  -2.100   4.162
   93    H    CYS  13           H        CYS  13   2.815  -2.863   0.944
   94    HA   CYS  13           HA       CYS  13   0.212  -2.552   2.216
   95   1HB   CYS  13          2HB       CYS  13   1.625  -0.958   0.463
   96   2HB   CYS  13          1HB       CYS  13   0.459  -1.747  -0.591
   97    H    VAL  14           H        VAL  14   1.439  -5.193   1.343
   98    HA   VAL  14           HA       VAL  14   0.308  -6.233  -0.942
   99    HB   VAL  14           HB       VAL  14   1.923  -7.351   0.704
  100   1HG1  VAL  14          1HG1      VAL  14   0.968  -8.844   2.352
  101   2HG1  VAL  14          2HG1      VAL  14  -0.659  -8.306   1.933
  102   3HG1  VAL  14          3HG1      VAL  14   0.476  -7.185   2.683
  103   1HG2  VAL  14          1HG2      VAL  14  -0.247  -8.676  -0.846
  104   2HG2  VAL  14          2HG2      VAL  14   0.846  -9.671   0.116
  105   3HG2  VAL  14          3HG2      VAL  14   1.490  -8.622  -1.149
  106    H    MET  15           H        MET  15  -1.251  -5.475   2.095
  107    HA   MET  15           HA       MET  15  -3.569  -7.014   1.924
  108   1HB   MET  15          2HB       MET  15  -2.892  -4.387   3.180
  109   2HB   MET  15          1HB       MET  15  -4.584  -4.856   3.089
  110   1HG   MET  15          2HG       MET  15  -3.910  -7.019   4.206
  111   2HG   MET  15          1HG       MET  15  -2.345  -6.267   4.506
  112   1HE   MET  15          1HE       MET  15  -3.812  -7.578   6.444
  113   2HE   MET  15          2HE       MET  15  -5.133  -6.807   7.323
  114   3HE   MET  15          3HE       MET  15  -3.462  -6.501   7.796
  115    H    CYS  16           H        CYS  16  -2.565  -4.234   0.091
  116    HA   CYS  16           HA       CYS  16  -5.196  -3.681  -0.976
  117   1HB   CYS  16          2HB       CYS  16  -3.240  -2.002  -0.572
  118   2HB   CYS  16          1HB       CYS  16  -2.625  -2.598  -2.110
  119    H    GLY  17           H        GLY  17  -2.124  -5.088  -2.150
  120   1HA   GLY  17          2HA       GLY  17  -3.493  -6.870  -3.907
  121   2HA   GLY  17          1HA       GLY  17  -2.811  -5.524  -4.803
  122    H    LEU  18           H        LEU  18  -1.701  -7.431  -5.814
  123    HA   LEU  18           HA       LEU  18   0.529  -8.506  -4.300
  124   1HB   LEU  18          2HB       LEU  18  -0.577  -9.101  -7.034
  125   2HB   LEU  18          1HB       LEU  18   0.951  -9.758  -6.481
  126    HG   LEU  18           HG       LEU  18  -0.436 -10.657  -4.470
  127   1HD1  LEU  18          1HD1      LEU  18  -2.602 -10.217  -6.521
  128   2HD1  LEU  18          2HD1      LEU  18  -2.483  -9.439  -4.943
  129   3HD1  LEU  18          3HD1      LEU  18  -2.761 -11.177  -5.049
  130   1HD2  LEU  18          1HD2      LEU  18  -1.257 -12.562  -6.118
  131   2HD2  LEU  18          2HD2      LEU  18   0.450 -12.326  -5.741
  132   3HD2  LEU  18          3HD2      LEU  18  -0.216 -11.689  -7.245
  133    H    GLY  19           H        GLY  19   1.644  -6.541  -4.062
  134   1HA   GLY  19          2HA       GLY  19   3.747  -5.592  -4.740
  135   2HA   GLY  19          1HA       GLY  19   3.278  -5.849  -6.417
  136    H    ILE  20           H        ILE  20   2.672  -3.899  -3.542
  137    HA   ILE  20           HA       ILE  20   1.370  -1.869  -5.225
  138    HB   ILE  20           HB       ILE  20   1.273  -1.701  -2.264
  139   1HG1  ILE  20          2HG1      ILE  20   0.838  -4.028  -2.474
  140   2HG1  ILE  20          1HG1      ILE  20  -0.715  -3.229  -2.247
  141   1HG2  ILE  20          1HG2      ILE  20   0.123   0.032  -3.259
  142   2HG2  ILE  20          2HG2      ILE  20  -1.164  -1.131  -2.946
  143   3HG2  ILE  20          3HG2      ILE  20  -0.484  -0.984  -4.566
  144   1HD1  ILE  20          1HD1      ILE  20  -0.207  -3.375  -5.035
  145   2HD1  ILE  20          2HD1      ILE  20  -1.477  -4.156  -4.099
  146   3HD1  ILE  20          3HD1      ILE  20   0.070  -4.966  -4.326
  147    H    SER  21           H        SER  21   1.979   0.284  -5.103
  148    HA   SER  21           HA       SER  21   4.699   0.752  -4.176
  149   1HB   SER  21          2HB       SER  21   2.774   2.473  -5.763
  150   2HB   SER  21          1HB       SER  21   4.387   2.996  -5.280
  151    HG   SER  21           HG       SER  21   3.784   0.740  -6.899
  152    H    CYS  22           H        CYS  22   5.177   1.813  -2.328
  153    HA   CYS  22           HA       CYS  22   2.922   2.766  -0.735
  154   1HB   CYS  22          2HB       CYS  22   4.779   1.117   0.080
  155   2HB   CYS  22          1HB       CYS  22   5.720   2.585   0.321
  156    H    LYS  23           H        LYS  23   2.517   4.811  -0.346
  157    HA   LYS  23           HA       LYS  23   4.384   6.865  -1.277
  158   1HB   LYS  23          2HB       LYS  23   2.530   8.369  -1.286
  159   2HB   LYS  23          1HB       LYS  23   1.963   6.871  -2.007
  160   1HG   LYS  23          2HG       LYS  23   1.262   6.416   0.537
  161   2HG   LYS  23          1HG       LYS  23   1.180   8.178   0.521
  162   1HD   LYS  23          2HD       LYS  23  -0.060   6.782  -1.769
  163   2HD   LYS  23          1HD       LYS  23  -0.862   6.594  -0.210
  164   1HE   LYS  23          2HE       LYS  23  -0.066   9.281  -1.302
  165   2HE   LYS  23          1HE       LYS  23  -1.616   8.531  -1.680
  166   1HZ   LYS  23          1HZ       LYS  23  -1.653   8.319   0.953
  167   2HZ   LYS  23          2HZ       LYS  23  -2.229   9.688   0.146
  168   3HZ   LYS  23          3HZ       LYS  23  -0.679   9.697   0.823
  169    H    ASN  24           H        ASN  24   3.280   8.883   0.482
  170    HA   ASN  24           HA       ASN  24   5.060   8.856   2.576
  171   1HB   ASN  24          2HB       ASN  24   3.554  10.765   1.550
  172   2HB   ASN  24          1HB       ASN  24   2.489  10.347   2.887
  173   1HD2  ASN  24          1HD2      ASN  24   3.681  10.180   5.056
  174   2HD2  ASN  24          2HD2      ASN  24   4.809  11.445   5.388
  175    H    GLY  25           H        GLY  25   4.525   6.511   3.108
  176   1HA   GLY  25          2HA       GLY  25   4.059   5.117   4.891
  177   2HA   GLY  25          1HA       GLY  25   3.227   6.449   5.676
  178    H    TYR  26           H        TYR  26   2.206   5.774   2.438
  179    HA   TYR  26           HA       TYR  26   0.060   4.023   3.385
  180   1HB   TYR  26          2HB       TYR  26  -0.371   6.743   2.166
  181   2HB   TYR  26          1HB       TYR  26  -1.622   5.502   2.156
  182    HD1  TYR  26           1HD      TYR  26  -0.615   8.327   3.818
  183    HD2  TYR  26           2HD      TYR  26  -1.812   4.327   4.630
  184    HE1  TYR  26           1HE      TYR  26  -1.290   8.994   6.087
  185    HE2  TYR  26           2HE      TYR  26  -2.485   4.977   6.897
  186    HH   TYR  26           HH       TYR  26  -3.149   7.859   7.865
  187    H    CYS  27           H        CYS  27  -1.549   3.742   1.336
  188    HA   CYS  27           HA       CYS  27   0.106   2.438  -0.649
  189   1HB   CYS  27          2HB       CYS  27  -2.483   2.029   0.453
  190   2HB   CYS  27          1HB       CYS  27  -2.674   2.263  -1.277
  191    H    GLN  28           H        GLN  28   0.291   2.946  -2.766
  192    HA   GLN  28           HA       GLN  28  -0.603   5.591  -3.589
  193   1HB   GLN  28          2HB       GLN  28   1.470   3.655  -4.466
  194   2HB   GLN  28          1HB       GLN  28   0.776   4.674  -5.711
  195   1HG   GLN  28          2HG       GLN  28   1.326   6.636  -4.188
  196   2HG   GLN  28          1HG       GLN  28   2.311   5.495  -3.274
  197   1HE2  GLN  28          1HE2      GLN  28   4.352   5.253  -3.891
  198   2HE2  GLN  28          2HE2      GLN  28   5.004   5.719  -5.422
  199    H    GLY  29           H        GLY  29  -0.829   2.218  -4.688
  200   1HA   GLY  29          2HA       GLY  29  -3.453   2.225  -5.504
  201   2HA   GLY  29          1HA       GLY  29  -2.543   2.791  -6.899
  202    H    CYS  30           H        CYS  30  -3.539   0.085  -5.100
  203    HA   CYS  30           HA       CYS  30  -1.533  -1.727  -6.090
  204   1HB   CYS  30          2HB       CYS  30  -2.982  -3.461  -4.980
  205   2HB   CYS  30          1HB       CYS  30  -2.425  -2.177  -3.919
  206    H    THR  31           H        THR  31  -4.190  -3.599  -6.328
  207    HA   THR  31           HA       THR  31  -4.732  -2.946  -9.136
  208    HB   THR  31           HB       THR  31  -3.185  -4.681  -9.409
  209    HG1  THR  31           1HG      THR  31  -5.663  -6.055  -9.248
  210   1HG2  THR  31          1HG2      THR  31  -2.555  -5.817  -7.605
  211   2HG2  THR  31          2HG2      THR  31  -3.872  -6.921  -8.000
  212   3HG2  THR  31          3HG2      THR  31  -4.125  -5.632  -6.824
  Start of MODEL    7
    1   1H    THR   1          1HT       THR   1  -9.678   0.071  -1.541
    2   2H    THR   1          2HT       THR   1  -8.322  -0.587  -2.361
    3   3H    THR   1          3HT       THR   1  -9.740  -0.173  -3.237
    4    HA   THR   1           HA       THR   1  -8.249   1.508  -3.665
    5    HB   THR   1           HB       THR   1  -9.292   3.376  -2.053
    6    HG1  THR   1           1HG      THR   1 -10.409   2.297  -0.595
    7   1HG2  THR   1          1HG2      THR   1 -10.369   1.984  -4.404
    8   2HG2  THR   1          2HG2      THR   1 -10.098   3.704  -4.116
    9   3HG2  THR   1          3HG2      THR   1 -11.533   2.915  -3.460
   10    HA   PRO   2           HA       PRO   2  -4.902   2.097  -0.795
   11   1HB   PRO   2          2HB       PRO   2  -3.622   4.122  -1.982
   12   2HB   PRO   2          1HB       PRO   2  -3.748   2.542  -2.765
   13   1HG   PRO   2          2HG       PRO   2  -5.317   5.038  -3.267
   14   2HG   PRO   2          1HG       PRO   2  -4.656   3.878  -4.433
   15   1HD   PRO   2          2HD       PRO   2  -7.281   3.923  -3.566
   16   2HD   PRO   2          1HD       PRO   2  -6.468   2.506  -4.259
   17    H    TYR   3           H        TYR   3  -7.353   3.275   0.111
   18    HA   TYR   3           HA       TYR   3  -6.580   5.919   1.072
   19   1HB   TYR   3          2HB       TYR   3  -9.068   4.640   0.481
   20   2HB   TYR   3          1HB       TYR   3  -9.066   5.083   2.183
   21    HD1  TYR   3           1HD      TYR   3  -8.752   6.410  -1.254
   22    HD2  TYR   3           2HD      TYR   3  -9.243   7.360   2.865
   23    HE1  TYR   3           1HE      TYR   3  -9.296   8.730  -1.859
   24    HE2  TYR   3           2HE      TYR   3  -9.790   9.681   2.271
   25    HH   TYR   3           HH       TYR   3 -10.830  10.783  -0.091
   26    HA   PRO   4           HA       PRO   4  -6.757   3.553   5.154
   27   1HB   PRO   4          2HB       PRO   4  -8.141   1.304   5.449
   28   2HB   PRO   4          1HB       PRO   4  -8.970   2.850   5.233
   29   1HG   PRO   4          2HG       PRO   4  -8.596   0.618   3.310
   30   2HG   PRO   4          1HG       PRO   4  -9.932   1.773   3.446
   31   1HD   PRO   4          2HD       PRO   4  -7.708   1.888   1.665
   32   2HD   PRO   4          1HD       PRO   4  -8.980   3.106   1.886
   33    H    VAL   5           H        VAL   5  -5.312   2.268   2.511
   34    HA   VAL   5           HA       VAL   5  -4.210  -0.072   3.893
   35    HB   VAL   5           HB       VAL   5  -3.076   0.409   1.261
   36   1HG1  VAL   5          1HG1      VAL   5  -4.142  -1.947   0.989
   37   2HG1  VAL   5          2HG1      VAL   5  -4.422  -1.816   2.725
   38   3HG1  VAL   5          3HG1      VAL   5  -2.780  -1.719   2.087
   39   1HG2  VAL   5          1HG2      VAL   5  -5.058  -0.031  -0.072
   40   2HG2  VAL   5          2HG2      VAL   5  -5.274   1.460   0.843
   41   3HG2  VAL   5          3HG2      VAL   5  -6.063  -0.023   1.377
   42    H    ASN   6           H        ASN   6  -2.727   0.571   5.309
   43    HA   ASN   6           HA       ASN   6  -0.779   2.618   4.607
   44   1HB   ASN   6          2HB       ASN   6   0.027   2.232   6.986
   45   2HB   ASN   6          1HB       ASN   6  -1.608   2.858   6.820
   46   1HD2  ASN   6          1HD2      ASN   6   0.240  -0.116   7.317
   47   2HD2  ASN   6          2HD2      ASN   6  -0.982  -0.926   8.231
   48    H    CYS   7           H        CYS   7   1.553   2.201   5.161
   49    HA   CYS   7           HA       CYS   7   2.626  -0.387   5.350
   50   1HB   CYS   7          2HB       CYS   7   3.557  -0.595   3.006
   51   2HB   CYS   7          1HB       CYS   7   1.837  -0.906   3.156
   52    H    LYS   8           H        LYS   8   4.963  -0.471   4.545
   53    HA   LYS   8           HA       LYS   8   6.267   2.135   4.960
   54   1HB   LYS   8          2HB       LYS   8   7.243  -0.589   5.862
   55   2HB   LYS   8          1HB       LYS   8   8.107   0.929   6.070
   56   1HG   LYS   8          2HG       LYS   8   5.546   1.306   7.179
   57   2HG   LYS   8          1HG       LYS   8   6.121  -0.264   7.743
   58   1HD   LYS   8          2HD       LYS   8   6.848   1.346   9.330
   59   2HD   LYS   8          1HD       LYS   8   8.270   0.878   8.395
   60   1HE   LYS   8          2HE       LYS   8   8.495   2.927   7.466
   61   2HE   LYS   8          1HE       LYS   8   6.754   3.180   7.348
   62   1HZ   LYS   8          1HZ       LYS   8   7.239   4.678   8.960
   63   2HZ   LYS   8          2HZ       LYS   8   8.585   3.828   9.530
   64   3HZ   LYS   8          3HZ       LYS   8   7.027   3.330   9.963
   65    H    THR   9           H        THR   9   6.617  -1.122   3.565
   66    HA   THR   9           HA       THR   9   8.299   0.015   1.433
   67    HB   THR   9           HB       THR   9   8.213  -2.936   1.942
   68    HG1  THR   9           1HG      THR   9   9.234  -2.806   3.762
   69   1HG2  THR   9          1HG2      THR   9  10.011  -1.022   0.642
   70   2HG2  THR   9          2HG2      THR   9   9.707  -2.725   0.294
   71   3HG2  THR   9          3HG2      THR   9  10.803  -2.275   1.600
   72    H    ASP  10           H        ASP  10   8.089  -1.696  -0.592
   73    HA   ASP  10           HA       ASP  10   5.597  -1.175  -1.729
   74   1HB   ASP  10          2HB       ASP  10   7.748  -3.149  -2.494
   75   2HB   ASP  10          1HB       ASP  10   6.297  -2.905  -3.461
   76    H    ARG  11           H        ARG  11   6.830  -4.399  -0.785
   77    HA   ARG  11           HA       ARG  11   4.309  -5.675  -1.099
   78   1HB   ARG  11          2HB       ARG  11   5.445  -7.554   0.190
   79   2HB   ARG  11          1HB       ARG  11   6.165  -7.075  -1.338
   80   1HG   ARG  11          2HG       ARG  11   8.092  -6.533  -0.367
   81   2HG   ARG  11          1HG       ARG  11   7.287  -5.621   0.911
   82   1HD   ARG  11          2HD       ARG  11   8.183  -7.279   2.182
   83   2HD   ARG  11          1HD       ARG  11   6.673  -8.071   1.740
   84    HE   ARG  11           HE       ARG  11   9.339  -8.663   0.688
   85   1HH1  ARG  11          1HH1      ARG  11   5.908  -9.397   0.710
   86   2HH1  ARG  11          2HH1      ARG  11   6.108 -10.927  -0.070
   87   1HH2  ARG  11          1HH2      ARG  11   9.589 -10.682  -0.340
   88   2HH2  ARG  11          2HH2      ARG  11   8.195 -11.657  -0.665
   89    H    ASP  12           H        ASP  12   5.076  -3.504   1.241
   90    HA   ASP  12           HA       ASP  12   4.020  -4.848   3.549
   91   1HB   ASP  12          2HB       ASP  12   4.983  -2.105   2.932
   92   2HB   ASP  12          1HB       ASP  12   3.816  -2.256   4.239
   93    H    CYS  13           H        CYS  13   2.824  -2.894   0.941
   94    HA   CYS  13           HA       CYS  13   0.186  -2.665   2.144
   95   1HB   CYS  13          2HB       CYS  13   1.625  -1.027   0.455
   96   2HB   CYS  13          1HB       CYS  13   0.482  -1.802  -0.638
   97    H    VAL  14           H        VAL  14   1.450  -5.279   1.252
   98    HA   VAL  14           HA       VAL  14   0.378  -6.282  -1.079
   99    HB   VAL  14           HB       VAL  14   1.958  -7.411   0.605
  100   1HG1  VAL  14          1HG1      VAL  14  -0.659  -8.432   1.702
  101   2HG1  VAL  14          2HG1      VAL  14   0.426  -7.311   2.525
  102   3HG1  VAL  14          3HG1      VAL  14   0.958  -8.955   2.176
  103   1HG2  VAL  14          1HG2      VAL  14  -0.133  -8.725  -1.061
  104   2HG2  VAL  14          2HG2      VAL  14   0.945  -9.726  -0.089
  105   3HG2  VAL  14          3HG2      VAL  14   1.612  -8.633  -1.301
  106    H    MET  15           H        MET  15  -1.253  -5.558   1.919
  107    HA   MET  15           HA       MET  15  -3.560  -7.113   1.683
  108   1HB   MET  15          2HB       MET  15  -3.361  -4.293   2.772
  109   2HB   MET  15          1HB       MET  15  -4.648  -5.443   3.106
  110   1HG   MET  15          2HG       MET  15  -1.820  -6.133   3.767
  111   2HG   MET  15          1HG       MET  15  -2.748  -5.079   4.830
  112   1HE   MET  15          1HE       MET  15  -2.084  -7.379   6.695
  113   2HE   MET  15          2HE       MET  15  -1.310  -7.917   5.204
  114   3HE   MET  15          3HE       MET  15  -2.417  -8.992   6.060
  115    H    CYS  16           H        CYS  16  -2.518  -4.311  -0.090
  116    HA   CYS  16           HA       CYS  16  -5.124  -3.736  -1.206
  117   1HB   CYS  16          2HB       CYS  16  -3.166  -2.073  -0.736
  118   2HB   CYS  16          1HB       CYS  16  -2.530  -2.643  -2.273
  119    H    GLY  17           H        GLY  17  -2.033  -5.144  -2.337
  120   1HA   GLY  17          2HA       GLY  17  -3.363  -6.897  -4.142
  121   2HA   GLY  17          1HA       GLY  17  -2.690  -5.529  -5.012
  122    H    LEU  18           H        LEU  18  -1.546  -7.388  -6.052
  123    HA   LEU  18           HA       LEU  18   0.680  -8.481  -4.547
  124   1HB   LEU  18          2HB       LEU  18  -0.381  -9.011  -7.313
  125   2HB   LEU  18          1HB       LEU  18   1.135  -9.681  -6.743
  126    HG   LEU  18           HG       LEU  18  -1.020 -10.213  -4.873
  127   1HD1  LEU  18          1HD1      LEU  18  -1.864 -12.033  -6.639
  128   2HD1  LEU  18          2HD1      LEU  18  -1.501 -10.709  -7.746
  129   3HD1  LEU  18          3HD1      LEU  18  -2.643 -10.465  -6.425
  130   1HD2  LEU  18          1HD2      LEU  18   1.154 -11.668  -6.283
  131   2HD2  LEU  18          2HD2      LEU  18  -0.175 -12.610  -5.608
  132   3HD2  LEU  18          3HD2      LEU  18   0.787 -11.568  -4.560
  133    H    GLY  19           H        GLY  19   1.790  -6.532  -4.243
  134   1HA   GLY  19          2HA       GLY  19   3.883  -5.539  -4.880
  135   2HA   GLY  19          1HA       GLY  19   3.425  -5.745  -6.566
  136    H    ILE  20           H        ILE  20   2.798  -3.895  -3.634
  137    HA   ILE  20           HA       ILE  20   1.472  -1.825  -5.250
  138    HB   ILE  20           HB       ILE  20   1.382  -1.767  -2.283
  139   1HG1  ILE  20          2HG1      ILE  20   0.940  -4.079  -2.581
  140   2HG1  ILE  20          1HG1      ILE  20  -0.615  -3.288  -2.337
  141   1HG2  ILE  20          1HG2      ILE  20   0.225   0.006  -3.174
  142   2HG2  ILE  20          2HG2      ILE  20  -1.064  -1.179  -2.962
  143   3HG2  ILE  20          3HG2      ILE  20  -0.352  -0.927  -4.554
  144   1HD1  ILE  20          1HD1      ILE  20  -1.360  -4.148  -4.228
  145   2HD1  ILE  20          2HD1      ILE  20   0.191  -4.944  -4.475
  146   3HD1  ILE  20          3HD1      ILE  20  -0.085  -3.330  -5.124
  147    H    SER  21           H        SER  21   2.026   0.338  -5.023
  148    HA   SER  21           HA       SER  21   4.746   0.816  -4.088
  149   1HB   SER  21          2HB       SER  21   2.857   2.729  -5.491
  150   2HB   SER  21          1HB       SER  21   4.589   2.949  -5.243
  151    HG   SER  21           HG       SER  21   5.007   1.371  -6.706
  152    H    CYS  22           H        CYS  22   5.195   1.845  -2.210
  153    HA   CYS  22           HA       CYS  22   2.906   2.714  -0.614
  154   1HB   CYS  22          2HB       CYS  22   4.761   1.060   0.175
  155   2HB   CYS  22          1HB       CYS  22   5.697   2.524   0.460
  156    H    LYS  23           H        LYS  23   2.491   4.731  -0.101
  157    HA   LYS  23           HA       LYS  23   4.309   6.852  -0.982
  158   1HB   LYS  23          2HB       LYS  23   2.439   8.317  -0.924
  159   2HB   LYS  23          1HB       LYS  23   1.851   6.824  -1.638
  160   1HG   LYS  23          2HG       LYS  23   1.155   6.260   0.815
  161   2HG   LYS  23          1HG       LYS  23   1.260   8.006   1.035
  162   1HD   LYS  23          2HD       LYS  23  -0.156   7.388  -1.391
  163   2HD   LYS  23          1HD       LYS  23  -0.879   6.535  -0.027
  164   1HE   LYS  23          2HE       LYS  23  -1.616   8.437   0.941
  165   2HE   LYS  23          1HE       LYS  23  -0.190   9.357   0.463
  166   1HZ   LYS  23          1HZ       LYS  23  -2.343   8.581  -1.426
  167   2HZ   LYS  23          2HZ       LYS  23  -1.075   9.668  -1.703
  168   3HZ   LYS  23          3HZ       LYS  23  -2.305  10.065  -0.613
  169    H    ASN  24           H        ASN  24   3.262   8.800   0.861
  170    HA   ASN  24           HA       ASN  24   5.066   8.646   2.939
  171   1HB   ASN  24          2HB       ASN  24   3.518  10.616   1.956
  172   2HB   ASN  24          1HB       ASN  24   2.617  10.245   3.422
  173   1HD2  ASN  24          1HD2      ASN  24   3.226  11.264   5.199
  174   2HD2  ASN  24          2HD2      ASN  24   4.762  12.009   5.462
  175    H    GLY  25           H        GLY  25   4.453   6.321   3.411
  176   1HA   GLY  25          2HA       GLY  25   3.961   4.928   5.197
  177   2HA   GLY  25          1HA       GLY  25   3.094   6.251   5.959
  178    H    TYR  26           H        TYR  26   2.173   5.598   2.688
  179    HA   TYR  26           HA       TYR  26   0.039   3.794   3.541
  180   1HB   TYR  26          2HB       TYR  26  -0.459   6.531   2.373
  181   2HB   TYR  26          1HB       TYR  26  -1.681   5.262   2.400
  182    HD1  TYR  26           1HD      TYR  26  -0.457   8.050   4.114
  183    HD2  TYR  26           2HD      TYR  26  -2.012   4.149   4.795
  184    HE1  TYR  26           1HE      TYR  26  -1.087   8.704   6.398
  185    HE2  TYR  26           2HE      TYR  26  -2.641   4.788   7.078
  186    HH   TYR  26           HH       TYR  26  -1.488   7.115   8.726
  187    H    CYS  27           H        CYS  27  -1.555   3.638   1.423
  188    HA   CYS  27           HA       CYS  27   0.149   2.399  -0.564
  189   1HB   CYS  27          2HB       CYS  27  -2.475   1.965   0.447
  190   2HB   CYS  27          1HB       CYS  27  -2.611   2.264  -1.278
  191    H    GLN  28           H        GLN  28   0.389   2.988  -2.654
  192    HA   GLN  28           HA       GLN  28  -0.490   5.666  -3.400
  193   1HB   GLN  28          2HB       GLN  28   1.651   3.810  -4.243
  194   2HB   GLN  28          1HB       GLN  28   0.955   4.786  -5.522
  195   1HG   GLN  28          2HG       GLN  28   1.385   6.786  -4.002
  196   2HG   GLN  28          1HG       GLN  28   2.393   5.691  -3.056
  197   1HE2  GLN  28          1HE2      GLN  28   4.311   4.902  -3.949
  198   2HE2  GLN  28          2HE2      GLN  28   5.037   5.624  -5.340
  199    H    GLY  29           H        GLY  29  -0.712   2.320  -4.563
  200   1HA   GLY  29          2HA       GLY  29  -3.292   2.334  -5.465
  201   2HA   GLY  29          1HA       GLY  29  -2.361   2.965  -6.819
  202    H    CYS  30           H        CYS  30  -3.384   0.175  -5.181
  203    HA   CYS  30           HA       CYS  30  -1.315  -1.566  -6.169
  204   1HB   CYS  30          2HB       CYS  30  -2.772  -3.372  -5.193
  205   2HB   CYS  30          1HB       CYS  30  -2.265  -2.131  -4.056
  206    H    THR  31           H        THR  31  -3.937  -3.463  -6.581
  207    HA   THR  31           HA       THR  31  -3.880  -3.090  -9.480
  208    HB   THR  31           HB       THR  31  -4.561  -5.348  -9.695
  209    HG1  THR  31           1HG      THR  31  -5.471  -5.056  -7.060
  210   1HG2  THR  31          1HG2      THR  31  -3.095  -6.070  -7.315
  211   2HG2  THR  31          2HG2      THR  31  -2.290  -4.784  -8.215
  212   3HG2  THR  31          3HG2      THR  31  -2.685  -6.305  -9.014
  Start of MODEL    8
    1   1H    THR   1          1HT       THR   1  -9.741  -0.223  -3.233
    2   2H    THR   1          2HT       THR   1  -9.374  -0.242  -1.556
    3   3H    THR   1          3HT       THR   1  -8.165  -0.639  -2.708
    4    HA   THR   1           HA       THR   1  -8.322   1.593  -3.603
    5    HB   THR   1           HB       THR   1 -10.636   2.005  -2.843
    6    HG1  THR   1           1HG      THR   1 -10.230   4.060  -2.798
    7   1HG2  THR   1          1HG2      THR   1  -9.602   1.353  -0.262
    8   2HG2  THR   1          2HG2      THR   1 -11.268   1.640  -0.760
    9   3HG2  THR   1          3HG2      THR   1 -10.258   2.990  -0.243
   10    HA   PRO   2           HA       PRO   2  -4.869   1.978  -0.807
   11   1HB   PRO   2          2HB       PRO   2  -3.585   3.987  -2.012
   12   2HB   PRO   2          1HB       PRO   2  -3.748   2.413  -2.799
   13   1HG   PRO   2          2HG       PRO   2  -5.292   4.934  -3.259
   14   2HG   PRO   2          1HG       PRO   2  -4.672   3.769  -4.443
   15   1HD   PRO   2          2HD       PRO   2  -7.278   3.849  -3.521
   16   2HD   PRO   2          1HD       PRO   2  -6.501   2.424  -4.239
   17    H    TYR   3           H        TYR   3  -7.293   3.200   0.126
   18    HA   TYR   3           HA       TYR   3  -6.443   5.818   1.097
   19   1HB   TYR   3          2HB       TYR   3  -8.983   4.547   0.558
   20   2HB   TYR   3          1HB       TYR   3  -8.942   5.171   2.203
   21    HD1  TYR   3           1HD      TYR   3  -9.307   5.994  -1.268
   22    HD2  TYR   3           2HD      TYR   3  -8.332   7.620   2.542
   23    HE1  TYR   3           1HE      TYR   3  -9.765   8.254  -2.120
   24    HE2  TYR   3           2HE      TYR   3  -8.790   9.884   1.700
   25    HH   TYR   3           HH       TYR   3 -10.431  10.494  -1.147
   26    HA   PRO   4           HA       PRO   4  -6.760   3.437   5.165
   27   1HB   PRO   4          2HB       PRO   4  -8.146   1.181   5.407
   28   2HB   PRO   4          1HB       PRO   4  -8.973   2.730   5.198
   29   1HG   PRO   4          2HG       PRO   4  -8.547   0.532   3.242
   30   2HG   PRO   4          1HG       PRO   4  -9.905   1.660   3.389
   31   1HD   PRO   4          2HD       PRO   4  -7.696   1.853   1.617
   32   2HD   PRO   4          1HD       PRO   4  -8.956   3.070   1.896
   33    H    VAL   5           H        VAL   5  -5.326   2.117   2.501
   34    HA   VAL   5           HA       VAL   5  -4.213  -0.203   3.900
   35    HB   VAL   5           HB       VAL   5  -3.050   0.270   1.281
   36   1HG1  VAL   5          1HG1      VAL   5  -4.774  -2.059   1.678
   37   2HG1  VAL   5          2HG1      VAL   5  -3.539  -1.851   2.918
   38   3HG1  VAL   5          3HG1      VAL   5  -3.073  -1.963   1.222
   39   1HG2  VAL   5          1HG2      VAL   5  -5.222   1.355   0.829
   40   2HG2  VAL   5          2HG2      VAL   5  -6.047  -0.110   1.359
   41   3HG2  VAL   5          3HG2      VAL   5  -5.026  -0.145  -0.078
   42    H    ASN   6           H        ASN   6  -2.737   0.442   5.325
   43    HA   ASN   6           HA       ASN   6  -0.811   2.512   4.642
   44   1HB   ASN   6          2HB       ASN   6  -0.018   2.179   7.006
   45   2HB   ASN   6          1HB       ASN   6  -1.688   2.701   6.853
   46   1HD2  ASN   6          1HD2      ASN   6  -1.226   1.766   9.189
   47   2HD2  ASN   6          2HD2      ASN   6  -1.763   0.138   9.406
   48    H    CYS   7           H        CYS   7   1.518   2.130   5.224
   49    HA   CYS   7           HA       CYS   7   2.623  -0.453   5.366
   50   1HB   CYS   7          2HB       CYS   7   3.606  -0.549   3.028
   51   2HB   CYS   7          1HB       CYS   7   1.890  -0.908   3.142
   52    H    LYS   8           H        LYS   8   4.976  -0.471   4.586
   53    HA   LYS   8           HA       LYS   8   6.240   2.131   5.135
   54   1HB   LYS   8          2HB       LYS   8   7.144  -0.631   5.981
   55   2HB   LYS   8          1HB       LYS   8   8.119   0.822   6.148
   56   1HG   LYS   8          2HG       LYS   8   5.616   1.370   7.331
   57   2HG   LYS   8          1HG       LYS   8   6.129  -0.218   7.903
   58   1HD   LYS   8          2HD       LYS   8   6.934   1.532   9.389
   59   2HD   LYS   8          1HD       LYS   8   8.285   0.733   8.585
   60   1HE   LYS   8          2HE       LYS   8   8.931   2.619   7.570
   61   2HE   LYS   8          1HE       LYS   8   7.283   3.027   7.097
   62   1HZ   LYS   8          1HZ       LYS   8   7.958   4.726   8.533
   63   2HZ   LYS   8          2HZ       LYS   8   8.667   3.657   9.635
   64   3HZ   LYS   8          3HZ       LYS   8   6.983   3.735   9.498
   65    H    THR   9           H        THR   9   6.650  -1.054   3.612
   66    HA   THR   9           HA       THR   9   8.373   0.185   1.571
   67    HB   THR   9           HB       THR   9   9.517  -1.865   1.293
   68    HG1  THR   9           1HG      THR   9   7.592  -3.133   2.947
   69   1HG2  THR   9          1HG2      THR   9  10.136  -2.636   3.604
   70   2HG2  THR   9          2HG2      THR   9   8.966  -1.466   4.216
   71   3HG2  THR   9          3HG2      THR   9  10.356  -0.917   3.278
   72    H    ASP  10           H        ASP  10   8.266  -1.532  -0.472
   73    HA   ASP  10           HA       ASP  10   5.812  -0.997  -1.704
   74   1HB   ASP  10          2HB       ASP  10   8.239  -2.533  -2.386
   75   2HB   ASP  10          1HB       ASP  10   6.775  -3.034  -3.226
   76    H    ARG  11           H        ARG  11   7.056  -4.240  -0.813
   77    HA   ARG  11           HA       ARG  11   4.523  -5.477  -1.196
   78   1HB   ARG  11          2HB       ARG  11   7.193  -6.322  -0.725
   79   2HB   ARG  11          1HB       ARG  11   6.170  -7.087   0.484
   80   1HG   ARG  11          2HG       ARG  11   4.853  -7.270  -2.024
   81   2HG   ARG  11          1HG       ARG  11   6.525  -7.791  -2.236
   82   1HD   ARG  11          2HD       ARG  11   5.104  -8.804   0.154
   83   2HD   ARG  11          1HD       ARG  11   4.565  -9.422  -1.405
   84    HE   ARG  11           HE       ARG  11   7.246  -9.726  -1.531
   85   1HH1  ARG  11          1HH1      ARG  11   4.860 -10.688   0.846
   86   2HH1  ARG  11          2HH1      ARG  11   5.754 -12.077   1.361
   87   1HH2  ARG  11          1HH2      ARG  11   8.418 -11.563  -0.846
   88   2HH2  ARG  11          2HH2      ARG  11   7.771 -12.574   0.402
   89    H    ASP  12           H        ASP  12   5.210  -3.363   1.191
   90    HA   ASP  12           HA       ASP  12   4.210  -4.840   3.453
   91   1HB   ASP  12          2HB       ASP  12   5.237  -2.133   2.967
   92   2HB   ASP  12          1HB       ASP  12   3.909  -2.191   4.120
   93    H    CYS  13           H        CYS  13   2.972  -2.848   0.903
   94    HA   CYS  13           HA       CYS  13   0.322  -2.732   2.096
   95   1HB   CYS  13          2HB       CYS  13   1.713  -1.001   0.462
   96   2HB   CYS  13          1HB       CYS  13   0.611  -1.789  -0.660
   97    H    VAL  14           H        VAL  14   1.700  -5.270   1.138
   98    HA   VAL  14           HA       VAL  14   0.671  -6.247  -1.223
   99    HB   VAL  14           HB       VAL  14   2.301  -7.364   0.412
  100   1HG1  VAL  14          1HG1      VAL  14   1.584  -8.566   2.193
  101   2HG1  VAL  14          2HG1      VAL  14   0.028  -8.943   1.456
  102   3HG1  VAL  14          3HG1      VAL  14   0.301  -7.357   2.174
  103   1HG2  VAL  14          1HG2      VAL  14   1.358  -9.698  -0.323
  104   2HG2  VAL  14          2HG2      VAL  14   1.982  -8.556  -1.514
  105   3HG2  VAL  14          3HG2      VAL  14   0.242  -8.708  -1.265
  106    H    MET  15           H        MET  15  -0.992  -5.653   1.781
  107    HA   MET  15           HA       MET  15  -3.227  -7.310   1.495
  108   1HB   MET  15          2HB       MET  15  -3.246  -4.514   2.650
  109   2HB   MET  15          1HB       MET  15  -4.362  -5.820   3.018
  110   1HG   MET  15          2HG       MET  15  -3.037  -6.614   4.606
  111   2HG   MET  15          1HG       MET  15  -1.637  -6.608   3.539
  112   1HE   MET  15          1HE       MET  15  -3.384  -5.523   6.326
  113   2HE   MET  15          2HE       MET  15  -3.522  -3.769   6.202
  114   3HE   MET  15          3HE       MET  15  -2.230  -4.486   7.166
  115    H    CYS  16           H        CYS  16  -2.306  -4.400  -0.171
  116    HA   CYS  16           HA       CYS  16  -4.934  -3.905  -1.273
  117   1HB   CYS  16          2HB       CYS  16  -3.058  -2.172  -0.735
  118   2HB   CYS  16          1HB       CYS  16  -2.388  -2.657  -2.288
  119    H    GLY  17           H        GLY  17  -1.782  -5.123  -2.443
  120   1HA   GLY  17          2HA       GLY  17  -3.046  -6.849  -4.333
  121   2HA   GLY  17          1HA       GLY  17  -2.375  -5.436  -5.131
  122    H    LEU  18           H        LEU  18  -1.174  -7.253  -6.206
  123    HA   LEU  18           HA       LEU  18   1.030  -8.343  -4.670
  124   1HB   LEU  18          2HB       LEU  18   0.344  -8.769  -7.577
  125   2HB   LEU  18          1HB       LEU  18   1.537  -9.660  -6.650
  126    HG   LEU  18           HG       LEU  18  -1.407  -9.676  -5.995
  127   1HD1  LEU  18          1HD1      LEU  18  -0.467 -10.664  -8.301
  128   2HD1  LEU  18          2HD1      LEU  18  -1.785 -11.407  -7.396
  129   3HD1  LEU  18          3HD1      LEU  18  -0.146 -12.037  -7.240
  130   1HD2  LEU  18          1HD2      LEU  18   0.628 -10.357  -4.391
  131   2HD2  LEU  18          2HD2      LEU  18   0.421 -11.879  -5.257
  132   3HD2  LEU  18          3HD2      LEU  18  -0.933 -11.177  -4.369
  133    H    GLY  19           H        GLY  19   2.073  -6.359  -4.280
  134   1HA   GLY  19          2HA       GLY  19   4.166  -5.314  -4.819
  135   2HA   GLY  19          1HA       GLY  19   3.781  -5.508  -6.524
  136    H    ILE  20           H        ILE  20   2.983  -3.710  -3.599
  137    HA   ILE  20           HA       ILE  20   1.704  -1.641  -5.250
  138    HB   ILE  20           HB       ILE  20   1.476  -1.603  -2.293
  139   1HG1  ILE  20          2HG1      ILE  20   1.123  -3.932  -2.625
  140   2HG1  ILE  20          1HG1      ILE  20  -0.460  -3.188  -2.421
  141   1HG2  ILE  20          1HG2      ILE  20   0.325   0.140  -3.282
  142   2HG2  ILE  20          2HG2      ILE  20  -0.940  -1.064  -3.042
  143   3HG2  ILE  20          3HG2      ILE  20  -0.215  -0.853  -4.636
  144   1HD1  ILE  20          1HD1      ILE  20   0.455  -4.807  -4.543
  145   2HD1  ILE  20          2HD1      ILE  20   0.158  -3.195  -5.192
  146   3HD1  ILE  20          3HD1      ILE  20  -1.123  -4.053  -4.342
  147    H    SER  21           H        SER  21   2.263   0.516  -5.029
  148    HA   SER  21           HA       SER  21   4.924   1.008  -3.959
  149   1HB   SER  21          2HB       SER  21   3.067   2.923  -5.404
  150   2HB   SER  21          1HB       SER  21   4.781   3.170  -5.073
  151    HG   SER  21           HG       SER  21   3.548   1.619  -7.010
  152    H    CYS  22           H        CYS  22   5.294   1.986  -2.042
  153    HA   CYS  22           HA       CYS  22   2.956   2.806  -0.503
  154   1HB   CYS  22          2HB       CYS  22   4.830   1.188   0.314
  155   2HB   CYS  22          1HB       CYS  22   5.723   2.670   0.639
  156    H    LYS  23           H        LYS  23   2.462   4.813  -0.038
  157    HA   LYS  23           HA       LYS  23   4.279   6.976  -0.808
  158   1HB   LYS  23          2HB       LYS  23   2.372   8.406  -0.823
  159   2HB   LYS  23          1HB       LYS  23   1.890   6.921  -1.626
  160   1HG   LYS  23          2HG       LYS  23   1.040   6.264   0.768
  161   2HG   LYS  23          1HG       LYS  23   1.045   8.012   1.013
  162   1HD   LYS  23          2HD       LYS  23  -0.183   7.047  -1.492
  163   2HD   LYS  23          1HD       LYS  23  -1.044   6.658  -0.002
  164   1HE   LYS  23          2HE       LYS  23  -0.439   9.269   0.415
  165   2HE   LYS  23          1HE       LYS  23  -0.632   9.247  -1.338
  166   1HZ   LYS  23          1HZ       LYS  23  -2.720   9.735  -0.244
  167   2HZ   LYS  23          2HZ       LYS  23  -2.633   8.298   0.643
  168   3HZ   LYS  23          3HZ       LYS  23  -2.821   8.243  -1.036
  169    H    ASN  24           H        ASN  24   3.024   8.868   0.994
  170    HA   ASN  24           HA       ASN  24   4.733   8.835   3.141
  171   1HB   ASN  24          2HB       ASN  24   2.280  10.333   2.435
  172   2HB   ASN  24          1HB       ASN  24   2.740  10.360   4.133
  173   1HD2  ASN  24          1HD2      ASN  24   4.260  11.757   4.756
  174   2HD2  ASN  24          2HD2      ASN  24   5.267  12.673   3.692
  175    H    GLY  25           H        GLY  25   4.306   6.433   3.543
  176   1HA   GLY  25          2HA       GLY  25   3.852   4.924   5.227
  177   2HA   GLY  25          1HA       GLY  25   2.957   6.179   6.067
  178    H    TYR  26           H        TYR  26   2.045   5.616   2.771
  179    HA   TYR  26           HA       TYR  26  -0.056   3.750   3.579
  180   1HB   TYR  26          2HB       TYR  26  -0.579   6.499   2.457
  181   2HB   TYR  26          1HB       TYR  26  -1.778   5.208   2.415
  182    HD1  TYR  26           1HD      TYR  26  -0.746   7.996   4.203
  183    HD2  TYR  26           2HD      TYR  26  -2.060   3.995   4.804
  184    HE1  TYR  26           1HE      TYR  26  -1.453   8.576   6.485
  185    HE2  TYR  26           2HE      TYR  26  -2.765   4.559   7.084
  186    HH   TYR  26           HH       TYR  26  -2.112   6.351   8.831
  187    H    CYS  27           H        CYS  27  -1.602   3.522   1.479
  188    HA   CYS  27           HA       CYS  27   0.141   2.377  -0.523
  189   1HB   CYS  27          2HB       CYS  27  -2.469   1.847   0.476
  190   2HB   CYS  27          1HB       CYS  27  -2.615   2.168  -1.245
  191    H    GLN  28           H        GLN  28   0.333   2.971  -2.626
  192    HA   GLN  28           HA       GLN  28  -0.581   5.647  -3.328
  193   1HB   GLN  28          2HB       GLN  28   1.543   3.797  -4.257
  194   2HB   GLN  28          1HB       GLN  28   0.845   4.850  -5.472
  195   1HG   GLN  28          2HG       GLN  28   1.330   6.764  -3.878
  196   2HG   GLN  28          1HG       GLN  28   2.309   5.611  -2.971
  197   1HE2  GLN  28          1HE2      GLN  28   4.360   5.364  -3.557
  198   2HE2  GLN  28          2HE2      GLN  28   5.054   5.911  -5.042
  199    H    GLY  29           H        GLY  29  -0.698   2.339  -4.619
  200   1HA   GLY  29          2HA       GLY  29  -3.318   2.311  -5.464
  201   2HA   GLY  29          1HA       GLY  29  -2.402   2.970  -6.816
  202    H    CYS  30           H        CYS  30  -3.335   0.145  -5.160
  203    HA   CYS  30           HA       CYS  30  -1.253  -1.544  -6.199
  204   1HB   CYS  30          2HB       CYS  30  -2.645  -3.381  -5.198
  205   2HB   CYS  30          1HB       CYS  30  -2.168  -2.122  -4.069
  206    H    THR  31           H        THR  31  -3.819  -3.505  -6.577
  207    HA   THR  31           HA       THR  31  -4.361  -2.736  -9.352
  208    HB   THR  31           HB       THR  31  -2.701  -4.344  -9.719
  209    HG1  THR  31           1HG      THR  31  -4.776  -4.891 -10.718
  210   1HG2  THR  31          1HG2      THR  31  -2.523  -6.492  -8.587
  211   2HG2  THR  31          2HG2      THR  31  -3.891  -6.069  -7.558
  212   3HG2  THR  31          3HG2      THR  31  -2.389  -5.152  -7.449
  Start of MODEL    9
    1   1H    THR   1          1HT       THR   1  -8.898  -0.417  -1.643
    2   2H    THR   1          2HT       THR   1  -8.193  -0.412  -3.207
    3   3H    THR   1          3HT       THR   1  -9.879  -0.148  -3.024
    4    HA   THR   1           HA       THR   1  -8.495   1.841  -3.477
    5    HB   THR   1           HB       THR   1  -9.884   2.153  -0.848
    6    HG1  THR   1           1HG      THR   1 -11.846   1.657  -1.698
    7   1HG2  THR   1          1HG2      THR   1 -11.118   3.652  -2.864
    8   2HG2  THR   1          2HG2      THR   1  -9.381   3.790  -3.136
    9   3HG2  THR   1          3HG2      THR   1 -10.066   4.229  -1.571
   10    HA   PRO   2           HA       PRO   2  -4.930   2.077  -0.768
   11   1HB   PRO   2          2HB       PRO   2  -3.688   4.118  -1.964
   12   2HB   PRO   2          1HB       PRO   2  -3.847   2.554  -2.770
   13   1HG   PRO   2          2HG       PRO   2  -5.433   5.060  -3.165
   14   2HG   PRO   2          1HG       PRO   2  -4.809   3.928  -4.378
   15   1HD   PRO   2          2HD       PRO   2  -7.402   3.943  -3.434
   16   2HD   PRO   2          1HD       PRO   2  -6.603   2.536  -4.166
   17    H    TYR   3           H        TYR   3  -7.353   3.265   0.231
   18    HA   TYR   3           HA       TYR   3  -6.510   5.877   1.222
   19   1HB   TYR   3          2HB       TYR   3  -9.000   4.804   0.542
   20   2HB   TYR   3          1HB       TYR   3  -9.018   4.884   2.300
   21    HD1  TYR   3           1HD      TYR   3  -7.661   7.291   3.005
   22    HD2  TYR   3           2HD      TYR   3 -10.181   6.575  -0.349
   23    HE1  TYR   3           1HE      TYR   3  -8.192   9.690   2.898
   24    HE2  TYR   3           2HE      TYR   3 -10.716   8.971  -0.465
   25    HH   TYR   3           HH       TYR   3  -9.570  11.157   0.274
   26    HA   PRO   4           HA       PRO   4  -6.651   3.420   5.256
   27   1HB   PRO   4          2HB       PRO   4  -8.016   1.150   5.503
   28   2HB   PRO   4          1HB       PRO   4  -8.857   2.696   5.349
   29   1HG   PRO   4          2HG       PRO   4  -8.507   0.527   3.354
   30   2HG   PRO   4          1HG       PRO   4  -9.839   1.678   3.543
   31   1HD   PRO   4          2HD       PRO   4  -7.639   1.844   1.736
   32   2HD   PRO   4          1HD       PRO   4  -8.909   3.051   2.005
   33    H    VAL   5           H        VAL   5  -5.259   2.192   2.550
   34    HA   VAL   5           HA       VAL   5  -4.092  -0.148   3.880
   35    HB   VAL   5           HB       VAL   5  -3.035   0.320   1.227
   36   1HG1  VAL   5          1HG1      VAL   5  -3.042  -1.905   1.213
   37   2HG1  VAL   5          2HG1      VAL   5  -4.762  -1.988   1.593
   38   3HG1  VAL   5          3HG1      VAL   5  -3.579  -1.804   2.889
   39   1HG2  VAL   5          1HG2      VAL   5  -5.044  -0.035  -0.080
   40   2HG2  VAL   5          2HG2      VAL   5  -5.220   1.439   0.871
   41   3HG2  VAL   5          3HG2      VAL   5  -6.030  -0.040   1.382
   42    H    ASN   6           H        ASN   6  -2.607   0.572   5.271
   43    HA   ASN   6           HA       ASN   6  -0.679   2.600   4.470
   44   1HB   ASN   6          2HB       ASN   6   0.162   2.342   6.829
   45   2HB   ASN   6          1HB       ASN   6  -1.505   2.879   6.693
   46   1HD2  ASN   6          1HD2      ASN   6   0.398   1.031   8.490
   47   2HD2  ASN   6          2HD2      ASN   6  -0.707  -0.204   8.977
   48    H    CYS   7           H        CYS   7   1.662   2.205   4.999
   49    HA   CYS   7           HA       CYS   7   2.723  -0.393   5.215
   50   1HB   CYS   7          2HB       CYS   7   3.635  -0.596   2.854
   51   2HB   CYS   7          1HB       CYS   7   1.921  -0.926   3.035
   52    H    LYS   8           H        LYS   8   5.039  -0.501   4.369
   53    HA   LYS   8           HA       LYS   8   6.391   2.082   4.776
   54   1HB   LYS   8          2HB       LYS   8   7.498  -0.622   5.562
   55   2HB   LYS   8          1HB       LYS   8   8.155   0.961   5.959
   56   1HG   LYS   8          2HG       LYS   8   6.662   1.322   7.638
   57   2HG   LYS   8          1HG       LYS   8   5.402   0.350   6.877
   58   1HD   LYS   8          2HD       LYS   8   5.921  -1.211   8.389
   59   2HD   LYS   8          1HD       LYS   8   7.359  -1.504   7.410
   60   1HE   LYS   8          2HE       LYS   8   7.326   0.599   9.551
   61   2HE   LYS   8          1HE       LYS   8   7.653  -1.091   9.935
   62   1HZ   LYS   8          1HZ       LYS   8   9.297   0.840   8.494
   63   2HZ   LYS   8          2HZ       LYS   8   9.350  -0.758   7.944
   64   3HZ   LYS   8          3HZ       LYS   8   9.758  -0.402   9.546
   65    H    THR   9           H        THR   9   6.648  -1.162   3.338
   66    HA   THR   9           HA       THR   9   8.325  -0.043   1.192
   67    HB   THR   9           HB       THR   9   8.233  -2.987   1.525
   68    HG1  THR   9           1HG      THR   9   8.488  -2.626   3.645
   69   1HG2  THR   9          1HG2      THR   9   9.805  -2.446  -0.027
   70   2HG2  THR   9          2HG2      THR   9  10.802  -2.481   1.426
   71   3HG2  THR   9          3HG2      THR   9  10.244  -0.939   0.778
   72    H    ASP  10           H        ASP  10   8.075  -1.764  -0.816
   73    HA   ASP  10           HA       ASP  10   5.556  -1.222  -1.911
   74   1HB   ASP  10          2HB       ASP  10   7.974  -2.627  -2.744
   75   2HB   ASP  10          1HB       ASP  10   6.513  -3.367  -3.391
   76    H    ARG  11           H        ARG  11   6.856  -4.408  -0.938
   77    HA   ARG  11           HA       ARG  11   4.357  -5.740  -1.239
   78   1HB   ARG  11          2HB       ARG  11   5.480  -7.635  -0.149
   79   2HB   ARG  11          1HB       ARG  11   6.422  -6.956  -1.466
   80   1HG   ARG  11          2HG       ARG  11   8.151  -6.808  -0.095
   81   2HG   ARG  11          1HG       ARG  11   7.258  -5.622   0.858
   82   1HD   ARG  11          2HD       ARG  11   6.696  -7.132   2.460
   83   2HD   ARG  11          1HD       ARG  11   6.593  -8.469   1.315
   84    HE   ARG  11           HE       ARG  11   8.799  -8.945   1.709
   85   1HH1  ARG  11          1HH1      ARG  11   8.074  -5.784   3.037
   86   2HH1  ARG  11          2HH1      ARG  11   9.598  -5.637   3.843
   87   1HH2  ARG  11          1HH2      ARG  11  10.809  -8.744   2.769
   88   2HH2  ARG  11          2HH2      ARG  11  11.154  -7.319   3.690
   89    H    ASP  12           H        ASP  12   5.122  -3.530   1.061
   90    HA   ASP  12           HA       ASP  12   4.102  -4.863   3.395
   91   1HB   ASP  12          2HB       ASP  12   4.997  -2.092   2.747
   92   2HB   ASP  12          1HB       ASP  12   3.919  -2.308   4.122
   93    H    CYS  13           H        CYS  13   2.895  -2.874   0.810
   94    HA   CYS  13           HA       CYS  13   0.253  -2.685   2.015
   95   1HB   CYS  13          2HB       CYS  13   1.688  -1.017   0.345
   96   2HB   CYS  13          1HB       CYS  13   0.538  -1.776  -0.749
   97    H    VAL  14           H        VAL  14   1.601  -5.252   0.997
   98    HA   VAL  14           HA       VAL  14   0.471  -6.205  -1.327
   99    HB   VAL  14           HB       VAL  14   2.166  -7.400   0.019
  100   1HG1  VAL  14          1HG1      VAL  14   0.705  -9.004   1.730
  101   2HG1  VAL  14          2HG1      VAL  14   0.047  -7.390   1.991
  102   3HG1  VAL  14          3HG1      VAL  14   1.774  -7.678   2.185
  103   1HG2  VAL  14          1HG2      VAL  14   0.800  -9.711  -0.163
  104   2HG2  VAL  14          2HG2      VAL  14   1.483  -8.862  -1.550
  105   3HG2  VAL  14          3HG2      VAL  14  -0.223  -8.668  -1.149
  106    H    MET  15           H        MET  15  -1.053  -5.644   1.760
  107    HA   MET  15           HA       MET  15  -3.321  -7.254   1.568
  108   1HB   MET  15          2HB       MET  15  -2.444  -5.081   3.192
  109   2HB   MET  15          1HB       MET  15  -4.078  -4.718   2.656
  110   1HG   MET  15          2HG       MET  15  -3.503  -7.427   3.739
  111   2HG   MET  15          1HG       MET  15  -3.624  -6.069   4.857
  112   1HE   MET  15          1HE       MET  15  -6.514  -8.141   5.420
  113   2HE   MET  15          2HE       MET  15  -6.755  -6.484   5.974
  114   3HE   MET  15          3HE       MET  15  -5.151  -7.216   6.051
  115    H    CYS  16           H        CYS  16  -2.434  -4.381  -0.174
  116    HA   CYS  16           HA       CYS  16  -5.094  -3.858  -1.182
  117   1HB   CYS  16          2HB       CYS  16  -3.190  -2.142  -0.743
  118   2HB   CYS  16          1HB       CYS  16  -2.553  -2.678  -2.293
  119    H    GLY  17           H        GLY  17  -2.021  -5.182  -2.430
  120   1HA   GLY  17          2HA       GLY  17  -3.383  -6.896  -4.256
  121   2HA   GLY  17          1HA       GLY  17  -2.706  -5.512  -5.095
  122    H    LEU  18           H        LEU  18  -1.586  -7.376  -6.176
  123    HA   LEU  18           HA       LEU  18   0.649  -8.492  -4.701
  124   1HB   LEU  18          2HB       LEU  18  -0.458  -8.989  -7.453
  125   2HB   LEU  18          1HB       LEU  18   1.088  -9.638  -6.944
  126    HG   LEU  18           HG       LEU  18  -0.643 -11.324  -6.731
  127   1HD1  LEU  18          1HD1      LEU  18   1.226 -10.796  -4.892
  128   2HD1  LEU  18          2HD1      LEU  18   0.105 -12.152  -4.769
  129   3HD1  LEU  18          3HD1      LEU  18  -0.217 -10.660  -3.886
  130   1HD2  LEU  18          1HD2      LEU  18  -2.391  -9.398  -6.223
  131   2HD2  LEU  18          2HD2      LEU  18  -2.031  -9.853  -4.557
  132   3HD2  LEU  18          3HD2      LEU  18  -2.649 -11.059  -5.687
  133    H    GLY  19           H        GLY  19   1.748  -6.525  -4.385
  134   1HA   GLY  19          2HA       GLY  19   3.841  -5.532  -5.032
  135   2HA   GLY  19          1HA       GLY  19   3.368  -5.728  -6.715
  136    H    ILE  20           H        ILE  20   2.746  -3.895  -3.763
  137    HA   ILE  20           HA       ILE  20   1.428  -1.814  -5.368
  138    HB   ILE  20           HB       ILE  20   1.335  -1.753  -2.405
  139   1HG1  ILE  20          2HG1      ILE  20   0.931  -4.077  -2.696
  140   2HG1  ILE  20          1HG1      ILE  20  -0.634  -3.308  -2.443
  141   1HG2  ILE  20          1HG2      ILE  20  -1.105  -1.181  -3.050
  142   2HG2  ILE  20          2HG2      ILE  20  -0.449  -0.996  -4.676
  143   3HG2  ILE  20          3HG2      ILE  20   0.167   0.001  -3.358
  144   1HD1  ILE  20          1HD1      ILE  20  -0.107  -3.353  -5.236
  145   2HD1  ILE  20          2HD1      ILE  20  -1.383  -4.165  -4.335
  146   3HD1  ILE  20          3HD1      ILE  20   0.169  -4.963  -4.576
  147    H    SER  21           H        SER  21   2.017   0.336  -5.170
  148    HA   SER  21           HA       SER  21   4.734   0.797  -4.226
  149   1HB   SER  21          2HB       SER  21   2.837   2.681  -5.659
  150   2HB   SER  21          1HB       SER  21   4.550   2.967  -5.353
  151    HG   SER  21           HG       SER  21   4.949   1.061  -6.640
  152    H    CYS  22           H        CYS  22   5.197   1.811  -2.352
  153    HA   CYS  22           HA       CYS  22   2.939   2.750  -0.750
  154   1HB   CYS  22          2HB       CYS  22   4.778   1.058   0.037
  155   2HB   CYS  22          1HB       CYS  22   5.724   2.514   0.322
  156    H    LYS  23           H        LYS  23   2.564   4.812  -0.354
  157    HA   LYS  23           HA       LYS  23   4.550   6.815  -1.161
  158   1HB   LYS  23          2HB       LYS  23   2.647   8.405  -1.112
  159   2HB   LYS  23          1HB       LYS  23   2.402   7.085  -2.236
  160   1HG   LYS  23          2HG       LYS  23   0.369   7.008  -1.300
  161   2HG   LYS  23          1HG       LYS  23   1.191   6.070  -0.056
  162   1HD   LYS  23          2HD       LYS  23   1.048   7.720   1.475
  163   2HD   LYS  23          1HD       LYS  23   1.297   8.992   0.278
  164   1HE   LYS  23          2HE       LYS  23  -1.266   7.431   0.493
  165   2HE   LYS  23          1HE       LYS  23  -0.979   8.923   1.388
  166   1HZ   LYS  23          1HZ       LYS  23  -2.181   9.172  -0.779
  167   2HZ   LYS  23          2HZ       LYS  23  -0.744   8.751  -1.563
  168   3HZ   LYS  23          3HZ       LYS  23  -0.809  10.144  -0.608
  169    H    ASN  24           H        ASN  24   3.303   8.856   0.501
  170    HA   ASN  24           HA       ASN  24   4.912   8.890   2.699
  171   1HB   ASN  24          2HB       ASN  24   2.223  10.224   2.372
  172   2HB   ASN  24          1HB       ASN  24   3.410  10.647   3.602
  173   1HD2  ASN  24          1HD2      ASN  24   2.255  11.390   0.595
  174   2HD2  ASN  24          2HD2      ASN  24   3.599  12.296  -0.002
  175    H    GLY  25           H        GLY  25   4.470   6.492   3.184
  176   1HA   GLY  25          2HA       GLY  25   4.013   5.056   4.931
  177   2HA   GLY  25          1HA       GLY  25   3.132   6.348   5.724
  178    H    TYR  26           H        TYR  26   2.118   5.725   2.485
  179    HA   TYR  26           HA       TYR  26   0.072   3.838   3.390
  180   1HB   TYR  26          2HB       TYR  26  -0.522   6.560   2.239
  181   2HB   TYR  26          1HB       TYR  26  -1.708   5.258   2.269
  182    HD1  TYR  26           1HD      TYR  26  -0.645   8.094   3.947
  183    HD2  TYR  26           2HD      TYR  26  -1.883   4.095   4.700
  184    HE1  TYR  26           1HE      TYR  26  -1.266   8.725   6.239
  185    HE2  TYR  26           2HE      TYR  26  -2.504   4.709   6.993
  186    HH   TYR  26           HH       TYR  26  -2.840   7.883   8.023
  187    H    CYS  27           H        CYS  27  -1.545   3.570   1.346
  188    HA   CYS  27           HA       CYS  27   0.129   2.382  -0.680
  189   1HB   CYS  27          2HB       CYS  27  -2.480   1.926   0.374
  190   2HB   CYS  27          1HB       CYS  27  -2.637   2.206  -1.351
  191    H    GLN  28           H        GLN  28   0.280   2.937  -2.797
  192    HA   GLN  28           HA       GLN  28  -0.602   5.615  -3.522
  193   1HB   GLN  28          2HB       GLN  28   1.457   3.703  -4.490
  194   2HB   GLN  28          1HB       GLN  28   0.779   4.807  -5.668
  195   1HG   GLN  28          2HG       GLN  28   1.341   6.652  -3.983
  196   2HG   GLN  28          1HG       GLN  28   2.347   5.434  -3.201
  197   1HE2  GLN  28          1HE2      GLN  28   4.321   5.019  -4.009
  198   2HE2  GLN  28          2HE2      GLN  28   4.957   5.712  -5.458
  199    H    GLY  29           H        GLY  29  -0.865   2.270  -4.671
  200   1HA   GLY  29          2HA       GLY  29  -3.473   2.265  -5.473
  201   2HA   GLY  29          1HA       GLY  29  -2.603   2.909  -6.860
  202    H    CYS  30           H        CYS  30  -3.532   0.104  -5.191
  203    HA   CYS  30           HA       CYS  30  -1.488  -1.611  -6.270
  204   1HB   CYS  30          2HB       CYS  30  -2.866  -3.431  -5.227
  205   2HB   CYS  30          1HB       CYS  30  -2.352  -2.174  -4.113
  206    H    THR  31           H        THR  31  -4.072  -3.555  -6.577
  207    HA   THR  31           HA       THR  31  -4.176  -3.160  -9.470
  208    HB   THR  31           HB       THR  31  -4.791  -5.432  -9.673
  209    HG1  THR  31           1HG      THR  31  -5.429  -5.315  -6.919
  210   1HG2  THR  31          1HG2      THR  31  -2.849  -6.317  -9.099
  211   2HG2  THR  31          2HG2      THR  31  -3.217  -6.169  -7.382
  212   3HG2  THR  31          3HG2      THR  31  -2.484  -4.818  -8.247
  Start of MODEL   10
    1   1H    THR   1          1HT       THR   1  -7.555   0.139  -3.757
    2   2H    THR   1          2HT       THR   1  -9.251  -0.028  -3.957
    3   3H    THR   1          3HT       THR   1  -8.477  -0.699  -2.579
    4    HA   THR   1           HA       THR   1  -8.795   2.147  -3.257
    5    HB   THR   1           HB       THR   1  -9.848   1.804  -0.791
    6    HG1  THR   1           1HG      THR   1 -10.795  -0.516  -2.037
    7   1HG2  THR   1          1HG2      THR   1 -11.541   1.092  -3.153
    8   2HG2  THR   1          2HG2      THR   1 -10.932   2.728  -2.907
    9   3HG2  THR   1          3HG2      THR   1 -11.978   1.988  -1.698
   10    HA   PRO   2           HA       PRO   2  -4.942   1.963  -0.763
   11   1HB   PRO   2          2HB       PRO   2  -3.578   3.839  -2.091
   12   2HB   PRO   2          1HB       PRO   2  -3.783   2.218  -2.767
   13   1HG   PRO   2          2HG       PRO   2  -5.256   4.742  -3.416
   14   2HG   PRO   2          1HG       PRO   2  -4.639   3.494  -4.513
   15   1HD   PRO   2          2HD       PRO   2  -7.256   3.671  -3.670
   16   2HD   PRO   2          1HD       PRO   2  -6.483   2.179  -4.241
   17    H    TYR   3           H        TYR   3  -7.290   3.267   0.129
   18    HA   TYR   3           HA       TYR   3  -6.399   5.947   0.876
   19   1HB   TYR   3          2HB       TYR   3  -9.013   4.579   0.689
   20   2HB   TYR   3          1HB       TYR   3  -8.837   5.686   2.047
   21    HD1  TYR   3           1HD      TYR   3  -7.770   5.749  -1.543
   22    HD2  TYR   3           2HD      TYR   3  -9.817   7.731   1.618
   23    HE1  TYR   3           1HE      TYR   3  -8.234   7.644  -3.039
   24    HE2  TYR   3           2HE      TYR   3 -10.289   9.630   0.129
   25    HH   TYR   3           HH       TYR   3  -9.991   9.501  -3.174
   26    HA   PRO   4           HA       PRO   4  -6.656   3.866   5.102
   27   1HB   PRO   4          2HB       PRO   4  -8.145   1.720   5.561
   28   2HB   PRO   4          1HB       PRO   4  -8.905   3.280   5.226
   29   1HG   PRO   4          2HG       PRO   4  -8.619   0.898   3.470
   30   2HG   PRO   4          1HG       PRO   4  -9.919   2.100   3.532
   31   1HD   PRO   4          2HD       PRO   4  -7.715   2.026   1.732
   32   2HD   PRO   4          1HD       PRO   4  -8.933   3.304   1.891
   33    H    VAL   5           H        VAL   5  -5.301   2.354   2.539
   34    HA   VAL   5           HA       VAL   5  -4.328   0.024   4.015
   35    HB   VAL   5           HB       VAL   5  -3.166   0.457   1.363
   36   1HG1  VAL   5          1HG1      VAL   5  -4.789  -1.924   1.994
   37   2HG1  VAL   5          2HG1      VAL   5  -3.395  -1.624   3.033
   38   3HG1  VAL   5          3HG1      VAL   5  -3.177  -1.796   1.291
   39   1HG2  VAL   5          1HG2      VAL   5  -5.171  -0.103   0.090
   40   2HG2  VAL   5          2HG2      VAL   5  -5.388   1.429   0.937
   41   3HG2  VAL   5          3HG2      VAL   5  -6.140  -0.038   1.563
   42    H    ASN   6           H        ASN   6  -2.819   0.584   5.421
   43    HA   ASN   6           HA       ASN   6  -0.782   2.550   4.743
   44   1HB   ASN   6          2HB       ASN   6  -0.015   2.148   7.121
   45   2HB   ASN   6          1HB       ASN   6  -1.637   2.805   6.949
   46   1HD2  ASN   6          1HD2      ASN   6  -3.305   1.730   7.828
   47   2HD2  ASN   6          2HD2      ASN   6  -3.188   0.182   8.587
   48    H    CYS   7           H        CYS   7   1.519   2.055   5.303
   49    HA   CYS   7           HA       CYS   7   2.504  -0.571   5.487
   50   1HB   CYS   7          2HB       CYS   7   3.460  -0.762   3.142
   51   2HB   CYS   7          1HB       CYS   7   1.733  -1.051   3.283
   52    H    LYS   8           H        LYS   8   4.846  -0.712   4.682
   53    HA   LYS   8           HA       LYS   8   6.232   1.843   5.159
   54   1HB   LYS   8          2HB       LYS   8   6.806  -0.916   6.213
   55   2HB   LYS   8          1HB       LYS   8   8.091   0.275   6.070
   56   1HG   LYS   8          2HG       LYS   8   6.031   1.623   7.361
   57   2HG   LYS   8          1HG       LYS   8   6.036   0.011   8.078
   58   1HD   LYS   8          2HD       LYS   8   7.506   1.402   9.359
   59   2HD   LYS   8          1HD       LYS   8   8.492   0.258   8.447
   60   1HE   LYS   8          2HE       LYS   8   8.524   2.213   6.680
   61   2HE   LYS   8          1HE       LYS   8   8.165   3.202   8.095
   62   1HZ   LYS   8          1HZ       LYS   8  10.210   2.869   8.956
   63   2HZ   LYS   8          2HZ       LYS   8  10.629   2.600   7.340
   64   3HZ   LYS   8          3HZ       LYS   8  10.346   1.289   8.369
   65    H    THR   9           H        THR   9   6.398  -1.361   3.658
   66    HA   THR   9           HA       THR   9   8.217  -0.281   1.613
   67    HB   THR   9           HB       THR   9   7.985  -3.227   2.016
   68    HG1  THR   9           1HG      THR   9   8.383  -2.875   4.081
   69   1HG2  THR   9          1HG2      THR   9   9.595  -2.998   0.478
   70   2HG2  THR   9          2HG2      THR   9  10.619  -2.683   1.879
   71   3HG2  THR   9          3HG2      THR   9   9.960  -1.337   0.950
   72    H    ASP  10           H        ASP  10   7.998  -1.971  -0.421
   73    HA   ASP  10           HA       ASP  10   5.572  -1.341  -1.640
   74   1HB   ASP  10          2HB       ASP  10   7.876  -3.084  -2.300
   75   2HB   ASP  10          1HB       ASP  10   6.374  -3.431  -3.151
   76    H    ARG  11           H        ARG  11   6.631  -4.638  -0.753
   77    HA   ARG  11           HA       ARG  11   4.049  -5.764  -1.083
   78   1HB   ARG  11          2HB       ARG  11   5.044  -7.763   0.019
   79   2HB   ARG  11          1HB       ARG  11   5.945  -7.166  -1.365
   80   1HG   ARG  11          2HG       ARG  11   7.112  -5.862   0.764
   81   2HG   ARG  11          1HG       ARG  11   6.756  -7.468   1.404
   82   1HD   ARG  11          2HD       ARG  11   8.073  -8.531  -0.200
   83   2HD   ARG  11          1HD       ARG  11   8.072  -7.128  -1.268
   84    HE   ARG  11           HE       ARG  11   9.357  -6.213   0.920
   85   1HH1  ARG  11          1HH1      ARG  11   9.808  -9.059  -1.067
   86   2HH1  ARG  11          2HH1      ARG  11  11.512  -9.144  -0.774
   87   1HH2  ARG  11          1HH2      ARG  11  11.601  -6.326   1.300
   88   2HH2  ARG  11          2HH2      ARG  11  12.532  -7.591   0.570
   89    H    ASP  12           H        ASP  12   4.903  -3.687   1.297
   90    HA   ASP  12           HA       ASP  12   3.819  -5.045   3.583
   91   1HB   ASP  12          2HB       ASP  12   4.899  -2.349   3.013
   92   2HB   ASP  12          1HB       ASP  12   3.688  -2.433   4.287
   93    H    CYS  13           H        CYS  13   2.654  -3.035   1.009
   94    HA   CYS  13           HA       CYS  13   0.030  -2.745   2.239
   95   1HB   CYS  13          2HB       CYS  13   1.503  -1.116   0.573
   96   2HB   CYS  13          1HB       CYS  13   0.343  -1.846  -0.531
   97    H    VAL  14           H        VAL  14   1.210  -5.374   1.306
   98    HA   VAL  14           HA       VAL  14   0.124  -6.308  -1.043
   99    HB   VAL  14           HB       VAL  14   1.644  -7.505   0.667
  100   1HG1  VAL  14          1HG1      VAL  14  -0.392  -7.384   2.354
  101   2HG1  VAL  14          2HG1      VAL  14   0.765  -8.714   2.382
  102   3HG1  VAL  14          3HG1      VAL  14  -0.796  -8.920   1.588
  103   1HG2  VAL  14          1HG2      VAL  14  -0.426  -8.738  -1.093
  104   2HG2  VAL  14          2HG2      VAL  14   0.637  -9.772  -0.138
  105   3HG2  VAL  14          3HG2      VAL  14   1.323  -8.641  -1.305
  106    H    MET  15           H        MET  15  -1.518  -5.575   1.947
  107    HA   MET  15           HA       MET  15  -3.865  -7.057   1.658
  108   1HB   MET  15          2HB       MET  15  -3.285  -4.393   2.935
  109   2HB   MET  15          1HB       MET  15  -4.911  -5.063   2.926
  110   1HG   MET  15          2HG       MET  15  -4.448  -6.384   4.637
  111   2HG   MET  15          1HG       MET  15  -3.030  -7.038   3.822
  112   1HE   MET  15          1HE       MET  15  -4.021  -5.541   7.062
  113   2HE   MET  15          2HE       MET  15  -2.356  -5.624   7.638
  114   3HE   MET  15          3HE       MET  15  -3.066  -6.998   6.790
  115    H    CYS  16           H        CYS  16  -2.727  -4.254  -0.055
  116    HA   CYS  16           HA       CYS  16  -5.308  -3.596  -1.183
  117   1HB   CYS  16          2HB       CYS  16  -3.330  -1.983  -0.661
  118   2HB   CYS  16          1HB       CYS  16  -2.675  -2.545  -2.195
  119    H    GLY  17           H        GLY  17  -2.253  -5.077  -2.296
  120   1HA   GLY  17          2HA       GLY  17  -3.605  -6.746  -4.158
  121   2HA   GLY  17          1HA       GLY  17  -2.879  -5.381  -4.990
  122    H    LEU  18           H        LEU  18  -1.777  -7.256  -6.047
  123    HA   LEU  18           HA       LEU  18   0.389  -8.437  -4.523
  124   1HB   LEU  18          2HB       LEU  18  -0.134  -8.873  -7.450
  125   2HB   LEU  18          1HB       LEU  18   0.718  -9.917  -6.329
  126    HG   LEU  18           HG       LEU  18  -2.051  -9.504  -5.533
  127   1HD1  LEU  18          1HD1      LEU  18  -1.462 -10.551  -8.284
  128   2HD1  LEU  18          2HD1      LEU  18  -2.634  -9.326  -7.798
  129   3HD1  LEU  18          3HD1      LEU  18  -2.906 -11.019  -7.384
  130   1HD2  LEU  18          1HD2      LEU  18  -2.003 -11.951  -5.416
  131   2HD2  LEU  18          2HD2      LEU  18  -0.614 -11.230  -4.602
  132   3HD2  LEU  18          3HD2      LEU  18  -0.423 -11.954  -6.200
  133    H    GLY  19           H        GLY  19   1.529  -6.496  -4.169
  134   1HA   GLY  19          2HA       GLY  19   3.676  -5.574  -4.756
  135   2HA   GLY  19          1HA       GLY  19   3.236  -5.735  -6.451
  136    H    ILE  20           H        ILE  20   2.629  -3.914  -3.497
  137    HA   ILE  20           HA       ILE  20   1.402  -1.773  -5.100
  138    HB   ILE  20           HB       ILE  20   1.231  -1.768  -2.140
  139   1HG1  ILE  20          2HG1      ILE  20   0.757  -4.069  -2.488
  140   2HG1  ILE  20          1HG1      ILE  20  -0.790  -3.256  -2.270
  141   1HG2  ILE  20          1HG2      ILE  20  -0.434  -0.878  -4.445
  142   2HG2  ILE  20          2HG2      ILE  20   0.135   0.038  -3.050
  143   3HG2  ILE  20          3HG2      ILE  20  -1.181  -1.121  -2.867
  144   1HD1  ILE  20          1HD1      ILE  20  -0.183  -3.263  -5.043
  145   2HD1  ILE  20          2HD1      ILE  20  -1.502  -4.066  -4.195
  146   3HD1  ILE  20          3HD1      ILE  20   0.039  -4.893  -4.411
  147    H    SER  21           H        SER  21   2.134   0.312  -4.976
  148    HA   SER  21           HA       SER  21   4.796   0.699  -3.884
  149   1HB   SER  21          2HB       SER  21   3.337   3.033  -4.984
  150   2HB   SER  21          1HB       SER  21   4.979   2.481  -5.305
  151    HG   SER  21           HG       SER  21   4.122   1.864  -7.131
  152    H    CYS  22           H        CYS  22   5.239   1.737  -1.997
  153    HA   CYS  22           HA       CYS  22   2.926   2.635  -0.446
  154   1HB   CYS  22          2HB       CYS  22   4.696   0.909   0.372
  155   2HB   CYS  22          1HB       CYS  22   5.678   2.332   0.704
  156    H    LYS  23           H        LYS  23   2.560   4.662   0.075
  157    HA   LYS  23           HA       LYS  23   4.481   6.725  -0.719
  158   1HB   LYS  23          2HB       LYS  23   2.661   8.263  -0.678
  159   2HB   LYS  23          1HB       LYS  23   2.075   6.816  -1.480
  160   1HG   LYS  23          2HG       LYS  23   1.281   6.222   0.982
  161   2HG   LYS  23          1HG       LYS  23   1.313   7.980   1.139
  162   1HD   LYS  23          2HD       LYS  23  -0.049   6.656  -1.181
  163   2HD   LYS  23          1HD       LYS  23  -0.873   6.851   0.368
  164   1HE   LYS  23          2HE       LYS  23   0.369   9.322  -0.338
  165   2HE   LYS  23          1HE       LYS  23  -0.563   8.743  -1.718
  166   1HZ   LYS  23          1HZ       LYS  23  -2.204   9.808  -0.615
  167   2HZ   LYS  23          2HZ       LYS  23  -1.480   9.629   0.903
  168   3HZ   LYS  23          3HZ       LYS  23  -2.322   8.336   0.211
  169    H    ASN  24           H        ASN  24   3.398   8.682   1.115
  170    HA   ASN  24           HA       ASN  24   5.149   8.501   3.226
  171   1HB   ASN  24          2HB       ASN  24   2.621  10.116   2.914
  172   2HB   ASN  24          1HB       ASN  24   3.706  10.301   4.287
  173   1HD2  ASN  24          1HD2      ASN  24   2.988  12.259   2.297
  174   2HD2  ASN  24          2HD2      ASN  24   4.456  12.742   1.525
  175    H    GLY  25           H        GLY  25   4.533   6.150   3.634
  176   1HA   GLY  25          2HA       GLY  25   3.999   4.694   5.348
  177   2HA   GLY  25          1HA       GLY  25   3.174   6.007   6.169
  178    H    TYR  26           H        TYR  26   2.241   5.463   2.875
  179    HA   TYR  26           HA       TYR  26   0.044   3.719   3.690
  180   1HB   TYR  26          2HB       TYR  26  -0.345   6.492   2.572
  181   2HB   TYR  26          1HB       TYR  26  -1.609   5.265   2.545
  182    HD1  TYR  26           1HD      TYR  26  -1.987   4.089   4.917
  183    HD2  TYR  26           2HD      TYR  26  -0.361   7.978   4.339
  184    HE1  TYR  26           1HE      TYR  26  -2.633   4.691   7.206
  185    HE2  TYR  26           2HE      TYR  26  -1.010   8.594   6.628
  186    HH   TYR  26           HH       TYR  26  -1.443   7.226   8.853
  187    H    CYS  27           H        CYS  27  -1.531   3.606   1.585
  188    HA   CYS  27           HA       CYS  27   0.135   2.349  -0.418
  189   1HB   CYS  27          2HB       CYS  27  -2.504   1.992   0.588
  190   2HB   CYS  27          1HB       CYS  27  -2.626   2.308  -1.136
  191    H    GLN  28           H        GLN  28   0.412   2.964  -2.491
  192    HA   GLN  28           HA       GLN  28  -0.383   5.672  -3.212
  193   1HB   GLN  28          2HB       GLN  28   1.690   3.744  -4.084
  194   2HB   GLN  28          1HB       GLN  28   1.050   4.797  -5.331
  195   1HG   GLN  28          2HG       GLN  28   1.554   6.713  -3.720
  196   2HG   GLN  28          1HG       GLN  28   2.524   5.535  -2.834
  197   1HE2  GLN  28          1HE2      GLN  28   4.432   4.786  -3.720
  198   2HE2  GLN  28          2HE2      GLN  28   5.167   5.513  -5.105
  199    H    GLY  29           H        GLY  29  -0.667   2.356  -4.449
  200   1HA   GLY  29          2HA       GLY  29  -3.250   2.457  -5.362
  201   2HA   GLY  29          1HA       GLY  29  -2.282   3.072  -6.698
  202    H    CYS  30           H        CYS  30  -3.394   0.302  -5.076
  203    HA   CYS  30           HA       CYS  30  -1.379  -1.494  -6.064
  204   1HB   CYS  30          2HB       CYS  30  -2.909  -3.260  -5.129
  205   2HB   CYS  30          1HB       CYS  30  -2.379  -2.050  -3.972
  206    H    THR  31           H        THR  31  -4.063  -3.294  -6.529
  207    HA   THR  31           HA       THR  31  -3.967  -2.873  -9.421
  208    HB   THR  31           HB       THR  31  -4.672  -5.123  -9.682
  209    HG1  THR  31           1HG      THR  31  -5.682  -6.270  -8.163
  210   1HG2  THR  31          1HG2      THR  31  -2.844  -5.041  -7.293
  211   2HG2  THR  31          2HG2      THR  31  -2.371  -5.080  -8.992
  212   3HG2  THR  31          3HG2      THR  31  -3.175  -6.472  -8.269
  Start of MODEL   11
    1   1H    THR   1          1HT       THR   1 -10.192   0.006  -2.450
    2   2H    THR   1          2HT       THR   1  -9.448   0.161  -0.911
    3   3H    THR   1          3HT       THR   1  -8.658  -0.703  -2.166
    4    HA   THR   1           HA       THR   1  -8.314   1.219  -3.413
    5    HB   THR   1           HB       THR   1  -9.085   3.438  -2.381
    6    HG1  THR   1           1HG      THR   1 -11.094   1.942  -1.117
    7   1HG2  THR   1          1HG2      THR   1 -11.382   1.702  -3.219
    8   2HG2  THR   1          2HG2      THR   1 -10.170   2.292  -4.357
    9   3HG2  THR   1          3HG2      THR   1 -11.165   3.436  -3.456
   10    HA   PRO   2           HA       PRO   2  -4.800   1.999  -0.805
   11   1HB   PRO   2          2HB       PRO   2  -3.584   3.989  -2.113
   12   2HB   PRO   2          1HB       PRO   2  -3.769   2.396  -2.852
   13   1HG   PRO   2          2HG       PRO   2  -5.353   4.892  -3.304
   14   2HG   PRO   2          1HG       PRO   2  -4.771   3.706  -4.486
   15   1HD   PRO   2          2HD       PRO   2  -7.337   3.782  -3.468
   16   2HD   PRO   2          1HD       PRO   2  -6.572   2.341  -4.167
   17    H    TYR   3           H        TYR   3  -7.246   3.319   0.128
   18    HA   TYR   3           HA       TYR   3  -6.327   5.931   1.028
   19   1HB   TYR   3          2HB       TYR   3  -8.734   5.353   0.244
   20   2HB   TYR   3          1HB       TYR   3  -8.916   4.639   1.839
   21    HD1  TYR   3           1HD      TYR   3  -8.374   7.793   0.010
   22    HD2  TYR   3           2HD      TYR   3  -9.142   6.008   3.796
   23    HE1  TYR   3           1HE      TYR   3  -8.932  10.002   0.933
   24    HE2  TYR   3           2HE      TYR   3  -9.702   8.211   4.728
   25    HH   TYR   3           HH       TYR   3  -9.133  10.650   4.183
   26    HA   PRO   4           HA       PRO   4  -6.407   3.637   5.157
   27   1HB   PRO   4          2HB       PRO   4  -7.777   1.369   5.499
   28   2HB   PRO   4          1HB       PRO   4  -8.601   2.922   5.342
   29   1HG   PRO   4          2HG       PRO   4  -8.417   0.689   3.420
   30   2HG   PRO   4          1HG       PRO   4  -9.647   1.954   3.560
   31   1HD   PRO   4          2HD       PRO   4  -7.385   1.845   1.779
   32   2HD   PRO   4          1HD       PRO   4  -8.647   3.084   1.877
   33    H    VAL   5           H        VAL   5  -5.033   2.318   2.502
   34    HA   VAL   5           HA       VAL   5  -3.865   0.014   3.896
   35    HB   VAL   5           HB       VAL   5  -2.866   0.418   1.200
   36   1HG1  VAL   5          1HG1      VAL   5  -2.532  -1.685   2.076
   37   2HG1  VAL   5          2HG1      VAL   5  -3.941  -1.943   1.047
   38   3HG1  VAL   5          3HG1      VAL   5  -4.143  -1.762   2.789
   39   1HG2  VAL   5          1HG2      VAL   5  -5.097   1.463   0.885
   40   2HG2  VAL   5          2HG2      VAL   5  -5.842  -0.025   1.464
   41   3HG2  VAL   5          3HG2      VAL   5  -4.905  -0.034  -0.028
   42    H    ASN   6           H        ASN   6  -2.319   0.702   5.217
   43    HA   ASN   6           HA       ASN   6  -0.423   2.741   4.364
   44   1HB   ASN   6          2HB       ASN   6   0.492   2.476   6.700
   45   2HB   ASN   6          1HB       ASN   6  -1.178   3.020   6.611
   46   1HD2  ASN   6          1HD2      ASN   6  -2.817   1.677   7.338
   47   2HD2  ASN   6          2HD2      ASN   6  -2.505   0.242   8.248
   48    H    CYS   7           H        CYS   7   1.923   2.373   4.805
   49    HA   CYS   7           HA       CYS   7   3.029  -0.206   5.008
   50   1HB   CYS   7          2HB       CYS   7   3.885  -0.406   2.626
   51   2HB   CYS   7          1HB       CYS   7   2.182  -0.770   2.859
   52    H    LYS   8           H        LYS   8   5.324  -0.307   4.455
   53    HA   LYS   8           HA       LYS   8   6.621   2.327   4.686
   54   1HB   LYS   8          2HB       LYS   8   7.772  -0.330   5.561
   55   2HB   LYS   8          1HB       LYS   8   8.410   1.270   5.902
   56   1HG   LYS   8          2HG       LYS   8   7.416   0.755   7.900
   57   2HG   LYS   8          1HG       LYS   8   6.110   1.625   7.091
   58   1HD   LYS   8          2HD       LYS   8   4.978  -0.381   6.555
   59   2HD   LYS   8          1HD       LYS   8   6.381  -1.369   6.959
   60   1HE   LYS   8          2HE       LYS   8   6.109  -0.980   9.274
   61   2HE   LYS   8          1HE       LYS   8   4.958   0.327   8.993
   62   1HZ   LYS   8          1HZ       LYS   8   4.216  -2.129   9.630
   63   2HZ   LYS   8          2HZ       LYS   8   4.232  -2.297   7.947
   64   3HZ   LYS   8          3HZ       LYS   8   3.264  -1.112   8.670
   65    H    THR   9           H        THR   9   6.530  -0.745   3.017
   66    HA   THR   9           HA       THR   9   8.317   0.322   0.951
   67    HB   THR   9           HB       THR   9   8.694  -2.426   0.790
   68    HG1  THR   9           1HG      THR   9   7.982  -2.936   2.781
   69   1HG2  THR   9          1HG2      THR   9  10.636  -1.334   0.443
   70   2HG2  THR   9          2HG2      THR   9  10.896  -1.764   2.133
   71   3HG2  THR   9          3HG2      THR   9  10.329  -0.148   1.710
   72    H    ASP  10           H        ASP  10   8.118  -1.392  -1.042
   73    HA   ASP  10           HA       ASP  10   5.572  -0.998  -2.118
   74   1HB   ASP  10          2HB       ASP  10   7.930  -2.658  -2.905
   75   2HB   ASP  10          1HB       ASP  10   6.406  -2.900  -3.750
   76    H    ARG  11           H        ARG  11   6.990  -4.168  -1.235
   77    HA   ARG  11           HA       ARG  11   4.522  -5.557  -1.463
   78   1HB   ARG  11          2HB       ARG  11   5.717  -7.440  -0.424
   79   2HB   ARG  11          1HB       ARG  11   6.614  -6.725  -1.753
   80   1HG   ARG  11          2HG       ARG  11   8.304  -6.947  -0.264
   81   2HG   ARG  11          1HG       ARG  11   7.724  -5.356   0.232
   82   1HD   ARG  11          2HD       ARG  11   7.191  -6.114   2.255
   83   2HD   ARG  11          1HD       ARG  11   6.233  -7.423   1.566
   84    HE   ARG  11           HE       ARG  11   8.844  -8.232   1.316
   85   1HH1  ARG  11          1HH1      ARG  11   6.763  -7.302   3.972
   86   2HH1  ARG  11          2HH1      ARG  11   7.571  -8.311   5.122
   87   1HH2  ARG  11          1HH2      ARG  11   9.908  -9.563   2.834
   88   2HH2  ARG  11          2HH2      ARG  11   9.359  -9.595   4.476
   89    H    ASP  12           H        ASP  12   5.344  -3.375   0.869
   90    HA   ASP  12           HA       ASP  12   4.406  -4.764   3.196
   91   1HB   ASP  12          2HB       ASP  12   5.469  -2.116   2.583
   92   2HB   ASP  12          1HB       ASP  12   4.154  -2.060   3.749
   93    H    CYS  13           H        CYS  13   3.050  -2.766   0.696
   94    HA   CYS  13           HA       CYS  13   0.475  -2.595   2.022
   95   1HB   CYS  13          2HB       CYS  13   1.792  -0.962   0.240
   96   2HB   CYS  13          1HB       CYS  13   0.625  -1.781  -0.791
   97    H    VAL  14           H        VAL  14   1.730  -5.210   1.113
   98    HA   VAL  14           HA       VAL  14   0.551  -6.272  -1.137
   99    HB   VAL  14           HB       VAL  14   2.226  -7.336   0.531
  100   1HG1  VAL  14          1HG1      VAL  14  -0.337  -8.472   1.637
  101   2HG1  VAL  14          2HG1      VAL  14   0.691  -7.299   2.461
  102   3HG1  VAL  14          3HG1      VAL  14   1.306  -8.912   2.104
  103   1HG2  VAL  14          1HG2      VAL  14   0.154  -8.709  -1.116
  104   2HG2  VAL  14          2HG2      VAL  14   1.303  -9.671  -0.186
  105   3HG2  VAL  14          3HG2      VAL  14   1.885  -8.529  -1.400
  106    H    MET  15           H        MET  15  -0.930  -5.525   1.940
  107    HA   MET  15           HA       MET  15  -3.222  -7.111   1.849
  108   1HB   MET  15          2HB       MET  15  -2.601  -4.430   3.037
  109   2HB   MET  15          1HB       MET  15  -4.261  -5.006   3.041
  110   1HG   MET  15          2HG       MET  15  -2.081  -6.758   4.076
  111   2HG   MET  15          1HG       MET  15  -2.715  -5.453   5.076
  112   1HE   MET  15          1HE       MET  15  -5.992  -5.569   5.300
  113   2HE   MET  15          2HE       MET  15  -4.528  -5.346   6.257
  114   3HE   MET  15          3HE       MET  15  -5.651  -6.648   6.653
  115    H    CYS  16           H        CYS  16  -2.314  -4.335  -0.034
  116    HA   CYS  16           HA       CYS  16  -4.978  -3.840  -1.045
  117   1HB   CYS  16          2HB       CYS  16  -3.040  -2.124  -0.705
  118   2HB   CYS  16          1HB       CYS  16  -2.457  -2.723  -2.254
  119    H    GLY  17           H        GLY  17  -1.911  -5.209  -2.283
  120   1HA   GLY  17          2HA       GLY  17  -3.283  -7.041  -3.976
  121   2HA   GLY  17          1HA       GLY  17  -2.687  -5.682  -4.913
  122    H    LEU  18           H        LEU  18  -1.547  -7.542  -5.959
  123    HA   LEU  18           HA       LEU  18   0.777  -8.534  -4.536
  124   1HB   LEU  18          2HB       LEU  18  -0.417  -9.173  -7.222
  125   2HB   LEU  18          1HB       LEU  18   1.155  -9.775  -6.731
  126    HG   LEU  18           HG       LEU  18  -1.035 -10.288  -4.821
  127   1HD1  LEU  18          1HD1      LEU  18  -0.946 -12.090  -7.186
  128   2HD1  LEU  18          2HD1      LEU  18  -1.885 -10.601  -7.290
  129   3HD1  LEU  18          3HD1      LEU  18  -2.252 -11.789  -6.041
  130   1HD2  LEU  18          1HD2      LEU  18   1.419 -11.618  -5.848
  131   2HD2  LEU  18          2HD2      LEU  18   0.148 -12.624  -5.154
  132   3HD2  LEU  18          3HD2      LEU  18   0.888 -11.348  -4.189
  133    H    GLY  19           H        GLY  19   1.857  -6.557  -4.341
  134   1HA   GLY  19          2HA       GLY  19   3.887  -5.531  -5.112
  135   2HA   GLY  19          1HA       GLY  19   3.346  -5.790  -6.766
  136    H    ILE  20           H        ILE  20   2.828  -3.883  -3.850
  137    HA   ILE  20           HA       ILE  20   1.360  -1.893  -5.442
  138    HB   ILE  20           HB       ILE  20   1.430  -1.763  -2.475
  139   1HG1  ILE  20          2HG1      ILE  20   1.032  -4.092  -2.698
  140   2HG1  ILE  20          1HG1      ILE  20  -0.528  -3.334  -2.389
  141   1HG2  ILE  20          1HG2      ILE  20  -0.434  -1.010  -4.668
  142   2HG2  ILE  20          2HG2      ILE  20   0.175  -0.043  -3.327
  143   3HG2  ILE  20          3HG2      ILE  20  -1.068  -1.261  -3.043
  144   1HD1  ILE  20          1HD1      ILE  20   0.212  -5.018  -4.531
  145   2HD1  ILE  20          2HD1      ILE  20  -0.148  -3.427  -5.198
  146   3HD1  ILE  20          3HD1      ILE  20  -1.348  -4.261  -4.216
  147    H    SER  21           H        SER  21   1.852   0.286  -5.299
  148    HA   SER  21           HA       SER  21   4.605   0.884  -4.560
  149   1HB   SER  21          2HB       SER  21   3.587   3.252  -5.476
  150   2HB   SER  21          1HB       SER  21   4.336   2.036  -6.509
  151    HG   SER  21           HG       SER  21   1.570   2.430  -6.012
  152    H    CYS  22           H        CYS  22   5.161   2.061  -2.780
  153    HA   CYS  22           HA       CYS  22   2.950   2.860  -1.025
  154   1HB   CYS  22          2HB       CYS  22   4.849   1.211  -0.335
  155   2HB   CYS  22          1HB       CYS  22   5.802   2.675  -0.118
  156    H    LYS  23           H        LYS  23   2.537   4.897  -0.572
  157    HA   LYS  23           HA       LYS  23   4.348   6.995  -1.522
  158   1HB   LYS  23          2HB       LYS  23   2.485   8.476  -1.424
  159   2HB   LYS  23          1HB       LYS  23   1.886   6.986  -2.133
  160   1HG   LYS  23          2HG       LYS  23   1.156   6.379   0.256
  161   2HG   LYS  23          1HG       LYS  23   1.391   8.092   0.607
  162   1HD   LYS  23          2HD       LYS  23  -0.069   8.374  -1.576
  163   2HD   LYS  23          1HD       LYS  23  -0.621   6.761  -1.130
  164   1HE   LYS  23          2HE       LYS  23  -1.690   7.493   0.741
  165   2HE   LYS  23          1HE       LYS  23  -0.546   8.807   1.016
  166   1HZ   LYS  23          1HZ       LYS  23  -1.578  10.082  -0.707
  167   2HZ   LYS  23          2HZ       LYS  23  -2.789   9.558   0.353
  168   3HZ   LYS  23          3HZ       LYS  23  -2.586   8.794  -1.143
  169    H    ASN  24           H        ASN  24   3.314   8.959   0.334
  170    HA   ASN  24           HA       ASN  24   5.178   8.877   2.354
  171   1HB   ASN  24          2HB       ASN  24   3.522  10.782   1.424
  172   2HB   ASN  24          1HB       ASN  24   2.691  10.384   2.923
  173   1HD2  ASN  24          1HD2      ASN  24   4.346  10.138   4.829
  174   2HD2  ASN  24          2HD2      ASN  24   5.467  11.443   4.971
  175    H    GLY  25           H        GLY  25   4.643   6.520   2.853
  176   1HA   GLY  25          2HA       GLY  25   4.263   5.118   4.656
  177   2HA   GLY  25          1HA       GLY  25   3.427   6.430   5.468
  178    H    TYR  26           H        TYR  26   2.347   5.749   2.250
  179    HA   TYR  26           HA       TYR  26   0.263   3.949   3.233
  180   1HB   TYR  26          2HB       TYR  26  -0.280   6.663   2.038
  181   2HB   TYR  26          1HB       TYR  26  -1.497   5.391   2.099
  182    HD1  TYR  26           1HD      TYR  26  -1.626   4.253   4.559
  183    HD2  TYR  26           2HD      TYR  26  -0.393   8.236   3.718
  184    HE1  TYR  26           1HE      TYR  26  -2.199   4.904   6.854
  185    HE2  TYR  26           2HE      TYR  26  -0.971   8.904   6.012
  186    HH   TYR  26           HH       TYR  26  -2.838   7.036   8.065
  187    H    CYS  27           H        CYS  27  -1.394   3.654   1.228
  188    HA   CYS  27           HA       CYS  27   0.235   2.411  -0.812
  189   1HB   CYS  27          2HB       CYS  27  -2.326   1.953   0.336
  190   2HB   CYS  27          1HB       CYS  27  -2.556   2.208  -1.387
  191    H    GLN  28           H        GLN  28   0.384   2.955  -2.913
  192    HA   GLN  28           HA       GLN  28  -0.588   5.589  -3.698
  193   1HB   GLN  28          2HB       GLN  28   1.575   3.772  -4.548
  194   2HB   GLN  28          1HB       GLN  28   0.804   4.663  -5.848
  195   1HG   GLN  28          2HG       GLN  28   1.211   6.742  -4.425
  196   2HG   GLN  28          1HG       GLN  28   2.299   5.724  -3.481
  197   1HE2  GLN  28          1HE2      GLN  28   4.318   5.399  -4.207
  198   2HE2  GLN  28          2HE2      GLN  28   4.912   5.920  -5.742
  199    H    GLY  29           H        GLY  29  -0.863   2.191  -4.660
  200   1HA   GLY  29          2HA       GLY  29  -3.439   2.139  -5.501
  201   2HA   GLY  29          1HA       GLY  29  -2.576   2.749  -6.907
  202    H    CYS  30           H        CYS  30  -3.509  -0.015  -5.196
  203    HA   CYS  30           HA       CYS  30  -1.434  -1.743  -6.209
  204   1HB   CYS  30          2HB       CYS  30  -2.829  -3.554  -5.145
  205   2HB   CYS  30          1HB       CYS  30  -2.291  -2.286  -4.054
  206    H    THR  31           H        THR  31  -4.043  -3.688  -6.480
  207    HA   THR  31           HA       THR  31  -4.086  -3.407  -9.387
  208    HB   THR  31           HB       THR  31  -4.768  -5.682  -9.499
  209    HG1  THR  31           1HG      THR  31  -5.431  -5.381  -6.772
  210   1HG2  THR  31          1HG2      THR  31  -2.442  -5.585  -8.929
  211   2HG2  THR  31          2HG2      THR  31  -3.189  -6.930  -8.066
  212   3HG2  THR  31          3HG2      THR  31  -2.825  -5.430  -7.215
  Start of MODEL   12
    1   1H    THR   1          1HT       THR   1  -8.961   2.640  -3.819
    2   2H    THR   1          2HT       THR   1  -9.024   3.271  -2.224
    3   3H    THR   1          3HT       THR   1 -10.317   2.316  -2.823
    4    HA   THR   1           HA       THR   1  -9.339   0.714  -1.720
    5    HB   THR   1           HB       THR   1  -7.137   0.209  -3.475
    6    HG1  THR   1           1HG      THR   1  -9.432   0.698  -5.010
    7   1HG2  THR   1          1HG2      THR   1  -8.140  -1.769  -3.797
    8   2HG2  THR   1          2HG2      THR   1  -9.719  -1.047  -4.100
    9   3HG2  THR   1          3HG2      THR   1  -9.146  -1.254  -2.445
   10    HA   PRO   2           HA       PRO   2  -4.842   1.885  -0.634
   11   1HB   PRO   2          2HB       PRO   2  -3.471   3.708  -2.027
   12   2HB   PRO   2          1HB       PRO   2  -3.706   2.073  -2.656
   13   1HG   PRO   2          2HG       PRO   2  -5.135   4.602  -3.366
   14   2HG   PRO   2          1HG       PRO   2  -4.570   3.300  -4.428
   15   1HD   PRO   2          2HD       PRO   2  -7.168   3.590  -3.523
   16   2HD   PRO   2          1HD       PRO   2  -6.462   2.069  -4.100
   17    H    TYR   3           H        TYR   3  -7.178   3.257   0.224
   18    HA   TYR   3           HA       TYR   3  -6.246   5.939   0.910
   19   1HB   TYR   3          2HB       TYR   3  -8.843   4.672   0.587
   20   2HB   TYR   3          1HB       TYR   3  -8.728   5.522   2.124
   21    HD1  TYR   3           1HD      TYR   3  -8.815   5.883  -1.514
   22    HD2  TYR   3           2HD      TYR   3  -8.421   7.948   2.186
   23    HE1  TYR   3           1HE      TYR   3  -9.244   8.012  -2.663
   24    HE2  TYR   3           2HE      TYR   3  -8.852  10.083   1.046
   25    HH   TYR   3           HH       TYR   3  -8.606  10.552  -2.140
   26    HA   PRO   4           HA       PRO   4  -6.529   3.957   5.189
   27   1HB   PRO   4          2HB       PRO   4  -8.014   1.812   5.680
   28   2HB   PRO   4          1HB       PRO   4  -8.774   3.367   5.324
   29   1HG   PRO   4          2HG       PRO   4  -8.486   0.962   3.601
   30   2HG   PRO   4          1HG       PRO   4  -9.788   2.161   3.649
   31   1HD   PRO   4          2HD       PRO   4  -7.596   2.067   1.841
   32   2HD   PRO   4          1HD       PRO   4  -8.805   3.355   1.997
   33    H    VAL   5           H        VAL   5  -5.181   2.366   2.654
   34    HA   VAL   5           HA       VAL   5  -4.187   0.095   4.206
   35    HB   VAL   5           HB       VAL   5  -3.038   0.403   1.536
   36   1HG1  VAL   5          1HG1      VAL   5  -4.304  -1.721   3.195
   37   2HG1  VAL   5          2HG1      VAL   5  -2.713  -1.675   2.437
   38   3HG1  VAL   5          3HG1      VAL   5  -4.148  -1.973   1.456
   39   1HG2  VAL   5          1HG2      VAL   5  -6.025  -0.009   1.744
   40   2HG2  VAL   5          2HG2      VAL   5  -5.055  -0.144   0.278
   41   3HG2  VAL   5          3HG2      VAL   5  -5.237   1.418   1.076
   42    H    ASN   6           H        ASN   6  -2.663   0.711   5.575
   43    HA   ASN   6           HA       ASN   6  -0.645   2.658   4.798
   44   1HB   ASN   6          2HB       ASN   6   0.156   2.358   7.175
   45   2HB   ASN   6          1HB       ASN   6  -1.475   2.990   7.005
   46   1HD2  ASN   6          1HD2      ASN   6  -1.518   2.253   9.289
   47   2HD2  ASN   6          2HD2      ASN   6  -1.991   0.621   9.599
   48    H    CYS   7           H        CYS   7   1.663   2.194   5.355
   49    HA   CYS   7           HA       CYS   7   2.667  -0.419   5.608
   50   1HB   CYS   7          2HB       CYS   7   3.594  -0.674   3.258
   51   2HB   CYS   7          1HB       CYS   7   1.868  -0.959   3.424
   52    H    LYS   8           H        LYS   8   5.005  -0.557   4.790
   53    HA   LYS   8           HA       LYS   8   6.358   2.027   5.192
   54   1HB   LYS   8          2HB       LYS   8   7.551  -0.636   5.954
   55   2HB   LYS   8          1HB       LYS   8   8.067   0.970   6.448
   56   1HG   LYS   8          2HG       LYS   8   5.539  -0.426   7.307
   57   2HG   LYS   8          1HG       LYS   8   6.993  -0.201   8.280
   58   1HD   LYS   8          2HD       LYS   8   6.485   1.941   8.767
   59   2HD   LYS   8          1HD       LYS   8   5.884   2.271   7.142
   60   1HE   LYS   8          2HE       LYS   8   3.750   1.757   7.682
   61   2HE   LYS   8          1HE       LYS   8   4.229   0.456   8.770
   62   1HZ   LYS   8          1HZ       LYS   8   5.016   2.384  10.269
   63   2HZ   LYS   8          2HZ       LYS   8   3.365   2.025  10.198
   64   3HZ   LYS   8          3HZ       LYS   8   3.982   3.337   9.327
   65    H    THR   9           H        THR   9   6.641  -1.227   3.782
   66    HA   THR   9           HA       THR   9   8.339  -0.114   1.649
   67    HB   THR   9           HB       THR   9   9.438  -2.177   1.430
   68    HG1  THR   9           1HG      THR   9   7.448  -3.392   3.050
   69   1HG2  THR   9          1HG2      THR   9  10.327  -1.310   3.407
   70   2HG2  THR   9          2HG2      THR   9   9.960  -2.994   3.777
   71   3HG2  THR   9          3HG2      THR   9   8.885  -1.714   4.339
   72    H    ASP  10           H        ASP  10   8.117  -1.885  -0.331
   73    HA   ASP  10           HA       ASP  10   5.651  -1.311  -1.517
   74   1HB   ASP  10          2HB       ASP  10   7.942  -3.093  -2.189
   75   2HB   ASP  10          1HB       ASP  10   6.432  -3.335  -3.063
   76    H    ARG  11           H        ARG  11   6.809  -4.551  -0.530
   77    HA   ARG  11           HA       ARG  11   4.234  -5.731  -0.816
   78   1HB   ARG  11          2HB       ARG  11   6.874  -6.649   0.237
   79   2HB   ARG  11          1HB       ARG  11   5.440  -7.617   0.554
   80   1HG   ARG  11          2HG       ARG  11   5.309  -8.347  -1.558
   81   2HG   ARG  11          1HG       ARG  11   5.733  -6.774  -2.235
   82   1HD   ARG  11          2HD       ARG  11   8.091  -7.497  -1.120
   83   2HD   ARG  11          1HD       ARG  11   7.441  -9.075  -1.562
   84    HE   ARG  11           HE       ARG  11   7.728  -8.550  -3.776
   85   1HH1  ARG  11          1HH1      ARG  11   8.087  -5.638  -1.869
   86   2HH1  ARG  11          2HH1      ARG  11   8.674  -4.693  -3.193
   87   1HH2  ARG  11          1HH2      ARG  11   8.503  -7.300  -5.523
   88   2HH2  ARG  11          2HH2      ARG  11   8.910  -5.635  -5.271
   89    H    ASP  12           H        ASP  12   5.069  -3.571   1.483
   90    HA   ASP  12           HA       ASP  12   4.073  -4.921   3.821
   91   1HB   ASP  12          2HB       ASP  12   5.183  -2.279   3.193
   92   2HB   ASP  12          1HB       ASP  12   3.881  -2.232   4.376
   93    H    CYS  13           H        CYS  13   2.837  -2.992   1.222
   94    HA   CYS  13           HA       CYS  13   0.227  -2.714   2.476
   95   1HB   CYS  13          2HB       CYS  13   1.646  -1.120   0.738
   96   2HB   CYS  13          1HB       CYS  13   0.498  -1.916  -0.333
   97    H    VAL  14           H        VAL  14   1.460  -5.357   1.606
   98    HA   VAL  14           HA       VAL  14   0.337  -6.394  -0.683
   99    HB   VAL  14           HB       VAL  14   1.920  -7.501   1.041
  100   1HG1  VAL  14          1HG1      VAL  14  -0.712  -8.546   2.077
  101   2HG1  VAL  14          2HG1      VAL  14   0.329  -7.403   2.926
  102   3HG1  VAL  14          3HG1      VAL  14   0.900  -9.039   2.595
  103   1HG2  VAL  14          1HG2      VAL  14   0.958  -9.810   0.316
  104   2HG2  VAL  14          2HG2      VAL  14   1.586  -8.693  -0.897
  105   3HG2  VAL  14          3HG2      VAL  14  -0.154  -8.832  -0.642
  106    H    MET  15           H        MET  15  -1.237  -5.594   2.326
  107    HA   MET  15           HA       MET  15  -3.563  -7.127   2.145
  108   1HB   MET  15          2HB       MET  15  -3.272  -4.310   3.216
  109   2HB   MET  15          1HB       MET  15  -4.614  -5.395   3.547
  110   1HG   MET  15          2HG       MET  15  -3.304  -6.804   4.870
  111   2HG   MET  15          1HG       MET  15  -1.798  -6.144   4.237
  112   1HE   MET  15          1HE       MET  15  -0.979  -5.031   7.498
  113   2HE   MET  15          2HE       MET  15  -1.282  -6.507   6.582
  114   3HE   MET  15          3HE       MET  15  -2.375  -6.037   7.883
  115    H    CYS  16           H        CYS  16  -2.519  -4.357   0.322
  116    HA   CYS  16           HA       CYS  16  -5.139  -3.764  -0.749
  117   1HB   CYS  16          2HB       CYS  16  -3.164  -2.112  -0.342
  118   2HB   CYS  16          1HB       CYS  16  -2.547  -2.719  -1.874
  119    H    GLY  17           H        GLY  17  -2.092  -5.227  -1.909
  120   1HA   GLY  17          2HA       GLY  17  -3.489  -6.975  -3.676
  121   2HA   GLY  17          1HA       GLY  17  -2.773  -5.642  -4.566
  122    H    LEU  18           H        LEU  18  -1.696  -7.556  -5.578
  123    HA   LEU  18           HA       LEU  18   0.499  -8.686  -4.053
  124   1HB   LEU  18          2HB       LEU  18   0.923  -9.916  -6.268
  125   2HB   LEU  18          1HB       LEU  18  -0.481 -10.360  -5.320
  126    HG   LEU  18           HG       LEU  18  -0.973  -8.302  -7.373
  127   1HD1  LEU  18          1HD1      LEU  18   0.704 -10.146  -8.269
  128   2HD1  LEU  18          2HD1      LEU  18  -0.619  -9.525  -9.254
  129   3HD1  LEU  18          3HD1      LEU  18  -0.790 -11.070  -8.422
  130   1HD2  LEU  18          1HD2      LEU  18  -2.856  -9.107  -6.229
  131   2HD2  LEU  18          2HD2      LEU  18  -2.329 -10.784  -6.363
  132   3HD2  LEU  18          3HD2      LEU  18  -2.899  -9.924  -7.792
  133    H    GLY  19           H        GLY  19   1.652  -6.753  -3.788
  134   1HA   GLY  19          2HA       GLY  19   3.776  -5.838  -4.433
  135   2HA   GLY  19          1HA       GLY  19   3.331  -6.088  -6.117
  136    H    ILE  20           H        ILE  20   2.715  -4.122  -3.258
  137    HA   ILE  20           HA       ILE  20   1.482  -2.069  -4.964
  138    HB   ILE  20           HB       ILE  20   1.359  -1.887  -2.006
  139   1HG1  ILE  20          2HG1      ILE  20   0.878  -4.204  -2.210
  140   2HG1  ILE  20          1HG1      ILE  20  -0.663  -3.374  -2.006
  141   1HG2  ILE  20          1HG2      ILE  20  -0.364  -1.148  -4.328
  142   2HG2  ILE  20          2HG2      ILE  20   0.257  -0.134  -3.025
  143   3HG2  ILE  20          3HG2      ILE  20  -1.058  -1.267  -2.712
  144   1HD1  ILE  20          1HD1      ILE  20  -0.119  -3.545  -4.786
  145   2HD1  ILE  20          2HD1      ILE  20  -1.417  -4.296  -3.864
  146   3HD1  ILE  20          3HD1      ILE  20   0.117  -5.136  -4.065
  147    H    SER  21           H        SER  21   2.081   0.098  -4.765
  148    HA   SER  21           HA       SER  21   4.816   0.514  -3.830
  149   1HB   SER  21          2HB       SER  21   2.980   2.389  -5.349
  150   2HB   SER  21          1HB       SER  21   4.691   2.656  -5.019
  151    HG   SER  21           HG       SER  21   3.701   1.477  -7.102
  152    H    CYS  22           H        CYS  22   5.282   1.582  -1.978
  153    HA   CYS  22           HA       CYS  22   3.008   2.566  -0.429
  154   1HB   CYS  22          2HB       CYS  22   4.800   0.879   0.422
  155   2HB   CYS  22          1HB       CYS  22   5.783   2.317   0.673
  156    H    LYS  23           H        LYS  23   2.639   4.613  -0.009
  157    HA   LYS  23           HA       LYS  23   4.551   6.643  -0.904
  158   1HB   LYS  23          2HB       LYS  23   2.723   8.182  -0.891
  159   2HB   LYS  23          1HB       LYS  23   2.144   6.707  -1.650
  160   1HG   LYS  23          2HG       LYS  23   1.271   6.106   0.706
  161   2HG   LYS  23          1HG       LYS  23   1.485   7.824   1.046
  162   1HD   LYS  23          2HD       LYS  23   0.099   7.243  -1.474
  163   2HD   LYS  23          1HD       LYS  23  -0.759   6.712  -0.026
  164   1HE   LYS  23          2HE       LYS  23  -1.540   8.845  -0.127
  165   2HE   LYS  23          1HE       LYS  23  -0.074   9.139   0.806
  166   1HZ   LYS  23          1HZ       LYS  23   0.239  10.685  -0.786
  167   2HZ   LYS  23          2HZ       LYS  23  -0.713   9.885  -1.932
  168   3HZ   LYS  23          3HZ       LYS  23   0.878   9.383  -1.659
  169    H    ASN  24           H        ASN  24   3.468   8.664   0.869
  170    HA   ASN  24           HA       ASN  24   5.238   8.578   2.970
  171   1HB   ASN  24          2HB       ASN  24   2.775  10.192   2.434
  172   2HB   ASN  24          1HB       ASN  24   3.586  10.339   3.988
  173   1HD2  ASN  24          1HD2      ASN  24   3.290  12.417   2.108
  174   2HD2  ASN  24          2HD2      ASN  24   4.866  12.875   1.570
  175    H    GLY  25           H        GLY  25   4.648   6.236   3.472
  176   1HA   GLY  25          2HA       GLY  25   4.138   4.833   5.234
  177   2HA   GLY  25          1HA       GLY  25   3.322   6.170   6.026
  178    H    TYR  26           H        TYR  26   2.348   5.510   2.762
  179    HA   TYR  26           HA       TYR  26   0.161   3.800   3.669
  180   1HB   TYR  26          2HB       TYR  26  -0.244   6.524   2.439
  181   2HB   TYR  26          1HB       TYR  26  -1.507   5.296   2.483
  182    HD1  TYR  26           1HD      TYR  26  -1.852   4.223   4.903
  183    HD2  TYR  26           2HD      TYR  26  -0.228   8.082   4.147
  184    HE1  TYR  26           1HE      TYR  26  -2.461   4.913   7.176
  185    HE2  TYR  26           2HE      TYR  26  -0.841   8.790   6.421
  186    HH   TYR  26           HH       TYR  26  -2.965   7.118   8.365
  187    H    CYS  27           H        CYS  27  -1.432   3.588   1.589
  188    HA   CYS  27           HA       CYS  27   0.227   2.267  -0.380
  189   1HB   CYS  27          2HB       CYS  27  -2.389   1.909   0.676
  190   2HB   CYS  27          1HB       CYS  27  -2.546   2.163  -1.054
  191    H    GLN  28           H        GLN  28   0.444   2.779  -2.492
  192    HA   GLN  28           HA       GLN  28  -0.377   5.454  -3.308
  193   1HB   GLN  28          2HB       GLN  28   1.695   3.508  -4.136
  194   2HB   GLN  28          1HB       GLN  28   1.018   4.494  -5.419
  195   1HG   GLN  28          2HG       GLN  28   1.536   6.494  -3.932
  196   2HG   GLN  28          1HG       GLN  28   2.513   5.378  -2.978
  197   1HE2  GLN  28          1HE2      GLN  28   4.446   4.644  -3.783
  198   2HE2  GLN  28          2HE2      GLN  28   5.166   5.266  -5.225
  199    H    GLY  29           H        GLY  29  -0.668   2.086  -4.402
  200   1HA   GLY  29          2HA       GLY  29  -3.270   2.147  -5.269
  201   2HA   GLY  29          1HA       GLY  29  -2.328   2.700  -6.647
  202    H    CYS  30           H        CYS  30  -3.413   0.004  -4.885
  203    HA   CYS  30           HA       CYS  30  -1.417  -1.832  -5.860
  204   1HB   CYS  30          2HB       CYS  30  -2.882  -3.555  -4.763
  205   2HB   CYS  30          1HB       CYS  30  -2.323  -2.278  -3.694
  206    H    THR  31           H        THR  31  -4.082  -3.678  -6.122
  207    HA   THR  31           HA       THR  31  -4.587  -3.020  -8.936
  208    HB   THR  31           HB       THR  31  -3.053  -4.785  -9.160
  209    HG1  THR  31           1HG      THR  31  -5.296  -5.165 -10.075
  210   1HG2  THR  31          1HG2      THR  31  -2.516  -5.938  -7.337
  211   2HG2  THR  31          2HG2      THR  31  -3.844  -7.006  -7.785
  212   3HG2  THR  31          3HG2      THR  31  -4.109  -5.716  -6.613
  Start of MODEL   13
    1   1H    THR   1          1HT       THR   1  -8.064  -0.443  -2.875
    2   2H    THR   1          2HT       THR   1  -7.682   0.712  -4.086
    3   3H    THR   1          3HT       THR   1  -9.295   0.157  -3.908
    4    HA   THR   1           HA       THR   1  -8.938   2.367  -3.015
    5    HB   THR   1           HB       THR   1  -9.771   1.609  -0.615
    6    HG1  THR   1           1HG      THR   1 -10.380  -0.778  -1.936
    7   1HG2  THR   1          1HG2      THR   1 -11.526   2.403  -1.782
    8   2HG2  THR   1          2HG2      THR   1 -11.938   0.690  -1.864
    9   3HG2  THR   1          3HG2      THR   1 -11.136   1.469  -3.227
   10    HA   PRO   2           HA       PRO   2  -4.878   2.106  -0.826
   11   1HB   PRO   2          2HB       PRO   2  -3.558   3.975  -2.199
   12   2HB   PRO   2          1HB       PRO   2  -3.818   2.368  -2.885
   13   1HG   PRO   2          2HG       PRO   2  -5.258   4.926  -3.448
   14   2HG   PRO   2          1HG       PRO   2  -4.746   3.657  -4.575
   15   1HD   PRO   2          2HD       PRO   2  -7.307   3.936  -3.537
   16   2HD   PRO   2          1HD       PRO   2  -6.644   2.446  -4.235
   17    H    TYR   3           H        TYR   3  -7.199   3.425   0.140
   18    HA   TYR   3           HA       TYR   3  -6.249   6.079   0.918
   19   1HB   TYR   3          2HB       TYR   3  -8.810   4.997   0.372
   20   2HB   TYR   3          1HB       TYR   3  -8.782   5.395   2.084
   21    HD1  TYR   3           1HD      TYR   3  -7.389   7.036  -0.988
   22    HD2  TYR   3           2HD      TYR   3  -9.812   7.417   2.490
   23    HE1  TYR   3           1HE      TYR   3  -7.785   9.402  -1.529
   24    HE2  TYR   3           2HE      TYR   3 -10.215   9.781   1.957
   25    HH   TYR   3           HH       TYR   3 -10.193  11.233  -0.137
   26    HA   PRO   4           HA       PRO   4  -6.522   3.935   5.119
   27   1HB   PRO   4          2HB       PRO   4  -7.978   1.750   5.530
   28   2HB   PRO   4          1HB       PRO   4  -8.754   3.314   5.253
   29   1HG   PRO   4          2HG       PRO   4  -8.468   0.992   3.419
   30   2HG   PRO   4          1HG       PRO   4  -9.778   2.177   3.538
   31   1HD   PRO   4          2HD       PRO   4  -7.614   2.183   1.698
   32   2HD   PRO   4          1HD       PRO   4  -8.824   3.458   1.934
   33    H    VAL   5           H        VAL   5  -5.199   2.422   2.499
   34    HA   VAL   5           HA       VAL   5  -4.126   0.148   4.002
   35    HB   VAL   5           HB       VAL   5  -3.005   0.397   1.344
   36   1HG1  VAL   5          1HG1      VAL   5  -4.879  -1.782   1.871
   37   2HG1  VAL   5          2HG1      VAL   5  -3.636  -1.590   3.107
   38   3HG1  VAL   5          3HG1      VAL   5  -3.174  -1.829   1.423
   39   1HG2  VAL   5          1HG2      VAL   5  -5.025   0.036   0.033
   40   2HG2  VAL   5          2HG2      VAL   5  -5.096   1.602   0.842
   41   3HG2  VAL   5          3HG2      VAL   5  -6.020   0.240   1.475
   42    H    ASN   6           H        ASN   6  -2.579   0.811   5.347
   43    HA   ASN   6           HA       ASN   6  -0.615   2.785   4.495
   44   1HB   ASN   6          2HB       ASN   6   0.251   2.521   6.859
   45   2HB   ASN   6          1HB       ASN   6  -1.386   3.141   6.712
   46   1HD2  ASN   6          1HD2      ASN   6  -1.980   2.505   8.766
   47   2HD2  ASN   6          2HD2      ASN   6  -2.204   0.850   9.204
   48    H    CYS   7           H        CYS   7   1.721   2.370   5.002
   49    HA   CYS   7           HA       CYS   7   2.780  -0.221   5.258
   50   1HB   CYS   7          2HB       CYS   7   3.645  -0.516   2.901
   51   2HB   CYS   7          1HB       CYS   7   1.923  -0.797   3.101
   52    H    LYS   8           H        LYS   8   5.095  -0.358   4.511
   53    HA   LYS   8           HA       LYS   8   6.424   2.256   4.789
   54   1HB   LYS   8          2HB       LYS   8   7.717  -0.345   5.580
   55   2HB   LYS   8          1HB       LYS   8   8.118   1.287   6.097
   56   1HG   LYS   8          2HG       LYS   8   6.318   1.389   7.584
   57   2HG   LYS   8          1HG       LYS   8   5.499   0.022   6.826
   58   1HD   LYS   8          2HD       LYS   8   7.008  -1.531   7.749
   59   2HD   LYS   8          1HD       LYS   8   8.164  -0.270   8.185
   60   1HE   LYS   8          2HE       LYS   8   6.195   0.623   9.653
   61   2HE   LYS   8          1HE       LYS   8   5.589  -1.025   9.502
   62   1HZ   LYS   8          1HZ       LYS   8   6.891  -0.858  11.480
   63   2HZ   LYS   8          2HZ       LYS   8   8.199  -0.188  10.643
   64   3HZ   LYS   8          3HZ       LYS   8   7.757  -1.798  10.371
   65    H    THR   9           H        THR   9   6.572  -0.972   3.334
   66    HA   THR   9           HA       THR   9   8.281   0.110   1.193
   67    HB   THR   9           HB       THR   9   8.740  -2.501   0.897
   68    HG1  THR   9           1HG      THR   9   8.365  -2.282   3.700
   69   1HG2  THR   9          1HG2      THR   9  10.676  -2.282   2.537
   70   2HG2  THR   9          2HG2      THR   9  10.101  -0.634   2.798
   71   3HG2  THR   9          3HG2      THR   9  10.605  -1.148   1.188
   72    H    ASP  10           H        ASP  10   8.030  -1.613  -0.801
   73    HA   ASP  10           HA       ASP  10   5.496  -1.112  -1.887
   74   1HB   ASP  10          2HB       ASP  10   7.814  -2.819  -2.685
   75   2HB   ASP  10          1HB       ASP  10   6.282  -3.038  -3.524
   76    H    ARG  11           H        ARG  11   6.846  -4.275  -0.913
   77    HA   ARG  11           HA       ARG  11   4.375  -5.658  -1.188
   78   1HB   ARG  11          2HB       ARG  11   5.602  -7.464   0.122
   79   2HB   ARG  11          1HB       ARG  11   6.295  -6.978  -1.417
   80   1HG   ARG  11          2HG       ARG  11   8.205  -6.382  -0.456
   81   2HG   ARG  11          1HG       ARG  11   7.373  -5.415   0.761
   82   1HD   ARG  11          2HD       ARG  11   6.913  -7.487   2.034
   83   2HD   ARG  11          1HD       ARG  11   7.851  -8.391   0.846
   84    HE   ARG  11           HE       ARG  11   8.862  -6.758   2.974
   85   1HH1  ARG  11          1HH1      ARG  11   9.584  -8.058  -0.197
   86   2HH1  ARG  11          2HH1      ARG  11  11.298  -7.938   0.008
   87   1HH2  ARG  11          1HH2      ARG  11  11.122  -6.595   3.237
   88   2HH2  ARG  11          2HH2      ARG  11  12.173  -7.106   1.959
   89    H    ASP  12           H        ASP  12   5.102  -3.419   1.120
   90    HA   ASP  12           HA       ASP  12   4.089  -4.793   3.435
   91   1HB   ASP  12          2HB       ASP  12   5.072  -2.061   2.839
   92   2HB   ASP  12          1HB       ASP  12   3.885  -2.191   4.130
   93    H    CYS  13           H        CYS  13   2.860  -2.834   0.853
   94    HA   CYS  13           HA       CYS  13   0.234  -2.619   2.077
   95   1HB   CYS  13          2HB       CYS  13   1.652  -1.021   0.304
   96   2HB   CYS  13          1HB       CYS  13   0.444  -1.797  -0.712
   97    H    VAL  14           H        VAL  14   1.563  -5.226   1.164
   98    HA   VAL  14           HA       VAL  14   0.426  -6.265  -1.121
   99    HB   VAL  14           HB       VAL  14   2.115  -7.357   0.451
  100   1HG1  VAL  14          1HG1      VAL  14   0.767  -7.244   2.492
  101   2HG1  VAL  14          2HG1      VAL  14   1.253  -8.897   2.118
  102   3HG1  VAL  14          3HG1      VAL  14  -0.395  -8.367   1.783
  103   1HG2  VAL  14          1HG2      VAL  14   1.029  -9.706  -0.092
  104   2HG2  VAL  14          2HG2      VAL  14   1.678  -8.665  -1.360
  105   3HG2  VAL  14          3HG2      VAL  14  -0.059  -8.706  -1.057
  106    H    MET  15           H        MET  15  -1.091  -5.603   1.960
  107    HA   MET  15           HA       MET  15  -3.367  -7.217   1.786
  108   1HB   MET  15          2HB       MET  15  -3.025  -4.464   2.994
  109   2HB   MET  15          1HB       MET  15  -4.450  -5.467   3.224
  110   1HG   MET  15          2HG       MET  15  -2.372  -7.141   3.922
  111   2HG   MET  15          1HG       MET  15  -1.861  -5.568   4.532
  112   1HE   MET  15          1HE       MET  15  -4.639  -8.512   6.213
  113   2HE   MET  15          2HE       MET  15  -3.900  -8.496   4.612
  114   3HE   MET  15          3HE       MET  15  -5.511  -7.817   4.846
  115    H    CYS  16           H        CYS  16  -2.468  -4.351   0.037
  116    HA   CYS  16           HA       CYS  16  -5.133  -3.806  -0.942
  117   1HB   CYS  16          2HB       CYS  16  -3.189  -2.115  -0.527
  118   2HB   CYS  16          1HB       CYS  16  -2.608  -2.643  -2.101
  119    H    GLY  17           H        GLY  17  -2.075  -5.130  -2.241
  120   1HA   GLY  17          2HA       GLY  17  -3.485  -6.838  -4.049
  121   2HA   GLY  17          1HA       GLY  17  -2.787  -5.465  -4.891
  122    H    LEU  18           H        LEU  18  -1.702  -7.335  -5.990
  123    HA   LEU  18           HA       LEU  18   0.512  -8.506  -4.527
  124   1HB   LEU  18          2HB       LEU  18  -0.087  -8.950  -7.438
  125   2HB   LEU  18          1HB       LEU  18   0.804  -9.986  -6.340
  126    HG   LEU  18           HG       LEU  18  -2.158  -9.468  -6.087
  127   1HD1  LEU  18          1HD1      LEU  18  -2.651 -11.211  -7.445
  128   2HD1  LEU  18          2HD1      LEU  18  -1.148 -12.062  -7.087
  129   3HD1  LEU  18          3HD1      LEU  18  -1.147 -10.709  -8.217
  130   1HD2  LEU  18          1HD2      LEU  18  -0.163 -11.100  -4.632
  131   2HD2  LEU  18          2HD2      LEU  18  -1.743 -11.830  -4.915
  132   3HD2  LEU  18          3HD2      LEU  18  -1.621 -10.299  -4.048
  133    H    GLY  19           H        GLY  19   1.655  -6.568  -4.200
  134   1HA   GLY  19          2HA       GLY  19   3.750  -5.586  -4.814
  135   2HA   GLY  19          1HA       GLY  19   3.330  -5.826  -6.505
  136    H    ILE  20           H        ILE  20   2.643  -3.902  -3.632
  137    HA   ILE  20           HA       ILE  20   1.370  -1.861  -5.323
  138    HB   ILE  20           HB       ILE  20   1.262  -1.681  -2.367
  139   1HG1  ILE  20          2HG1      ILE  20   0.852  -4.014  -2.562
  140   2HG1  ILE  20          1HG1      ILE  20  -0.709  -3.226  -2.337
  141   1HG2  ILE  20          1HG2      ILE  20   0.122   0.037  -3.438
  142   2HG2  ILE  20          2HG2      ILE  20  -1.156  -1.102  -3.015
  143   3HG2  ILE  20          3HG2      ILE  20  -0.541  -1.041  -4.666
  144   1HD1  ILE  20          1HD1      ILE  20   0.067  -4.979  -4.392
  145   2HD1  ILE  20          2HD1      ILE  20  -0.177  -3.397  -5.128
  146   3HD1  ILE  20          3HD1      ILE  20  -1.470  -4.143  -4.194
  147    H    SER  21           H        SER  21   1.998   0.284  -5.230
  148    HA   SER  21           HA       SER  21   4.706   0.758  -4.286
  149   1HB   SER  21          2HB       SER  21   2.841   2.707  -5.663
  150   2HB   SER  21          1HB       SER  21   4.588   2.854  -5.480
  151    HG   SER  21           HG       SER  21   4.752   1.785  -7.269
  152    H    CYS  22           H        CYS  22   5.191   1.784  -2.421
  153    HA   CYS  22           HA       CYS  22   2.943   2.708  -0.803
  154   1HB   CYS  22          2HB       CYS  22   4.803   1.067  -0.015
  155   2HB   CYS  22          1HB       CYS  22   5.756   2.529   0.214
  156    H    LYS  23           H        LYS  23   2.537   4.741  -0.345
  157    HA   LYS  23           HA       LYS  23   4.360   6.832  -1.293
  158   1HB   LYS  23          2HB       LYS  23   2.500   8.307  -1.269
  159   2HB   LYS  23          1HB       LYS  23   1.903   6.799  -1.940
  160   1HG   LYS  23          2HG       LYS  23   1.274   6.354   0.599
  161   2HG   LYS  23          1HG       LYS  23   1.263   8.117   0.635
  162   1HD   LYS  23          2HD       LYS  23  -0.109   7.022  -1.689
  163   2HD   LYS  23          1HD       LYS  23  -0.815   6.492  -0.162
  164   1HE   LYS  23          2HE       LYS  23  -1.057   8.792   0.562
  165   2HE   LYS  23          1HE       LYS  23  -0.258   9.362  -0.904
  166   1HZ   LYS  23          1HZ       LYS  23  -2.583   7.667  -1.310
  167   2HZ   LYS  23          2HZ       LYS  23  -2.107   9.070  -2.127
  168   3HZ   LYS  23          3HZ       LYS  23  -2.898   9.188  -0.637
  169    H    ASN  24           H        ASN  24   3.319   8.831   0.508
  170    HA   ASN  24           HA       ASN  24   5.143   8.738   2.567
  171   1HB   ASN  24          2HB       ASN  24   3.385  10.617   1.579
  172   2HB   ASN  24          1HB       ASN  24   2.765  10.327   3.201
  173   1HD2  ASN  24          1HD2      ASN  24   5.082   9.870   4.615
  174   2HD2  ASN  24          2HD2      ASN  24   6.049  11.302   4.614
  175    H    GLY  25           H        GLY  25   4.565   6.414   3.094
  176   1HA   GLY  25          2HA       GLY  25   4.088   5.028   4.882
  177   2HA   GLY  25          1HA       GLY  25   3.268   6.369   5.666
  178    H    TYR  26           H        TYR  26   2.258   5.673   2.422
  179    HA   TYR  26           HA       TYR  26   0.096   3.948   3.367
  180   1HB   TYR  26          2HB       TYR  26  -0.343   6.668   2.142
  181   2HB   TYR  26          1HB       TYR  26  -1.595   5.429   2.185
  182    HD1  TYR  26           1HD      TYR  26  -1.819   4.311   4.640
  183    HD2  TYR  26           2HD      TYR  26  -0.441   8.251   3.817
  184    HE1  TYR  26           1HE      TYR  26  -2.426   4.988   6.917
  185    HE2  TYR  26           2HE      TYR  26  -1.054   8.946   6.096
  186    HH   TYR  26           HH       TYR  26  -3.045   7.187   8.088
  187    H    CYS  27           H        CYS  27  -1.525   3.703   1.316
  188    HA   CYS  27           HA       CYS  27   0.116   2.403  -0.685
  189   1HB   CYS  27          2HB       CYS  27  -2.463   1.983   0.432
  190   2HB   CYS  27          1HB       CYS  27  -2.672   2.243  -1.293
  191    H    GLN  28           H        GLN  28   0.231   2.882  -2.825
  192    HA   GLN  28           HA       GLN  28  -0.627   5.551  -3.620
  193   1HB   GLN  28          2HB       GLN  28   1.409   3.603  -4.522
  194   2HB   GLN  28          1HB       GLN  28   0.674   4.571  -5.785
  195   1HG   GLN  28          2HG       GLN  28   1.278   6.605  -4.470
  196   2HG   GLN  28          1HG       GLN  28   2.174   5.553  -3.374
  197   1HE2  GLN  28          1HE2      GLN  28   4.171   4.860  -3.941
  198   2HE2  GLN  28          2HE2      GLN  28   4.958   5.274  -5.422
  199    H    GLY  29           H        GLY  29  -0.868   2.203  -4.809
  200   1HA   GLY  29          2HA       GLY  29  -3.542   2.247  -5.522
  201   2HA   GLY  29          1HA       GLY  29  -2.653   2.793  -6.938
  202    H    CYS  30           H        CYS  30  -3.630   0.106  -5.080
  203    HA   CYS  30           HA       CYS  30  -1.691  -1.732  -6.155
  204   1HB   CYS  30          2HB       CYS  30  -3.061  -3.447  -4.949
  205   2HB   CYS  30          1HB       CYS  30  -2.478  -2.140  -3.928
  206    H    THR  31           H        THR  31  -4.353  -3.597  -6.236
  207    HA   THR  31           HA       THR  31  -4.568  -3.354  -9.139
  208    HB   THR  31           HB       THR  31  -5.312  -5.609  -9.170
  209    HG1  THR  31           1HG      THR  31  -6.777  -5.761  -7.571
  210   1HG2  THR  31          1HG2      THR  31  -2.870  -5.061  -8.157
  211   2HG2  THR  31          2HG2      THR  31  -3.458  -6.682  -8.523
  212   3HG2  THR  31          3HG2      THR  31  -3.546  -6.064  -6.874
  Start of MODEL   14
    1   1H    THR   1          1HT       THR   1 -10.428   0.327  -2.513
    2   2H    THR   1          2HT       THR   1 -10.355   1.255  -1.071
    3   3H    THR   1          3HT       THR   1  -9.239  -0.023  -1.328
    4    HA   THR   1           HA       THR   1  -8.434   1.187  -3.297
    5    HB   THR   1           HB       THR   1  -8.988   3.588  -3.399
    6    HG1  THR   1           1HG      THR   1 -10.241   4.525  -1.958
    7   1HG2  THR   1          1HG2      THR   1 -10.380   2.042  -4.716
    8   2HG2  THR   1          2HG2      THR   1 -11.252   3.486  -4.200
    9   3HG2  THR   1          3HG2      THR   1 -11.513   1.954  -3.369
   10    HA   PRO   2           HA       PRO   2  -5.130   2.368  -0.592
   11   1HB   PRO   2          2HB       PRO   2  -4.424   4.694  -2.253
   12   2HB   PRO   2          1HB       PRO   2  -3.530   3.198  -1.993
   13   1HG   PRO   2          2HG       PRO   2  -4.697   3.756  -4.344
   14   2HG   PRO   2          1HG       PRO   2  -4.598   2.100  -3.717
   15   1HD   PRO   2          2HD       PRO   2  -6.911   4.008  -3.674
   16   2HD   PRO   2          1HD       PRO   2  -6.888   2.273  -4.060
   17    H    TYR   3           H        TYR   3  -7.198   3.170   0.669
   18    HA   TYR   3           HA       TYR   3  -6.711   5.964   1.447
   19   1HB   TYR   3          2HB       TYR   3  -9.191   4.524   0.911
   20   2HB   TYR   3          1HB       TYR   3  -9.186   5.249   2.515
   21    HD1  TYR   3           1HD      TYR   3  -9.859   7.452   2.741
   22    HD2  TYR   3           2HD      TYR   3  -8.422   6.126  -1.039
   23    HE1  TYR   3           1HE      TYR   3 -10.436   9.632   1.763
   24    HE2  TYR   3           2HE      TYR   3  -8.995   8.304  -2.026
   25    HH   TYR   3           HH       TYR   3  -9.283  10.733  -1.097
   26    HA   PRO   4           HA       PRO   4  -6.904   3.515   5.475
   27   1HB   PRO   4          2HB       PRO   4  -8.295   1.257   5.714
   28   2HB   PRO   4          1HB       PRO   4  -9.116   2.812   5.546
   29   1HG   PRO   4          2HG       PRO   4  -8.795   0.624   3.575
   30   2HG   PRO   4          1HG       PRO   4 -10.087   1.826   3.722
   31   1HD   PRO   4          2HD       PRO   4  -7.816   1.885   1.978
   32   2HD   PRO   4          1HD       PRO   4  -9.084   3.112   2.156
   33    H    VAL   5           H        VAL   5  -5.542   2.186   2.752
   34    HA   VAL   5           HA       VAL   5  -4.391  -0.131   4.131
   35    HB   VAL   5           HB       VAL   5  -3.199   0.150   1.568
   36   1HG1  VAL   5          1HG1      VAL   5  -3.434  -1.989   2.400
   37   2HG1  VAL   5          2HG1      VAL   5  -4.696  -1.930   1.168
   38   3HG1  VAL   5          3HG1      VAL   5  -5.115  -1.736   2.871
   39   1HG2  VAL   5          1HG2      VAL   5  -6.209   0.359   1.430
   40   2HG2  VAL   5          2HG2      VAL   5  -5.109   0.135   0.069
   41   3HG2  VAL   5          3HG2      VAL   5  -5.080   1.639   0.990
   42    H    ASN   6           H        ASN   6  -2.933   0.604   5.562
   43    HA   ASN   6           HA       ASN   6  -0.989   2.625   4.786
   44   1HB   ASN   6          2HB       ASN   6  -0.207   2.388   7.174
   45   2HB   ASN   6          1HB       ASN   6  -1.866   2.936   6.979
   46   1HD2  ASN   6          1HD2      ASN   6  -3.555   1.597   7.610
   47   2HD2  ASN   6          2HD2      ASN   6  -3.302   0.181   8.566
   48    H    CYS   7           H        CYS   7   1.324   2.281   5.358
   49    HA   CYS   7           HA       CYS   7   2.456  -0.285   5.642
   50   1HB   CYS   7          2HB       CYS   7   3.442  -0.477   3.309
   51   2HB   CYS   7          1HB       CYS   7   1.732  -0.856   3.441
   52    H    LYS   8           H        LYS   8   4.823  -0.295   4.867
   53    HA   LYS   8           HA       LYS   8   6.028   2.360   5.296
   54   1HB   LYS   8          2HB       LYS   8   7.397  -0.198   6.098
   55   2HB   LYS   8          1HB       LYS   8   7.700   1.440   6.663
   56   1HG   LYS   8          2HG       LYS   8   5.472   1.383   7.790
   57   2HG   LYS   8          1HG       LYS   8   5.361  -0.323   7.355
   58   1HD   LYS   8          2HD       LYS   8   7.800   0.626   8.778
   59   2HD   LYS   8          1HD       LYS   8   6.305   0.448   9.698
   60   1HE   LYS   8          2HE       LYS   8   6.868  -1.700   9.922
   61   2HE   LYS   8          1HE       LYS   8   6.409  -1.877   8.230
   62   1HZ   LYS   8          1HZ       LYS   8   8.536  -2.760   8.331
   63   2HZ   LYS   8          2HZ       LYS   8   9.109  -1.566   9.382
   64   3HZ   LYS   8          3HZ       LYS   8   8.814  -1.192   7.759
   65    H    THR   9           H        THR   9   6.484  -0.875   3.891
   66    HA   THR   9           HA       THR   9   8.213   0.301   1.817
   67    HB   THR   9           HB       THR   9   8.782  -2.276   1.509
   68    HG1  THR   9           1HG      THR   9   8.504  -3.475   3.261
   69   1HG2  THR   9          1HG2      THR   9  10.596  -0.937   1.988
   70   2HG2  THR   9          2HG2      THR   9  10.539  -2.024   3.376
   71   3HG2  THR   9          3HG2      THR   9   9.914  -0.381   3.515
   72    H    ASP  10           H        ASP  10   8.101  -1.409  -0.213
   73    HA   ASP  10           HA       ASP  10   5.622  -0.923  -1.419
   74   1HB   ASP  10          2HB       ASP  10   7.886  -2.774  -2.147
   75   2HB   ASP  10          1HB       ASP  10   6.440  -2.636  -3.142
   76    H    ARG  11           H        ARG  11   6.942  -4.124  -0.498
   77    HA   ARG  11           HA       ARG  11   4.443  -5.437  -0.877
   78   1HB   ARG  11          2HB       ARG  11   6.938  -6.371   0.544
   79   2HB   ARG  11          1HB       ARG  11   5.570  -7.394   0.129
   80   1HG   ARG  11          2HG       ARG  11   6.422  -7.756  -1.878
   81   2HG   ARG  11          1HG       ARG  11   6.403  -6.025  -2.220
   82   1HD   ARG  11          2HD       ARG  11   8.637  -6.425  -2.441
   83   2HD   ARG  11          1HD       ARG  11   8.576  -6.066  -0.717
   84    HE   ARG  11           HE       ARG  11   9.166  -8.228  -0.280
   85   1HH1  ARG  11          1HH1      ARG  11   8.058  -8.047  -3.599
   86   2HH1  ARG  11          2HH1      ARG  11   8.523  -9.671  -3.972
   87   1HH2  ARG  11          1HH2      ARG  11   9.776 -10.369  -0.778
   88   2HH2  ARG  11          2HH2      ARG  11   9.499 -10.991  -2.371
   89    H    ASP  12           H        ASP  12   5.074  -3.280   1.482
   90    HA   ASP  12           HA       ASP  12   4.104  -4.752   3.762
   91   1HB   ASP  12          2HB       ASP  12   5.071  -2.019   3.243
   92   2HB   ASP  12          1HB       ASP  12   3.774  -2.115   4.426
   93    H    CYS  13           H        CYS  13   2.838  -2.845   1.172
   94    HA   CYS  13           HA       CYS  13   0.182  -2.737   2.360
   95   1HB   CYS  13          2HB       CYS  13   1.559  -1.033   0.668
   96   2HB   CYS  13          1HB       CYS  13   0.441  -1.854  -0.415
   97    H    VAL  14           H        VAL  14   1.621  -5.272   1.452
   98    HA   VAL  14           HA       VAL  14   0.614  -6.320  -0.888
   99    HB   VAL  14           HB       VAL  14   2.260  -7.370   0.783
  100   1HG1  VAL  14          1HG1      VAL  14   1.361  -8.992   2.335
  101   2HG1  VAL  14          2HG1      VAL  14  -0.285  -8.562   1.872
  102   3HG1  VAL  14          3HG1      VAL  14   0.732  -7.388   2.707
  103   1HG2  VAL  14          1HG2      VAL  14   1.401  -9.733   0.062
  104   2HG2  VAL  14          2HG2      VAL  14   1.980  -8.582  -1.143
  105   3HG2  VAL  14          3HG2      VAL  14   0.248  -8.797  -0.889
  106    H    MET  15           H        MET  15  -1.053  -5.777   2.143
  107    HA   MET  15           HA       MET  15  -3.266  -7.453   1.847
  108   1HB   MET  15          2HB       MET  15  -2.673  -4.962   3.330
  109   2HB   MET  15          1HB       MET  15  -4.377  -5.280   3.039
  110   1HG   MET  15          2HG       MET  15  -4.013  -7.561   4.027
  111   2HG   MET  15          1HG       MET  15  -2.406  -7.012   4.502
  112   1HE   MET  15          1HE       MET  15  -3.036  -4.369   7.187
  113   2HE   MET  15          2HE       MET  15  -2.328  -4.406   5.573
  114   3HE   MET  15          3HE       MET  15  -1.947  -5.680   6.732
  115    H    CYS  16           H        CYS  16  -2.400  -4.530   0.183
  116    HA   CYS  16           HA       CYS  16  -5.038  -4.072  -0.910
  117   1HB   CYS  16          2HB       CYS  16  -3.161  -2.322  -0.384
  118   2HB   CYS  16          1HB       CYS  16  -2.523  -2.791  -1.955
  119    H    GLY  17           H        GLY  17  -1.871  -5.238  -2.099
  120   1HA   GLY  17          2HA       GLY  17  -3.117  -6.993  -3.977
  121   2HA   GLY  17          1HA       GLY  17  -2.473  -5.572  -4.782
  122    H    LEU  18           H        LEU  18  -1.254  -7.390  -5.855
  123    HA   LEU  18           HA       LEU  18   0.983  -8.427  -4.325
  124   1HB   LEU  18          2HB       LEU  18  -0.069  -8.968  -7.084
  125   2HB   LEU  18          1HB       LEU  18   1.520  -9.519  -6.592
  126    HG   LEU  18           HG       LEU  18   0.099 -10.527  -4.559
  127   1HD1  LEU  18          1HD1      LEU  18  -1.989  -9.543  -5.675
  128   2HD1  LEU  18          2HD1      LEU  18  -2.052 -11.218  -5.129
  129   3HD1  LEU  18          3HD1      LEU  18  -1.819 -10.856  -6.840
  130   1HD2  LEU  18          1HD2      LEU  18   0.797 -11.595  -7.252
  131   2HD2  LEU  18          2HD2      LEU  18  -0.149 -12.598  -6.153
  132   3HD2  LEU  18          3HD2      LEU  18   1.443 -12.018  -5.667
  133    H    GLY  19           H        GLY  19   1.996  -6.428  -3.967
  134   1HA   GLY  19          2HA       GLY  19   4.061  -5.346  -4.525
  135   2HA   GLY  19          1HA       GLY  19   3.677  -5.571  -6.227
  136    H    ILE  20           H        ILE  20   2.851  -3.746  -3.325
  137    HA   ILE  20           HA       ILE  20   1.532  -1.722  -5.002
  138    HB   ILE  20           HB       ILE  20   1.308  -1.642  -2.046
  139   1HG1  ILE  20          2HG1      ILE  20   0.997  -3.983  -2.338
  140   2HG1  ILE  20          1HG1      ILE  20  -0.598  -3.262  -2.135
  141   1HG2  ILE  20          1HG2      ILE  20  -1.125  -1.168  -2.810
  142   2HG2  ILE  20          2HG2      ILE  20  -0.393  -0.955  -4.401
  143   3HG2  ILE  20          3HG2      ILE  20   0.117   0.061  -3.052
  144   1HD1  ILE  20          1HD1      ILE  20   0.327  -4.901  -4.236
  145   2HD1  ILE  20          2HD1      ILE  20   0.002  -3.306  -4.910
  146   3HD1  ILE  20          3HD1      ILE  20  -1.261  -4.167  -4.037
  147    H    SER  21           H        SER  21   2.075   0.440  -4.834
  148    HA   SER  21           HA       SER  21   4.724   0.987  -3.768
  149   1HB   SER  21          2HB       SER  21   2.812   2.738  -5.340
  150   2HB   SER  21          1HB       SER  21   4.443   3.205  -4.856
  151    HG   SER  21           HG       SER  21   4.328   2.370  -7.010
  152    H    CYS  22           H        CYS  22   5.092   2.005  -1.875
  153    HA   CYS  22           HA       CYS  22   2.742   2.835  -0.351
  154   1HB   CYS  22          2HB       CYS  22   4.599   1.214   0.496
  155   2HB   CYS  22          1HB       CYS  22   5.502   2.692   0.809
  156    H    LYS  23           H        LYS  23   2.245   4.845   0.051
  157    HA   LYS  23           HA       LYS  23   4.064   7.007  -0.701
  158   1HB   LYS  23          2HB       LYS  23   1.356   6.631  -1.127
  159   2HB   LYS  23          1HB       LYS  23   1.378   7.728   0.247
  160   1HG   LYS  23          2HG       LYS  23   1.242   8.875  -1.936
  161   2HG   LYS  23          1HG       LYS  23   2.658   9.340  -0.991
  162   1HD   LYS  23          2HD       LYS  23   4.084   8.526  -2.518
  163   2HD   LYS  23          1HD       LYS  23   3.132   7.058  -2.745
  164   1HE   LYS  23          2HE       LYS  23   3.124   8.194  -4.825
  165   2HE   LYS  23          1HE       LYS  23   1.531   8.444  -4.112
  166   1HZ   LYS  23          1HZ       LYS  23   2.202  10.635  -3.407
  167   2HZ   LYS  23          2HZ       LYS  23   2.457  10.478  -5.072
  168   3HZ   LYS  23          3HZ       LYS  23   3.767  10.397  -4.005
  169    H    ASN  24           H        ASN  24   2.756   8.895   1.073
  170    HA   ASN  24           HA       ASN  24   4.431   8.888   3.251
  171   1HB   ASN  24          2HB       ASN  24   1.892  10.333   2.612
  172   2HB   ASN  24          1HB       ASN  24   2.574  10.482   4.228
  173   1HD2  ASN  24          1HD2      ASN  24   3.916  12.117   4.507
  174   2HD2  ASN  24          2HD2      ASN  24   4.842  12.893   3.272
  175    H    GLY  25           H        GLY  25   4.010   6.498   3.670
  176   1HA   GLY  25          2HA       GLY  25   3.523   4.993   5.349
  177   2HA   GLY  25          1HA       GLY  25   2.623   6.257   6.175
  178    H    TYR  26           H        TYR  26   1.782   5.648   2.860
  179    HA   TYR  26           HA       TYR  26  -0.378   3.844   3.656
  180   1HB   TYR  26          2HB       TYR  26  -0.814   6.570   2.445
  181   2HB   TYR  26          1HB       TYR  26  -2.039   5.304   2.413
  182    HD1  TYR  26           1HD      TYR  26  -1.198   8.169   4.064
  183    HD2  TYR  26           2HD      TYR  26  -2.190   4.120   4.912
  184    HE1  TYR  26           1HE      TYR  26  -1.932   8.827   6.317
  185    HE2  TYR  26           2HE      TYR  26  -2.921   4.762   7.165
  186    HH   TYR  26           HH       TYR  26  -3.752   6.836   8.320
  187    H    CYS  27           H        CYS  27  -1.853   3.480   1.588
  188    HA   CYS  27           HA       CYS  27  -0.090   2.302  -0.375
  189   1HB   CYS  27          2HB       CYS  27  -2.682   1.758   0.652
  190   2HB   CYS  27          1HB       CYS  27  -2.850   2.017  -1.077
  191    H    GLN  28           H        GLN  28   0.017   2.755  -2.535
  192    HA   GLN  28           HA       GLN  28  -0.870   5.412  -3.343
  193   1HB   GLN  28          2HB       GLN  28   1.215   3.501  -4.206
  194   2HB   GLN  28          1HB       GLN  28   0.482   4.451  -5.486
  195   1HG   GLN  28          2HG       GLN  28   1.023   6.500  -4.188
  196   2HG   GLN  28          1HG       GLN  28   1.900   5.482  -3.047
  197   1HE2  GLN  28          1HE2      GLN  28   3.997   5.237  -3.409
  198   2HE2  GLN  28          2HE2      GLN  28   4.799   5.482  -4.920
  199    H    GLY  29           H        GLY  29  -0.915   2.121  -4.693
  200   1HA   GLY  29          2HA       GLY  29  -3.616   2.070  -5.415
  201   2HA   GLY  29          1HA       GLY  29  -2.701   2.653  -6.803
  202    H    CYS  30           H        CYS  30  -3.578  -0.076  -4.924
  203    HA   CYS  30           HA       CYS  30  -1.555  -1.831  -5.960
  204   1HB   CYS  30          2HB       CYS  30  -2.910  -3.600  -4.796
  205   2HB   CYS  30          1HB       CYS  30  -2.381  -2.279  -3.763
  206    H    THR  31           H        THR  31  -4.168  -3.782  -6.106
  207    HA   THR  31           HA       THR  31  -4.337  -3.520  -9.021
  208    HB   THR  31           HB       THR  31  -4.833  -5.833  -9.129
  209    HG1  THR  31           1HG      THR  31  -5.455  -5.593  -6.392
  210   1HG2  THR  31          1HG2      THR  31  -3.125  -6.435  -6.909
  211   2HG2  THR  31          2HG2      THR  31  -2.514  -5.031  -7.785
  212   3HG2  THR  31          3HG2      THR  31  -2.801  -6.546  -8.640
  Start of MODEL   15
    1   1H    THR   1          1HT       THR   1  -9.344  -0.447  -1.121
    2   2H    THR   1          2HT       THR   1  -8.501  -0.799  -2.574
    3   3H    THR   1          3HT       THR   1 -10.156  -0.350  -2.628
    4    HA   THR   1           HA       THR   1  -8.583   1.400  -3.280
    5    HB   THR   1           HB       THR   1 -10.323   1.879  -0.843
    6    HG1  THR   1           1HG      THR   1 -11.003   2.029  -3.595
    7   1HG2  THR   1          1HG2      THR   1 -10.560   4.118  -1.465
    8   2HG2  THR   1          2HG2      THR   1  -9.802   3.857  -3.036
    9   3HG2  THR   1          3HG2      THR   1  -8.828   3.802  -1.567
   10    HA   PRO   2           HA       PRO   2  -5.094   1.880  -0.533
   11   1HB   PRO   2          2HB       PRO   2  -3.870   3.917  -1.766
   12   2HB   PRO   2          1HB       PRO   2  -3.992   2.329  -2.532
   13   1HG   PRO   2          2HG       PRO   2  -5.624   4.792  -3.005
   14   2HG   PRO   2          1HG       PRO   2  -4.956   3.649  -4.185
   15   1HD   PRO   2          2HD       PRO   2  -7.561   3.618  -3.297
   16   2HD   PRO   2          1HD       PRO   2  -6.710   2.204  -3.951
   17    H    TYR   3           H        TYR   3  -7.472   2.969   0.510
   18    HA   TYR   3           HA       TYR   3  -6.732   5.643   1.431
   19   1HB   TYR   3          2HB       TYR   3  -9.200   4.433   0.801
   20   2HB   TYR   3          1HB       TYR   3  -9.204   4.656   2.546
   21    HD1  TYR   3           1HD      TYR   3  -8.095   7.108   3.182
   22    HD2  TYR   3           2HD      TYR   3 -10.234   6.129  -0.364
   23    HE1  TYR   3           1HE      TYR   3  -8.676   9.479   2.884
   24    HE2  TYR   3           2HE      TYR   3 -10.820   8.495  -0.671
   25    HH   TYR   3           HH       TYR   3 -10.817  10.692   1.526
   26    HA   PRO   4           HA       PRO   4  -6.808   3.247   5.502
   27   1HB   PRO   4          2HB       PRO   4  -8.090   0.934   5.787
   28   2HB   PRO   4          1HB       PRO   4  -8.988   2.446   5.609
   29   1HG   PRO   4          2HG       PRO   4  -8.545   0.265   3.640
   30   2HG   PRO   4          1HG       PRO   4  -9.933   1.348   3.827
   31   1HD   PRO   4          2HD       PRO   4  -7.774   1.608   1.994
   32   2HD   PRO   4          1HD       PRO   4  -9.080   2.771   2.288
   33    H    VAL   5           H        VAL   5  -5.402   2.015   2.793
   34    HA   VAL   5           HA       VAL   5  -4.134  -0.256   4.148
   35    HB   VAL   5           HB       VAL   5  -3.098   0.221   1.491
   36   1HG1  VAL   5          1HG1      VAL   5  -2.804  -1.896   2.407
   37   2HG1  VAL   5          2HG1      VAL   5  -4.081  -2.131   1.215
   38   3HG1  VAL   5          3HG1      VAL   5  -4.485  -2.011   2.927
   39   1HG2  VAL   5          1HG2      VAL   5  -6.084  -0.209   1.658
   40   2HG2  VAL   5          2HG2      VAL   5  -5.104  -0.232   0.192
   41   3HG2  VAL   5          3HG2      VAL   5  -5.301   1.268   1.098
   42    H    ASN   6           H        ASN   6  -2.671   0.526   5.528
   43    HA   ASN   6           HA       ASN   6  -0.842   2.640   4.718
   44   1HB   ASN   6          2HB       ASN   6   0.022   2.397   7.086
   45   2HB   ASN   6          1HB       ASN   6  -1.656   2.902   6.938
   46   1HD2  ASN   6          1HD2      ASN   6   0.405   0.079   7.493
   47   2HD2  ASN   6          2HD2      ASN   6  -0.737  -0.778   8.465
   48    H    CYS   7           H        CYS   7   1.516   2.361   5.276
   49    HA   CYS   7           HA       CYS   7   2.719  -0.172   5.484
   50   1HB   CYS   7          2HB       CYS   7   3.659  -0.316   3.132
   51   2HB   CYS   7          1HB       CYS   7   1.958  -0.728   3.289
   52    H    LYS   8           H        LYS   8   5.063  -0.119   4.668
   53    HA   LYS   8           HA       LYS   8   6.216   2.558   5.092
   54   1HB   LYS   8          2HB       LYS   8   7.555  -0.031   5.888
   55   2HB   LYS   8          1HB       LYS   8   8.026   1.604   6.324
   56   1HG   LYS   8          2HG       LYS   8   5.330   0.758   7.180
   57   2HG   LYS   8          1HG       LYS   8   6.692  -0.046   7.962
   58   1HD   LYS   8          2HD       LYS   8   7.638   2.253   8.409
   59   2HD   LYS   8          1HD       LYS   8   6.087   2.904   7.875
   60   1HE   LYS   8          2HE       LYS   8   6.213   0.807  10.013
   61   2HE   LYS   8          1HE       LYS   8   6.491   2.503  10.404
   62   1HZ   LYS   8          1HZ       LYS   8   4.033   1.239   9.358
   63   2HZ   LYS   8          2HZ       LYS   8   4.286   2.905   9.219
   64   3HZ   LYS   8          3HZ       LYS   8   4.226   2.185  10.747
   65    H    THR   9           H        THR   9   6.711  -0.661   3.663
   66    HA   THR   9           HA       THR   9   8.372   0.552   1.553
   67    HB   THR   9           HB       THR   9   9.431  -1.604   1.247
   68    HG1  THR   9           1HG      THR   9   8.592  -3.384   1.970
   69   1HG2  THR   9          1HG2      THR   9  10.845  -1.118   2.869
   70   2HG2  THR   9          2HG2      THR   9   9.781  -1.926   4.021
   71   3HG2  THR   9          3HG2      THR   9   9.601  -0.199   3.715
   72    H    ASP  10           H        ASP  10   8.264  -1.187  -0.456
   73    HA   ASP  10           HA       ASP  10   5.767  -0.764  -1.644
   74   1HB   ASP  10          2HB       ASP  10   8.205  -2.305  -2.344
   75   2HB   ASP  10          1HB       ASP  10   6.726  -2.741  -3.192
   76    H    ARG  11           H        ARG  11   7.144  -3.947  -0.731
   77    HA   ARG  11           HA       ARG  11   4.648  -5.282  -1.033
   78   1HB   ARG  11          2HB       ARG  11   7.364  -6.022  -0.575
   79   2HB   ARG  11          1HB       ARG  11   6.361  -6.824   0.627
   80   1HG   ARG  11          2HG       ARG  11   5.524  -6.888  -2.232
   81   2HG   ARG  11          1HG       ARG  11   6.830  -7.941  -1.688
   82   1HD   ARG  11          2HD       ARG  11   5.332  -8.822   0.075
   83   2HD   ARG  11          1HD       ARG  11   4.031  -7.824  -0.569
   84    HE   ARG  11           HE       ARG  11   3.739  -9.341  -2.255
   85   1HH1  ARG  11          1HH1      ARG  11   6.843  -9.954  -0.749
   86   2HH1  ARG  11          2HH1      ARG  11   7.105 -11.434  -1.607
   87   1HH2  ARG  11          1HH2      ARG  11   4.093 -11.293  -3.384
   88   2HH2  ARG  11          2HH2      ARG  11   5.544 -12.194  -3.104
   89    H    ASP  12           H        ASP  12   5.320  -3.103   1.309
   90    HA   ASP  12           HA       ASP  12   4.408  -4.581   3.607
   91   1HB   ASP  12          2HB       ASP  12   5.342  -1.843   3.079
   92   2HB   ASP  12          1HB       ASP  12   4.057  -1.943   4.274
   93    H    CYS  13           H        CYS  13   3.058  -2.674   1.053
   94    HA   CYS  13           HA       CYS  13   0.431  -2.610   2.304
   95   1HB   CYS  13          2HB       CYS  13   1.726  -0.864   0.609
   96   2HB   CYS  13          1HB       CYS  13   0.640  -1.717  -0.482
   97    H    VAL  14           H        VAL  14   1.861  -5.129   1.381
   98    HA   VAL  14           HA       VAL  14   0.819  -6.187  -0.940
   99    HB   VAL  14           HB       VAL  14   2.512  -7.223   0.685
  100   1HG1  VAL  14          1HG1      VAL  14   1.866  -8.428   2.492
  101   2HG1  VAL  14          2HG1      VAL  14   0.300  -8.847   1.798
  102   3HG1  VAL  14          3HG1      VAL  14   0.559  -7.245   2.490
  103   1HG2  VAL  14          1HG2      VAL  14   0.454  -8.692  -0.901
  104   2HG2  VAL  14          2HG2      VAL  14   1.678  -9.591  -0.003
  105   3HG2  VAL  14          3HG2      VAL  14   2.165  -8.431  -1.240
  106    H    MET  15           H        MET  15  -0.807  -5.627   2.105
  107    HA   MET  15           HA       MET  15  -2.996  -7.340   1.874
  108   1HB   MET  15          2HB       MET  15  -2.284  -5.033   3.449
  109   2HB   MET  15          1HB       MET  15  -3.964  -4.910   2.944
  110   1HG   MET  15          2HG       MET  15  -2.906  -7.428   4.166
  111   2HG   MET  15          1HG       MET  15  -3.412  -6.068   5.166
  112   1HE   MET  15          1HE       MET  15  -4.233  -9.131   3.394
  113   2HE   MET  15          2HE       MET  15  -4.927  -8.260   2.027
  114   3HE   MET  15          3HE       MET  15  -5.975  -9.158   3.126
  115    H    CYS  16           H        CYS  16  -2.202  -4.439   0.134
  116    HA   CYS  16           HA       CYS  16  -4.861  -4.053  -0.934
  117   1HB   CYS  16          2HB       CYS  16  -3.027  -2.252  -0.460
  118   2HB   CYS  16          1HB       CYS  16  -2.379  -2.742  -2.022
  119    H    GLY  17           H        GLY  17  -1.687  -5.182  -2.142
  120   1HA   GLY  17          2HA       GLY  17  -2.919  -6.994  -3.969
  121   2HA   GLY  17          1HA       GLY  17  -2.326  -5.573  -4.811
  122    H    LEU  18           H        LEU  18  -1.072  -7.360  -5.879
  123    HA   LEU  18           HA       LEU  18   1.210  -8.331  -4.375
  124   1HB   LEU  18          2HB       LEU  18   0.068  -8.947  -7.071
  125   2HB   LEU  18          1HB       LEU  18   1.724  -9.384  -6.701
  126    HG   LEU  18           HG       LEU  18  -0.342 -10.243  -4.752
  127   1HD1  LEU  18          1HD1      LEU  18  -0.318 -11.058  -7.591
  128   2HD1  LEU  18          2HD1      LEU  18  -1.635 -11.053  -6.418
  129   3HD1  LEU  18          3HD1      LEU  18  -0.442 -12.352  -6.400
  130   1HD2  LEU  18          1HD2      LEU  18   2.196 -10.663  -4.704
  131   2HD2  LEU  18          2HD2      LEU  18   1.876 -11.859  -5.961
  132   3HD2  LEU  18          3HD2      LEU  18   1.116 -12.019  -4.376
  133    H    GLY  19           H        GLY  19   2.194  -6.321  -4.046
  134   1HA   GLY  19          2HA       GLY  19   4.224  -5.196  -4.645
  135   2HA   GLY  19          1HA       GLY  19   3.815  -5.435  -6.339
  136    H    ILE  20           H        ILE  20   3.008  -3.616  -3.428
  137    HA   ILE  20           HA       ILE  20   1.619  -1.624  -5.088
  138    HB   ILE  20           HB       ILE  20   1.440  -1.545  -2.129
  139   1HG1  ILE  20          2HG1      ILE  20   1.167  -3.892  -2.412
  140   2HG1  ILE  20          1HG1      ILE  20  -0.437  -3.199  -2.187
  141   1HG2  ILE  20          1HG2      ILE  20   0.204   0.134  -3.114
  142   2HG2  ILE  20          2HG2      ILE  20  -1.012  -1.116  -2.854
  143   3HG2  ILE  20          3HG2      ILE  20  -0.310  -0.889  -4.455
  144   1HD1  ILE  20          1HD1      ILE  20   0.116  -3.238  -4.970
  145   2HD1  ILE  20          2HD1      ILE  20  -1.113  -4.125  -4.073
  146   3HD1  ILE  20          3HD1      ILE  20   0.488  -4.824  -4.299
  147    H    SER  21           H        SER  21   2.188   0.520  -5.011
  148    HA   SER  21           HA       SER  21   4.816   1.117  -3.935
  149   1HB   SER  21          2HB       SER  21   2.931   3.016  -5.357
  150   2HB   SER  21          1HB       SER  21   4.673   3.194  -5.139
  151    HG   SER  21           HG       SER  21   3.562   2.193  -7.205
  152    H    CYS  22           H        CYS  22   5.178   2.141  -2.046
  153    HA   CYS  22           HA       CYS  22   2.836   2.931  -0.499
  154   1HB   CYS  22          2HB       CYS  22   4.757   1.381   0.334
  155   2HB   CYS  22          1HB       CYS  22   5.621   2.890   0.610
  156    H    LYS  23           H        LYS  23   2.286   4.927  -0.080
  157    HA   LYS  23           HA       LYS  23   4.029   7.130  -0.893
  158   1HB   LYS  23          2HB       LYS  23   1.324   6.679  -1.268
  159   2HB   LYS  23          1HB       LYS  23   1.345   7.805   0.081
  160   1HG   LYS  23          2HG       LYS  23   1.152   8.915  -2.110
  161   2HG   LYS  23          1HG       LYS  23   2.586   9.410  -1.208
  162   1HD   LYS  23          2HD       LYS  23   3.281   7.154  -2.779
  163   2HD   LYS  23          1HD       LYS  23   2.421   8.291  -3.819
  164   1HE   LYS  23          2HE       LYS  23   3.981   9.981  -3.475
  165   2HE   LYS  23          1HE       LYS  23   4.608   9.236  -2.005
  166   1HZ   LYS  23          1HZ       LYS  23   6.248   8.706  -3.472
  167   2HZ   LYS  23          2HZ       LYS  23   5.210   8.621  -4.804
  168   3HZ   LYS  23          3HZ       LYS  23   5.258   7.351  -3.688
  169    H    ASN  24           H        ASN  24   2.740   9.029   0.850
  170    HA   ASN  24           HA       ASN  24   4.442   9.093   3.000
  171   1HB   ASN  24          2HB       ASN  24   2.734  10.863   1.939
  172   2HB   ASN  24          1HB       ASN  24   1.795  10.394   3.350
  173   1HD2  ASN  24          1HD2      ASN  24   3.919  12.596   2.244
  174   2HD2  ASN  24          2HD2      ASN  24   4.656  13.079   3.730
  175    H    GLY  25           H        GLY  25   4.056   6.697   3.482
  176   1HA   GLY  25          2HA       GLY  25   3.651   5.262   5.247
  177   2HA   GLY  25          1HA       GLY  25   2.706   6.524   6.018
  178    H    TYR  26           H        TYR  26   1.793   5.851   2.764
  179    HA   TYR  26           HA       TYR  26  -0.219   3.907   3.623
  180   1HB   TYR  26          2HB       TYR  26  -0.861   6.611   2.455
  181   2HB   TYR  26          1HB       TYR  26  -2.006   5.272   2.442
  182    HD1  TYR  26           1HD      TYR  26  -2.105   4.069   4.900
  183    HD2  TYR  26           2HD      TYR  26  -1.210   8.156   4.129
  184    HE1  TYR  26           1HE      TYR  26  -2.818   4.645   7.174
  185    HE2  TYR  26           2HE      TYR  26  -1.929   8.748   6.404
  186    HH   TYR  26           HH       TYR  26  -2.340   6.536   8.842
  187    H    CYS  27           H        CYS  27  -1.761   3.532   1.570
  188    HA   CYS  27           HA       CYS  27  -0.004   2.432  -0.440
  189   1HB   CYS  27          2HB       CYS  27  -2.572   1.810   0.617
  190   2HB   CYS  27          1HB       CYS  27  -2.759   2.081  -1.110
  191    H    GLN  28           H        GLN  28   0.063   2.926  -2.588
  192    HA   GLN  28           HA       GLN  28  -0.938   5.560  -3.347
  193   1HB   GLN  28          2HB       GLN  28   1.239   3.785  -4.219
  194   2HB   GLN  28          1HB       GLN  28   0.412   4.602  -5.533
  195   1HG   GLN  28          2HG       GLN  28   0.867   6.754  -4.512
  196   2HG   GLN  28          1HG       GLN  28   1.650   5.954  -3.150
  197   1HE2  GLN  28          1HE2      GLN  28   3.657   4.931  -3.475
  198   2HE2  GLN  28          2HE2      GLN  28   4.660   5.322  -4.827
  199    H    GLY  29           H        GLY  29  -0.928   2.253  -4.643
  200   1HA   GLY  29          2HA       GLY  29  -3.608   2.092  -5.332
  201   2HA   GLY  29          1HA       GLY  29  -2.772   2.743  -6.736
  202    H    CYS  30           H        CYS  30  -3.504  -0.057  -4.934
  203    HA   CYS  30           HA       CYS  30  -1.406  -1.703  -5.995
  204   1HB   CYS  30          2HB       CYS  30  -2.715  -3.554  -4.902
  205   2HB   CYS  30          1HB       CYS  30  -2.235  -2.251  -3.826
  206    H    THR  31           H        THR  31  -3.938  -3.751  -6.234
  207    HA   THR  31           HA       THR  31  -4.059  -3.430  -9.141
  208    HB   THR  31           HB       THR  31  -4.513  -5.742  -9.306
  209    HG1  THR  31           1HG      THR  31  -5.168  -5.617  -6.558
  210   1HG2  THR  31          1HG2      THR  31  -2.539  -6.540  -8.689
  211   2HG2  THR  31          2HG2      THR  31  -2.871  -6.268  -6.978
  212   3HG2  THR  31          3HG2      THR  31  -2.234  -4.959  -7.973
  Start of MODEL   16
    1   1H    THR   1          1HT       THR   1 -10.155  -0.201  -2.766
    2   2H    THR   1          2HT       THR   1  -9.820   0.202  -1.132
    3   3H    THR   1          3HT       THR   1  -8.718  -0.768  -2.022
    4    HA   THR   1           HA       THR   1  -8.281   1.043  -3.499
    5    HB   THR   1           HB       THR   1  -9.175   3.314  -2.350
    6    HG1  THR   1           1HG      THR   1 -11.482   1.746  -2.119
    7   1HG2  THR   1          1HG2      THR   1  -9.675   3.291  -4.549
    8   2HG2  THR   1          2HG2      THR   1 -11.286   2.949  -3.919
    9   3HG2  THR   1          3HG2      THR   1 -10.273   1.633  -4.516
   10    HA   PRO   2           HA       PRO   2  -5.034   2.032  -0.643
   11   1HB   PRO   2          2HB       PRO   2  -3.832   4.116  -1.817
   12   2HB   PRO   2          1HB       PRO   2  -3.868   2.528  -2.593
   13   1HG   PRO   2          2HG       PRO   2  -5.551   4.940  -3.130
   14   2HG   PRO   2          1HG       PRO   2  -4.810   3.814  -4.281
   15   1HD   PRO   2          2HD       PRO   2  -7.447   3.722  -3.478
   16   2HD   PRO   2          1HD       PRO   2  -6.544   2.337  -4.122
   17    H    TYR   3           H        TYR   3  -7.516   3.084   0.269
   18    HA   TYR   3           HA       TYR   3  -6.858   5.761   1.235
   19   1HB   TYR   3          2HB       TYR   3  -9.259   4.589   0.445
   20   2HB   TYR   3          1HB       TYR   3  -9.367   4.641   2.200
   21    HD1  TYR   3           1HD      TYR   3  -9.174   6.834   3.381
   22    HD2  TYR   3           2HD      TYR   3  -9.444   6.579  -0.858
   23    HE1  TYR   3           1HE      TYR   3  -9.787   9.212   3.283
   24    HE2  TYR   3           2HE      TYR   3 -10.058   8.957  -0.967
   25    HH   TYR   3           HH       TYR   3 -11.006  10.743   1.722
   26    HA   PRO   4           HA       PRO   4  -7.033   3.351   5.288
   27   1HB   PRO   4          2HB       PRO   4  -8.357   1.057   5.530
   28   2HB   PRO   4          1HB       PRO   4  -9.225   2.582   5.319
   29   1HG   PRO   4          2HG       PRO   4  -8.782   0.378   3.386
   30   2HG   PRO   4          1HG       PRO   4 -10.122   1.531   3.492
   31   1HD   PRO   4          2HD       PRO   4  -7.822   1.657   1.792
   32   2HD   PRO   4          1HD       PRO   4  -9.137   2.840   1.932
   33    H    VAL   5           H        VAL   5  -5.509   2.123   2.658
   34    HA   VAL   5           HA       VAL   5  -4.345  -0.172   4.069
   35    HB   VAL   5           HB       VAL   5  -3.194   0.219   1.457
   36   1HG1  VAL   5          1HG1      VAL   5  -3.274  -2.009   1.465
   37   2HG1  VAL   5          2HG1      VAL   5  -5.000  -2.040   1.823
   38   3HG1  VAL   5          3HG1      VAL   5  -3.830  -1.853   3.130
   39   1HG2  VAL   5          1HG2      VAL   5  -5.136  -0.114   0.057
   40   2HG2  VAL   5          2HG2      VAL   5  -5.339   1.375   0.978
   41   3HG2  VAL   5          3HG2      VAL   5  -6.199  -0.084   1.464
   42    H    ASN   6           H        ASN   6  -2.925   0.617   5.491
   43    HA   ASN   6           HA       ASN   6  -1.005   2.655   4.694
   44   1HB   ASN   6          2HB       ASN   6  -0.238   2.479   7.089
   45   2HB   ASN   6          1HB       ASN   6  -1.907   2.991   6.880
   46   1HD2  ASN   6          1HD2      ASN   6  -3.573   1.615   7.510
   47   2HD2  ASN   6          2HD2      ASN   6  -3.294   0.226   8.498
   48    H    CYS   7           H        CYS   7   1.324   2.311   5.343
   49    HA   CYS   7           HA       CYS   7   2.404  -0.276   5.641
   50   1HB   CYS   7          2HB       CYS   7   3.438  -0.483   3.333
   51   2HB   CYS   7          1HB       CYS   7   1.717  -0.820   3.423
   52    H    LYS   8           H        LYS   8   4.769  -0.351   4.934
   53    HA   LYS   8           HA       LYS   8   6.056   2.259   5.386
   54   1HB   LYS   8          2HB       LYS   8   6.707  -0.457   6.517
   55   2HB   LYS   8          1HB       LYS   8   7.928   0.806   6.418
   56   1HG   LYS   8          2HG       LYS   8   6.264   2.266   7.696
   57   2HG   LYS   8          1HG       LYS   8   5.409   0.761   8.041
   58   1HD   LYS   8          2HD       LYS   8   7.115  -0.064   9.355
   59   2HD   LYS   8          1HD       LYS   8   8.344   0.925   8.565
   60   1HE   LYS   8          2HE       LYS   8   6.225   2.389  10.009
   61   2HE   LYS   8          1HE       LYS   8   7.335   1.454  11.007
   62   1HZ   LYS   8          1HZ       LYS   8   7.899   3.889  10.414
   63   2HZ   LYS   8          2HZ       LYS   8   8.398   3.251   8.929
   64   3HZ   LYS   8          3HZ       LYS   8   9.126   2.725  10.363
   65    H    THR   9           H        THR   9   6.391  -0.989   3.998
   66    HA   THR   9           HA       THR   9   8.240   0.092   1.977
   67    HB   THR   9           HB       THR   9   8.067  -2.849   2.416
   68    HG1  THR   9           1HG      THR   9   8.361  -2.492   4.493
   69   1HG2  THR   9          1HG2      THR   9  10.715  -2.019   2.451
   70   2HG2  THR   9          2HG2      THR   9   9.929  -0.978   1.264
   71   3HG2  THR   9          3HG2      THR   9   9.839  -2.732   1.097
   72    H    ASP  10           H        ASP  10   8.121  -1.642  -0.033
   73    HA   ASP  10           HA       ASP  10   5.659  -1.104  -1.267
   74   1HB   ASP  10          2HB       ASP  10   6.487  -2.820  -3.004
   75   2HB   ASP  10          1HB       ASP  10   7.432  -1.359  -2.761
   76    H    ARG  11           H        ARG  11   6.931  -4.310  -0.256
   77    HA   ARG  11           HA       ARG  11   4.429  -5.604  -0.722
   78   1HB   ARG  11          2HB       ARG  11   7.008  -6.426   0.565
   79   2HB   ARG  11          1HB       ARG  11   5.588  -7.453   0.701
   80   1HG   ARG  11          2HG       ARG  11   5.978  -8.295  -1.303
   81   2HG   ARG  11          1HG       ARG  11   5.874  -6.687  -2.022
   82   1HD   ARG  11          2HD       ARG  11   8.344  -6.570  -0.954
   83   2HD   ARG  11          1HD       ARG  11   8.239  -8.298  -1.295
   84    HE   ARG  11           HE       ARG  11   8.419  -6.144  -3.203
   85   1HH1  ARG  11          1HH1      ARG  11   7.469  -9.483  -2.718
   86   2HH1  ARG  11          2HH1      ARG  11   7.634  -9.901  -4.390
   87   1HH2  ARG  11          1HH2      ARG  11   8.632  -6.702  -5.405
   88   2HH2  ARG  11          2HH2      ARG  11   8.294  -8.321  -5.917
   89    H    ASP  12           H        ASP  12   5.020  -3.392   1.603
   90    HA   ASP  12           HA       ASP  12   3.930  -4.761   3.891
   91   1HB   ASP  12          2HB       ASP  12   4.911  -2.038   3.297
   92   2HB   ASP  12          1HB       ASP  12   3.618  -2.128   4.487
   93    H    CYS  13           H        CYS  13   2.793  -2.872   1.211
   94    HA   CYS  13           HA       CYS  13   0.099  -2.710   2.300
   95   1HB   CYS  13          2HB       CYS  13   1.577  -1.077   0.602
   96   2HB   CYS  13          1HB       CYS  13   0.427  -1.867  -0.469
   97    H    VAL  14           H        VAL  14   1.527  -5.278   1.452
   98    HA   VAL  14           HA       VAL  14   0.550  -6.326  -0.901
   99    HB   VAL  14           HB       VAL  14   2.163  -7.395   0.757
  100   1HG1  VAL  14          1HG1      VAL  14  -0.073  -8.944   1.902
  101   2HG1  VAL  14          2HG1      VAL  14   0.146  -7.306   2.521
  102   3HG1  VAL  14          3HG1      VAL  14   1.469  -8.467   2.616
  103   1HG2  VAL  14          1HG2      VAL  14   1.165  -9.760   0.146
  104   2HG2  VAL  14          2HG2      VAL  14   1.843  -8.696  -1.086
  105   3HG2  VAL  14          3HG2      VAL  14   0.096  -8.786  -0.863
  106    H    MET  15           H        MET  15  -1.171  -5.713   2.080
  107    HA   MET  15           HA       MET  15  -3.398  -7.375   1.743
  108   1HB   MET  15          2HB       MET  15  -2.658  -5.163   3.421
  109   2HB   MET  15          1HB       MET  15  -4.301  -4.922   2.845
  110   1HG   MET  15          2HG       MET  15  -5.123  -6.617   4.067
  111   2HG   MET  15          1HG       MET  15  -3.699  -7.627   3.825
  112   1HE   MET  15          1HE       MET  15  -3.977  -7.421   7.731
  113   2HE   MET  15          2HE       MET  15  -3.891  -8.491   6.331
  114   3HE   MET  15          3HE       MET  15  -5.312  -7.478   6.580
  115    H    CYS  16           H        CYS  16  -2.444  -4.471   0.099
  116    HA   CYS  16           HA       CYS  16  -5.055  -3.951  -1.032
  117   1HB   CYS  16          2HB       CYS  16  -3.155  -2.243  -0.473
  118   2HB   CYS  16          1HB       CYS  16  -2.493  -2.726  -2.031
  119    H    GLY  17           H        GLY  17  -1.896  -5.182  -2.177
  120   1HA   GLY  17          2HA       GLY  17  -3.165  -6.890  -4.088
  121   2HA   GLY  17          1HA       GLY  17  -2.446  -5.491  -4.866
  122    H    LEU  18           H        LEU  18  -1.261  -7.320  -5.926
  123    HA   LEU  18           HA       LEU  18   0.883  -8.478  -4.354
  124   1HB   LEU  18          2HB       LEU  18  -0.086  -8.913  -7.164
  125   2HB   LEU  18          1HB       LEU  18   1.445  -9.561  -6.609
  126    HG   LEU  18           HG       LEU  18   0.035 -10.635  -4.708
  127   1HD1  LEU  18          1HD1      LEU  18  -2.181 -10.776  -6.644
  128   2HD1  LEU  18          2HD1      LEU  18  -1.999  -9.241  -5.796
  129   3HD1  LEU  18          3HD1      LEU  18  -2.209 -10.733  -4.882
  130   1HD2  LEU  18          1HD2      LEU  18  -0.467 -12.573  -6.191
  131   2HD2  LEU  18          2HD2      LEU  18   1.177 -11.953  -6.348
  132   3HD2  LEU  18          3HD2      LEU  18  -0.032 -11.567  -7.573
  133    H    GLY  19           H        GLY  19   1.961  -6.520  -3.926
  134   1HA   GLY  19          2HA       GLY  19   4.076  -5.502  -4.390
  135   2HA   GLY  19          1HA       GLY  19   3.765  -5.719  -6.108
  136    H    ILE  20           H        ILE  20   2.858  -3.858  -3.251
  137    HA   ILE  20           HA       ILE  20   1.691  -1.796  -4.990
  138    HB   ILE  20           HB       ILE  20   1.368  -1.667  -2.049
  139   1HG1  ILE  20          2HG1      ILE  20   1.006  -4.005  -2.318
  140   2HG1  ILE  20          1HG1      ILE  20  -0.573  -3.238  -2.171
  141   1HG2  ILE  20          1HG2      ILE  20  -1.017  -1.126  -2.887
  142   2HG2  ILE  20          2HG2      ILE  20  -0.248  -0.991  -4.468
  143   3HG2  ILE  20          3HG2      ILE  20   0.271   0.052  -3.145
  144   1HD1  ILE  20          1HD1      ILE  20   0.122  -3.342  -4.929
  145   2HD1  ILE  20          2HD1      ILE  20  -1.209  -4.132  -4.089
  146   3HD1  ILE  20          3HD1      ILE  20   0.353  -4.938  -4.216
  147    H    SER  21           H        SER  21   2.300   0.341  -4.823
  148    HA   SER  21           HA       SER  21   4.930   0.812  -3.670
  149   1HB   SER  21          2HB       SER  21   3.314   2.946  -5.029
  150   2HB   SER  21          1HB       SER  21   5.060   2.713  -5.014
  151    HG   SER  21           HG       SER  21   3.180   1.719  -6.729
  152    H    CYS  22           H        CYS  22   5.269   1.859  -1.787
  153    HA   CYS  22           HA       CYS  22   2.903   2.757  -0.336
  154   1HB   CYS  22          2HB       CYS  22   4.748   1.158   0.586
  155   2HB   CYS  22          1HB       CYS  22   5.635   2.648   0.884
  156    H    LYS  23           H        LYS  23   2.401   4.775  -0.011
  157    HA   LYS  23           HA       LYS  23   4.268   6.897  -0.767
  158   1HB   LYS  23          2HB       LYS  23   1.576   6.521  -1.310
  159   2HB   LYS  23          1HB       LYS  23   1.555   7.692   0.001
  160   1HG   LYS  23          2HG       LYS  23   1.551   8.712  -2.249
  161   2HG   LYS  23          1HG       LYS  23   2.921   9.208  -1.254
  162   1HD   LYS  23          2HD       LYS  23   3.634   6.860  -2.710
  163   2HD   LYS  23          1HD       LYS  23   2.959   8.047  -3.830
  164   1HE   LYS  23          2HE       LYS  23   4.518   9.736  -2.927
  165   2HE   LYS  23          1HE       LYS  23   5.225   8.498  -1.890
  166   1HZ   LYS  23          1HZ       LYS  23   6.637   8.320  -3.623
  167   2HZ   LYS  23          2HZ       LYS  23   5.531   8.920  -4.752
  168   3HZ   LYS  23          3HZ       LYS  23   5.434   7.309  -4.251
  169    H    ASN  24           H        ASN  24   2.895   8.866   0.846
  170    HA   ASN  24           HA       ASN  24   4.445   8.970   3.098
  171   1HB   ASN  24          2HB       ASN  24   3.072  10.834   2.007
  172   2HB   ASN  24          1HB       ASN  24   1.715  10.241   2.956
  173   1HD2  ASN  24          1HD2      ASN  24   3.505  12.740   2.937
  174   2HD2  ASN  24          2HD2      ASN  24   3.894  12.958   4.606
  175    H    GLY  25           H        GLY  25   4.056   6.591   3.603
  176   1HA   GLY  25          2HA       GLY  25   3.529   5.143   5.318
  177   2HA   GLY  25          1HA       GLY  25   2.600   6.430   6.068
  178    H    TYR  26           H        TYR  26   1.762   5.773   2.784
  179    HA   TYR  26           HA       TYR  26  -0.330   3.895   3.594
  180   1HB   TYR  26          2HB       TYR  26  -0.862   6.607   2.388
  181   2HB   TYR  26          1HB       TYR  26  -2.047   5.302   2.364
  182    HD1  TYR  26           1HD      TYR  26  -1.221   8.184   4.027
  183    HD2  TYR  26           2HD      TYR  26  -2.217   4.131   4.841
  184    HE1  TYR  26           1HE      TYR  26  -1.970   8.827   6.279
  185    HE2  TYR  26           2HE      TYR  26  -2.966   4.757   7.091
  186    HH   TYR  26           HH       TYR  26  -3.873   7.401   8.061
  187    H    CYS  27           H        CYS  27  -1.795   3.480   1.538
  188    HA   CYS  27           HA       CYS  27  -0.023   2.333  -0.413
  189   1HB   CYS  27          2HB       CYS  27  -2.652   1.832   0.547
  190   2HB   CYS  27          1HB       CYS  27  -2.764   2.096  -1.187
  191    H    GLN  28           H        GLN  28   0.137   2.795  -2.567
  192    HA   GLN  28           HA       GLN  28  -0.692   5.472  -3.378
  193   1HB   GLN  28          2HB       GLN  28   1.413   3.571  -4.160
  194   2HB   GLN  28          1HB       GLN  28   0.681   4.427  -5.508
  195   1HG   GLN  28          2HG       GLN  28   1.160   6.561  -4.324
  196   2HG   GLN  28          1HG       GLN  28   2.043   5.630  -3.114
  197   1HE2  GLN  28          1HE2      GLN  28   4.037   4.772  -3.621
  198   2HE2  GLN  28          2HE2      GLN  28   4.897   5.183  -5.061
  199    H    GLY  29           H        GLY  29  -0.777   2.176  -4.713
  200   1HA   GLY  29          2HA       GLY  29  -3.457   2.164  -5.479
  201   2HA   GLY  29          1HA       GLY  29  -2.523   2.743  -6.854
  202    H    CYS  30           H        CYS  30  -3.478   0.018  -5.026
  203    HA   CYS  30           HA       CYS  30  -1.458  -1.758  -6.042
  204   1HB   CYS  30          2HB       CYS  30  -2.835  -3.513  -4.896
  205   2HB   CYS  30          1HB       CYS  30  -2.310  -2.200  -3.852
  206    H    THR  31           H        THR  31  -4.068  -3.693  -6.223
  207    HA   THR  31           HA       THR  31  -4.181  -3.455  -9.132
  208    HB   THR  31           HB       THR  31  -4.839  -5.732  -9.198
  209    HG1  THR  31           1HG      THR  31  -5.940  -6.653  -7.671
  210   1HG2  THR  31          1HG2      THR  31  -2.482  -5.064  -7.928
  211   2HG2  THR  31          2HG2      THR  31  -2.915  -6.642  -8.582
  212   3HG2  THR  31          3HG2      THR  31  -3.200  -6.286  -6.879
  Start of MODEL   17
    1   1H    THR   1          1HT       THR   1  -8.619  -0.601  -2.175
    2   2H    THR   1          2HT       THR   1  -9.987  -0.038  -3.045
    3   3H    THR   1          3HT       THR   1  -9.732   0.464  -1.423
    4    HA   THR   1           HA       THR   1  -8.079   1.112  -3.773
    5    HB   THR   1           HB       THR   1  -8.849   3.469  -2.765
    6    HG1  THR   1           1HG      THR   1 -11.224   2.043  -2.347
    7   1HG2  THR   1          1HG2      THR   1  -9.540   2.018  -5.005
    8   2HG2  THR   1          2HG2      THR   1  -9.936   3.705  -4.679
    9   3HG2  THR   1          3HG2      THR   1 -11.090   2.435  -4.274
   10    HA   PRO   2           HA       PRO   2  -4.819   2.024  -0.902
   11   1HB   PRO   2          2HB       PRO   2  -3.452   3.937  -2.171
   12   2HB   PRO   2          1HB       PRO   2  -3.608   2.322  -2.869
   13   1HG   PRO   2          2HG       PRO   2  -5.100   4.828  -3.538
   14   2HG   PRO   2          1HG       PRO   2  -4.436   3.597  -4.627
   15   1HD   PRO   2          2HD       PRO   2  -7.080   3.736  -3.842
   16   2HD   PRO   2          1HD       PRO   2  -6.277   2.264  -4.423
   17    H    TYR   3           H        TYR   3  -7.260   3.325  -0.141
   18    HA   TYR   3           HA       TYR   3  -6.415   5.986   0.713
   19   1HB   TYR   3          2HB       TYR   3  -8.843   5.060  -0.159
   20   2HB   TYR   3          1HB       TYR   3  -9.048   5.011   1.588
   21    HD1  TYR   3           1HD      TYR   3 -10.367   6.812   2.207
   22    HD2  TYR   3           2HD      TYR   3  -7.259   7.435  -0.632
   23    HE1  TYR   3           1HE      TYR   3 -10.838   9.224   2.228
   24    HE2  TYR   3           2HE      TYR   3  -7.722   9.850  -0.618
   25    HH   TYR   3           HH       TYR   3 -10.513  11.183   0.707
   26    HA   PRO   4           HA       PRO   4  -6.888   3.818   4.881
   27   1HB   PRO   4          2HB       PRO   4  -8.353   1.615   5.185
   28   2HB   PRO   4          1HB       PRO   4  -9.119   3.178   4.882
   29   1HG   PRO   4          2HG       PRO   4  -8.777   0.862   3.069
   30   2HG   PRO   4          1HG       PRO   4 -10.025   2.118   3.068
   31   1HD   PRO   4          2HD       PRO   4  -7.652   1.979   1.460
   32   2HD   PRO   4          1HD       PRO   4  -8.894   3.245   1.468
   33    H    VAL   5           H        VAL   5  -5.347   2.375   2.378
   34    HA   VAL   5           HA       VAL   5  -4.396   0.068   3.913
   35    HB   VAL   5           HB       VAL   5  -3.123   0.397   1.319
   36   1HG1  VAL   5          1HG1      VAL   5  -2.915  -1.710   2.168
   37   2HG1  VAL   5          2HG1      VAL   5  -4.329  -1.939   1.139
   38   3HG1  VAL   5          3HG1      VAL   5  -4.531  -1.707   2.875
   39   1HG2  VAL   5          1HG2      VAL   5  -6.123   0.043   1.317
   40   2HG2  VAL   5          2HG2      VAL   5  -5.055  -0.040  -0.083
   41   3HG2  VAL   5          3HG2      VAL   5  -5.278   1.490   0.766
   42    H    ASN   6           H        ASN   6  -2.959   0.677   5.362
   43    HA   ASN   6           HA       ASN   6  -0.930   2.674   4.757
   44   1HB   ASN   6          2HB       ASN   6  -1.980   2.844   6.911
   45   2HB   ASN   6          1HB       ASN   6  -1.641   1.164   7.273
   46   1HD2  ASN   6          1HD2      ASN   6   0.566   0.560   7.677
   47   2HD2  ASN   6          2HD2      ASN   6   1.678   1.734   8.284
   48    H    CYS   7           H        CYS   7   1.330   2.228   5.335
   49    HA   CYS   7           HA       CYS   7   2.384  -0.360   5.623
   50   1HB   CYS   7          2HB       CYS   7   3.382  -0.632   3.316
   51   2HB   CYS   7          1HB       CYS   7   1.653  -0.921   3.418
   52    H    LYS   8           H        LYS   8   4.743  -0.473   4.873
   53    HA   LYS   8           HA       LYS   8   6.062   2.131   5.246
   54   1HB   LYS   8          2HB       LYS   8   6.809  -0.560   6.406
   55   2HB   LYS   8          1HB       LYS   8   7.894   0.823   6.402
   56   1HG   LYS   8          2HG       LYS   8   5.217   1.316   7.524
   57   2HG   LYS   8          1HG       LYS   8   6.236   0.200   8.435
   58   1HD   LYS   8          2HD       LYS   8   7.522   2.694   7.498
   59   2HD   LYS   8          1HD       LYS   8   6.300   2.867   8.759
   60   1HE   LYS   8          2HE       LYS   8   7.903   0.679   9.503
   61   2HE   LYS   8          1HE       LYS   8   9.010   1.938   8.961
   62   1HZ   LYS   8          1HZ       LYS   8   8.765   2.566  11.109
   63   2HZ   LYS   8          2HZ       LYS   8   7.215   1.907  11.263
   64   3HZ   LYS   8          3HZ       LYS   8   7.428   3.393  10.481
   65    H    THR   9           H        THR   9   6.396  -1.184   4.007
   66    HA   THR   9           HA       THR   9   8.246  -0.201   1.937
   67    HB   THR   9           HB       THR   9   9.221  -2.370   1.827
   68    HG1  THR   9           1HG      THR   9   8.355  -4.147   2.870
   69   1HG2  THR   9          1HG2      THR   9   9.515  -0.943   4.057
   70   2HG2  THR   9          2HG2      THR   9  10.309  -2.495   3.791
   71   3HG2  THR   9          3HG2      THR   9   8.831  -2.415   4.749
   72    H    ASP  10           H        ASP  10   8.097  -2.019   0.000
   73    HA   ASP  10           HA       ASP  10   5.705  -1.451  -1.336
   74   1HB   ASP  10          2HB       ASP  10   8.037  -3.216  -1.837
   75   2HB   ASP  10          1HB       ASP  10   6.567  -3.580  -2.734
   76    H    ARG  11           H        ARG  11   6.765  -4.687  -0.214
   77    HA   ARG  11           HA       ARG  11   4.183  -5.827  -0.586
   78   1HB   ARG  11          2HB       ARG  11   6.719  -6.787   0.694
   79   2HB   ARG  11          1HB       ARG  11   5.240  -7.728   0.821
   80   1HG   ARG  11          2HG       ARG  11   5.591  -8.592  -1.182
   81   2HG   ARG  11          1HG       ARG  11   5.585  -6.979  -1.900
   82   1HD   ARG  11          2HD       ARG  11   8.012  -6.813  -1.124
   83   2HD   ARG  11          1HD       ARG  11   7.921  -8.551  -0.848
   84    HE   ARG  11           HE       ARG  11   8.007  -8.890  -3.111
   85   1HH1  ARG  11          1HH1      ARG  11   7.306  -5.512  -2.516
   86   2HH1  ARG  11          2HH1      ARG  11   7.516  -5.046  -4.170
   87   1HH2  ARG  11          1HH2      ARG  11   8.281  -8.272  -5.294
   88   2HH2  ARG  11          2HH2      ARG  11   8.069  -6.615  -5.747
   89    H    ASP  12           H        ASP  12   4.931  -3.607   1.697
   90    HA   ASP  12           HA       ASP  12   3.801  -4.899   4.009
   91   1HB   ASP  12          2HB       ASP  12   4.975  -2.275   3.402
   92   2HB   ASP  12          1HB       ASP  12   3.630  -2.210   4.533
   93    H    CYS  13           H        CYS  13   2.709  -3.066   1.290
   94    HA   CYS  13           HA       CYS  13   0.049  -2.714   2.423
   95   1HB   CYS  13          2HB       CYS  13   1.554  -1.166   0.708
   96   2HB   CYS  13          1HB       CYS  13   0.435  -1.972  -0.385
   97    H    VAL  14           H        VAL  14   1.288  -5.387   1.695
   98    HA   VAL  14           HA       VAL  14   0.280  -6.484  -0.619
   99    HB   VAL  14           HB       VAL  14   1.753  -7.546   1.232
  100   1HG1  VAL  14          1HG1      VAL  14  -0.348  -7.374   2.824
  101   2HG1  VAL  14          2HG1      VAL  14   0.811  -8.694   2.958
  102   3HG1  VAL  14          3HG1      VAL  14  -0.716  -8.945   2.112
  103   1HG2  VAL  14          1HG2      VAL  14   1.537  -8.784  -0.696
  104   2HG2  VAL  14          2HG2      VAL  14  -0.214  -8.927  -0.540
  105   3HG2  VAL  14          3HG2      VAL  14   0.845  -9.872   0.508
  106    H    MET  15           H        MET  15  -1.458  -5.585   2.274
  107    HA   MET  15           HA       MET  15  -3.786  -7.106   1.999
  108   1HB   MET  15          2HB       MET  15  -3.555  -4.263   3.009
  109   2HB   MET  15          1HB       MET  15  -4.891  -5.361   3.319
  110   1HG   MET  15          2HG       MET  15  -3.744  -6.545   4.878
  111   2HG   MET  15          1HG       MET  15  -2.185  -6.267   4.104
  112   1HE   MET  15          1HE       MET  15  -0.673  -5.627   5.644
  113   2HE   MET  15          2HE       MET  15  -1.582  -5.852   7.139
  114   3HE   MET  15          3HE       MET  15  -0.748  -4.328   6.834
  115    H    CYS  16           H        CYS  16  -2.620  -4.384   0.178
  116    HA   CYS  16           HA       CYS  16  -5.172  -3.797  -1.050
  117   1HB   CYS  16          2HB       CYS  16  -3.211  -2.150  -0.560
  118   2HB   CYS  16          1HB       CYS  16  -2.513  -2.790  -2.044
  119    H    GLY  17           H        GLY  17  -2.066  -5.288  -2.019
  120   1HA   GLY  17          2HA       GLY  17  -3.374  -7.070  -3.820
  121   2HA   GLY  17          1HA       GLY  17  -2.611  -5.756  -4.699
  122    H    LEU  18           H        LEU  18  -1.484  -7.675  -5.625
  123    HA   LEU  18           HA       LEU  18   0.623  -8.801  -3.981
  124   1HB   LEU  18          2HB       LEU  18   1.148 -10.100  -6.095
  125   2HB   LEU  18          1HB       LEU  18  -0.374 -10.450  -5.303
  126    HG   LEU  18           HG       LEU  18  -0.558  -8.412  -7.415
  127   1HD1  LEU  18          1HD1      LEU  18   0.884  -9.570  -8.749
  128   2HD1  LEU  18          2HD1      LEU  18  -0.609 -10.445  -9.089
  129   3HD1  LEU  18          3HD1      LEU  18   0.563 -11.112  -7.953
  130   1HD2  LEU  18          1HD2      LEU  18  -2.508  -9.353  -6.276
  131   2HD2  LEU  18          2HD2      LEU  18  -2.069 -10.962  -6.849
  132   3HD2  LEU  18          3HD2      LEU  18  -2.537  -9.713  -8.002
  133    H    GLY  19           H        GLY  19   1.779  -6.876  -3.673
  134   1HA   GLY  19          2HA       GLY  19   3.933  -5.969  -4.207
  135   2HA   GLY  19          1HA       GLY  19   3.591  -6.253  -5.909
  136    H    ILE  20           H        ILE  20   2.806  -4.233  -3.131
  137    HA   ILE  20           HA       ILE  20   1.674  -2.210  -4.941
  138    HB   ILE  20           HB       ILE  20   1.404  -1.970  -1.994
  139   1HG1  ILE  20          2HG1      ILE  20   0.912  -4.286  -2.173
  140   2HG1  ILE  20          1HG1      ILE  20  -0.631  -3.441  -2.073
  141   1HG2  ILE  20          1HG2      ILE  20   0.366  -0.229  -3.093
  142   2HG2  ILE  20          2HG2      ILE  20  -0.970  -1.348  -2.831
  143   3HG2  ILE  20          3HG2      ILE  20  -0.193  -1.258  -4.411
  144   1HD1  ILE  20          1HD1      ILE  20  -1.288  -4.407  -3.945
  145   2HD1  ILE  20          2HD1      ILE  20   0.254  -5.251  -4.049
  146   3HD1  ILE  20          3HD1      ILE  20   0.059  -3.677  -4.814
  147    H    SER  21           H        SER  21   2.267  -0.029  -4.737
  148    HA   SER  21           HA       SER  21   4.958   0.382  -3.673
  149   1HB   SER  21          2HB       SER  21   3.436   2.545  -5.087
  150   2HB   SER  21          1HB       SER  21   5.162   2.191  -5.114
  151    HG   SER  21           HG       SER  21   4.843   0.642  -6.594
  152    H    CYS  22           H        CYS  22   5.325   1.491  -1.827
  153    HA   CYS  22           HA       CYS  22   2.982   2.540  -0.436
  154   1HB   CYS  22          2HB       CYS  22   4.727   0.871   0.567
  155   2HB   CYS  22          1HB       CYS  22   5.689   2.322   0.832
  156    H    LYS  23           H        LYS  23   2.607   4.610  -0.137
  157    HA   LYS  23           HA       LYS  23   4.606   6.582  -0.971
  158   1HB   LYS  23          2HB       LYS  23   2.791   8.149  -1.128
  159   2HB   LYS  23          1HB       LYS  23   2.284   6.667  -1.921
  160   1HG   LYS  23          2HG       LYS  23   1.191   6.100   0.355
  161   2HG   LYS  23          1HG       LYS  23   1.361   7.826   0.675
  162   1HD   LYS  23          2HD       LYS  23   0.131   8.295  -1.420
  163   2HD   LYS  23          1HD       LYS  23  -0.097   6.560  -1.642
  164   1HE   LYS  23          2HE       LYS  23  -1.429   6.405   0.330
  165   2HE   LYS  23          1HE       LYS  23  -1.026   8.055   0.802
  166   1HZ   LYS  23          1HZ       LYS  23  -2.532   8.922  -0.612
  167   2HZ   LYS  23          2HZ       LYS  23  -3.270   7.409  -0.447
  168   3HZ   LYS  23          3HZ       LYS  23  -2.302   7.734  -1.795
  169    H    ASN  24           H        ASN  24   3.416   8.678   0.641
  170    HA   ASN  24           HA       ASN  24   5.044   8.685   2.855
  171   1HB   ASN  24          2HB       ASN  24   3.498  10.534   1.660
  172   2HB   ASN  24          1HB       ASN  24   2.514  10.215   3.086
  173   1HD2  ASN  24          1HD2      ASN  24   2.880  11.626   4.635
  174   2HD2  ASN  24          2HD2      ASN  24   4.406  12.335   5.029
  175    H    GLY  25           H        GLY  25   4.447   6.357   3.402
  176   1HA   GLY  25          2HA       GLY  25   3.875   5.027   5.202
  177   2HA   GLY  25          1HA       GLY  25   2.993   6.381   5.887
  178    H    TYR  26           H        TYR  26   2.135   5.663   2.626
  179    HA   TYR  26           HA       TYR  26  -0.031   3.885   3.500
  180   1HB   TYR  26          2HB       TYR  26  -0.435   6.574   2.205
  181   2HB   TYR  26          1HB       TYR  26  -1.673   5.321   2.191
  182    HD1  TYR  26           1HD      TYR  26  -0.648   8.183   3.837
  183    HD2  TYR  26           2HD      TYR  26  -2.049   4.249   4.653
  184    HE1  TYR  26           1HE      TYR  26  -1.419   8.922   6.051
  185    HE2  TYR  26           2HE      TYR  26  -2.821   4.977   6.869
  186    HH   TYR  26           HH       TYR  26  -1.867   7.385   8.453
  187    H    CYS  27           H        CYS  27  -1.543   3.564   1.389
  188    HA   CYS  27           HA       CYS  27   0.188   2.225  -0.493
  189   1HB   CYS  27          2HB       CYS  27  -2.473   1.888   0.450
  190   2HB   CYS  27          1HB       CYS  27  -2.554   2.116  -1.289
  191    H    GLN  28           H        GLN  28   0.499   2.689  -2.614
  192    HA   GLN  28           HA       GLN  28  -0.266   5.351  -3.517
  193   1HB   GLN  28          2HB       GLN  28   1.796   3.348  -4.251
  194   2HB   GLN  28          1HB       GLN  28   1.203   4.366  -5.546
  195   1HG   GLN  28          2HG       GLN  28   1.714   6.330  -3.991
  196   2HG   GLN  28          1HG       GLN  28   2.644   5.164  -3.049
  197   1HE2  GLN  28          1HE2      GLN  28   4.599   4.464  -3.798
  198   2HE2  GLN  28          2HE2      GLN  28   5.355   5.087  -5.222
  199    H    GLY  29           H        GLY  29  -0.498   1.974  -4.597
  200   1HA   GLY  29          2HA       GLY  29  -3.078   2.006  -5.540
  201   2HA   GLY  29          1HA       GLY  29  -2.094   2.549  -6.895
  202    H    CYS  30           H        CYS  30  -3.207  -0.131  -5.123
  203    HA   CYS  30           HA       CYS  30  -1.178  -1.976  -5.993
  204   1HB   CYS  30          2HB       CYS  30  -2.701  -3.681  -4.945
  205   2HB   CYS  30          1HB       CYS  30  -2.190  -2.390  -3.868
  206    H    THR  31           H        THR  31  -3.834  -3.822  -6.358
  207    HA   THR  31           HA       THR  31  -4.207  -3.188  -9.197
  208    HB   THR  31           HB       THR  31  -2.695  -4.965  -9.377
  209    HG1  THR  31           1HG      THR  31  -4.795  -5.380 -10.417
  210   1HG2  THR  31          1HG2      THR  31  -3.494  -7.166  -7.974
  211   2HG2  THR  31          2HG2      THR  31  -3.781  -5.859  -6.826
  212   3HG2  THR  31          3HG2      THR  31  -2.177  -6.083  -7.524
  Start of MODEL   18
    1   1H    THR   1          1HT       THR   1  -9.134   3.709  -2.257
    2   2H    THR   1          2HT       THR   1 -10.455   2.780  -2.831
    3   3H    THR   1          3HT       THR   1  -9.146   3.146  -3.876
    4    HA   THR   1           HA       THR   1  -9.454   1.107  -1.896
    5    HB   THR   1           HB       THR   1  -7.239   0.896  -3.770
    6    HG1  THR   1           1HG      THR   1  -8.424   1.038  -5.653
    7   1HG2  THR   1          1HG2      THR   1  -8.025  -1.143  -3.091
    8   2HG2  THR   1          2HG2      THR   1  -8.842  -0.961  -4.644
    9   3HG2  THR   1          3HG2      THR   1  -9.713  -0.635  -3.146
   10    HA   PRO   2           HA       PRO   2  -4.973   2.260  -0.728
   11   1HB   PRO   2          2HB       PRO   2  -3.659   4.252  -1.930
   12   2HB   PRO   2          1HB       PRO   2  -3.843   2.679  -2.716
   13   1HG   PRO   2          2HG       PRO   2  -5.350   5.220  -3.178
   14   2HG   PRO   2          1HG       PRO   2  -4.741   4.049  -4.361
   15   1HD   PRO   2          2HD       PRO   2  -7.349   4.160  -3.453
   16   2HD   PRO   2          1HD       PRO   2  -6.585   2.722  -4.158
   17    H    TYR   3           H        TYR   3  -7.368   3.515   0.232
   18    HA   TYR   3           HA       TYR   3  -6.478   6.123   1.194
   19   1HB   TYR   3          2HB       TYR   3  -8.900   5.457   0.353
   20   2HB   TYR   3          1HB       TYR   3  -9.080   4.907   2.014
   21    HD1  TYR   3           1HD      TYR   3  -8.870   7.797  -0.176
   22    HD2  TYR   3           2HD      TYR   3  -8.905   6.523   3.883
   23    HE1  TYR   3           1HE      TYR   3  -9.374  10.097   0.536
   24    HE2  TYR   3           2HE      TYR   3  -9.409   8.817   4.606
   25    HH   TYR   3           HH       TYR   3 -10.451  10.876   3.623
   26    HA   PRO   4           HA       PRO   4  -6.684   3.716   5.250
   27   1HB   PRO   4          2HB       PRO   4  -8.064   1.444   5.494
   28   2HB   PRO   4          1HB       PRO   4  -8.887   3.001   5.350
   29   1HG   PRO   4          2HG       PRO   4  -8.622   0.821   3.370
   30   2HG   PRO   4          1HG       PRO   4  -9.879   2.058   3.521
   31   1HD   PRO   4          2HD       PRO   4  -7.595   2.049   1.779
   32   2HD   PRO   4          1HD       PRO   4  -8.859   3.283   1.920
   33    H    VAL   5           H        VAL   5  -5.265   2.464   2.580
   34    HA   VAL   5           HA       VAL   5  -4.112   0.137   3.951
   35    HB   VAL   5           HB       VAL   5  -3.076   0.516   1.281
   36   1HG1  VAL   5          1HG1      VAL   5  -2.866  -1.609   2.119
   37   2HG1  VAL   5          2HG1      VAL   5  -4.292  -1.788   1.097
   38   3HG1  VAL   5          3HG1      VAL   5  -4.476  -1.603   2.841
   39   1HG2  VAL   5          1HG2      VAL   5  -6.077   0.206   1.450
   40   2HG2  VAL   5          2HG2      VAL   5  -5.092   0.183  -0.012
   41   3HG2  VAL   5          3HG2      VAL   5  -5.252   1.672   0.921
   42    H    ASN   6           H        ASN   6  -2.609   0.887   5.308
   43    HA   ASN   6           HA       ASN   6  -0.673   2.877   4.428
   44   1HB   ASN   6          2HB       ASN   6   0.189   2.686   6.785
   45   2HB   ASN   6          1HB       ASN   6  -1.482   3.216   6.655
   46   1HD2  ASN   6          1HD2      ASN   6   0.630   0.571   7.514
   47   2HD2  ASN   6          2HD2      ASN   6  -0.540  -0.325   8.415
   48    H    CYS   7           H        CYS   7   1.673   2.465   4.992
   49    HA   CYS   7           HA       CYS   7   2.717  -0.129   5.264
   50   1HB   CYS   7          2HB       CYS   7   3.600  -0.434   2.910
   51   2HB   CYS   7          1HB       CYS   7   1.878  -0.716   3.107
   52    H    LYS   8           H        LYS   8   5.028  -0.281   4.448
   53    HA   LYS   8           HA       LYS   8   6.398   2.310   4.737
   54   1HB   LYS   8          2HB       LYS   8   7.537  -0.357   5.588
   55   2HB   LYS   8          1HB       LYS   8   8.151   1.246   5.963
   56   1HG   LYS   8          2HG       LYS   8   6.894   1.396   7.786
   57   2HG   LYS   8          1HG       LYS   8   5.441   0.910   6.912
   58   1HD   LYS   8          2HD       LYS   8   5.537  -0.929   8.198
   59   2HD   LYS   8          1HD       LYS   8   6.793  -1.450   7.074
   60   1HE   LYS   8          2HE       LYS   8   7.836  -1.745   9.109
   61   2HE   LYS   8          1HE       LYS   8   8.382  -0.131   8.658
   62   1HZ   LYS   8          1HZ       LYS   8   6.651   0.806  10.067
   63   2HZ   LYS   8          2HZ       LYS   8   7.669  -0.206  10.962
   64   3HZ   LYS   8          3HZ       LYS   8   6.133  -0.746  10.502
   65    H    THR   9           H        THR   9   6.610  -0.988   3.434
   66    HA   THR   9           HA       THR   9   8.299   0.011   1.240
   67    HB   THR   9           HB       THR   9   9.318  -2.115   1.059
   68    HG1  THR   9           1HG      THR   9   7.382  -3.138   2.865
   69   1HG2  THR   9          1HG2      THR   9   9.332  -2.598   3.851
   70   2HG2  THR   9          2HG2      THR   9   9.340  -0.853   3.588
   71   3HG2  THR   9          3HG2      THR   9  10.582  -1.862   2.847
   72    H    ASP  10           H        ASP  10   8.019  -1.790  -0.688
   73    HA   ASP  10           HA       ASP  10   5.502  -1.245  -1.803
   74   1HB   ASP  10          2HB       ASP  10   6.172  -3.025  -3.511
   75   2HB   ASP  10          1HB       ASP  10   7.250  -1.646  -3.337
   76    H    ARG  11           H        ARG  11   6.769  -4.393  -0.674
   77    HA   ARG  11           HA       ARG  11   4.262  -5.718  -0.941
   78   1HB   ARG  11          2HB       ARG  11   5.407  -7.535   0.371
   79   2HB   ARG  11          1HB       ARG  11   6.197  -7.055  -1.121
   80   1HG   ARG  11          2HG       ARG  11   7.237  -5.493   1.034
   81   2HG   ARG  11          1HG       ARG  11   7.292  -7.203   1.467
   82   1HD   ARG  11          2HD       ARG  11   8.134  -6.759  -1.269
   83   2HD   ARG  11          1HD       ARG  11   9.104  -5.828  -0.130
   84    HE   ARG  11           HE       ARG  11   9.210  -8.625  -0.549
   85   1HH1  ARG  11          1HH1      ARG  11   9.430  -6.224   1.990
   86   2HH1  ARG  11          2HH1      ARG  11  10.408  -7.216   3.016
   87   1HH2  ARG  11          1HH2      ARG  11  10.499  -9.934   0.808
   88   2HH2  ARG  11          2HH2      ARG  11  11.019  -9.324   2.343
   89    H    ASP  12           H        ASP  12   5.057  -3.424   1.284
   90    HA   ASP  12           HA       ASP  12   4.003  -4.669   3.650
   91   1HB   ASP  12          2HB       ASP  12   5.101  -2.035   2.945
   92   2HB   ASP  12          1HB       ASP  12   3.804  -1.982   4.134
   93    H    CYS  13           H        CYS  13   2.790  -2.868   0.952
   94    HA   CYS  13           HA       CYS  13   0.170  -2.544   2.182
   95   1HB   CYS  13          2HB       CYS  13   1.606  -1.051   0.330
   96   2HB   CYS  13          1HB       CYS  13   0.370  -1.847  -0.639
   97    H    VAL  14           H        VAL  14   1.403  -5.214   1.447
   98    HA   VAL  14           HA       VAL  14   0.292  -6.354  -0.805
   99    HB   VAL  14           HB       VAL  14   1.893  -7.370   0.951
  100   1HG1  VAL  14          1HG1      VAL  14   1.095  -8.486   2.768
  101   2HG1  VAL  14          2HG1      VAL  14  -0.484  -8.780   2.039
  102   3HG1  VAL  14          3HG1      VAL  14  -0.091  -7.186   2.686
  103   1HG2  VAL  14          1HG2      VAL  14   0.919  -9.722   0.341
  104   2HG2  VAL  14          2HG2      VAL  14   1.580  -8.667  -0.909
  105   3HG2  VAL  14          3HG2      VAL  14  -0.165  -8.777  -0.679
  106    H    MET  15           H        MET  15  -1.281  -5.451   2.181
  107    HA   MET  15           HA       MET  15  -3.605  -6.998   2.046
  108   1HB   MET  15          2HB       MET  15  -2.656  -4.884   3.631
  109   2HB   MET  15          1HB       MET  15  -4.166  -4.298   2.945
  110   1HG   MET  15          2HG       MET  15  -5.431  -5.852   4.040
  111   2HG   MET  15          1HG       MET  15  -4.114  -7.020   4.138
  112   1HE   MET  15          1HE       MET  15  -1.859  -5.832   6.820
  113   2HE   MET  15          2HE       MET  15  -2.159  -6.817   5.387
  114   3HE   MET  15          3HE       MET  15  -2.884  -7.263   6.931
  115    H    CYS  16           H        CYS  16  -2.569  -4.266   0.162
  116    HA   CYS  16           HA       CYS  16  -5.189  -3.707  -0.928
  117   1HB   CYS  16          2HB       CYS  16  -3.214  -2.043  -0.551
  118   2HB   CYS  16          1HB       CYS  16  -2.601  -2.676  -2.074
  119    H    GLY  17           H        GLY  17  -2.120  -5.144  -2.085
  120   1HA   GLY  17          2HA       GLY  17  -3.509  -6.954  -3.800
  121   2HA   GLY  17          1HA       GLY  17  -2.825  -5.627  -4.723
  122    H    LEU  18           H        LEU  18  -1.732  -7.533  -5.712
  123    HA   LEU  18           HA       LEU  18   0.499  -8.607  -4.203
  124   1HB   LEU  18          2HB       LEU  18   0.911  -9.889  -6.377
  125   2HB   LEU  18          1HB       LEU  18  -0.503 -10.307  -5.434
  126    HG   LEU  18           HG       LEU  18  -0.973  -8.294  -7.534
  127   1HD1  LEU  18          1HD1      LEU  18   0.719 -10.109  -8.401
  128   2HD1  LEU  18          2HD1      LEU  18  -0.644  -9.585  -9.391
  129   3HD1  LEU  18          3HD1      LEU  18  -0.738 -11.101  -8.493
  130   1HD2  LEU  18          1HD2      LEU  18  -2.360 -10.865  -6.776
  131   2HD2  LEU  18          2HD2      LEU  18  -2.976  -9.635  -7.879
  132   3HD2  LEU  18          3HD2      LEU  18  -2.764  -9.259  -6.169
  133    H    GLY  19           H        GLY  19   1.636  -6.665  -3.982
  134   1HA   GLY  19          2HA       GLY  19   3.733  -5.725  -4.670
  135   2HA   GLY  19          1HA       GLY  19   3.272  -6.010  -6.343
  136    H    ILE  20           H        ILE  20   2.662  -4.005  -3.509
  137    HA   ILE  20           HA       ILE  20   1.372  -2.001  -5.230
  138    HB   ILE  20           HB       ILE  20   1.298  -1.766  -2.272
  139   1HG1  ILE  20          2HG1      ILE  20   0.852  -4.094  -2.425
  140   2HG1  ILE  20          1HG1      ILE  20  -0.697  -3.283  -2.206
  141   1HG2  ILE  20          1HG2      ILE  20  -0.460  -1.081  -4.579
  142   2HG2  ILE  20          2HG2      ILE  20   0.142  -0.050  -3.281
  143   3HG2  ILE  20          3HG2      ILE  20  -1.147  -1.209  -2.961
  144   1HD1  ILE  20          1HD1      ILE  20  -0.201  -3.499  -4.994
  145   2HD1  ILE  20          2HD1      ILE  20  -1.475  -4.244  -4.034
  146   3HD1  ILE  20          3HD1      ILE  20   0.065  -5.072  -4.247
  147    H    SER  21           H        SER  21   1.941   0.187  -5.061
  148    HA   SER  21           HA       SER  21   4.696   0.637  -4.201
  149   1HB   SER  21          2HB       SER  21   2.894   2.614  -5.614
  150   2HB   SER  21          1HB       SER  21   4.653   2.632  -5.516
  151    HG   SER  21           HG       SER  21   3.159   1.533  -7.386
  152    H    CYS  22           H        CYS  22   5.186   1.727  -2.377
  153    HA   CYS  22           HA       CYS  22   2.949   2.761  -0.809
  154   1HB   CYS  22          2HB       CYS  22   4.793   1.104   0.041
  155   2HB   CYS  22          1HB       CYS  22   5.741   2.571   0.256
  156    H    LYS  23           H        LYS  23   2.568   4.831  -0.546
  157    HA   LYS  23           HA       LYS  23   4.525   6.809  -1.463
  158   1HB   LYS  23          2HB       LYS  23   2.567   8.394  -1.321
  159   2HB   LYS  23          1HB       LYS  23   2.403   7.115  -2.507
  160   1HG   LYS  23          2HG       LYS  23   0.385   6.798  -1.631
  161   2HG   LYS  23          1HG       LYS  23   1.227   6.005  -0.301
  162   1HD   LYS  23          2HD       LYS  23   0.918   7.744   1.119
  163   2HD   LYS  23          1HD       LYS  23   1.005   8.948  -0.166
  164   1HE   LYS  23          2HE       LYS  23  -1.333   7.082   0.129
  165   2HE   LYS  23          1HE       LYS  23  -1.252   8.627   0.973
  166   1HZ   LYS  23          1HZ       LYS  23  -0.764   9.518  -1.413
  167   2HZ   LYS  23          2HZ       LYS  23  -2.354   9.209  -0.928
  168   3HZ   LYS  23          3HZ       LYS  23  -1.535   8.093  -1.900
  169    H    ASN  24           H        ASN  24   3.275   8.888   0.208
  170    HA   ASN  24           HA       ASN  24   4.988   8.981   2.335
  171   1HB   ASN  24          2HB       ASN  24   3.165  10.586   3.346
  172   2HB   ASN  24          1HB       ASN  24   4.072  11.048   1.907
  173   1HD2  ASN  24          1HD2      ASN  24   1.005   9.966   3.156
  174   2HD2  ASN  24          2HD2      ASN  24   0.072  10.363   1.757
  175    H    GLY  25           H        GLY  25   4.612   6.611   2.883
  176   1HA   GLY  25          2HA       GLY  25   4.221   5.175   4.646
  177   2HA   GLY  25          1HA       GLY  25   3.395   6.483   5.478
  178    H    TYR  26           H        TYR  26   2.299   5.736   2.270
  179    HA   TYR  26           HA       TYR  26   0.225   3.957   3.289
  180   1HB   TYR  26          2HB       TYR  26  -0.377   6.625   2.011
  181   2HB   TYR  26          1HB       TYR  26  -1.578   5.361   2.267
  182    HD1  TYR  26           1HD      TYR  26   0.131   8.153   3.726
  183    HD2  TYR  26           2HD      TYR  26  -1.967   4.564   4.655
  184    HE1  TYR  26           1HE      TYR  26  -0.251   8.968   6.014
  185    HE2  TYR  26           2HE      TYR  26  -2.345   5.367   6.941
  186    HH   TYR  26           HH       TYR  26  -0.882   7.291   8.488
  187    H    CYS  27           H        CYS  27  -1.460   3.687   1.277
  188    HA   CYS  27           HA       CYS  27   0.144   2.385  -0.738
  189   1HB   CYS  27          2HB       CYS  27  -2.455   2.042   0.375
  190   2HB   CYS  27          1HB       CYS  27  -2.634   2.264  -1.358
  191    H    GLN  28           H        GLN  28   0.283   2.865  -2.869
  192    HA   GLN  28           HA       GLN  28  -0.552   5.536  -3.686
  193   1HB   GLN  28          2HB       GLN  28   1.476   3.563  -4.576
  194   2HB   GLN  28          1HB       GLN  28   0.771   4.567  -5.827
  195   1HG   GLN  28          2HG       GLN  28   1.365   6.551  -4.353
  196   2HG   GLN  28          1HG       GLN  28   2.351   5.418  -3.430
  197   1HE2  GLN  28          1HE2      GLN  28   4.289   4.765  -4.230
  198   2HE2  GLN  28          2HE2      GLN  28   4.962   5.338  -5.713
  199    H    GLY  29           H        GLY  29  -0.868   2.159  -4.712
  200   1HA   GLY  29          2HA       GLY  29  -3.495   2.151  -5.476
  201   2HA   GLY  29          1HA       GLY  29  -2.630   2.722  -6.899
  202    H    CYS  30           H        CYS  30  -3.562  -0.001  -5.092
  203    HA   CYS  30           HA       CYS  30  -1.538  -1.778  -6.102
  204   1HB   CYS  30          2HB       CYS  30  -2.954  -3.541  -4.988
  205   2HB   CYS  30          1HB       CYS  30  -2.399  -2.254  -3.929
  206    H    THR  31           H        THR  31  -4.153  -3.703  -6.333
  207    HA   THR  31           HA       THR  31  -4.723  -3.057  -9.137
  208    HB   THR  31           HB       THR  31  -3.142  -4.760  -9.432
  209    HG1  THR  31           1HG      THR  31  -4.314  -6.241 -10.411
  210   1HG2  THR  31          1HG2      THR  31  -3.761  -7.013  -8.017
  211   2HG2  THR  31          2HG2      THR  31  -4.043  -5.735  -6.837
  212   3HG2  THR  31          3HG2      THR  31  -2.472  -5.876  -7.623
  Start of MODEL   19
    1   1H    THR   1          1HT       THR   1  -9.233   1.106  -4.235
    2   2H    THR   1          2HT       THR   1  -8.155   0.360  -3.129
    3   3H    THR   1          3HT       THR   1  -7.577   1.547  -4.226
    4    HA   THR   1           HA       THR   1  -8.799   3.231  -3.170
    5    HB   THR   1           HB       THR   1 -10.038   2.530  -1.014
    6    HG1  THR   1           1HG      THR   1 -10.616   0.434  -0.837
    7   1HG2  THR   1          1HG2      THR   1 -11.153   3.199  -3.171
    8   2HG2  THR   1          2HG2      THR   1 -12.087   2.153  -2.104
    9   3HG2  THR   1          3HG2      THR   1 -11.293   1.478  -3.528
   10    HA   PRO   2           HA       PRO   2  -4.978   2.459  -0.675
   11   1HB   PRO   2          2HB       PRO   2  -3.515   4.491  -1.636
   12   2HB   PRO   2          1HB       PRO   2  -3.690   2.978  -2.533
   13   1HG   PRO   2          2HG       PRO   2  -5.101   5.588  -2.923
   14   2HG   PRO   2          1HG       PRO   2  -4.428   4.489  -4.139
   15   1HD   PRO   2          2HD       PRO   2  -7.086   4.592  -3.466
   16   2HD   PRO   2          1HD       PRO   2  -6.284   3.155  -4.133
   17    H    TYR   3           H        TYR   3  -7.232   3.569   0.444
   18    HA   TYR   3           HA       TYR   3  -6.345   6.114   1.590
   19   1HB   TYR   3          2HB       TYR   3  -8.948   4.939   1.003
   20   2HB   TYR   3          1HB       TYR   3  -8.850   5.539   2.654
   21    HD1  TYR   3           1HD      TYR   3 -10.228   6.468  -0.185
   22    HD2  TYR   3           2HD      TYR   3  -7.173   7.920   2.398
   23    HE1  TYR   3           1HE      TYR   3 -10.632   8.753  -0.998
   24    HE2  TYR   3           2HE      TYR   3  -7.570  10.207   1.592
   25    HH   TYR   3           HH       TYR   3  -9.555  11.473   0.536
   26    HA   PRO   4           HA       PRO   4  -6.732   3.377   5.419
   27   1HB   PRO   4          2HB       PRO   4  -8.213   1.170   5.466
   28   2HB   PRO   4          1HB       PRO   4  -8.971   2.765   5.410
   29   1HG   PRO   4          2HG       PRO   4  -8.668   0.738   3.260
   30   2HG   PRO   4          1HG       PRO   4  -9.960   1.920   3.518
   31   1HD   PRO   4          2HD       PRO   4  -7.735   2.146   1.760
   32   2HD   PRO   4          1HD       PRO   4  -8.944   3.389   2.129
   33    H    VAL   5           H        VAL   5  -5.363   2.247   2.634
   34    HA   VAL   5           HA       VAL   5  -4.288  -0.192   3.864
   35    HB   VAL   5           HB       VAL   5  -3.181   0.123   1.277
   36   1HG1  VAL   5          1HG1      VAL   5  -5.476  -1.701   1.706
   37   2HG1  VAL   5          2HG1      VAL   5  -4.070  -1.894   2.754
   38   3HG1  VAL   5          3HG1      VAL   5  -3.889  -2.014   1.004
   39   1HG2  VAL   5          1HG2      VAL   5  -6.185   0.385   1.168
   40   2HG2  VAL   5          2HG2      VAL   5  -5.053   0.349  -0.185
   41   3HG2  VAL   5          3HG2      VAL   5  -5.080   1.734   0.905
   42    H    ASN   6           H        ASN   6  -2.801   0.523   5.286
   43    HA   ASN   6           HA       ASN   6  -0.818   2.497   4.492
   44   1HB   ASN   6          2HB       ASN   6  -0.807   1.047   7.125
   45   2HB   ASN   6          1HB       ASN   6  -0.221   2.663   6.754
   46   1HD2  ASN   6          1HD2      ASN   6  -1.768   2.295   8.932
   47   2HD2  ASN   6          2HD2      ASN   6  -3.334   2.984   8.687
   48    H    CYS   7           H        CYS   7   1.503   2.075   5.036
   49    HA   CYS   7           HA       CYS   7   2.571  -0.503   5.322
   50   1HB   CYS   7          2HB       CYS   7   3.483  -0.823   2.988
   51   2HB   CYS   7          1HB       CYS   7   1.758  -1.109   3.155
   52    H    LYS   8           H        LYS   8   4.902  -0.632   4.650
   53    HA   LYS   8           HA       LYS   8   6.195   2.003   4.907
   54   1HB   LYS   8          2HB       LYS   8   7.351  -0.653   5.786
   55   2HB   LYS   8          1HB       LYS   8   8.017   0.945   6.087
   56   1HG   LYS   8          2HG       LYS   8   5.301   0.288   7.126
   57   2HG   LYS   8          1HG       LYS   8   6.725  -0.342   7.955
   58   1HD   LYS   8          2HD       LYS   8   7.590   1.906   8.244
   59   2HD   LYS   8          1HD       LYS   8   6.237   2.570   7.325
   60   1HE   LYS   8          2HE       LYS   8   4.870   2.513   9.094
   61   2HE   LYS   8          1HE       LYS   8   5.380   0.887   9.541
   62   1HZ   LYS   8          1HZ       LYS   8   6.984   1.669  10.931
   63   2HZ   LYS   8          2HZ       LYS   8   5.881   2.943  11.067
   64   3HZ   LYS   8          3HZ       LYS   8   7.231   3.099  10.061
   65    H    THR   9           H        THR   9   6.445  -1.256   3.527
   66    HA   THR   9           HA       THR   9   8.158  -0.184   1.384
   67    HB   THR   9           HB       THR   9   9.054  -2.450   1.104
   68    HG1  THR   9           1HG      THR   9   7.310  -3.677   1.813
   69   1HG2  THR   9          1HG2      THR   9  10.074  -0.891   2.809
   70   2HG2  THR   9          2HG2      THR   9  10.421  -2.609   3.003
   71   3HG2  THR   9          3HG2      THR   9   9.220  -1.830   4.033
   72    H    ASP  10           H        ASP  10   7.978  -1.940  -0.568
   73    HA   ASP  10           HA       ASP  10   5.511  -1.473  -1.779
   74   1HB   ASP  10          2HB       ASP  10   7.721  -2.080  -2.894
   75   2HB   ASP  10          1HB       ASP  10   7.337  -3.758  -2.519
   76    H    ARG  11           H        ARG  11   6.745  -4.663  -0.722
   77    HA   ARG  11           HA       ARG  11   4.232  -5.950  -1.005
   78   1HB   ARG  11          2HB       ARG  11   5.331  -7.825   0.225
   79   2HB   ARG  11          1HB       ARG  11   6.186  -7.273  -1.206
   80   1HG   ARG  11          2HG       ARG  11   7.288  -5.782   0.855
   81   2HG   ARG  11          1HG       ARG  11   7.054  -7.387   1.552
   82   1HD   ARG  11          2HD       ARG  11   9.123  -7.658   0.611
   83   2HD   ARG  11          1HD       ARG  11   8.098  -8.171  -0.729
   84    HE   ARG  11           HE       ARG  11   8.763  -5.366  -0.751
   85   1HH1  ARG  11          1HH1      ARG  11   9.772  -8.562  -1.764
   86   2HH1  ARG  11          2HH1      ARG  11  10.730  -7.977  -3.080
   87   1HH2  ARG  11          1HH2      ARG  11  10.023  -4.599  -2.487
   88   2HH2  ARG  11          2HH2      ARG  11  10.874  -5.725  -3.491
   89    H    ASP  12           H        ASP  12   5.011  -3.737   1.309
   90    HA   ASP  12           HA       ASP  12   3.945  -5.070   3.612
   91   1HB   ASP  12          2HB       ASP  12   4.992  -2.374   3.009
   92   2HB   ASP  12          1HB       ASP  12   3.767  -2.447   4.269
   93    H    CYS  13           H        CYS  13   2.707  -3.169   0.991
   94    HA   CYS  13           HA       CYS  13   0.106  -2.891   2.268
   95   1HB   CYS  13          2HB       CYS  13   1.467  -1.292   0.496
   96   2HB   CYS  13          1HB       CYS  13   0.342  -2.134  -0.558
   97    H    VAL  14           H        VAL  14   1.331  -5.532   1.485
   98    HA   VAL  14           HA       VAL  14   0.263  -6.663  -0.769
   99    HB   VAL  14           HB       VAL  14   1.786  -7.675   1.087
  100   1HG1  VAL  14          1HG1      VAL  14  -0.301  -7.565   2.685
  101   2HG1  VAL  14          2HG1      VAL  14   0.867  -8.881   2.793
  102   3HG1  VAL  14          3HG1      VAL  14  -0.662  -9.127   1.949
  103   1HG2  VAL  14          1HG2      VAL  14  -0.147  -9.106  -0.685
  104   2HG2  VAL  14          2HG2      VAL  14   0.968 -10.013   0.336
  105   3HG2  VAL  14          3HG2      VAL  14   1.593  -8.886  -0.868
  106    H    MET  15           H        MET  15  -1.430  -5.697   2.120
  107    HA   MET  15           HA       MET  15  -3.724  -7.250   2.024
  108   1HB   MET  15          2HB       MET  15  -3.041  -4.562   3.051
  109   2HB   MET  15          1HB       MET  15  -4.751  -4.839   2.751
  110   1HG   MET  15          2HG       MET  15  -4.789  -6.692   4.251
  111   2HG   MET  15          1HG       MET  15  -3.034  -6.656   4.421
  112   1HE   MET  15          1HE       MET  15  -2.291  -5.344   7.199
  113   2HE   MET  15          2HE       MET  15  -2.089  -3.809   6.354
  114   3HE   MET  15          3HE       MET  15  -1.737  -5.324   5.525
  115    H    CYS  16           H        CYS  16  -2.706  -4.635  -0.068
  116    HA   CYS  16           HA       CYS  16  -5.293  -4.372  -1.340
  117   1HB   CYS  16          2HB       CYS  16  -2.722  -2.955  -1.411
  118   2HB   CYS  16          1HB       CYS  16  -3.486  -3.099  -2.992
  119    H    GLY  17           H        GLY  17  -2.075  -5.656  -2.231
  120   1HA   GLY  17          2HA       GLY  17  -3.208  -7.728  -3.816
  121   2HA   GLY  17          1HA       GLY  17  -2.637  -6.424  -4.841
  122    H    LEU  18           H        LEU  18  -1.275  -8.197  -5.669
  123    HA   LEU  18           HA       LEU  18   0.971  -8.965  -4.000
  124   1HB   LEU  18          2HB       LEU  18   1.633 -10.280  -6.088
  125   2HB   LEU  18          1HB       LEU  18   0.227 -10.812  -5.191
  126    HG   LEU  18           HG       LEU  18  -0.365  -8.958  -7.402
  127   1HD1  LEU  18          1HD1      LEU  18   1.576 -10.644  -8.071
  128   2HD1  LEU  18          2HD1      LEU  18   0.270 -10.220  -9.177
  129   3HD1  LEU  18          3HD1      LEU  18   0.203 -11.732  -8.272
  130   1HD2  LEU  18          1HD2      LEU  18  -1.462 -11.619  -6.499
  131   2HD2  LEU  18          2HD2      LEU  18  -2.130 -10.646  -7.809
  132   3HD2  LEU  18          3HD2      LEU  18  -2.137 -10.026  -6.159
  133    H    GLY  19           H        GLY  19   1.868  -6.883  -3.825
  134   1HA   GLY  19          2HA       GLY  19   3.938  -5.822  -4.480
  135   2HA   GLY  19          1HA       GLY  19   3.521  -6.145  -6.156
  136    H    ILE  20           H        ILE  20   2.698  -4.202  -3.327
  137    HA   ILE  20           HA       ILE  20   1.332  -2.280  -5.085
  138    HB   ILE  20           HB       ILE  20   1.070  -2.101  -2.143
  139   1HG1  ILE  20          2HG1      ILE  20   0.839  -4.477  -2.371
  140   2HG1  ILE  20          1HG1      ILE  20  -0.771  -3.791  -2.162
  141   1HG2  ILE  20          1HG2      ILE  20  -0.212  -0.496  -3.148
  142   2HG2  ILE  20          2HG2      ILE  20  -1.395  -1.799  -3.023
  143   3HG2  ILE  20          3HG2      ILE  20  -0.567  -1.504  -4.552
  144   1HD1  ILE  20          1HD1      ILE  20   0.100  -5.501  -4.185
  145   2HD1  ILE  20          2HD1      ILE  20  -0.133  -3.930  -4.947
  146   3HD1  ILE  20          3HD1      ILE  20  -1.456  -4.683  -4.063
  147    H    SER  21           H        SER  21   2.338  -0.392  -5.451
  148    HA   SER  21           HA       SER  21   4.778   0.317  -4.223
  149   1HB   SER  21          2HB       SER  21   3.920   2.704  -5.177
  150   2HB   SER  21          1HB       SER  21   4.639   1.462  -6.199
  151    HG   SER  21           HG       SER  21   2.657   2.245  -7.043
  152    H    CYS  22           H        CYS  22   5.230   1.617  -2.462
  153    HA   CYS  22           HA       CYS  22   2.889   2.395  -0.858
  154   1HB   CYS  22          2HB       CYS  22   4.598   0.663  -0.003
  155   2HB   CYS  22          1HB       CYS  22   5.661   2.042   0.248
  156    H    LYS  23           H        LYS  23   2.531   4.436  -0.336
  157    HA   LYS  23           HA       LYS  23   4.457   6.485  -1.159
  158   1HB   LYS  23          2HB       LYS  23   2.639   8.027  -1.115
  159   2HB   LYS  23          1HB       LYS  23   2.037   6.572  -1.893
  160   1HG   LYS  23          2HG       LYS  23   1.161   5.930   0.435
  161   2HG   LYS  23          1HG       LYS  23   1.431   7.624   0.843
  162   1HD   LYS  23          2HD       LYS  23   0.105   7.670  -1.608
  163   2HD   LYS  23          1HD       LYS  23  -0.702   6.412  -0.674
  164   1HE   LYS  23          2HE       LYS  23  -1.751   8.600  -0.344
  165   2HE   LYS  23          1HE       LYS  23  -1.066   7.972   1.154
  166   1HZ   LYS  23          1HZ       LYS  23  -0.662  10.439   0.365
  167   2HZ   LYS  23          2HZ       LYS  23   0.621   9.724  -0.471
  168   3HZ   LYS  23          3HZ       LYS  23   0.521   9.576   1.211
  169    H    ASN  24           H        ASN  24   3.418   8.472   0.656
  170    HA   ASN  24           HA       ASN  24   5.170   8.271   2.776
  171   1HB   ASN  24          2HB       ASN  24   2.885  10.046   2.107
  172   2HB   ASN  24          1HB       ASN  24   3.435  10.055   3.778
  173   1HD2  ASN  24          1HD2      ASN  24   3.708  12.364   2.768
  174   2HD2  ASN  24          2HD2      ASN  24   5.312  12.713   2.227
  175    H    GLY  25           H        GLY  25   4.487   5.966   3.230
  176   1HA   GLY  25          2HA       GLY  25   3.905   4.567   4.970
  177   2HA   GLY  25          1HA       GLY  25   3.100   5.917   5.753
  178    H    TYR  26           H        TYR  26   2.230   5.222   2.448
  179    HA   TYR  26           HA       TYR  26  -0.045   3.602   3.305
  180   1HB   TYR  26          2HB       TYR  26  -0.357   6.274   1.932
  181   2HB   TYR  26          1HB       TYR  26  -1.651   5.088   2.092
  182    HD1  TYR  26           1HD      TYR  26  -0.356   7.987   3.470
  183    HD2  TYR  26           2HD      TYR  26  -1.907   4.200   4.626
  184    HE1  TYR  26           1HE      TYR  26  -0.911   8.898   5.684
  185    HE2  TYR  26           2HE      TYR  26  -2.459   5.093   6.841
  186    HH   TYR  26           HH       TYR  26  -1.652   7.010   8.323
  187    H    CYS  27           H        CYS  27  -1.536   3.245   1.254
  188    HA   CYS  27           HA       CYS  27   0.124   1.875  -0.648
  189   1HB   CYS  27          2HB       CYS  27  -2.581   1.726   0.263
  190   2HB   CYS  27          1HB       CYS  27  -2.597   1.906  -1.482
  191    H    GLN  28           H        GLN  28   0.358   2.290  -2.825
  192    HA   GLN  28           HA       GLN  28  -0.161   5.036  -3.639
  193   1HB   GLN  28          2HB       GLN  28   1.695   2.893  -4.471
  194   2HB   GLN  28          1HB       GLN  28   1.119   3.935  -5.756
  195   1HG   GLN  28          2HG       GLN  28   1.804   5.853  -4.132
  196   2HG   GLN  28          1HG       GLN  28   2.802   4.602  -3.392
  197   1HE2  GLN  28          1HE2      GLN  28   4.818   4.701  -4.076
  198   2HE2  GLN  28          2HE2      GLN  28   5.333   5.084  -5.679
  199    H    GLY  29           H        GLY  29  -0.981   1.722  -4.636
  200   1HA   GLY  29          2HA       GLY  29  -3.413   2.632  -5.848
  201   2HA   GLY  29          1HA       GLY  29  -2.215   2.151  -7.037
  202    H    CYS  30           H        CYS  30  -4.417   1.100  -4.616
  203    HA   CYS  30           HA       CYS  30  -3.925  -1.463  -4.033
  204   1HB   CYS  30          2HB       CYS  30  -6.092   0.165  -3.793
  205   2HB   CYS  30          1HB       CYS  30  -6.701  -1.029  -4.932
  206    H    THR  31           H        THR  31  -2.810  -2.533  -5.600
  207    HA   THR  31           HA       THR  31  -4.110  -3.104  -8.154
  208    HB   THR  31           HB       THR  31  -1.628  -2.453  -7.862
  209    HG1  THR  31           1HG      THR  31  -2.053  -3.094  -9.848
  210   1HG2  THR  31          1HG2      THR  31  -1.534  -4.689  -6.243
  211   2HG2  THR  31          2HG2      THR  31  -0.162  -3.805  -6.908
  212   3HG2  THR  31          3HG2      THR  31  -0.796  -5.214  -7.756
  Start of MODEL   20
    1   1H    THR   1          1HT       THR   1  -9.763  -0.147  -3.456
    2   2H    THR   1          2HT       THR   1  -9.610  -0.032  -1.749
    3   3H    THR   1          3HT       THR   1  -8.293  -0.593  -2.696
    4    HA   THR   1           HA       THR   1  -8.286   1.583  -3.820
    5    HB   THR   1           HB       THR   1 -10.070   2.293  -1.475
    6    HG1  THR   1           1HG      THR   1 -11.551   1.630  -2.809
    7   1HG2  THR   1          1HG2      THR   1  -9.173   4.014  -3.775
    8   2HG2  THR   1          2HG2      THR   1  -8.573   4.125  -2.121
    9   3HG2  THR   1          3HG2      THR   1 -10.264   4.482  -2.470
   10    HA   PRO   2           HA       PRO   2  -4.924   1.912  -0.902
   11   1HB   PRO   2          2HB       PRO   2  -3.455   3.748  -2.174
   12   2HB   PRO   2          1HB       PRO   2  -3.691   2.137  -2.861
   13   1HG   PRO   2          2HG       PRO   2  -5.036   4.715  -3.562
   14   2HG   PRO   2          1HG       PRO   2  -4.449   3.430  -4.633
   15   1HD   PRO   2          2HD       PRO   2  -7.079   3.751  -3.842
   16   2HD   PRO   2          1HD       PRO   2  -6.376   2.229  -4.425
   17    H    TYR   3           H        TYR   3  -7.272   3.323  -0.121
   18    HA   TYR   3           HA       TYR   3  -6.279   5.937   0.730
   19   1HB   TYR   3          2HB       TYR   3  -8.829   4.968  -0.030
   20   2HB   TYR   3          1HB       TYR   3  -8.928   5.359   1.682
   21    HD1  TYR   3           1HD      TYR   3  -7.256   6.931  -1.285
   22    HD2  TYR   3           2HD      TYR   3  -9.851   7.438   2.050
   23    HE1  TYR   3           1HE      TYR   3  -7.497   9.313  -1.841
   24    HE2  TYR   3           2HE      TYR   3 -10.100   9.821   1.501
   25    HH   TYR   3           HH       TYR   3  -9.174  11.142  -1.442
   26    HA   PRO   4           HA       PRO   4  -6.992   3.809   4.888
   27   1HB   PRO   4          2HB       PRO   4  -8.532   1.657   5.158
   28   2HB   PRO   4          1HB       PRO   4  -9.242   3.243   4.831
   29   1HG   PRO   4          2HG       PRO   4  -8.857   0.929   3.006
   30   2HG   PRO   4          1HG       PRO   4 -10.146   2.141   3.027
   31   1HD   PRO   4          2HD       PRO   4  -7.844   2.111   1.369
   32   2HD   PRO   4          1HD       PRO   4  -9.032   3.419   1.526
   33    H    VAL   5           H        VAL   5  -5.495   2.281   2.379
   34    HA   VAL   5           HA       VAL   5  -4.599  -0.025   3.952
   35    HB   VAL   5           HB       VAL   5  -3.278   0.218   1.381
   36   1HG1  VAL   5          1HG1      VAL   5  -3.512  -2.014   1.393
   37   2HG1  VAL   5          2HG1      VAL   5  -5.216  -1.941   1.840
   38   3HG1  VAL   5          3HG1      VAL   5  -3.971  -1.771   3.077
   39   1HG2  VAL   5          1HG2      VAL   5  -6.293   0.055   1.291
   40   2HG2  VAL   5          2HG2      VAL   5  -5.192  -0.105  -0.075
   41   3HG2  VAL   5          3HG2      VAL   5  -5.341   1.441   0.763
   42    H    ASN   6           H        ASN   6  -3.147   0.595   5.411
   43    HA   ASN   6           HA       ASN   6  -1.107   2.556   4.750
   44   1HB   ASN   6          2HB       ASN   6  -0.416   2.224   7.159
   45   2HB   ASN   6          1HB       ASN   6  -2.042   2.844   6.917
   46   1HD2  ASN   6          1HD2      ASN   6  -2.357   2.104   9.124
   47   2HD2  ASN   6          2HD2      ASN   6  -2.766   0.450   9.407
   48    H    CYS   7           H        CYS   7   1.176   2.123   5.405
   49    HA   CYS   7           HA       CYS   7   2.211  -0.480   5.662
   50   1HB   CYS   7          2HB       CYS   7   3.268  -0.684   3.373
   51   2HB   CYS   7          1HB       CYS   7   1.537  -0.977   3.427
   52    H    LYS   8           H        LYS   8   4.578  -0.592   5.203
   53    HA   LYS   8           HA       LYS   8   5.863   2.009   5.680
   54   1HB   LYS   8          2HB       LYS   8   6.217   0.746   7.632
   55   2HB   LYS   8          1HB       LYS   8   6.420  -0.753   6.739
   56   1HG   LYS   8          2HG       LYS   8   8.617  -0.476   6.606
   57   2HG   LYS   8          1HG       LYS   8   8.443   1.184   6.036
   58   1HD   LYS   8          2HD       LYS   8   7.814   0.836   8.874
   59   2HD   LYS   8          1HD       LYS   8   9.481   0.432   8.461
   60   1HE   LYS   8          2HE       LYS   8   9.643   2.641   7.301
   61   2HE   LYS   8          1HE       LYS   8   8.048   3.034   7.942
   62   1HZ   LYS   8          1HZ       LYS   8   8.859   3.346  10.010
   63   2HZ   LYS   8          2HZ       LYS   8  10.302   3.656   9.185
   64   3HZ   LYS   8          3HZ       LYS   8  10.033   2.136   9.876
   65    H    THR   9           H        THR   9   6.241  -1.189   4.181
   66    HA   THR   9           HA       THR   9   8.070  -0.004   2.201
   67    HB   THR   9           HB       THR   9   8.872  -2.369   1.830
   68    HG1  THR   9           1HG      THR   9   7.541  -2.886   4.282
   69   1HG2  THR   9          1HG2      THR   9  10.540  -1.563   3.045
   70   2HG2  THR   9          2HG2      THR   9   9.803  -2.403   4.410
   71   3HG2  THR   9          3HG2      THR   9   9.451  -0.697   4.128
   72    H    ASP  10           H        ASP  10   8.010  -1.710   0.157
   73    HA   ASP  10           HA       ASP  10   5.600  -1.163  -1.155
   74   1HB   ASP  10          2HB       ASP  10   7.581  -3.324  -1.893
   75   2HB   ASP  10          1HB       ASP  10   6.418  -2.549  -2.964
   76    H    ARG  11           H        ARG  11   6.797  -4.402  -0.209
   77    HA   ARG  11           HA       ARG  11   4.282  -5.646  -0.693
   78   1HB   ARG  11          2HB       ARG  11   6.884  -6.518   0.495
   79   2HB   ARG  11          1HB       ARG  11   5.467  -7.543   0.683
   80   1HG   ARG  11          2HG       ARG  11   6.571  -8.339  -1.225
   81   2HG   ARG  11          1HG       ARG  11   5.204  -7.405  -1.834
   82   1HD   ARG  11          2HD       ARG  11   6.776  -5.458  -2.072
   83   2HD   ARG  11          1HD       ARG  11   8.096  -6.566  -1.705
   84    HE   ARG  11           HE       ARG  11   6.773  -7.758  -3.769
   85   1HH1  ARG  11          1HH1      ARG  11   8.233  -4.610  -3.299
   86   2HH1  ARG  11          2HH1      ARG  11   8.614  -4.400  -4.973
   87   1HH2  ARG  11          1HH2      ARG  11   7.281  -7.477  -5.974
   88   2HH2  ARG  11          2HH2      ARG  11   8.074  -6.028  -6.492
   89    H    ASP  12           H        ASP  12   4.903  -3.533   1.717
   90    HA   ASP  12           HA       ASP  12   3.803  -4.992   3.943
   91   1HB   ASP  12          2HB       ASP  12   4.913  -2.320   3.495
   92   2HB   ASP  12          1HB       ASP  12   3.513  -2.314   4.562
   93    H    CYS  13           H        CYS  13   2.676  -3.023   1.330
   94    HA   CYS  13           HA       CYS  13  -0.007  -2.824   2.436
   95   1HB   CYS  13          2HB       CYS  13   1.461  -1.179   0.783
   96   2HB   CYS  13          1HB       CYS  13   0.394  -1.999  -0.349
   97    H    VAL  14           H        VAL  14   1.345  -5.427   1.612
   98    HA   VAL  14           HA       VAL  14   0.373  -6.467  -0.740
   99    HB   VAL  14           HB       VAL  14   1.885  -7.543   1.085
  100   1HG1  VAL  14          1HG1      VAL  14   0.136  -7.571   2.831
  101   2HG1  VAL  14          2HG1      VAL  14   0.816  -9.165   2.510
  102   3HG1  VAL  14          3HG1      VAL  14  -0.770  -8.738   1.867
  103   1HG2  VAL  14          1HG2      VAL  14   1.751  -8.674  -0.919
  104   2HG2  VAL  14          2HG2      VAL  14   0.007  -8.912  -0.791
  105   3HG2  VAL  14          3HG2      VAL  14   1.103  -9.861   0.213
  106    H    MET  15           H        MET  15  -1.385  -5.761   2.196
  107    HA   MET  15           HA       MET  15  -3.651  -7.355   1.870
  108   1HB   MET  15          2HB       MET  15  -3.078  -4.761   3.220
  109   2HB   MET  15          1HB       MET  15  -4.765  -5.179   2.960
  110   1HG   MET  15          2HG       MET  15  -4.698  -6.950   4.405
  111   2HG   MET  15          1HG       MET  15  -2.970  -7.211   4.179
  112   1HE   MET  15          1HE       MET  15  -4.264  -6.989   7.493
  113   2HE   MET  15          2HE       MET  15  -2.557  -6.630   7.754
  114   3HE   MET  15          3HE       MET  15  -3.036  -7.784   6.509
  115    H    CYS  16           H        CYS  16  -2.600  -4.526   0.136
  116    HA   CYS  16           HA       CYS  16  -5.172  -4.033  -1.094
  117   1HB   CYS  16          2HB       CYS  16  -3.290  -2.309  -0.546
  118   2HB   CYS  16          1HB       CYS  16  -2.564  -2.867  -2.049
  119    H    GLY  17           H        GLY  17  -1.998  -5.349  -2.081
  120   1HA   GLY  17          2HA       GLY  17  -3.212  -7.130  -3.950
  121   2HA   GLY  17          1HA       GLY  17  -2.487  -5.762  -4.776
  122    H    LEU  18           H        LEU  18  -1.280  -7.647  -5.724
  123    HA   LEU  18           HA       LEU  18   0.849  -8.704  -4.060
  124   1HB   LEU  18          2HB       LEU  18   0.298  -9.245  -6.976
  125   2HB   LEU  18          1HB       LEU  18   1.386 -10.136  -5.931
  126    HG   LEU  18           HG       LEU  18  -0.915 -10.454  -4.558
  127   1HD1  LEU  18          1HD1      LEU  18  -1.654  -9.921  -7.400
  128   2HD1  LEU  18          2HD1      LEU  18  -2.478  -9.447  -5.914
  129   3HD1  LEU  18          3HD1      LEU  18  -2.555 -11.119  -6.470
  130   1HD2  LEU  18          1HD2      LEU  18  -0.332 -12.233  -6.897
  131   2HD2  LEU  18          2HD2      LEU  18  -0.871 -12.667  -5.275
  132   3HD2  LEU  18          3HD2      LEU  18   0.785 -12.122  -5.536
  133    H    GLY  19           H        GLY  19   1.904  -6.707  -3.726
  134   1HA   GLY  19          2HA       GLY  19   4.036  -5.724  -4.239
  135   2HA   GLY  19          1HA       GLY  19   3.706  -5.990  -5.946
  136    H    ILE  20           H        ILE  20   2.828  -4.057  -3.134
  137    HA   ILE  20           HA       ILE  20   1.634  -2.043  -4.914
  138    HB   ILE  20           HB       ILE  20   1.315  -1.878  -1.969
  139   1HG1  ILE  20          2HG1      ILE  20   0.939  -4.212  -2.208
  140   2HG1  ILE  20          1HG1      ILE  20  -0.641  -3.442  -2.093
  141   1HG2  ILE  20          1HG2      ILE  20   0.208  -0.166  -3.044
  142   2HG2  ILE  20          2HG2      ILE  20  -1.076  -1.353  -2.827
  143   3HG2  ILE  20          3HG2      ILE  20  -0.281  -1.191  -4.393
  144   1HD1  ILE  20          1HD1      ILE  20   0.329  -5.162  -4.110
  145   2HD1  ILE  20          2HD1      ILE  20   0.070  -3.578  -4.838
  146   3HD1  ILE  20          3HD1      ILE  20  -1.248  -4.385  -3.995
  147    H    SER  21           H        SER  21   2.180   0.131  -4.718
  148    HA   SER  21           HA       SER  21   4.828   0.637  -3.622
  149   1HB   SER  21          2HB       SER  21   2.950   2.329  -5.292
  150   2HB   SER  21          1HB       SER  21   4.497   2.913  -4.681
  151    HG   SER  21           HG       SER  21   3.953   1.112  -6.716
  152    H    CYS  22           H        CYS  22   5.217   1.886  -1.815
  153    HA   CYS  22           HA       CYS  22   2.819   2.633  -0.295
  154   1HB   CYS  22          2HB       CYS  22   4.623   0.977   0.572
  155   2HB   CYS  22          1HB       CYS  22   5.558   2.430   0.907
  156    H    LYS  23           H        LYS  23   2.366   4.625   0.248
  157    HA   LYS  23           HA       LYS  23   4.156   6.805  -0.544
  158   1HB   LYS  23          2HB       LYS  23   1.261   6.419  -0.258
  159   2HB   LYS  23          1HB       LYS  23   1.815   7.926   0.443
  160   1HG   LYS  23          2HG       LYS  23   2.206   8.857  -1.553
  161   2HG   LYS  23          1HG       LYS  23   2.869   7.368  -2.232
  162   1HD   LYS  23          2HD       LYS  23   0.911   7.654  -3.447
  163   2HD   LYS  23          1HD       LYS  23   0.422   6.533  -2.173
  164   1HE   LYS  23          2HE       LYS  23  -1.299   8.063  -2.122
  165   2HE   LYS  23          1HE       LYS  23  -0.219   8.713  -0.891
  166   1HZ   LYS  23          1HZ       LYS  23   0.165   9.658  -3.628
  167   2HZ   LYS  23          2HZ       LYS  23   0.311  10.492  -2.164
  168   3HZ   LYS  23          3HZ       LYS  23  -1.219  10.197  -2.819
  169    H    ASN  24           H        ASN  24   3.113   8.698   1.331
  170    HA   ASN  24           HA       ASN  24   4.847   8.439   3.468
  171   1HB   ASN  24          2HB       ASN  24   3.647  10.546   2.538
  172   2HB   ASN  24          1HB       ASN  24   2.351  10.106   3.646
  173   1HD2  ASN  24          1HD2      ASN  24   5.782  10.900   3.462
  174   2HD2  ASN  24          2HD2      ASN  24   5.907  11.521   5.070
  175    H    GLY  25           H        GLY  25   4.153   6.132   3.857
  176   1HA   GLY  25          2HA       GLY  25   3.509   4.704   5.563
  177   2HA   GLY  25          1HA       GLY  25   2.640   6.031   6.312
  178    H    TYR  26           H        TYR  26   1.938   5.426   2.960
  179    HA   TYR  26           HA       TYR  26  -0.349   3.746   3.660
  180   1HB   TYR  26          2HB       TYR  26  -0.580   6.477   2.401
  181   2HB   TYR  26          1HB       TYR  26  -1.868   5.274   2.321
  182    HD1  TYR  26           1HD      TYR  26  -2.269   4.139   4.775
  183    HD2  TYR  26           2HD      TYR  26  -0.880   8.088   4.027
  184    HE1  TYR  26           1HE      TYR  26  -3.062   4.824   6.991
  185    HE2  TYR  26           2HE      TYR  26  -1.679   8.793   6.244
  186    HH   TYR  26           HH       TYR  26  -3.788   6.988   8.107
  187    H    CYS  27           H        CYS  27  -1.740   3.503   1.474
  188    HA   CYS  27           HA       CYS  27   0.076   2.180  -0.353
  189   1HB   CYS  27          2HB       CYS  27  -2.587   1.778   0.525
  190   2HB   CYS  27          1HB       CYS  27  -2.655   2.047  -1.209
  191    H    GLN  28           H        GLN  28   0.359   2.599  -2.493
  192    HA   GLN  28           HA       GLN  28  -0.368   5.271  -3.412
  193   1HB   GLN  28          2HB       GLN  28   1.738   3.312  -4.040
  194   2HB   GLN  28          1HB       GLN  28   1.093   4.149  -5.440
  195   1HG   GLN  28          2HG       GLN  28   1.675   6.273  -4.528
  196   2HG   GLN  28          1HG       GLN  28   2.129   5.542  -2.989
  197   1HE2  GLN  28          1HE2      GLN  28   4.226   5.311  -2.703
  198   2HE2  GLN  28          2HE2      GLN  28   5.409   5.104  -3.943
  199    H    GLY  29           H        GLY  29  -0.569   1.903  -4.539
  200   1HA   GLY  29          2HA       GLY  29  -3.163   1.933  -5.471
  201   2HA   GLY  29          1HA       GLY  29  -2.175   2.488  -6.818
  202    H    CYS  30           H        CYS  30  -3.284  -0.211  -5.066
  203    HA   CYS  30           HA       CYS  30  -1.238  -2.034  -5.929
  204   1HB   CYS  30          2HB       CYS  30  -2.759  -3.762  -4.917
  205   2HB   CYS  30          1HB       CYS  30  -2.276  -2.475  -3.823
  206    H    THR  31           H        THR  31  -3.873  -3.899  -6.343
  207    HA   THR  31           HA       THR  31  -4.267  -3.241  -9.169
  208    HB   THR  31           HB       THR  31  -2.621  -4.895  -9.385
  209    HG1  THR  31           1HG      THR  31  -5.044  -6.372  -9.401
  210   1HG2  THR  31          1HG2      THR  31  -3.754  -6.031  -6.922
  211   2HG2  THR  31          2HG2      THR  31  -2.085  -5.960  -7.485
  212   3HG2  THR  31          3HG2      THR  31  -3.175  -7.195  -8.112
  Start of MODEL   21
    1   1H    THR   1          1HT       THR   1 -10.107   1.720  -1.881
    2   2H    THR   1          2HT       THR   1  -8.862   0.613  -2.294
    3   3H    THR   1          3HT       THR   1  -9.892   1.241  -3.514
    4    HA   THR   1           HA       THR   1  -7.961   2.414  -3.753
    5    HB   THR   1           HB       THR   1  -8.684   4.678  -2.488
    6    HG1  THR   1           1HG      THR   1 -10.743   4.664  -1.858
    7   1HG2  THR   1          1HG2      THR   1 -10.456   3.629  -4.664
    8   2HG2  THR   1          2HG2      THR   1  -8.794   4.141  -4.961
    9   3HG2  THR   1          3HG2      THR   1  -9.973   5.295  -4.337
   10    HA   PRO   2           HA       PRO   2  -4.951   2.634  -0.516
   11   1HB   PRO   2          2HB       PRO   2  -3.584   4.889  -1.071
   12   2HB   PRO   2          1HB       PRO   2  -3.522   3.471  -2.125
   13   1HG   PRO   2          2HG       PRO   2  -5.153   5.970  -2.407
   14   2HG   PRO   2          1HG       PRO   2  -4.211   5.106  -3.638
   15   1HD   PRO   2          2HD       PRO   2  -6.897   4.836  -3.391
   16   2HD   PRO   2          1HD       PRO   2  -5.847   3.519  -3.960
   17    H    TYR   3           H        TYR   3  -7.301   3.351   0.602
   18    HA   TYR   3           HA       TYR   3  -6.803   5.839   2.071
   19   1HB   TYR   3          2HB       TYR   3  -9.175   4.592   1.092
   20   2HB   TYR   3          1HB       TYR   3  -9.263   4.607   2.848
   21    HD1  TYR   3           1HD      TYR   3 -10.608   6.251   0.337
   22    HD2  TYR   3           2HD      TYR   3  -7.971   7.129   3.561
   23    HE1  TYR   3           1HE      TYR   3 -11.329   8.599   0.280
   24    HE2  TYR   3           2HE      TYR   3  -8.685   9.481   3.510
   25    HH   TYR   3           HH       TYR   3 -10.360  10.846   0.973
   26    HA   PRO   4           HA       PRO   4  -6.918   2.630   5.537
   27   1HB   PRO   4          2HB       PRO   4  -8.210   0.321   5.304
   28   2HB   PRO   4          1HB       PRO   4  -9.104   1.844   5.385
   29   1HG   PRO   4          2HG       PRO   4  -8.583   0.080   3.056
   30   2HG   PRO   4          1HG       PRO   4  -9.965   1.138   3.379
   31   1HD   PRO   4          2HD       PRO   4  -7.679   1.694   1.755
   32   2HD   PRO   4          1HD       PRO   4  -9.020   2.784   2.147
   33    H    VAL   5           H        VAL   5  -5.369   2.005   2.716
   34    HA   VAL   5           HA       VAL   5  -4.108  -0.471   3.682
   35    HB   VAL   5           HB       VAL   5  -3.075   0.172   1.133
   36   1HG1  VAL   5          1HG1      VAL   5  -3.172  -2.051   1.387
   37   2HG1  VAL   5          2HG1      VAL   5  -4.781  -1.892   0.684
   38   3HG1  VAL   5          3HG1      VAL   5  -4.588  -1.971   2.435
   39   1HG2  VAL   5          1HG2      VAL   5  -6.092   0.191   1.086
   40   2HG2  VAL   5          2HG2      VAL   5  -4.999   0.324  -0.291
   41   3HG2  VAL   5          3HG2      VAL   5  -5.095   1.630   0.888
   42    H    ASN   6           H        ASN   6  -2.737   0.334   5.188
   43    HA   ASN   6           HA       ASN   6  -0.859   2.448   4.492
   44   1HB   ASN   6          2HB       ASN   6  -0.825   0.930   7.090
   45   2HB   ASN   6          1HB       ASN   6  -0.314   2.583   6.773
   46   1HD2  ASN   6          1HD2      ASN   6  -1.890   2.065   8.909
   47   2HD2  ASN   6          2HD2      ASN   6  -3.479   2.690   8.649
   48    H    CYS   7           H        CYS   7   1.490   2.115   5.060
   49    HA   CYS   7           HA       CYS   7   2.648  -0.430   5.296
   50   1HB   CYS   7          2HB       CYS   7   3.583  -0.675   2.968
   51   2HB   CYS   7          1HB       CYS   7   1.865  -1.004   3.105
   52    H    LYS   8           H        LYS   8   4.984  -0.448   4.452
   53    HA   LYS   8           HA       LYS   8   6.217   2.203   4.807
   54   1HB   LYS   8          2HB       LYS   8   7.497  -0.381   5.701
   55   2HB   LYS   8          1HB       LYS   8   7.973   1.261   6.108
   56   1HG   LYS   8          2HG       LYS   8   5.293   0.252   6.952
   57   2HG   LYS   8          1HG       LYS   8   6.735  -0.218   7.852
   58   1HD   LYS   8          2HD       LYS   8   7.260   2.308   7.899
   59   2HD   LYS   8          1HD       LYS   8   5.564   2.516   7.457
   60   1HE   LYS   8          2HE       LYS   8   4.829   1.933   9.504
   61   2HE   LYS   8          1HE       LYS   8   6.030   0.655   9.679
   62   1HZ   LYS   8          1HZ       LYS   8   6.837   3.486   9.868
   63   2HZ   LYS   8          2HZ       LYS   8   7.587   2.118  10.520
   64   3HZ   LYS   8          3HZ       LYS   8   6.157   2.703  11.205
   65    H    THR   9           H        THR   9   6.613  -1.082   3.501
   66    HA   THR   9           HA       THR   9   8.336   0.000   1.372
   67    HB   THR   9           HB       THR   9   8.771  -2.662   1.185
   68    HG1  THR   9           1HG      THR   9   8.371  -3.685   2.964
   69   1HG2  THR   9          1HG2      THR   9  10.157  -0.578   2.788
   70   2HG2  THR   9          2HG2      THR   9  10.692  -1.437   1.345
   71   3HG2  THR   9          3HG2      THR   9  10.688  -2.257   2.905
   72    H    ASP  10           H        ASP  10   8.188  -1.770  -0.598
   73    HA   ASP  10           HA       ASP  10   5.735  -1.296  -1.840
   74   1HB   ASP  10          2HB       ASP  10   8.064  -3.071  -2.421
   75   2HB   ASP  10          1HB       ASP  10   6.580  -3.325  -3.331
   76    H    ARG  11           H        ARG  11   6.939  -4.512  -0.838
   77    HA   ARG  11           HA       ARG  11   4.406  -5.765  -1.113
   78   1HB   ARG  11          2HB       ARG  11   5.503  -7.668   0.090
   79   2HB   ARG  11          1HB       ARG  11   6.323  -7.121  -1.363
   80   1HG   ARG  11          2HG       ARG  11   7.500  -5.655   0.678
   81   2HG   ARG  11          1HG       ARG  11   7.275  -7.267   1.362
   82   1HD   ARG  11          2HD       ARG  11   8.469  -6.854  -1.361
   83   2HD   ARG  11          1HD       ARG  11   9.456  -6.800   0.099
   84    HE   ARG  11           HE       ARG  11   8.209  -9.142   0.395
   85   1HH1  ARG  11          1HH1      ARG  11   9.852  -7.778  -2.381
   86   2HH1  ARG  11          2HH1      ARG  11  10.322  -9.318  -3.014
   87   1HH2  ARG  11          1HH2      ARG  11   8.834 -11.170  -0.447
   88   2HH2  ARG  11          2HH2      ARG  11   9.746 -11.243  -1.917
   89    H    ASP  12           H        ASP  12   5.140  -3.561   1.178
   90    HA   ASP  12           HA       ASP  12   4.136  -4.908   3.512
   91   1HB   ASP  12          2HB       ASP  12   5.147  -2.208   2.876
   92   2HB   ASP  12          1HB       ASP  12   3.898  -2.260   4.113
   93    H    CYS  13           H        CYS  13   2.892  -3.005   0.893
   94    HA   CYS  13           HA       CYS  13   0.256  -2.814   2.110
   95   1HB   CYS  13          2HB       CYS  13   1.639  -1.143   0.415
   96   2HB   CYS  13          1HB       CYS  13   0.540  -1.968  -0.685
   97    H    VAL  14           H        VAL  14   1.607  -5.400   1.207
   98    HA   VAL  14           HA       VAL  14   0.543  -6.450  -1.101
   99    HB   VAL  14           HB       VAL  14   2.171  -7.539   0.542
  100   1HG1  VAL  14          1HG1      VAL  14   0.725  -7.418   2.518
  101   2HG1  VAL  14          2HG1      VAL  14   1.243  -9.069   2.178
  102   3HG1  VAL  14          3HG1      VAL  14  -0.391  -8.556   1.763
  103   1HG2  VAL  14          1HG2      VAL  14   1.153  -9.885  -0.058
  104   2HG2  VAL  14          2HG2      VAL  14   1.782  -8.818  -1.314
  105   3HG2  VAL  14          3HG2      VAL  14   0.044  -8.913  -1.026
  106    H    MET  15           H        MET  15  -1.068  -5.810   1.935
  107    HA   MET  15           HA       MET  15  -3.345  -7.398   1.709
  108   1HB   MET  15          2HB       MET  15  -4.469  -5.443   2.983
  109   2HB   MET  15          1HB       MET  15  -3.137  -6.292   3.755
  110   1HG   MET  15          2HG       MET  15  -1.641  -4.521   3.363
  111   2HG   MET  15          1HG       MET  15  -2.725  -3.757   2.201
  112   1HE   MET  15          1HE       MET  15  -2.112  -4.771   5.833
  113   2HE   MET  15          2HE       MET  15  -3.825  -5.192   5.832
  114   3HE   MET  15          3HE       MET  15  -3.257  -3.811   6.770
  115    H    CYS  16           H        CYS  16  -2.397  -4.571  -0.073
  116    HA   CYS  16           HA       CYS  16  -5.032  -4.043  -1.143
  117   1HB   CYS  16          2HB       CYS  16  -3.107  -2.338  -0.710
  118   2HB   CYS  16          1HB       CYS  16  -2.468  -2.909  -2.246
  119    H    GLY  17           H        GLY  17  -1.949  -5.419  -2.310
  120   1HA   GLY  17          2HA       GLY  17  -3.297  -7.159  -4.124
  121   2HA   GLY  17          1HA       GLY  17  -2.591  -5.798  -4.980
  122    H    LEU  18           H        LEU  18  -1.471  -7.688  -6.009
  123    HA   LEU  18           HA       LEU  18   0.721  -8.812  -4.474
  124   1HB   LEU  18          2HB       LEU  18  -0.211  -9.314  -7.300
  125   2HB   LEU  18          1HB       LEU  18   1.178 -10.094  -6.573
  126    HG   LEU  18           HG       LEU  18  -0.657 -11.625  -6.501
  127   1HD1  LEU  18          1HD1      LEU  18   0.867 -11.255  -4.445
  128   2HD1  LEU  18          2HD1      LEU  18  -0.576 -12.255  -4.280
  129   3HD1  LEU  18          3HD1      LEU  18  -0.586 -10.590  -3.697
  130   1HD2  LEU  18          1HD2      LEU  18  -2.278  -9.692  -4.875
  131   2HD2  LEU  18          2HD2      LEU  18  -2.799 -11.170  -5.683
  132   3HD2  LEU  18          3HD2      LEU  18  -2.388  -9.744  -6.635
  133    H    GLY  19           H        GLY  19   1.843  -6.854  -4.169
  134   1HA   GLY  19          2HA       GLY  19   3.953  -5.888  -4.783
  135   2HA   GLY  19          1HA       GLY  19   3.531  -6.130  -6.474
  136    H    ILE  20           H        ILE  20   2.839  -4.212  -3.598
  137    HA   ILE  20           HA       ILE  20   1.574  -2.163  -5.287
  138    HB   ILE  20           HB       ILE  20   1.428  -2.023  -2.328
  139   1HG1  ILE  20          2HG1      ILE  20   0.990  -4.343  -2.558
  140   2HG1  ILE  20          1HG1      ILE  20  -0.569  -3.546  -2.368
  141   1HG2  ILE  20          1HG2      ILE  20   0.304  -0.277  -3.340
  142   2HG2  ILE  20          2HG2      ILE  20  -0.991  -1.433  -3.030
  143   3HG2  ILE  20          3HG2      ILE  20  -0.303  -1.292  -4.647
  144   1HD1  ILE  20          1HD1      ILE  20   0.273  -5.271  -4.435
  145   2HD1  ILE  20          2HD1      ILE  20   0.018  -3.677  -5.142
  146   3HD1  ILE  20          3HD1      ILE  20  -1.280  -4.460  -4.247
  147    H    SER  21           H        SER  21   2.106   0.022  -5.027
  148    HA   SER  21           HA       SER  21   4.820   0.488  -4.054
  149   1HB   SER  21          2HB       SER  21   4.259   2.855  -5.066
  150   2HB   SER  21          1HB       SER  21   4.628   1.509  -6.143
  151    HG   SER  21           HG       SER  21   2.706   2.772  -6.672
  152    H    CYS  22           H        CYS  22   5.272   1.795  -2.300
  153    HA   CYS  22           HA       CYS  22   2.927   2.560  -0.712
  154   1HB   CYS  22          2HB       CYS  22   4.815   0.972   0.138
  155   2HB   CYS  22          1HB       CYS  22   5.704   2.468   0.408
  156    H    LYS  23           H        LYS  23   2.456   4.581  -0.259
  157    HA   LYS  23           HA       LYS  23   4.240   6.721  -1.164
  158   1HB   LYS  23          2HB       LYS  23   2.334   8.148  -1.169
  159   2HB   LYS  23          1HB       LYS  23   1.802   6.630  -1.876
  160   1HG   LYS  23          2HG       LYS  23   1.078   6.101   0.592
  161   2HG   LYS  23          1HG       LYS  23   1.093   7.859   0.739
  162   1HD   LYS  23          2HD       LYS  23  -0.242   6.844  -1.668
  163   2HD   LYS  23          1HD       LYS  23  -1.017   6.385  -0.153
  164   1HE   LYS  23          2HE       LYS  23  -2.030   8.381  -0.323
  165   2HE   LYS  23          1HE       LYS  23  -0.505   9.014   0.294
  166   1HZ   LYS  23          1HZ       LYS  23  -0.849  10.289  -1.570
  167   2HZ   LYS  23          2HZ       LYS  23  -1.542   9.029  -2.459
  168   3HZ   LYS  23          3HZ       LYS  23   0.129   9.063  -2.204
  169    H    ASN  24           H        ASN  24   3.108   8.692   0.604
  170    HA   ASN  24           HA       ASN  24   4.877   8.653   2.713
  171   1HB   ASN  24          2HB       ASN  24   3.475  10.595   1.692
  172   2HB   ASN  24          1HB       ASN  24   2.288  10.152   2.912
  173   1HD2  ASN  24          1HD2      ASN  24   2.725  10.537   5.072
  174   2HD2  ASN  24          2HD2      ASN  24   4.040  11.532   5.587
  175    H    GLY  25           H        GLY  25   4.332   6.312   3.238
  176   1HA   GLY  25          2HA       GLY  25   3.870   4.956   5.059
  177   2HA   GLY  25          1HA       GLY  25   2.953   6.269   5.776
  178    H    TYR  26           H        TYR  26   2.068   5.533   2.525
  179    HA   TYR  26           HA       TYR  26  -0.009   3.664   3.399
  180   1HB   TYR  26          2HB       TYR  26  -0.605   6.317   2.080
  181   2HB   TYR  26          1HB       TYR  26  -1.778   5.013   2.248
  182    HD1  TYR  26           1HD      TYR  26  -1.990   4.086   4.735
  183    HD2  TYR  26           2HD      TYR  26  -0.626   7.977   3.688
  184    HE1  TYR  26           1HE      TYR  26  -2.568   4.886   6.981
  185    HE2  TYR  26           2HE      TYR  26  -1.210   8.794   5.931
  186    HH   TYR  26           HH       TYR  26  -1.458   7.591   8.323
  187    H    CYS  27           H        CYS  27  -1.554   3.372   1.269
  188    HA   CYS  27           HA       CYS  27   0.195   2.093  -0.630
  189   1HB   CYS  27          2HB       CYS  27  -2.492   1.768   0.254
  190   2HB   CYS  27          1HB       CYS  27  -2.529   2.028  -1.483
  191    H    GLN  28           H        GLN  28   0.527   2.611  -2.742
  192    HA   GLN  28           HA       GLN  28  -0.231   5.308  -3.561
  193   1HB   GLN  28          2HB       GLN  28   1.912   3.415  -4.245
  194   2HB   GLN  28          1HB       GLN  28   1.262   4.288  -5.622
  195   1HG   GLN  28          2HG       GLN  28   1.622   6.396  -4.235
  196   2HG   GLN  28          1HG       GLN  28   2.604   5.384  -3.179
  197   1HE2  GLN  28          1HE2      GLN  28   4.632   4.819  -3.799
  198   2HE2  GLN  28          2HE2      GLN  28   5.373   5.343  -5.270
  199    H    GLY  29           H        GLY  29  -0.719   1.945  -4.472
  200   1HA   GLY  29          2HA       GLY  29  -3.197   2.013  -5.499
  201   2HA   GLY  29          1HA       GLY  29  -2.235   2.602  -6.851
  202    H    CYS  30           H        CYS  30  -3.377  -0.146  -5.240
  203    HA   CYS  30           HA       CYS  30  -1.314  -1.928  -6.206
  204   1HB   CYS  30          2HB       CYS  30  -2.731  -3.695  -5.134
  205   2HB   CYS  30          1HB       CYS  30  -2.230  -2.412  -4.043
  206    H    THR  31           H        THR  31  -3.884  -3.858  -6.518
  207    HA   THR  31           HA       THR  31  -3.971  -3.490  -9.414
  208    HB   THR  31           HB       THR  31  -4.576  -5.764  -9.608
  209    HG1  THR  31           1HG      THR  31  -5.343  -5.571  -6.901
  210   1HG2  THR  31          1HG2      THR  31  -2.295  -5.144  -8.135
  211   2HG2  THR  31          2HG2      THR  31  -2.641  -6.642  -8.999
  212   3HG2  THR  31          3HG2      THR  31  -3.046  -6.497  -7.288