*HEADER    TOXIN                                   25-JUL-00   1FFJ              
*TITLE     NMR STRUCTURE OF CARDIOTOXIN IN DPC-MICELLE                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOTOXIN 2;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: 1;                                                         
*COMPND   5 SYNONYM: CARDIOTOXIN                                                 
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: NAJA OXIANA;                                    
*SOURCE   3 ORGANISM_COMMON: SNAKE;                                              
*SOURCE   4 SECRETION: VENOM                                                     
*KEYWDS    ALL-BETA SHEET PROTEIN, MEMBRANE PERTURBATION                         
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    P.V.DUBOVSKII, D.V.DEMENTIEVA, E.V.BOCHAROV, Y.N.UTKIN,               
*AUTHOR   2 A.S.ARSENIEV                                                         
*REVDAT   1   17-JAN-01 1FFJ    0                                                
  1 LEU  HA      2 LYS+ HN      2.98                               
  2 LYS+ HN     57 ASP- HA      3.60                
  2 LYS+ HN     58 LYS+ HN      5.39                
  2 LYS+ HA      3 CYSS HN      2.94                
  2 LYS+ HA     13 THR  HA      3.25                
  2 LYS+ HA     12 LYS+ HN      4.76                   
  2 LYS+ HA     14 CYSS HN      3.94 
  3 CYSS HN      3 CYSS HB2     4.07               
  3 CYSS HN      3 CYSS HB3     4.87                           
  3 CYSS HN     12 LYS+ HN      3.83                
  3 CYSS HN     13 THR  HA      3.94 
  3 CYSS HN     13 THR  QG2     6.53                 
  3 CYSS HN     14 CYSS HN      5.65                
  3 CYSS HA      4 LYS+ HN      3.21                
  3 CYSS HA     58 LYS+ HN      3.91                
  3 CYSS HA     58 LYS+ HA      3.36                           
  3 CYSS HA     59 CYSS HN      5.16                
  3 CYSS HA     60 ASN  HD22    7.35                         
  3 CYSS HB2     4 LYS+ HN      4.53                 
  3 CYSS HB3     4 LYS+ HN      3.74 
  3 CYSS HB2    60 ASN  HD22    5.86                                  
  3 CYSS HB3    60 ASN  HD22    3.94 
  4 LYS+ HN      4 LYS+ HB2     3.02
  4 LYS+ HN      4 LYS+ HB3     3.79
  4 LYS+ HN      4 LYS+ QG      5.85                          
  4 LYS+ HN     58 LYS+ HN      5.56                
  4 LYS+ HN     58 LYS+ HA      4.33                
  4 LYS+ HN     60 ASN  HN      5.91                
  4 LYS+ HN     60 ASN  HD21    6.00                
  4 LYS+ HN     60 ASN  HD22    4.07                        
  4 LYS+ HA      5 LYS+ HN      2.91                
  4 LYS+ HA     11 SER  HA      3.25                
  4 LYS+ HA     12 LYS+ HN      3.99 
  4 LYS+ HA     12 LYS+ HN      4.07 
  4 LYS+ HB2     4 LYS+ QD      3.77  
  4 LYS+ HB3     4 LYS+ QD      3.28 
  4 LYS+ HB3     5 LYS+ HN      3.36 
  4 LYS+ QG     58 LYS+ HA      5.01 
  4 LYS+ QD      5 LYS+ HN      5.82  
  5 LYS+ HN      5 LYS+ HB2     3.25                 
  5 LYS+ HN      5 LYS+ HB3     4.12                         
  5 LYS+ HN      5 LYS+ HG2     4.53                
  5 LYS+ HN      5 LYS+ HG3     4.53                
  5 LYS+ HN      5 LYS+ QG      4.32                
  5 LYS+ HN     11 SER  HA      3.76 
  5 LYS+ HA      5 LYS+ QG      3.98                
  5 LYS+ HA      6 LEU  HN      3.02
  5 LYS+ HB2     6 LEU  HN      4.33      
  5 LYS+ HB3     6 LEU  HN      2.80      
  5 LYS+ HB2    10 PHE  HN      5.86               
  5 LYS+ QG     11 SER  HA      4.25                
  5 LYS+ QD      6 LEU  HN      5.48                
  5 LYS+ QD     11 SER  HA      5.84                
  6 LEU  HN      6 LEU  HB2     3.44 
  6 LEU  HN      6 LEU  HB3     3.44                  
  6 LEU  HN      7 VAL  HN      3.91                
  6 LEU  HA      6 LEU  HB2     3.33                
  6 LEU  HA      6 LEU  HB3     3.33                
  6 LEU  HA      6 LEU  HG      3.76                
  6 LEU  HA     36 ARG+ HN      3.55 
  6 LEU  HA     36 ARG+ QB      4.47 
  6 LEU  HA     36 ARG+ HE      5.50 
  6 LEU  HA     36 ARG+ QG      7.04             
  6 LEU  HB2     7 VAL  HN      4.28                 
  6 LEU  HB3     7 VAL  HN      3.30 
  6 LEU  HG     36 ARG+ HN      3.73                 
  6 LEU  QD1    35 LYS+ HA      7.50                 
  7 VAL  HN      7 VAL  HB      3.14                
  7 VAL  HB      9 LEU  HN      4.57
  7 VAL  HB     10 PHE  QD      6.01 
  7 VAL  QG1     8 PRO  HD2     3.70 
  7 VAL  QG1     8 PRO  HD3     4.50                 
  8 PRO  HA      9 LEU  HN      4.08                    
  8 PRO  HA     10 PHE  HN      3.80                
  8 PRO  QB      9 LEU  HN      5.12                               
  9 LEU  HN      9 LEU  HG      3.80
  9 LEU  HN      9 LEU  HB2     3.94 
  9 LEU  HN      9 LEU  HB3     4.91                    
  9 LEU  HN     10 PHE  HN      3.21                
  9 LEU  HA      9 LEU  HG      3.56                
  9 LEU  HB2    10 PHE  HN      4.37 
  9 LEU  HG     10 PHE  HN      5.50                 
 10 PHE  HN     10 PHE  HB2     3.14                 
 10 PHE  HN     10 PHE  HB3     4.12                 
 10 PHE  HA     11 SER  HN      2.98                
 10 PHE  HB2    11 SER  HN      4.61                
 10 PHE  HB3    11 SER  HN      3.29 
 11 SER  HN     11 SER  HB2     3.70 
 11 SER  HN     11 SER  HB3     3.98               
 11 SER  HA     12 LYS+ HN      2.91
 11 SER  HB2    12 LYS+ HN      3.30 
 11 SER  HB3    12 LYS+ HN      3.83                
 12 LYS+ HA     13 THR  HN      2.74                 
 13 THR  HN     13 THR  HB      3.29                
 13 THR  HN     13 THR  QG2     5.34                
 13 THR  HA     14 CYSS HN      2.87                
 13 THR  HB     14 CYSS HN      5.12
 13 THR  QG2    14 CYSS HA      5.47                
 13 THR  QG2    14 CYSS HN      5.61                
 14 CYSS HN     14 CYSS HB3     3.87                 
 14 CYSS HN     14 CYSS HB2     3.02                                
 14 CYSS HA     15 PRO  QG      5.93                
 14 CYSS HA     15 PRO  HD2     2.56                
 14 CYSS HA     15 PRO  HD3     3.06 
 14 CYSS HA     38 CYSS HB3     4.07 
 14 CYSS HA     18 LYS+ QB      5.43                       
 15 PRO  HA     16 ALA  HN      2.76                
 15 PRO  HB2    16 ALA  HN      3.24                 
 15 PRO  HB3    16 ALA  HN      3.80 
 15 PRO  QD     18 LYS+ QG      4.61 
 16 ALA  HA     17 GLY  HN      3.05                
 16 ALA  HA     18 LYS+ HN      4.61                
 16 ALA  QB     17 GLY  HN      5.18                                 
 17 GLY  HN     18 LYS+ HN      3.60                
 18 LYS+ HN     19 ASN  HN      4.14                 
 18 LYS+ HA     19 ASN  HN      2.94
 18 LYS+ HA     40 ASP- HN      4.60 
 18 LYS+ HA     40 ASP- HA      4.07                
 19 ASN  HN     19 ASN  HA      3.14                 
 19 ASN  HN     19 ASN  HB2     3.29                 
 19 ASN  HN     19 ASN  HB3     4.79                
 19 ASN  HN     20 LEU  HN      3.40
 19 ASN  HN     40 ASP- HA      3.53 
 19 ASN  HB2    20 LEU  HN      6.00 
 19 ASN  HB3    20 LEU  HN      4.32                              
 20 LEU  HN     20 LEU  HA      3.09 
 20 LEU  HN     20 LEU  HG      3.61                
 20 LEU  HN     38 CYSS HA      6.04                
 20 LEU  HN     39 ILE  HN      4.00                            
 20 LEU  HA     21 CYSS HN      2.91
 20 LEU  HA     54 CYSS HN      4.23                 
 20 LEU  HA     55 ASN  HA      3.25
 20 LEU  HB3    21 CYSS HN      3.27 
 20 LEU  HB3    54 CYSS HN      5.50                          
 21 CYSS HN     21 CYSS HB2     4.16                 
 21 CYSS HN     21 CYSS HB3     4.60                    
 21 CYSS HN     54 CYSS HN      3.51                           
 21 CYSS HN     55 ASN  HA      3.86                
 21 CYSS HA     22 TYR  HN      2.98                
 21 CYSS HA     38 CYSS HA      3.02                
 21 CYSS HA     39 ILE  HN      4.41                
 21 CYSS HB2    22 TYR  HN      5.29                 
 21 CYSS HB2    54 CYSS HN      5.96
 21 CYSS HB2    60 ASN  HN      3.05                 
 21 CYSS HB3    22 TYR  HN      4.12                 
 21 CYSS HB3    54 CYSS HN      5.96                        
 22 TYR  HN     22 TYR  HB2     4.57                
 22 TYR  HN     22 TYR  HB3     3.94                 
 22 TYR  HN     37 GLY  HN      3.83                              
 22 TYR  HN     38 CYSS HA      4.37 
 22 TYR  HN     60 ASN  QB      4.67                
 22 TYR  HA     22 TYR  HB2     2.60                
 22 TYR  HA     22 TYR  HB3     2.91                 
 22 TYR  HA     23 LYS+ HN      3.02                
 22 TYR  HA     53 CYSS HA      2.69                 
 22 TYR  HA     53 CYSS QB      7.31                
 22 TYR  HA     54 CYSS HN      4.53
 22 TYR  HB2    23 LYS+ HN      3.21 
 22 TYR  HB3    23 LYS+ HN      5.15 
 22 TYR  HB3    53 CYSS HA      4.57                
 22 TYR  HB2    53 CYSS HA      5.47                                 
 22 TYR  HB3    53 CYSS HA      5.47
 23 LYS+ HN     51 TYR  HB2     5.50                           
 23 LYS+ HN     52 VAL  HN      3.72                                            
 23 LYS+ HN     53 CYSS HN      6.29                 
 23 LYS+ HN     53 CYSS HA      4.00                
 23 LYS+ HA     24 MET  HN      3.02                
 23 LYS+ HA     36 ARG+ HN      6.03                 
 23 LYS+ HA     36 ARG+ HA      3.18                
 23 LYS+ HA     36 ARG+ QG      5.18                
 23 LYS+ HA     37 GLY  HN      4.21                            
 24 MET  HN     24 MET  HB2     3.48                               
 24 MET  HN     35 LYS+ HN      4.16                
 24 MET  HN     36 ARG+ HA      4.16                
 24 MET  HA     24 MET  HB2     3.33                
 24 MET  HA     24 MET  HB3     2.83                 
 24 MET  HA     25 PHE  HN      2.87                
 24 MET  HA     51 TYR  HA      3.16                
 24 MET  HA     52 VAL  HN      4.13                
 24 MET  HB2    25 PHE  HN      5.29 
 24 MET  HB3    25 PHE  HN      4.60                
 24 MET  HB2    35 LYS+ HN      4.12                 
 24 MET  QG     25 PHE  HN      6.47                       
 25 PHE  HN     34 VAL  HN      5.57                 
 25 PHE  HN     50 LYS+ HN      4.28                              
 25 PHE  HN     51 TYR  HA      4.28                
 25 PHE  HA     26 MET  HN      2.81                 
 25 PHE  HA     33 PRO  HA      2.93                
 25 PHE  HA     34 VAL  HN      2.81            
 26 MET  HN     26 MET  HB2     3.48                 
 26 MET  HN     26 MET  HB3     4.60 
 26 MET  HN     26 MET  QG      5.30                 
 26 MET  HA     26 MET  HB2     3.21                 
 26 MET  HA     26 MET  HB3     3.05                
 26 MET  HA     26 MET  QG      4.44                
 26 MET  HA     27 VAL  HN      2.69                 
 26 MET  HA     28 ALA  HN      5.47                
 26 MET  HA     49 VAL  HA      3.18                
 26 MET  HA     49 VAL  QG1     5.70                
 26 MET  HA     49 VAL  QG2     5.70                
 26 MET  HA     49 VAL  QQG     5.18                
 26 MET  HA     50 LYS+ HN      4.07               
 26 MET  HB2    29 ALA  HN      4.24 
 26 MET  HB3    27 VAL  HN      3.70 
 26 MET  HB2    28 ALA  HN      3.76  
 26 MET  HB3    28 ALA  HN      3.27                
 26 MET  QG     49 VAL  HB      5.18
 26 MET  HN     71 WATQ H3      1.30  
 26 MET  HN     71 WATQ O       2.30  
 26 MET  N      71 WATQ H3      2.40  
 26 MET  N      71 WATQ O       3.40                                
 27 VAL  HN     28 ALA  HN      3.94                 
 27 VAL  HN     48 LEU  HA      5.15                             
 27 VAL  HN     49 VAL  HA      3.90
 27 VAL  HA     27 VAL  HB      2.90                
 27 VAL  HA     28 ALA  HN      4.12                 
 28 ALA  HN     29 ALA  HN      3.05                           
 29 ALA  HA     30 PRO  QD      2.45 
 29 ALA  HA     31 HIS  HN      3.94 
 29 ALA  HA     30 PRO  QD      3.53   
 30 PRO  HA     31 HIS  HN      3.94                  
 30 PRO  QB     31 HIS  HN      5.15                  
 30 PRO  QD     79 WATQ H1      3.00                    
 31 HIS  HN     31 HIS  HB2     3.36                 
 31 HIS  HN     31 HIS  HB3     4.53                 
 31 HIS  HN     32 VAL  HN      3.18 
 31 HIS  HA     31 HIS  HD2     5.41                 
 31 HIS  HA     32 VAL  HN      3.68 
 31 HIS  HB2    32 VAL  HN      5.16 
 31 HIS  HB3    32 VAL  HN      5.43               
 32 VAL  HN     32 VAL  HB      3.40
 32 VAL  HN     32 VAL  QG2     5.05  
 32 VAL  HA     33 PRO  HD2     2.50 
 32 VAL  HA     33 PRO  HD3     3.00   
 32 VAL  QG1    33 PRO  QD      6.00                                   
 33 PRO  HA     34 VAL  HN      2.69                 
 33 PRO  HA     35 LYS+ HN      4.47
 33 PRO  QB     34 VAL  HN      3.47                 
 34 VAL  HN     35 LYS+ HN      3.25                 
 34 VAL  HA     35 LYS+ HN      3.96                 
 35 LYS+ HA     36 ARG+ HN      2.63                 
 36 ARG+ HA     36 ARG+ HE      5.34                
 36 ARG+ HA     37 GLY  HN      2.76 
 36 ARG+ HB2    37 GLY  HN      3.58               
 36 ARG+ HB3    36 ARG+ HE      3.53 
 36 ARG+ HB3    60 ASN  HD21    3.52 
 36 ARG+ HB3    60 ASN  HD22    3.67                
 37 GLY  HN     60 ASN  HD21    4.91 
 37 GLY  HN     60 ASN  HD22    5.50                 
 37 GLY  HA1    38 CYSS HN      3.24                 
 37 GLY  HA2    38 CYSS HN      2.90                                
 38 CYSS HN     38 CYSS HB2     3.60                 
 38 CYSS HA     39 ILE  HN      3.05                
 38 CYSS HB2    39 ILE  HN      4.33                 
 38 CYSS HB3    39 ILE  HN      3.87                  
 39 ILE  HN     39 ILE  HB      3.76 
 39 ILE  HN     39 ILE  HG22    3.17 
 39 ILE  HN     39 ILE  HG23    3.73                                
 39 ILE  HA     40 ASP- HN      3.18                
 39 ILE  HA     41 VAL  HN      4.68 
 39 ILE  HG22   40 ASP- HN      4.20 
 39 ILE  HG23   40 ASP- HN      2.40 
 39 ILE  HG23   41 VAL  HN      2.80               
 40 ASP- HN     41 VAL  HN      3.25                
 40 ASP- HA     41 VAL  HN      3.87                
 41 VAL  HA     42 CYSS HN      2.83
 42 CYSS HN     42 CYSS HB2     2.90                
 42 CYSS HN     42 CYSS HB3     3.25 
 42 CYSS HA     43 PRO  HD2     2.70 
 42 CYSS HA     43 PRO  HD3     2.10                               
 42 CYSS CB     53 CYSS SG      3.43                   
 42 CYSS SG     53 CYSS CB      3.43                   
 42 CYSS SG     53 CYSS SG      2.22                   
 43 PRO  HA     44 LYS+ HN      2.91                
 43 PRO  HB2    44 LYS+ HN      3.00                 
 43 PRO  HB3    44 LYS+ HN      3.50                 
 43 PRO  QB     44 LYS+ HN      4.20                
 44 LYS+ HN     44 LYS+ HB2     3.56 
 44 LYS+ HN     44 LYS+ HB3     3.21                 
 44 LYS+ HA     45 SER  HN      2.94                
 44 LYS+ HB2    45 SER  HN      4.12                 
 44 LYS+ HB3    45 SER  HN      4.45                 
 45 SER  HN     45 SER  HB2     3.29                
 45 SER  HN     45 SER  HB3     4.47                                
 45 SER  HA     46 SER  HN      3.05                
 45 SER  HA     50 LYS+ HA      3.18                
 45 SER  HA     51 TYR  HN      4.07                
 45 SER  HB2    46 SER  HN      5.34                 
 45 SER  HB3    46 SER  HN      3.48                 
 46 SER  HN     46 SER  HB3     4.21                  
 46 SER  HN     49 VAL  HN      4.33                 
 46 SER  HN     49 VAL  HB      5.70                             
 46 SER  HN     50 LYS+ HA      3.94                
 46 SER  HA     46 SER  HB2     2.94                 
 46 SER  HA     46 SER  HB3     3.02                
 46 SER  HA     47 LEU  HN      3.48                
 46 SER  HA     47 LEU  HG      4.79                         
 46 SER  HB2    47 LEU  HN      2.94                 
 46 SER  HB3    47 LEU  HN      4.47 
 47 LEU  HN     47 LEU  HB2     3.05 
 47 LEU  HN     47 LEU  HG      2.86 
 47 LEU  HA     47 LEU  HB2     2.96
 47 LEU  HA     47 LEU  HG      4.04                           
 47 LEU  HA     48 LEU  HN      4.02    
 47 LEU  HB2    48 LEU  HN      3.17                             
 48 LEU  HN     48 LEU  HB2     3.30                
 48 LEU  HN     48 LEU  QQD     5.61                
 48 LEU  HN     49 VAL  HN      3.25                
 48 LEU  HB2    49 VAL  HN      4.74                 
 48 LEU  HB3    49 VAL  HN      4.33                
 48 LEU  HG     49 VAL  HN      6.00                
 49 VAL  HN     49 VAL  HB      3.72
 49 VAL  HN     50 LYS+ HA      5.00               
 49 VAL  HA     50 LYS+ HN      2.91                
 49 VAL  HB     50 LYS+ HN      3.84                               
 50 LYS+ HN     51 TYR  HN      4.78                
 50 LYS+ HA     51 TYR  HN      2.94                                
 51 TYR  HN     51 TYR  HB2     3.56                
 51 TYR  HN     51 TYR  HB3     4.69                 
 51 TYR  HA     52 VAL  HN      2.76                
 51 TYR  HB2    52 VAL  HN      5.57                 
 51 TYR  HB3    52 VAL  HN      4.49                 
 52 VAL  HN     52 VAL  HB      3.68
 52 VAL  HN     52 VAL  QG2     5.97                 
 52 VAL  HA     53 CYSS HN      2.76                
 52 VAL  HB     53 CYSS HN      5.16                
 52 VAL  QG1    53 CYSS HN      5.78
 52 VAL  QQG    53 CYSS HN      5.57                
 53 CYSS HN     53 CYSS HB2     4.33                
 53 CYSS HN     53 CYSS HB3     4.33                    
 53 CYSS HA     53 CYSS HB3     3.44                
 53 CYSS HA     53 CYSS HB2     4.60                
 53 CYSS HA     54 CYSS HN      2.71                
 53 CYSS HB2    54 CYSS HN      4.36                
 53 CYSS HB3    54 CYSS HN      3.29                
 54 CYSS HN     54 CYSS HB3     4.20
 54 CYSS HN     54 CYSS HB2     4.60               
 54 CYSS HA     54 CYSS HB2     2.87               
 54 CYSS HA     54 CYSS HB3     2.57                    
 54 CYSS HA     55 ASN  HN      2.91                
 54 CYSS HA     56 THR  HN      5.39                        
 54 CYSS HB2    55 ASN  HN      3.18                
 54 CYSS HB3    55 ASN  HN      4.74                
 54 CYSS HB3    56 THR  QG2     5.39                             
 55 ASN  HN     56 THR  HN      3.60                                
 55 ASN  HA     56 THR  HN      3.76
 56 THR  HN     57 ASP- HN      4.29 
 56 THR  HN     59 CYSS HB2     3.56 
 56 THR  HN     59 CYSS HB3     2.56 
 56 THR  HN     59 CYSS QB      3.07                
 56 THR  HN     59 CYSS HN      4.51                
 56 THR  HA     57 ASP- HN      2.94                
 57 ASP- HN     57 ASP- HB2     3.15                
 57 ASP- HN     57 ASP- HB3     4.47                
 57 ASP- HA     58 LYS+ HN      2.94                
 57 ASP- HA     59 CYSS HN      4.12                
 57 ASP- HB2    58 LYS+ HN      5.34 
 57 ASP- HB3    58 LYS+ HN      4.53                  
 58 LYS+ HA     59 CYSS HN      3.36                
 58 LYS+ HA     60 ASN  HN      4.12                
 59 CYSS HN     59 CYSS HB2     3.87                
 59 CYSS HN     59 CYSS HB3     3.18                
 59 CYSS HN     60 ASN  HN      3.56                
 59 CYSS HB3    60 ASN  HN      5.29                
 59 CYSS HB2    60 ASN  HN      6.00               
 60 ASN  HN     60 ASN  HB2     4.60               
 60 ASN  HN     60 ASN  HB3     3.55                
 60 ASN  HB2    60 ASN  HD21    5.12
#disulfides + hydrogen bonds follow
#disulfides upper constraints
 3 CYS  
         CB     21 CYS  SG      3.00                
         SG     21 CYS  CB      3.00                
         SG     21 CYS  SG      2.00                
 14 CYS  
         CB     38 CYS  SG      3.00                
         SG     38 CYS  CB      3.00                
         SG     38 CYS  SG      2.00                
 42 CYS  
         CB     53 CYS  SG      3.00                
         SG     53 CYS  CB      3.00                
         SG     53 CYS  SG      2.00                
 54 CYS  
         CB     59 CYS  SG      3.00                
         SG     59 CYS  CB      3.00                
         SG     59 CYS  SG      2.00
#hydrogen bonds; upper constraints
  2 LYS  HN     57 ASP  OD1     1.90  9.00e+00
  2 LYS  HN     57 ASP  CG      3.20  9.00e+00
  2 LYS  N      57 ASP  OD1     3.00  9.00e+00
  2 LYS  N      57 ASP  CG      4.20  9.00e+00
  3 CYS  HN     12 LYS  O       1.90  9.00e+00
  3 CYS  HN     12 LYS  C       3.20  9.00e+00
  3 CYS  N      12 LYS  O       3.00  9.00e+00
  3 CYS  N      12 LYS  C       4.20  9.00e+00
  4 LYS  HN     60 ASN  OD1     1.90  9.00e+00
  4 LYS  HN     60 ASN  CG      3.20  9.00e+00
  4 LYS  N      60 ASN  OD1     3.00  9.00e+00
  4 LYS  N      60 ASN  CG      4.20  9.00e+00
  5 LYS  HN     10 PHE  O       1.90  9.00e+00
  5 LYS  HN     10 PHE  C       3.20  9.00e+00
  5 LYS  N      10 PHE  O       3.00  9.00e+00
  5 LYS  N      10 PHE  C       4.20  9.00e+00
  9 LEU  HN      7 VAL  O       1.90  9.00e+00
  9 LEU  HN      7 VAL  C       3.20  9.00e+00
  9 LEU  N       7 VAL  O       3.00  9.00e+00
  9 LEU  N       7 VAL  C       4.20  9.00e+00
 12 LYS  HN      3 CYS  O       1.90  9.00e+00
 12 LYS  HN      3 CYS  C       3.20  9.00e+00
 12 LYS  N       3 CYS  O       3.00  9.00e+00
 12 LYS  N       3 CYS  C       4.20  9.00e+00
 14 CYS  HN      1 LEU  O       1.90  9.00e+00
 14 CYS  HN      1 LEU  C       3.20  9.00e+00
 14 CYS  N       1 LEU  O       3.00  9.00e+00
 14 CYS  N       1 LEU  C       4.20  9.00e+00
 18 LYS   HN     15 PRO  O       1.90  9.00e+00
 18 LYS   HN     15 PRO  C       3.20  9.00e+00
 18 LYS   N      15 PRO  O       3.00  9.00e+00
 18 LYS   N      15 PRO  C       4.20  9.00e+00
 20 LEU  HN     39 ILE  O       1.90  9.00e+00
 20 LEU  HN     39 ILE  C       3.20  9.00e+00
 20 LEU  N      39 ILE  O       3.00  9.00e+00
 20 LEU  N      39 ILE  C       4.20  9.00e+00
 21 CYS  HN     54 CYS  O       1.90  9.00e+00
 21 CYS  HN     54 CYS  C       3.20  9.00e+00
 21 CYS  N      54 CYS  O       3.00  9.00e+00
 21 CYS  N      54 CYS  C       4.20  9.00e+00
 22 TYR  HN     37 GLY  O       1.90  9.00e+00
 22 TYR  HN     37 GLY  C       3.20  9.00e+00
 22 TYR  N      37 GLY  O       3.00  9.00e+00
 22 TYR  N      37 GLY  C       4.20  9.00e+00
 23 LYS  HN     52 VAL  O       1.90  9.00e+00
 23 LYS  HN     52 VAL  C       3.20  9.00e+00
 23 LYS  N      52 VAL  O       3.00  9.00e+00
 23 LYS  N      52 VAL  C       4.20  9.00e+00
 24 MET  HN     35 LYS  O       1.90  9.00e+00
 24 MET  HN     35 LYS  C       3.20  9.00e+00
 24 MET  N      35 LYS  O       3.00  9.00e+00
 24 MET  N      35 LYS  C       4.20  9.00e+00
 25 PHE  HN     50 LYS  O       1.90  9.00e+00
 25 PHE  HN     50 LYS  C       3.20  9.00e+00
 25 PHE  N      50 LYS  O       3.00  9.00e+00
 25 PHE  N      50 LYS  C       4.20  9.00e+00
 26 MET  HN     71 WAT  O       1.90  9.00e+00
 26 MET  N      71 WAT  O       3.00  9.00e+00
 26 MET  HN     71 WATQ H3      0.90  9.00e+00
 26 MET  HN     71 WATQ O       1.90  9.00e+00
 26 MET  N      71 WATQ H3      2.00  9.00e+00
 26 MET  N      71 WATQ O       3.00  9.00e+00
 27 VAL  HN     48 LEU  O       1.90  9.00e+00
 27 VAL  HN     48 LEU  C       3.20  9.00e+00
 27 VAL  N      48 LEU  O       3.00  9.00e+00
 27 VAL  N      48 LEU  C       4.20  9.00e+00
 29 ALA  HN     26 MET  O       1.90  9.00e+00
 29 ALA  HN     26 MET  C       3.20  9.00e+00
 29 ALA  N      26 MET  O       3.00  9.00e+00
 29 ALA  N      26 MET  C       4.20  9.00e+00
 34 VAL  HN     24 MET  O       1.90  9.00e+00
 34 VAL  HN     24 MET  C       3.20  9.00e+00
 34 VAL  N      24 MET  O       3.00  9.00e+00
 34 VAL  N      24 MET  C       4.20  9.00e+00
 35 LYS  HN     24 MET  O       1.90  9.00e+00
 35 LYS  HN     24 MET  C       3.20  9.00e+00
 35 LYS  N      24 MET  O       3.00  9.00e+00
 35 LYS  N      24 MET  C       4.20  9.00e+00
 37 GLY  HN     22 TYR  O       1.90  9.00e+00
 37 GLY  HN     22 TYR  C       3.20  9.00e+00
 37 GLY  N      22 TYR  O       3.00  9.00e+00
 37 GLY  N      22 TYR  C       4.20  9.00e+00
 39 ILE  HN     20 LEU  O       1.90  9.00e+00
 39 ILE  HN     20 LEU  C       3.20  9.00e+00
 39 ILE  N      20 LEU  O       3.00  9.00e+00
 39 ILE  N      20 LEU  C       4.20  9.00e+00
 46 SER  HN     49 VAL  O       1.90  9.00e+00
 46 SER  HN     49 VAL  C       3.20  9.00e+00
 46 SER  N      49 VAL  O       3.00  9.00e+00
 46 SER  N      49 VAL  C       4.20  9.00e+00
 49 VAL  HN     46 SER  OG      1.90  9.00e+00
 49 VAL  HN     46 SER  CB      3.20  9.00e+00
 49 VAL  N      46 SER  OG      3.00  9.00e+00
 49 VAL  N      46 SER  CB      4.20  9.00e+00
 50 LYS  HN     25 PHE  O       1.90  9.00e+00
 50 LYS  HN     25 PHE  C       3.20  9.00e+00
 50 LYS  N      25 PHE  O       3.00  9.00e+00
 50 LYS  N      25 PHE  C       4.20  9.00e+00
 51 TYR  HN     45 SER  OG      1.90  9.00e+00
 51 TYR  HN     45 SER  CB      3.20  9.00e+00
 51 TYR  N      45 SER  OG      3.00  9.00e+00
 51 TYR  N      45 SER  CB      4.20  9.00e+00
 52 VAL  HN     23 LYS  O       1.90  9.00e+00
 52 VAL  HN     23 LYS  C       3.20  9.00e+00
 52 VAL  N      23 LYS  O       3.00  9.00e+00
 52 VAL  N      23 LYS  C       4.20  9.00e+00
 54 CYS  HN     21 CYS  O       1.90  9.00e+00
 54 CYS  HN     21 CYS  C       3.20  9.00e+00
 54 CYS  N      21 CYS  O       3.00  9.00e+00
 54 CYS  N      21 CYS  C       4.20  9.00e+00
 58 LYS  HN      2 LYS  O       1.90  9.00e+00
 58 LYS  HN      2 LYS  C       3.20  9.00e+00
 58 LYS  N       2 LYS  O       3.00  9.00e+00
 58 LYS  N       2 LYS  C       4.20  9.00e+00
 60 ASN  HD21   22 TYR  O       1.90  9.00e+00
 60 ASN  HD21   22 TYR  C       3.20  9.00e+00
 60 ASN  ND2    22 TYR  O       3.00  9.00e+00
 60 ASN  ND2    22 TYR  C       4.20  9.00e+00
 60 ASN  HD22    4 LYS  O       1.90  9.00e+00
 60 ASN  HD22    4 LYS  C       3.20  9.00e+00
 60 ASN  ND2     4 LYS  O       3.00  9.00e+00
 60 ASN  ND2     4 LYS  C       4.20  9.00e+00
#and lower constraints .lol file is after this line
#disulfides lower
 3 CYS  
         CB     21 CYS  SG      3.00                
         SG     21 CYS  CB      3.00                
         SG     21 CYS  SG      2.00                
 14 CYS  
         CB     38 CYS  SG      3.00                
         SG     38 CYS  CB      3.00                
         SG     38 CYS  SG      2.00                
 42 CYS  
         CB     53 CYS  SG      3.00                
         SG     53 CYS  CB      3.00                
         SG     53 CYS  SG      2.00                
 54 CYS  
         CB     59 CYS  SG      3.00                
         SG     59 CYS  CB      3.00                
         SG     59 CYS  SG      2.00
#hydrogen bonds; lower constraints!
  2 LYS  HN     57 ASP  OD1     1.90  9.00e+00
  2 LYS  HN     57 ASP  CG      3.20  9.00e+00
  2 LYS  N      57 ASP  OD1     3.00  9.00e+00
  2 LYS  N      57 ASP  CG      4.20  9.00e+00
  3 CYS  HN     12 LYS  O       1.90  9.00e+00
  3 CYS  HN     12 LYS  C       3.20  9.00e+00
  3 CYS  N      12 LYS  O       3.00  9.00e+00
  3 CYS  N      12 LYS  C       4.20  9.00e+00
  4 LYS  HN     60 ASN  OD1     1.90  9.00e+00
  4 LYS  HN     60 ASN  CG      3.20  9.00e+00
  4 LYS  N      60 ASN  OD1     3.00  9.00e+00
  4 LYS  N      60 ASN  CG      4.20  9.00e+00
  5 LYS  HN     10 PHE  O       1.90  9.00e+00
  5 LYS  HN     10 PHE  C       3.20  9.00e+00
  5 LYS  N      10 PHE  O       3.00  9.00e+00
  5 LYS  N      10 PHE  C       4.20  9.00e+00
  9 LEU  HN      7 VAL  O       1.90  9.00e+00
  9 LEU  HN      7 VAL  C       3.20  9.00e+00
  9 LEU  N       7 VAL  O       3.00  9.00e+00
  9 LEU  N       7 VAL  C       4.20  9.00e+00
 12 LYS  HN      3 CYS  O       1.90  9.00e+00
 12 LYS  HN      3 CYS  C       3.20  9.00e+00
 12 LYS  N       3 CYS  O       3.00  9.00e+00
 12 LYS  N       3 CYS  C       4.20  9.00e+00
 14 CYS  HN      1 LEU  O       1.90  9.00e+00
 14 CYS  HN      1 LEU  C       3.20  9.00e+00
 14 CYS  N       1 LEU  O       3.00  9.00e+00
 14 CYS  N       1 LEU  C       4.20  9.00e+00
 18 LYS   HN     15 PRO  O       1.90  9.00e+00
 18 LYS   HN     15 PRO  C       3.20  9.00e+00
 18 LYS   N      15 PRO  O       3.00  9.00e+00
 18 LYS   N      15 PRO  C       4.20  9.00e+00
 20 LEU  HN     39 ILE  O       1.90  9.00e+00
 20 LEU  HN     39 ILE  C       3.20  9.00e+00
 20 LEU  N      39 ILE  O       3.00  9.00e+00
 20 LEU  N      39 ILE  C       4.20  9.00e+00
 21 CYS  HN     54 CYS  O       1.90  9.00e+00
 21 CYS  HN     54 CYS  C       3.20  9.00e+00
 21 CYS  N      54 CYS  O       3.00  9.00e+00
 21 CYS  N      54 CYS  C       4.20  9.00e+00
 22 TYR  HN     37 GLY  O       1.90  9.00e+00
 22 TYR  HN     37 GLY  C       3.20  9.00e+00
 22 TYR  N      37 GLY  O       3.00  9.00e+00
 22 TYR  N      37 GLY  C       4.20  9.00e+00
 23 LYS  HN     52 VAL  O       1.90  9.00e+00
 23 LYS  HN     52 VAL  C       3.20  9.00e+00
 23 LYS  N      52 VAL  O       3.00  9.00e+00
 23 LYS  N      52 VAL  C       4.20  9.00e+00
 24 MET  HN     35 LYS  O       1.90  9.00e+00
 24 MET  HN     35 LYS  C       3.20  9.00e+00
 24 MET  N      35 LYS  O       3.00  9.00e+00
 24 MET  N      35 LYS  C       4.20  9.00e+00
 25 PHE  HN     50 LYS  O       1.90  9.00e+00
 25 PHE  HN     50 LYS  C       3.20  9.00e+00
 25 PHE  N      50 LYS  O       3.00  9.00e+00
 25 PHE  N      50 LYS  C       4.20  9.00e+00
 26 MET  HN     71 WAT  O       1.90  9.00e+00
 26 MET  N      71 WAT  O       3.00  9.00e+00
 26 MET  HN     71 WATQ H3      0.90  9.00e+00
 26 MET  HN     71 WATQ O       1.90  9.00e+00
 26 MET  N      71 WATQ H3      2.00  9.00e+00
 26 MET  N      71 WATQ O       3.00  9.00e+00
 27 VAL  HN     48 LEU  O       1.90  9.00e+00
 27 VAL  HN     48 LEU  C       3.20  9.00e+00
 27 VAL  N      48 LEU  O       3.00  9.00e+00
 27 VAL  N      48 LEU  C       4.20  9.00e+00
 29 ALA  HN     26 MET  O       1.90  9.00e+00
 29 ALA  HN     26 MET  C       3.20  9.00e+00
 29 ALA  N      26 MET  O       3.00  9.00e+00
 29 ALA  N      26 MET  C       4.20  9.00e+00
 34 VAL  HN     24 MET  O       1.90  9.00e+00
 34 VAL  HN     24 MET  C       3.20  9.00e+00
 34 VAL  N      24 MET  O       3.00  9.00e+00
 34 VAL  N      24 MET  C       4.20  9.00e+00
 35 LYS  HN     24 MET  O       1.90  9.00e+00
 35 LYS  HN     24 MET  C       3.20  9.00e+00
 35 LYS  N      24 MET  O       3.00  9.00e+00
 35 LYS  N      24 MET  C       4.20  9.00e+00
 37 GLY  HN     22 TYR  O       1.90  9.00e+00
 37 GLY  HN     22 TYR  C       3.20  9.00e+00
 37 GLY  N      22 TYR  O       3.00  9.00e+00
 37 GLY  N      22 TYR  C       4.20  9.00e+00
 39 ILE  HN     20 LEU  O       1.90  9.00e+00
 39 ILE  HN     20 LEU  C       3.20  9.00e+00
 39 ILE  N      20 LEU  O       3.00  9.00e+00
 39 ILE  N      20 LEU  C       4.20  9.00e+00
 46 SER  HN     49 VAL  O       1.90  9.00e+00
 46 SER  HN     49 VAL  C       3.20  9.00e+00
 46 SER  N      49 VAL  O       3.00  9.00e+00
 46 SER  N      49 VAL  C       4.20  9.00e+00
 49 VAL  HN     46 SER  OG      1.90  9.00e+00
 49 VAL  HN     46 SER  CB      3.20  9.00e+00
 49 VAL  N      46 SER  OG      3.00  9.00e+00
 49 VAL  N      46 SER  CB      4.20  9.00e+00
 50 LYS  HN     25 PHE  O       1.90  9.00e+00
 50 LYS  HN     25 PHE  C       3.20  9.00e+00
 50 LYS  N      25 PHE  O       3.00  9.00e+00
 50 LYS  N      25 PHE  C       4.20  9.00e+00
 51 TYR  HN     45 SER  OG      1.90  9.00e+00
 51 TYR  HN     45 SER  CB      3.20  9.00e+00
 51 TYR  N      45 SER  OG      3.00  9.00e+00
 51 TYR  N      45 SER  CB      4.20  9.00e+00
 52 VAL  HN     23 LYS  O       1.90  9.00e+00
 52 VAL  HN     23 LYS  C       3.20  9.00e+00
 52 VAL  N      23 LYS  O       3.00  9.00e+00
 52 VAL  N      23 LYS  C       4.20  9.00e+00
 54 CYS  HN     21 CYS  O       1.90  9.00e+00
 54 CYS  HN     21 CYS  C       3.20  9.00e+00
 54 CYS  N      21 CYS  O       3.00  9.00e+00
 54 CYS  N      21 CYS  C       4.20  9.00e+00
 58 LYS  HN      2 LYS  O       1.90  9.00e+00
 58 LYS  HN      2 LYS  C       3.20  9.00e+00
 58 LYS  N       2 LYS  O       3.00  9.00e+00
 58 LYS  N       2 LYS  C       4.20  9.00e+00
 60 ASN  HD21   22 TYR  O       1.90  9.00e+00
 60 ASN  HD21   22 TYR  C       3.20  9.00e+00
 60 ASN  ND2    22 TYR  O       3.00  9.00e+00
 60 ASN  ND2    22 TYR  C       4.20  9.00e+00
 60 ASN  HD22    4 LYS  O       1.90  9.00e+00
 60 ASN  HD22    4 LYS  C       3.20  9.00e+00
 60 ASN  ND2     4 LYS  O       3.00  9.00e+00
 60 ASN  ND2     4 LYS  C       4.20  9.00e+00
         

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    LEU   1           H        LEU   1 -12.146   7.717   0.093
    2    HA   LEU   1           HA       LEU   1 -12.154   6.339  -2.479
    3   1HB   LEU   1          1HB       LEU   1  -9.822   7.486  -1.113
    4   2HB   LEU   1          2HB       LEU   1  -9.641   5.795  -1.534
    5    HG   LEU   1           HG       LEU   1 -10.605   7.741  -3.610
    6   1HD1  LEU   1          1HD1      LEU   1  -8.138   8.032  -2.232
    7   2HD1  LEU   1          2HD1      LEU   1  -7.778   7.405  -3.859
    8   1HD2  LEU   1          1HD2      LEU   1 -10.474   5.139  -3.805
    9   2HD2  LEU   1          2HD2      LEU   1  -9.934   6.167  -5.154
   10    H    LYS   2           H        LYS   2 -12.537   4.165  -2.286
   11    HA   LYS   2           HA       LYS   2 -12.575   3.146   0.469
   12   1HB   LYS   2          1HB       LYS   2 -14.437   1.748  -0.154
   13   2HB   LYS   2          2HB       LYS   2 -14.814   3.415  -0.539
   14   1HG   LYS   2          1HG       LYS   2 -13.643   2.592  -2.902
   15   2HG   LYS   2          2HG       LYS   2 -14.388   1.099  -2.366
   16   1HD   LYS   2          1HD       LYS   2 -16.568   2.360  -2.052
   17   2HD   LYS   2          2HD       LYS   2 -15.800   3.783  -2.729
   18   1HE   LYS   2          1HE       LYS   2 -15.270   1.597  -4.526
   19   2HE   LYS   2          2HE       LYS   2 -16.975   1.536  -4.126
   20   1HZ   LYS   2          1HZ       LYS   2 -16.093   4.182  -4.613
   21   2HZ   LYS   2          2HZ       LYS   2 -15.822   3.213  -5.899
   22    H    CYS   3           H        CYS   3 -10.664   2.076   0.733
   23    HA   CYS   3           HA       CYS   3  -9.856   0.329  -1.471
   24   1HB   CYS   3          1HB       CYS   3  -8.338   1.842   0.611
   25   2HB   CYS   3          2HB       CYS   3  -7.674   0.325   0.037
   26    H    LYS   4           H        LYS   4  -8.445  -1.637  -0.347
   27    HA   LYS   4           HA       LYS   4 -10.377  -2.907   1.416
   28   1HB   LYS   4          1HB       LYS   4  -8.240  -3.845  -0.460
   29   2HB   LYS   4          2HB       LYS   4  -8.677  -4.881   0.884
   30   1HG   LYS   4          1HG       LYS   4 -10.951  -3.680  -0.664
   31   2HG   LYS   4          2HG       LYS   4 -10.002  -4.897  -1.496
   32   1HD   LYS   4          1HD       LYS   4 -10.678  -6.606  -0.080
   33   2HD   LYS   4          2HD       LYS   4 -10.783  -5.557   1.320
   34   1HE   LYS   4          1HE       LYS   4 -13.014  -5.272   1.009
   35   2HE   LYS   4          2HE       LYS   4 -12.758  -4.703  -0.629
   36   1HZ   LYS   4          1HZ       LYS   4 -14.068  -6.819  -0.297
   37   2HZ   LYS   4          2HZ       LYS   4 -12.912  -6.840  -1.450
   38    H    LYS   5           H        LYS   5  -9.746  -3.938   3.414
   39    HA   LYS   5           HA       LYS   5  -7.710  -2.404   4.762
   40   1HB   LYS   5          1HB       LYS   5  -9.843  -4.351   5.633
   41   2HB   LYS   5          2HB       LYS   5  -8.578  -3.842   6.734
   42   1HG   LYS   5          1HG       LYS   5  -9.632  -1.505   5.366
   43   2HG   LYS   5          2HG       LYS   5 -10.968  -2.426   6.028
   44   1HD   LYS   5          1HD       LYS   5 -10.498  -1.399   8.005
   45   2HD   LYS   5          2HD       LYS   5  -9.142  -2.502   8.122
   46   1HE   LYS   5          1HE       LYS   5  -7.713  -0.820   6.887
   47   2HE   LYS   5          2HE       LYS   5  -9.069   0.291   6.882
   48   1HZ   LYS   5          1HZ       LYS   5  -7.495  -0.639   9.146
   49   2HZ   LYS   5          2HZ       LYS   5  -7.942   0.883   8.755
   50    H    LEU   6           H        LEU   6  -6.667  -4.172   6.619
   51    HA   LEU   6           HA       LEU   6  -4.520  -5.233   5.335
   52   1HB   LEU   6          1HB       LEU   6  -5.834  -5.671   7.965
   53   2HB   LEU   6          2HB       LEU   6  -4.621  -6.836   7.472
   54    HG   LEU   6           HG       LEU   6  -3.300  -4.506   6.965
   55   1HD1  LEU   6          1HD1      LEU   6  -3.643  -3.038   8.943
   56   2HD1  LEU   6          2HD1      LEU   6  -5.023  -3.062   7.819
   57   1HD2  LEU   6          1HD2      LEU   6  -3.338  -5.873   9.667
   58   2HD2  LEU   6          2HD2      LEU   6  -2.537  -6.531   8.220
   59    H    VAL   7           H        VAL   7  -7.227  -7.271   6.656
   60    HA   VAL   7           HA       VAL   7  -6.478  -9.352   4.798
   61    HB   VAL   7           HB       VAL   7  -8.622  -9.188   6.926
   62   1HG1  VAL   7          1HG1      VAL   7  -8.967 -11.520   6.668
   63   2HG1  VAL   7          2HG1      VAL   7  -9.001 -10.840   5.023
   64   1HG2  VAL   7          1HG2      VAL   7  -7.024 -10.752   8.144
   65   2HG2  VAL   7          2HG2      VAL   7  -5.797 -10.281   6.943
   66    HA   PRO   8           HA       PRO   8  -9.447  -8.172   1.871
   67   1HB   PRO   8          1HB       PRO   8  -9.420 -10.401   0.289
   68   2HB   PRO   8          2HB       PRO   8  -8.229  -9.121   0.162
   69   1HG   PRO   8          1HG       PRO   8  -7.940 -11.811   1.353
   70   2HG   PRO   8          2HG       PRO   8  -6.688 -10.699   0.837
   71   1HD   PRO   8          1HD       PRO   8  -7.513 -11.223   3.534
   72   2HD   PRO   8          2HD       PRO   8  -6.344 -10.028   3.009
   73    H    LEU   9           H        LEU   9 -10.700  -8.589   4.151
   74    HA   LEU   9           HA       LEU   9 -12.825 -10.452   3.346
   75   1HB   LEU   9          1HB       LEU   9 -11.473  -9.961   5.949
   76   2HB   LEU   9          2HB       LEU   9 -13.195 -10.284   5.983
   77    HG   LEU   9           HG       LEU   9 -11.125 -12.093   4.704
   78   1HD1  LEU   9          1HD1      LEU   9 -10.959 -13.315   6.616
   79   2HD1  LEU   9          2HD1      LEU   9 -11.254 -11.714   7.336
   80   1HD2  LEU   9          1HD2      LEU   9 -13.714 -13.247   5.422
   81   2HD2  LEU   9          2HD2      LEU   9 -13.835 -11.964   4.193
   82    H    PHE  10           H        PHE  10 -11.910  -7.259   4.667
   83    HA   PHE  10           HA       PHE  10 -14.610  -6.365   3.991
   84   1HB   PHE  10          1HB       PHE  10 -12.997  -5.451   6.435
   85   2HB   PHE  10          2HB       PHE  10 -14.693  -5.141   6.123
   86    HD1  PHE  10           1HD      PHE  10 -12.259  -7.690   7.168
   87    HD2  PHE  10           2HD      PHE  10 -16.371  -6.771   6.662
   88    HE1  PHE  10           1HE      PHE  10 -12.877  -9.715   8.517
   89    HE2  PHE  10           2HE      PHE  10 -16.989  -8.796   8.011
   90    HZ   PHE  10           HZ       PHE  10 -15.235 -10.243   8.922
   91    H    SER  11           H        SER  11 -14.709  -3.905   3.816
   92    HA   SER  11           HA       SER  11 -12.098  -2.912   2.977
   93   1HB   SER  11          1HB       SER  11 -13.444  -1.539   1.260
   94   2HB   SER  11          2HB       SER  11 -13.260  -3.251   0.935
   95    HG   SER  11           HG       SER  11 -15.510  -2.724   2.489
   96    H    LYS  12           H        LYS  12 -11.813  -0.542   3.206
   97    HA   LYS  12           HA       LYS  12 -13.849   0.793   4.796
   98   1HB   LYS  12          1HB       LYS  12 -11.661  -0.425   6.035
   99   2HB   LYS  12          2HB       LYS  12 -11.194   1.259   5.913
  100   1HG   LYS  12          1HG       LYS  12 -12.436   1.507   7.822
  101   2HG   LYS  12          2HG       LYS  12 -13.799   1.554   6.722
  102   1HD   LYS  12          1HD       LYS  12 -14.539  -0.543   7.323
  103   2HD   LYS  12          2HD       LYS  12 -12.917  -1.194   7.458
  104   1HE   LYS  12          1HE       LYS  12 -13.091  -1.032   9.714
  105   2HE   LYS  12          2HE       LYS  12 -13.105   0.713   9.551
  106   1HZ   LYS  12          1HZ       LYS  12 -15.628  -0.202   8.900
  107   2HZ   LYS  12          2HZ       LYS  12 -15.200  -0.959  10.283
  108    H    THR  13           H        THR  13 -13.404   3.182   4.938
  109    HA   THR  13           HA       THR  13 -12.108   4.023   2.443
  110    HB   THR  13           HB       THR  13 -14.223   5.296   4.257
  111    HG1  THR  13           1HG      THR  13 -15.378   4.866   2.123
  112   1HG2  THR  13          1HG2      THR  13 -13.588   6.234   1.456
  113   2HG2  THR  13          2HG2      THR  13 -14.310   7.140   2.807
  114    H    CYS  14           H        CYS  14 -10.353   5.324   2.383
  115    HA   CYS  14           HA       CYS  14  -8.976   5.686   4.850
  116   1HB   CYS  14          1HB       CYS  14  -8.113   6.936   2.266
  117   2HB   CYS  14          2HB       CYS  14  -7.137   6.321   3.584
  118    HA   PRO  15           HA       PRO  15 -10.894   9.625   5.395
  119   1HB   PRO  15          1HB       PRO  15 -10.026  10.073   7.947
  120   2HB   PRO  15          2HB       PRO  15 -11.479   9.168   7.575
  121   1HG   PRO  15          1HG       PRO  15  -8.847   8.162   8.468
  122   2HG   PRO  15          2HG       PRO  15 -10.400   7.352   8.501
  123   1HD   PRO  15          1HD       PRO  15  -8.270   6.905   6.632
  124   2HD   PRO  15          2HD       PRO  15  -9.865   6.180   6.596
  125    H    ALA  16           H        ALA  16 -10.227  11.905   6.130
  126    HA   ALA  16           HA       ALA  16  -8.325  12.832   4.482
  127   1HB   ALA  16          1HB       ALA  16  -9.966  14.021   6.127
  128   2HB   ALA  16          2HB       ALA  16  -8.602  13.972   7.269
  129    H    GLY  17           H        GLY  17  -6.073  13.252   4.524
  130   1HA   GLY  17          1HA       GLY  17  -4.005  13.282   5.710
  131   2HA   GLY  17          2HA       GLY  17  -4.586  11.987   6.738
  132    H    LYS  18           H        LYS  18  -5.598  10.072   5.062
  133    HA   LYS  18           HA       LYS  18  -3.241   9.388   3.457
  134   1HB   LYS  18          1HB       LYS  18  -4.284   7.020   3.729
  135   2HB   LYS  18          2HB       LYS  18  -3.391   7.734   5.056
  136   1HG   LYS  18          1HG       LYS  18  -6.357   8.267   4.910
  137   2HG   LYS  18          2HG       LYS  18  -5.838   6.669   5.408
  138   1HD   LYS  18          1HD       LYS  18  -4.209   8.596   6.811
  139   2HD   LYS  18          2HD       LYS  18  -5.880   9.102   6.961
  140   1HE   LYS  18          1HE       LYS  18  -6.270   7.470   8.487
  141   2HE   LYS  18          2HE       LYS  18  -5.803   6.241   7.328
  142   1HZ   LYS  18          1HZ       LYS  18  -4.281   7.387   9.454
  143   2HZ   LYS  18          2HZ       LYS  18  -4.134   5.927   8.737
  144    H    ASN  19           H        ASN  19  -3.753  10.415   1.506
  145    HA   ASN  19           HA       ASN  19  -6.353   9.817   0.402
  146   1HB   ASN  19          1HB       ASN  19  -4.086  11.702  -0.384
  147   2HB   ASN  19          2HB       ASN  19  -5.410  11.384  -1.487
  148   1HD2  ASN  19          1HD2      ASN  19  -7.260  12.437  -1.276
  149   2HD2  ASN  19          2HD2      ASN  19  -7.701  13.490   0.027
  150    H    LEU  20           H        LEU  20  -3.559   8.167   0.685
  151    HA   LEU  20           HA       LEU  20  -3.817   6.983  -1.970
  152   1HB   LEU  20          1HB       LEU  20  -1.184   7.759  -0.706
  153   2HB   LEU  20          2HB       LEU  20  -1.380   6.829  -2.179
  154    HG   LEU  20           HG       LEU  20  -2.844   9.297  -2.425
  155   1HD1  LEU  20          1HD1      LEU  20  -0.813   9.727  -0.674
  156   2HD1  LEU  20          2HD1      LEU  20   0.010  10.028  -2.223
  157   1HD2  LEU  20          1HD2      LEU  20  -1.764   9.447  -4.478
  158   2HD2  LEU  20          2HD2      LEU  20  -0.308   8.608  -3.891
  159    H    CYS  21           H        CYS  21  -3.929   4.784  -1.893
  160    HA   CYS  21           HA       CYS  21  -3.778   3.606   0.730
  161   1HB   CYS  21          1HB       CYS  21  -4.494   2.306  -1.905
  162   2HB   CYS  21          2HB       CYS  21  -4.742   1.641  -0.303
  163    H    TYR  22           H        TYR  22  -2.239   2.010   1.350
  164    HA   TYR  22           HA       TYR  22  -0.043   1.624  -0.572
  165   1HB   TYR  22          1HB       TYR  22   1.430   1.831   1.370
  166   2HB   TYR  22          2HB       TYR  22   0.275   3.139   1.532
  167    HD1  TYR  22           1HD      TYR  22   1.236  -0.199   2.804
  168    HD2  TYR  22           2HD      TYR  22  -1.311   3.195   3.349
  169    HE1  TYR  22           1HE      TYR  22   0.600  -1.038   5.118
  170    HE2  TYR  22           2HE      TYR  22  -1.937   2.345   5.661
  171    HH   TYR  22           HH       TYR  22  -0.976  -0.827   6.736
  172    H    LYS  23           H        LYS  23   1.141  -0.421  -0.374
  173    HA   LYS  23           HA       LYS  23  -0.270  -2.479   1.135
  174   1HB   LYS  23          1HB       LYS  23  -0.473  -3.948  -0.746
  175   2HB   LYS  23          2HB       LYS  23  -1.251  -2.431  -1.150
  176   1HG   LYS  23          1HG       LYS  23   1.363  -1.984  -2.002
  177   2HG   LYS  23          2HG       LYS  23   1.157  -3.691  -2.340
  178   1HD   LYS  23          1HD       LYS  23  -1.151  -1.967  -3.127
  179   2HD   LYS  23          2HD       LYS  23   0.329  -1.668  -4.016
  180   1HE   LYS  23          1HE       LYS  23   0.154  -4.485  -3.913
  181   2HE   LYS  23          2HE       LYS  23  -1.501  -3.968  -4.169
  182   1HZ   LYS  23          1HZ       LYS  23  -0.628  -2.557  -5.985
  183   2HZ   LYS  23          2HZ       LYS  23   0.831  -3.269  -5.808
  184    H    MET  24           H        MET  24   1.174  -3.597   2.325
  185    HA   MET  24           HA       MET  24   3.942  -3.448   1.431
  186   1HB   MET  24          1HB       MET  24   2.636  -3.903   4.166
  187   2HB   MET  24          2HB       MET  24   4.355  -4.122   3.910
  188   1HG   MET  24          1HG       MET  24   4.751  -1.834   3.598
  189   2HG   MET  24          2HG       MET  24   3.145  -1.528   2.967
  190   1HE   MET  24          1HE       MET  24   4.621   0.164   4.627
  191   2HE   MET  24          2HE       MET  24   3.559   0.704   5.949
  192    H    PHE  25           H        PHE  25   4.874  -5.276   0.622
  193    HA   PHE  25           HA       PHE  25   3.918  -7.837   1.639
  194   1HB   PHE  25          1HB       PHE  25   3.495  -8.625  -0.595
  195   2HB   PHE  25          2HB       PHE  25   2.849  -6.996  -0.629
  196    HD1  PHE  25           1HD      PHE  25   4.260  -5.153  -1.629
  197    HD2  PHE  25           2HD      PHE  25   5.259  -9.258  -2.028
  198    HE1  PHE  25           1HE      PHE  25   5.752  -4.602  -3.572
  199    HE2  PHE  25           2HE      PHE  25   6.751  -8.707  -3.971
  200    HZ   PHE  25           HZ       PHE  25   6.979  -6.385  -4.719
  201    H    MET  26           H        MET  26   5.464  -9.598   1.353
  202    HA   MET  26           HA       MET  26   8.148  -8.549   1.302
  203   1HB   MET  26          1HB       MET  26   6.969 -11.298   1.987
  204   2HB   MET  26          2HB       MET  26   8.678 -10.930   2.105
  205   1HG   MET  26          1HG       MET  26   8.376  -9.444   3.922
  206   2HG   MET  26          2HG       MET  26   6.700  -9.128   3.523
  207   1HE   MET  26          1HE       MET  26   9.223 -10.804   5.270
  208   2HE   MET  26          2HE       MET  26   8.401 -11.840   6.462
  209    H    VAL  27           H        VAL  27   9.867  -9.492  -0.011
  210    HA   VAL  27           HA       VAL  27   9.114  -9.917  -2.659
  211    HB   VAL  27           HB       VAL  27  11.271  -9.017  -1.827
  212   1HG1  VAL  27          1HG1      VAL  27  11.378 -11.151  -0.170
  213   2HG1  VAL  27          2HG1      VAL  27  12.417 -11.738  -1.490
  214   1HG2  VAL  27          1HG2      VAL  27  12.531  -9.786  -3.651
  215   2HG2  VAL  27          2HG2      VAL  27  11.819 -11.416  -3.579
  216    H    ALA  28           H        ALA  28   8.976 -12.001   0.070
  217    HA   ALA  28           HA       ALA  28   9.699 -14.448  -0.678
  218   1HB   ALA  28          1HB       ALA  28   8.076 -13.379   1.250
  219   2HB   ALA  28          2HB       ALA  28   6.900 -14.320   0.301
  220    H    ALA  29           H        ALA  29   6.876 -12.615  -1.957
  221    HA   ALA  29           HA       ALA  29   6.919 -14.324  -4.290
  222   1HB   ALA  29          1HB       ALA  29   4.171 -14.116  -3.579
  223   2HB   ALA  29          2HB       ALA  29   5.166 -15.588  -3.682
  224    HA   PRO  30           HA       PRO  30   5.849 -10.525  -6.058
  225   1HB   PRO  30          1HB       PRO  30   4.842 -11.305  -8.475
  226   2HB   PRO  30          2HB       PRO  30   6.559 -11.205  -8.140
  227   1HG   PRO  30          1HG       PRO  30   4.848 -13.607  -8.354
  228   2HG   PRO  30          2HG       PRO  30   6.594 -13.491  -8.445
  229   1HD   PRO  30          1HD       PRO  30   5.050 -14.417  -6.212
  230   2HD   PRO  30          2HD       PRO  30   6.787 -14.191  -6.264
  231    H    HIS  31           H        HIS  31   3.465 -12.855  -5.417
  232    HA   HIS  31           HA       HIS  31   1.542 -10.674  -5.281
  233   1HB   HIS  31          1HB       HIS  31   1.295 -11.938  -7.460
  234   2HB   HIS  31          2HB       HIS  31   0.867 -13.353  -6.518
  235    HD1  HIS  31           1HD      HIS  31  -1.420 -12.982  -8.044
  236    HD2  HIS  31           2HD      HIS  31  -0.733 -10.308  -4.885
  237    HE1  HIS  31           1HE      HIS  31  -3.662 -11.868  -7.549
  238    H    VAL  32           H        VAL  32   2.523 -11.067  -2.999
  239    HA   VAL  32           HA       VAL  32   0.606 -12.667  -1.581
  240    HB   VAL  32           HB       VAL  32   3.526 -13.393  -1.705
  241   1HG1  VAL  32          1HG1      VAL  32   3.567 -13.794   0.490
  242   2HG1  VAL  32          2HG1      VAL  32   1.858 -13.324   0.654
  243   1HG2  VAL  32          1HG2      VAL  32   2.272 -14.663  -3.246
  244   2HG2  VAL  32          2HG2      VAL  32   2.452 -15.721  -1.826
  245    HA   PRO  33           HA       PRO  33   1.778  -8.887   0.499
  246   1HB   PRO  33          1HB       PRO  33  -0.747  -8.122   1.211
  247   2HB   PRO  33          2HB       PRO  33   0.027  -7.607  -0.275
  248   1HG   PRO  33          1HG       PRO  33  -2.106  -9.619   0.103
  249   2HG   PRO  33          2HG       PRO  33  -1.624  -8.792  -1.365
  250   1HD   PRO  33          1HD       PRO  33  -1.002 -11.495  -0.634
  251   2HD   PRO  33          2HD       PRO  33  -0.425 -10.631  -2.045
  252    H    VAL  34           H        VAL  34   1.747  -8.152   2.735
  253    HA   VAL  34           HA       VAL  34   1.142 -10.471   4.435
  254    HB   VAL  34           HB       VAL  34   3.513  -9.966   4.253
  255   1HG1  VAL  34          1HG1      VAL  34   2.657  -7.187   5.080
  256   2HG1  VAL  34          2HG1      VAL  34   4.321  -7.773   5.315
  257   1HG2  VAL  34          1HG2      VAL  34   3.354 -10.827   6.332
  258   2HG2  VAL  34          2HG2      VAL  34   3.686  -9.160   6.861
  259    H    LYS  35           H        LYS  35   0.866  -6.938   3.941
  260    HA   LYS  35           HA       LYS  35  -1.515  -6.857   5.449
  261   1HB   LYS  35          1HB       LYS  35  -0.856  -5.578   7.350
  262   2HB   LYS  35          2HB       LYS  35   0.143  -7.017   7.312
  263   1HG   LYS  35          1HG       LYS  35   2.033  -5.781   6.391
  264   2HG   LYS  35          2HG       LYS  35   1.045  -4.361   6.112
  265   1HD   LYS  35          1HD       LYS  35   1.230  -5.451   8.925
  266   2HD   LYS  35          2HD       LYS  35   2.598  -4.562   8.285
  267   1HE   LYS  35          1HE       LYS  35   0.362  -2.993   7.562
  268   2HE   LYS  35          2HE       LYS  35  -0.018  -3.558   9.177
  269   1HZ   LYS  35          1HZ       LYS  35   1.230  -1.699   9.552
  270   2HZ   LYS  35          2HZ       LYS  35   2.378  -2.855   9.668
  271    H    ARG  36           H        ARG  36  -2.589  -4.838   5.166
  272    HA   ARG  36           HA       ARG  36  -1.173  -2.821   3.528
  273   1HB   ARG  36          1HB       ARG  36  -3.839  -4.068   2.753
  274   2HB   ARG  36          2HB       ARG  36  -2.968  -2.787   1.877
  275   1HG   ARG  36          1HG       ARG  36  -1.034  -4.371   1.601
  276   2HG   ARG  36          2HG       ARG  36  -2.030  -5.649   2.336
  277   1HD   ARG  36          1HD       ARG  36  -3.023  -4.052  -0.037
  278   2HD   ARG  36          2HD       ARG  36  -1.978  -5.472  -0.259
  279    HE   ARG  36           HE       ARG  36  -4.322  -5.911   1.445
  280   1HH1  ARG  36          1HH1      ARG  36  -5.770  -7.965  -1.030
  281   2HH1  ARG  36          2HH1      ARG  36  -5.861  -7.432   0.634
  282   1HH2  ARG  36          1HH2      ARG  36  -4.106  -7.144  -2.422
  283   2HH2  ARG  36          2HH2      ARG  36  -2.941  -5.992  -1.809
  284    H    GLY  37           H        GLY  37  -2.618  -0.810   3.244
  285   1HA   GLY  37          1HA       GLY  37  -4.822  -0.403   4.958
  286   2HA   GLY  37          2HA       GLY  37  -3.361   0.141   5.759
  287    H    CYS  38           H        CYS  38  -4.095   2.365   5.657
  288    HA   CYS  38           HA       CYS  38  -3.833   3.469   2.956
  289   1HB   CYS  38          1HB       CYS  38  -5.702   4.370   5.156
  290   2HB   CYS  38          2HB       CYS  38  -5.389   5.278   3.690
  291    H    ILE  39           H        ILE  39  -2.561   5.402   2.820
  292    HA   ILE  39           HA       ILE  39  -1.569   6.558   5.271
  293    HB   ILE  39           HB       ILE  39  -0.160   4.466   4.455
  294   1HG1  ILE  39          1HG1      ILE  39   1.891   6.111   5.250
  295   2HG1  ILE  39          2HG1      ILE  39   0.493   6.977   5.855
  296   1HG2  ILE  39          1HG2      ILE  39   1.798   5.251   3.123
  297   2HG2  ILE  39          2HG2      ILE  39   0.271   5.187   2.210
  298   1HD1  ILE  39          1HD1      ILE  39  -0.322   4.868   6.949
  299   2HD1  ILE  39          2HD1      ILE  39   1.152   4.044   6.387
  300    H    ASP  40           H        ASP  40   0.217   8.306   4.456
  301    HA   ASP  40           HA       ASP  40  -1.156   9.754   2.247
  302   1HB   ASP  40          1HB       ASP  40  -0.993  10.692   4.657
  303   2HB   ASP  40          2HB       ASP  40   0.725  10.957   4.288
  304    HD2  ASP  40           HD       ASP  40  -0.618  13.993   3.196
  305    H    VAL  41           H        VAL  41   2.104   9.071   3.687
  306    HA   VAL  41           HA       VAL  41   3.207   9.581   1.012
  307    HB   VAL  41           HB       VAL  41   3.889  11.094   2.892
  308   1HG1  VAL  41          1HG1      VAL  41   5.687  10.077   4.422
  309   2HG1  VAL  41          2HG1      VAL  41   3.986   9.707   4.794
  310   1HG2  VAL  41          1HG2      VAL  41   5.254  10.658   0.824
  311   2HG2  VAL  41          2HG2      VAL  41   6.198  11.170   2.244
  312    H    CYS  42           H        CYS  42   4.699   8.065   0.136
  313    HA   CYS  42           HA       CYS  42   4.299   5.413   1.213
  314   1HB   CYS  42          1HB       CYS  42   4.436   6.439  -1.357
  315   2HB   CYS  42          2HB       CYS  42   5.988   5.648  -1.162
  316    HA   PRO  43           HA       PRO  43   8.262   5.539   3.058
  317   1HB   PRO  43          1HB       PRO  43   8.467   2.921   3.813
  318   2HB   PRO  43          2HB       PRO  43   7.599   4.122   4.748
  319   1HG   PRO  43          1HG       PRO  43   6.516   1.972   3.033
  320   2HG   PRO  43          2HG       PRO  43   5.705   2.891   4.285
  321   1HD   PRO  43          1HD       PRO  43   5.440   3.245   1.451
  322   2HD   PRO  43          2HD       PRO  43   4.720   4.238   2.703
  323    H    LYS  44           H        LYS  44  10.487   4.584   2.984
  324    HA   LYS  44           HA       LYS  44  11.202   4.422   0.272
  325   1HB   LYS  44          1HB       LYS  44  12.732   5.354   1.854
  326   2HB   LYS  44          2HB       LYS  44  12.704   3.912   2.849
  327   1HG   LYS  44          1HG       LYS  44  14.724   3.711   1.612
  328   2HG   LYS  44          2HG       LYS  44  13.613   2.642   0.779
  329   1HD   LYS  44          1HD       LYS  44  13.251   4.214  -1.002
  330   2HD   LYS  44          2HD       LYS  44  13.935   5.541  -0.084
  331   1HE   LYS  44          1HE       LYS  44  15.910   5.113  -1.123
  332   2HE   LYS  44          2HE       LYS  44  16.023   3.661  -0.148
  333   1HZ   LYS  44          1HZ       LYS  44  15.952   2.616  -2.080
  334   2HZ   LYS  44          2HZ       LYS  44  14.355   2.953  -2.136
  335    H    SER  45           H        SER  45  11.789   2.674  -1.041
  336    HA   SER  45           HA       SER  45  10.697   0.172  -0.105
  337   1HB   SER  45          1HB       SER  45  11.214   1.445  -2.752
  338   2HB   SER  45          2HB       SER  45  11.457  -0.290  -2.706
  339    HG   SER  45           HG       SER  45   9.339  -0.523  -2.764
  340    H    SER  46           H        SER  46  11.963  -1.611   0.399
  341    HA   SER  46           HA       SER  46  14.817  -1.260  -0.074
  342   1HB   SER  46          1HB       SER  46  15.263  -2.392   1.945
  343   2HB   SER  46          2HB       SER  46  13.862  -1.417   2.339
  344    HG   SER  46           HG       SER  46  13.510  -3.541   3.104
  345    H    LEU  47           H        LEU  47  15.953  -3.620  -0.046
  346    HA   LEU  47           HA       LEU  47  14.864  -4.963  -2.302
  347   1HB   LEU  47          1HB       LEU  47  17.281  -5.252  -0.564
  348   2HB   LEU  47          2HB       LEU  47  16.832  -6.569  -1.630
  349    HG   LEU  47           HG       LEU  47  17.271  -3.730  -2.586
  350   1HD1  LEU  47          1HD1      LEU  47  19.411  -4.147  -1.961
  351   2HD1  LEU  47          2HD1      LEU  47  19.211  -5.914  -2.024
  352   1HD2  LEU  47          1HD2      LEU  47  15.894  -5.006  -4.093
  353   2HD2  LEU  47          2HD2      LEU  47  17.518  -4.829  -4.800
  354    H    LEU  48           H        LEU  48  15.226  -5.717   1.216
  355    HA   LEU  48           HA       LEU  48  14.238  -8.289   1.131
  356   1HB   LEU  48          1HB       LEU  48  15.284  -6.796   3.024
  357   2HB   LEU  48          2HB       LEU  48  13.608  -6.458   3.410
  358    HG   LEU  48           HG       LEU  48  13.609  -9.210   3.199
  359   1HD1  LEU  48          1HD1      LEU  48  16.345  -8.329   3.760
  360   2HD1  LEU  48          2HD1      LEU  48  15.690  -9.437   4.990
  361   1HD2  LEU  48          1HD2      LEU  48  13.264  -7.194   5.214
  362   2HD2  LEU  48          2HD2      LEU  48  12.540  -8.816   5.100
  363    H    VAL  49           H        VAL  49  12.361  -5.305   2.032
  364    HA   VAL  49           HA       VAL  49  10.010  -6.670   0.912
  365    HB   VAL  49           HB       VAL  49   8.677  -5.509   2.560
  366   1HG1  VAL  49          1HG1      VAL  49   9.979  -7.719   3.044
  367   2HG1  VAL  49          2HG1      VAL  49  10.930  -6.709   4.160
  368   1HG2  VAL  49          1HG2      VAL  49  10.194  -4.441   4.503
  369   2HG2  VAL  49          2HG2      VAL  49  11.238  -4.085   3.105
  370    H    LYS  50           H        LYS  50   8.378  -5.214  -0.073
  371    HA   LYS  50           HA       LYS  50   9.511  -2.646  -0.896
  372   1HB   LYS  50          1HB       LYS  50   8.897  -4.977  -2.619
  373   2HB   LYS  50          2HB       LYS  50   8.272  -3.442  -3.188
  374   1HG   LYS  50          1HG       LYS  50  10.561  -2.432  -2.927
  375   2HG   LYS  50          2HG       LYS  50  11.175  -3.988  -2.405
  376   1HD   LYS  50          1HD       LYS  50  11.343  -4.737  -4.544
  377   2HD   LYS  50          2HD       LYS  50   9.690  -4.283  -4.905
  378   1HE   LYS  50          1HE       LYS  50  10.312  -2.053  -5.532
  379   2HE   LYS  50          2HE       LYS  50  11.879  -2.177  -4.757
  380   1HZ   LYS  50          1HZ       LYS  50  12.376  -3.949  -6.402
  381   2HZ   LYS  50          2HZ       LYS  50  11.000  -3.558  -7.189
  382    H    TYR  51           H        TYR  51   7.889  -1.064  -1.522
  383    HA   TYR  51           HA       TYR  51   5.180  -1.819  -0.666
  384   1HB   TYR  51          1HB       TYR  51   6.594   0.877  -0.253
  385   2HB   TYR  51          2HB       TYR  51   5.124   0.335   0.533
  386    HD1  TYR  51           1HD      TYR  51   5.894  -2.380   1.460
  387    HD2  TYR  51           2HD      TYR  51   8.102   1.284   1.488
  388    HE1  TYR  51           1HE      TYR  51   7.263  -3.212   3.434
  389    HE2  TYR  51           2HE      TYR  51   9.464   0.439   3.462
  390    HH   TYR  51           HH       TYR  51   9.206  -1.153   5.274
  391    H    VAL  52           H        VAL  52   3.457  -0.808  -1.782
  392    HA   VAL  52           HA       VAL  52   4.281   0.877  -4.037
  393    HB   VAL  52           HB       VAL  52   2.462  -1.530  -4.036
  394   1HG1  VAL  52          1HG1      VAL  52   2.698   0.707  -6.063
  395   2HG1  VAL  52          2HG1      VAL  52   2.088  -0.912  -6.483
  396   1HG2  VAL  52          1HG2      VAL  52   3.941  -2.429  -5.677
  397   2HG2  VAL  52          2HG2      VAL  52   4.798  -0.879  -5.854
  398    H    CYS  53           H        CYS  53   2.867   2.580  -4.541
  399    HA   CYS  53           HA       CYS  53   0.591   2.819  -2.710
  400   1HB   CYS  53          1HB       CYS  53   2.715   4.807  -3.418
  401   2HB   CYS  53          2HB       CYS  53   1.094   5.378  -3.076
  402    H    CYS  54           H        CYS  54  -1.266   4.001  -3.642
  403    HA   CYS  54           HA       CYS  54  -1.166   4.789  -6.370
  404   1HB   CYS  54          1HB       CYS  54  -3.168   3.044  -6.778
  405   2HB   CYS  54          2HB       CYS  54  -1.504   2.764  -7.251
  406    H    ASN  55           H        ASN  55  -2.956   6.168  -6.805
  407    HA   ASN  55           HA       ASN  55  -4.650   6.586  -4.482
  408   1HB   ASN  55          1HB       ASN  55  -5.143   8.820  -5.676
  409   2HB   ASN  55          2HB       ASN  55  -3.500   8.617  -5.101
  410   1HD2  ASN  55          1HD2      ASN  55  -1.821   8.283  -6.521
  411   2HD2  ASN  55          2HD2      ASN  55  -1.940   8.554  -8.228
  412    H    THR  56           H        THR  56  -5.727   4.476  -5.529
  413    HA   THR  56           HA       THR  56  -7.938   5.423  -7.177
  414    HB   THR  56           HB       THR  56  -7.611   3.438  -8.708
  415    HG1  THR  56           1HG      THR  56  -6.259   2.021  -7.632
  416   1HG2  THR  56          1HG2      THR  56  -5.609   4.250  -9.912
  417   2HG2  THR  56          2HG2      THR  56  -6.563   5.648  -9.359
  418    H    ASP  57           H        ASP  57  -9.688   3.729  -7.285
  419    HA   ASP  57           HA       ASP  57 -10.281   2.890  -4.606
  420   1HB   ASP  57          1HB       ASP  57 -11.572   2.859  -7.277
  421   2HB   ASP  57          2HB       ASP  57 -12.087   1.570  -6.169
  422    HD2  ASP  57           HD       ASP  57 -13.950   4.721  -5.614
  423    H    LYS  58           H        LYS  58 -10.138   0.899  -3.613
  424    HA   LYS  58           HA       LYS  58  -9.068  -1.029  -3.226
  425   1HB   LYS  58          1HB       LYS  58 -10.029  -2.898  -4.496
  426   2HB   LYS  58          2HB       LYS  58 -11.251  -1.740  -4.010
  427   1HG   LYS  58          1HG       LYS  58 -11.158  -0.692  -6.285
  428   2HG   LYS  58          2HG       LYS  58  -9.944  -1.858  -6.770
  429   1HD   LYS  58          1HD       LYS  58 -11.648  -3.696  -6.129
  430   2HD   LYS  58          2HD       LYS  58 -12.840  -2.419  -6.003
  431   1HE   LYS  58          1HE       LYS  58 -12.552  -1.808  -8.350
  432   2HE   LYS  58          2HE       LYS  58 -11.155  -2.854  -8.511
  433   1HZ   LYS  58          1HZ       LYS  58 -12.527  -4.477  -9.018
  434   2HZ   LYS  58          2HZ       LYS  58 -13.248  -4.388  -7.555
  435    H    CYS  59           H        CYS  59  -7.147   0.569  -4.152
  436    HA   CYS  59           HA       CYS  59  -5.960  -0.606  -6.500
  437   1HB   CYS  59          1HB       CYS  59  -4.673   1.236  -6.630
  438   2HB   CYS  59          2HB       CYS  59  -5.962   1.909  -5.652
  439    H    ASN  60           H        ASN  60  -5.386  -0.293  -2.936
  440    HA   ASN  60           HA       ASN  60  -3.100  -1.995  -3.116
  441   1HB   ASN  60          1HB       ASN  60  -2.834  -1.558  -0.754
  442   2HB   ASN  60          2HB       ASN  60  -3.402  -0.052  -1.448
  443   1HD2  ASN  60          1HD2      ASN  60  -3.612  -0.862   1.262
  444   2HD2  ASN  60          2HD2      ASN  60  -5.287  -0.963   1.690
  445   1H    HOH  61          1H        HOH  61   5.551 -11.197   2.498
  446   2H    HOH  61          2H        HOH  61   4.224 -11.413   1.804
  447   1H    HOH  62          1H        HOH  62   8.076 -16.486  -6.546
  448   2H    HOH  62          2H        HOH  62   7.757 -17.326  -5.328
  Start of MODEL    2
    1    H    LEU   1           H        LEU   1 -12.315   8.402  -1.327
    2    HA   LEU   1           HA       LEU   1 -10.371   6.511  -1.759
    3   1HB   LEU   1          1HB       LEU   1 -11.116   8.383   0.401
    4   2HB   LEU   1          2HB       LEU   1 -10.087   7.049   0.882
    5    HG   LEU   1           HG       LEU   1  -8.753   8.994   0.338
    6   1HD1  LEU   1          1HD1      LEU   1  -7.870   7.615  -2.008
    7   2HD1  LEU   1          2HD1      LEU   1  -7.173   7.612  -0.370
    8   1HD2  LEU   1          1HD2      LEU   1  -9.586   8.893  -2.545
    9   2HD2  LEU   1          2HD2      LEU   1 -10.546   9.818  -1.366
   10    H    LYS   2           H        LYS   2 -11.891   4.636  -2.254
   11    HA   LYS   2           HA       LYS   2 -12.485   3.225   0.255
   12   1HB   LYS   2          1HB       LYS   2 -14.075   3.639  -2.199
   13   2HB   LYS   2          2HB       LYS   2 -14.030   1.980  -1.635
   14   1HG   LYS   2          1HG       LYS   2 -15.466   2.471   0.047
   15   2HG   LYS   2          2HG       LYS   2 -14.370   3.688   0.670
   16   1HD   LYS   2          1HD       LYS   2 -15.310   5.393  -0.822
   17   2HD   LYS   2          2HD       LYS   2 -16.280   4.196  -1.656
   18   1HE   LYS   2          1HE       LYS   2 -16.587   4.600   1.340
   19   2HE   LYS   2          2HE       LYS   2 -17.403   5.668   0.216
   20   1HZ   LYS   2          1HZ       LYS   2 -18.303   3.269   1.022
   21   2HZ   LYS   2          2HZ       LYS   2 -18.846   4.086  -0.283
   22    H    CYS   3           H        CYS   3 -10.884   1.791   0.649
   23    HA   CYS   3           HA       CYS   3 -10.009   0.191  -1.638
   24   1HB   CYS   3          1HB       CYS   3  -8.306   1.597   0.402
   25   2HB   CYS   3          2HB       CYS   3  -7.743   0.129  -0.374
   26    H    LYS   4           H        LYS   4  -8.484  -1.702  -0.367
   27    HA   LYS   4           HA       LYS   4 -10.435  -2.906   1.432
   28   1HB   LYS   4          1HB       LYS   4  -8.287  -3.944  -0.385
   29   2HB   LYS   4          2HB       LYS   4  -8.775  -4.916   0.988
   30   1HG   LYS   4          1HG       LYS   4 -11.243  -4.304   0.094
   31   2HG   LYS   4          2HG       LYS   4 -10.388  -4.082  -1.420
   32   1HD   LYS   4          1HD       LYS   4  -9.506  -6.543  -0.101
   33   2HD   LYS   4          2HD       LYS   4 -11.249  -6.538  -0.284
   34   1HE   LYS   4          1HE       LYS   4  -9.971  -5.540  -2.721
   35   2HE   LYS   4          2HE       LYS   4  -9.316  -7.107  -2.289
   36   1HZ   LYS   4          1HZ       LYS   4 -11.432  -8.045  -2.338
   37   2HZ   LYS   4          2HZ       LYS   4 -12.202  -6.605  -2.330
   38    H    LYS   5           H        LYS   5  -9.761  -3.896   3.455
   39    HA   LYS   5           HA       LYS   5  -7.703  -2.297   4.714
   40   1HB   LYS   5          1HB       LYS   5  -9.845  -4.170   5.731
   41   2HB   LYS   5          2HB       LYS   5  -8.584  -3.551   6.778
   42   1HG   LYS   5          1HG       LYS   5  -9.902  -1.477   5.094
   43   2HG   LYS   5          2HG       LYS   5 -10.970  -2.253   6.246
   44   1HD   LYS   5          1HD       LYS   5  -8.251  -1.117   7.035
   45   2HD   LYS   5          2HD       LYS   5  -9.723  -0.166   7.088
   46   1HE   LYS   5          1HE       LYS   5 -10.745  -1.889   8.626
   47   2HE   LYS   5          2HE       LYS   5  -9.230  -2.769   8.614
   48   1HZ   LYS   5          1HZ       LYS   5  -8.790  -0.058   9.208
   49   2HZ   LYS   5          2HZ       LYS   5  -9.894  -0.682  10.237
   50    H    LEU   6           H        LEU   6  -6.692  -3.987   6.663
   51    HA   LEU   6           HA       LEU   6  -4.557  -5.136   5.490
   52   1HB   LEU   6          1HB       LEU   6  -5.986  -5.525   8.064
   53   2HB   LEU   6          2HB       LEU   6  -4.793  -6.732   7.629
   54    HG   LEU   6           HG       LEU   6  -3.279  -4.588   7.193
   55   1HD1  LEU   6          1HD1      LEU   6  -5.034  -3.564   9.427
   56   2HD1  LEU   6          2HD1      LEU   6  -3.727  -2.723   8.559
   57   1HD2  LEU   6          1HD2      LEU   6  -2.121  -5.348   8.945
   58   2HD2  LEU   6          2HD2      LEU   6  -3.462  -5.060  10.080
   59    H    VAL   7           H        VAL   7  -7.356  -7.117   6.701
   60    HA   VAL   7           HA       VAL   7  -6.562  -9.236   4.915
   61    HB   VAL   7           HB       VAL   7  -8.782  -8.931   6.944
   62   1HG1  VAL   7          1HG1      VAL   7  -8.869 -10.644   4.808
   63   2HG1  VAL   7          2HG1      VAL   7  -8.067 -11.648   6.039
   64   1HG2  VAL   7          1HG2      VAL   7  -6.475  -9.013   7.855
   65   2HG2  VAL   7          2HG2      VAL   7  -7.450 -10.427   8.322
   66    HA   PRO   8           HA       PRO   8  -9.256  -7.950   1.767
   67   1HB   PRO   8          1HB       PRO   8  -9.048 -10.124   0.125
   68   2HB   PRO   8          2HB       PRO   8  -7.877  -8.821   0.142
   69   1HG   PRO   8          1HG       PRO   8  -7.637 -11.543   1.271
   70   2HG   PRO   8          2HG       PRO   8  -6.368 -10.393   0.900
   71   1HD   PRO   8          1HD       PRO   8  -7.412 -11.019   3.498
   72   2HD   PRO   8          2HD       PRO   8  -6.226  -9.787   3.114
   73    H    LEU   9           H        LEU   9 -10.695  -8.459   3.914
   74    HA   LEU   9           HA       LEU   9 -12.702 -10.337   2.873
   75   1HB   LEU   9          1HB       LEU   9 -11.713  -9.804   5.653
   76   2HB   LEU   9          2HB       LEU   9 -13.348 -10.381   5.398
   77    HG   LEU   9           HG       LEU   9 -10.849 -11.797   4.429
   78   1HD1  LEU   9          1HD1      LEU   9 -10.608 -12.701   6.438
   79   2HD1  LEU   9          2HD1      LEU   9 -11.882 -11.620   7.051
   80   1HD2  LEU   9          1HD2      LEU   9 -12.420 -12.627   3.004
   81   2HD2  LEU   9          2HD2      LEU   9 -12.688 -13.713   4.389
   82    H    PHE  10           H        PHE  10 -11.971  -7.160   4.337
   83    HA   PHE  10           HA       PHE  10 -14.627  -6.307   3.464
   84   1HB   PHE  10          1HB       PHE  10 -13.228  -5.399   6.038
   85   2HB   PHE  10          2HB       PHE  10 -14.905  -5.130   5.603
   86    HD1  PHE  10           1HD      PHE  10 -12.482  -7.651   6.756
   87    HD2  PHE  10           2HD      PHE  10 -16.573  -6.792   6.025
   88    HE1  PHE  10           1HE      PHE  10 -13.142  -9.714   8.024
   89    HE2  PHE  10           2HE      PHE  10 -17.233  -8.856   7.293
   90    HZ   PHE  10           HZ       PHE  10 -15.509 -10.292   8.277
   91    H    SER  11           H        SER  11 -14.734  -3.778   3.516
   92    HA   SER  11           HA       SER  11 -12.101  -2.756   2.797
   93   1HB   SER  11          1HB       SER  11 -13.409  -1.303   1.090
   94   2HB   SER  11          2HB       SER  11 -13.124  -2.984   0.683
   95    HG   SER  11           HG       SER  11 -15.334  -3.365   1.711
   96    H    LYS  12           H        LYS  12 -11.793  -0.442   3.216
   97    HA   LYS  12           HA       LYS  12 -13.916   0.776   4.819
   98   1HB   LYS  12          1HB       LYS  12 -11.680  -0.372   5.977
   99   2HB   LYS  12          2HB       LYS  12 -11.212   1.310   5.831
  100   1HG   LYS  12          1HG       LYS  12 -13.499   1.909   6.863
  101   2HG   LYS  12          2HG       LYS  12 -13.693   0.204   7.217
  102   1HD   LYS  12          1HD       LYS  12 -11.173   0.611   8.224
  103   2HD   LYS  12          2HD       LYS  12 -11.856   2.206   8.468
  104   1HE   LYS  12          1HE       LYS  12 -13.934   0.824   9.440
  105   2HE   LYS  12          2HE       LYS  12 -12.731  -0.432   9.657
  106   1HZ   LYS  12          1HZ       LYS  12 -11.530   0.889  11.090
  107   2HZ   LYS  12          2HZ       LYS  12 -12.209   2.286  10.587
  108    H    THR  13           H        THR  13 -13.007   3.217   5.323
  109    HA   THR  13           HA       THR  13 -12.068   4.205   2.709
  110    HB   THR  13           HB       THR  13 -14.181   5.263   4.652
  111    HG1  THR  13           1HG      THR  13 -14.544   3.555   2.907
  112   1HG2  THR  13          1HG2      THR  13 -12.777   6.568   2.283
  113   2HG2  THR  13          2HG2      THR  13 -14.466   6.971   2.678
  114    H    CYS  14           H        CYS  14 -10.282   5.439   2.664
  115    HA   CYS  14           HA       CYS  14  -8.805   5.704   5.052
  116   1HB   CYS  14          1HB       CYS  14  -8.180   7.219   2.537
  117   2HB   CYS  14          2HB       CYS  14  -7.084   6.562   3.736
  118    HA   PRO  15           HA       PRO  15 -10.711   9.505   6.173
  119   1HB   PRO  15          1HB       PRO  15  -9.421   9.869   8.554
  120   2HB   PRO  15          2HB       PRO  15 -10.861   8.885   8.385
  121   1HG   PRO  15          1HG       PRO  15  -8.055   8.021   8.725
  122   2HG   PRO  15          2HG       PRO  15  -9.525   7.101   8.978
  123   1HD   PRO  15          1HD       PRO  15  -7.748   6.914   6.734
  124   2HD   PRO  15          2HD       PRO  15  -9.276   6.080   6.933
  125    H    ALA  16           H        ALA  16 -10.165  11.794   6.723
  126    HA   ALA  16           HA       ALA  16  -8.544  12.869   4.883
  127   1HB   ALA  16          1HB       ALA  16  -9.127  13.763   7.728
  128   2HB   ALA  16          2HB       ALA  16  -8.307  14.796   6.533
  129    H    GLY  17           H        GLY  17  -6.358  13.313   4.570
  130   1HA   GLY  17          1HA       GLY  17  -4.163  13.586   5.475
  131   2HA   GLY  17          2HA       GLY  17  -4.514  12.348   6.664
  132    H    LYS  18           H        LYS  18  -5.489  10.192   5.398
  133    HA   LYS  18           HA       LYS  18  -3.323   9.517   3.558
  134   1HB   LYS  18          1HB       LYS  18  -4.233   7.139   4.080
  135   2HB   LYS  18          2HB       LYS  18  -3.272   7.980   5.279
  136   1HG   LYS  18          1HG       LYS  18  -6.256   8.400   5.345
  137   2HG   LYS  18          2HG       LYS  18  -5.645   6.849   5.885
  138   1HD   LYS  18          1HD       LYS  18  -4.137   9.174   6.962
  139   2HD   LYS  18          2HD       LYS  18  -5.816   9.128   7.460
  140   1HE   LYS  18          1HE       LYS  18  -5.467   7.351   8.848
  141   2HE   LYS  18          2HE       LYS  18  -4.584   6.463   7.622
  142   1HZ   LYS  18          1HZ       LYS  18  -2.763   6.969   8.719
  143   2HZ   LYS  18          2HZ       LYS  18  -2.977   8.555   8.394
  144    H    ASN  19           H        ASN  19  -3.965  10.251   1.546
  145    HA   ASN  19           HA       ASN  19  -6.629   9.435   0.718
  146   1HB   ASN  19          1HB       ASN  19  -4.747  11.659  -0.051
  147   2HB   ASN  19          2HB       ASN  19  -5.759  11.021  -1.331
  148   1HD2  ASN  19          1HD2      ASN  19  -5.625  13.543   0.431
  149   2HD2  ASN  19          2HD2      ASN  19  -7.264  13.824   0.917
  150    H    LEU  20           H        LEU  20  -3.736   8.038   0.853
  151    HA   LEU  20           HA       LEU  20  -3.926   6.935  -1.856
  152   1HB   LEU  20          1HB       LEU  20  -1.465   7.876  -0.398
  153   2HB   LEU  20          2HB       LEU  20  -1.386   6.698  -1.693
  154    HG   LEU  20           HG       LEU  20  -2.926   9.059  -2.462
  155   1HD1  LEU  20          1HD1      LEU  20  -0.061   9.447  -1.561
  156   2HD1  LEU  20          2HD1      LEU  20  -0.942  10.569  -2.627
  157   1HD2  LEU  20          1HD2      LEU  20  -0.489   7.659  -3.593
  158   2HD2  LEU  20          2HD2      LEU  20  -2.187   7.442  -4.083
  159    H    CYS  21           H        CYS  21  -3.999   4.729  -1.932
  160    HA   CYS  21           HA       CYS  21  -3.957   3.399   0.636
  161   1HB   CYS  21          1HB       CYS  21  -4.684   2.267  -2.071
  162   2HB   CYS  21          2HB       CYS  21  -4.974   1.532  -0.508
  163    H    TYR  22           H        TYR  22  -2.344   1.933   1.247
  164    HA   TYR  22           HA       TYR  22  -0.255   1.427  -0.764
  165   1HB   TYR  22          1HB       TYR  22   1.330   1.853   1.005
  166   2HB   TYR  22          2HB       TYR  22   0.099   3.065   1.297
  167    HD1  TYR  22           1HD      TYR  22  -1.199   3.057   3.306
  168    HD2  TYR  22           2HD      TYR  22   1.370  -0.243   2.405
  169    HE1  TYR  22           1HE      TYR  22  -1.506   2.165   5.667
  170    HE2  TYR  22           2HE      TYR  22   1.054  -1.124   4.769
  171    HH   TYR  22           HH       TYR  22  -1.373   0.029   6.813
  172    H    LYS  23           H        LYS  23   1.044  -0.579  -0.326
  173    HA   LYS  23           HA       LYS  23  -0.318  -2.530   1.335
  174   1HB   LYS  23          1HB       LYS  23  -0.425  -4.172  -0.517
  175   2HB   LYS  23          2HB       LYS  23  -1.502  -2.807  -0.739
  176   1HG   LYS  23          1HG       LYS  23   0.861  -1.933  -1.961
  177   2HG   LYS  23          2HG       LYS  23   0.834  -3.641  -2.353
  178   1HD   LYS  23          1HD       LYS  23  -1.723  -3.156  -2.951
  179   2HD   LYS  23          2HD       LYS  23  -1.173  -1.497  -3.081
  180   1HE   LYS  23          1HE       LYS  23   0.488  -2.107  -4.777
  181   2HE   LYS  23          2HE       LYS  23   0.177  -3.815  -4.540
  182   1HZ   LYS  23          1HZ       LYS  23  -1.303  -1.917  -6.051
  183   2HZ   LYS  23          2HZ       LYS  23  -1.275  -3.546  -6.170
  184    H    MET  24           H        MET  24   1.176  -3.643   2.478
  185    HA   MET  24           HA       MET  24   3.906  -3.464   1.489
  186   1HB   MET  24          1HB       MET  24   2.751  -4.071   4.268
  187   2HB   MET  24          2HB       MET  24   4.467  -4.047   3.914
  188   1HG   MET  24          1HG       MET  24   4.438  -1.683   3.408
  189   2HG   MET  24          2HG       MET  24   2.688  -1.644   3.321
  190   1HE   MET  24          1HE       MET  24   5.529  -2.180   6.655
  191   2HE   MET  24          2HE       MET  24   5.754  -1.572   4.997
  192    H    PHE  25           H        PHE  25   4.862  -5.268   0.652
  193    HA   PHE  25           HA       PHE  25   3.981  -7.855   1.670
  194   1HB   PHE  25          1HB       PHE  25   3.940  -8.622  -0.767
  195   2HB   PHE  25          2HB       PHE  25   2.696  -7.441  -0.406
  196    HD1  PHE  25           1HD      PHE  25   6.174  -7.662  -1.729
  197    HD2  PHE  25           2HD      PHE  25   2.486  -5.563  -1.752
  198    HE1  PHE  25           1HE      PHE  25   7.013  -6.208  -3.594
  199    HE2  PHE  25           2HE      PHE  25   3.325  -4.109  -3.617
  200    HZ   PHE  25           HZ       PHE  25   5.579  -4.448  -4.516
  201    H    MET  26           H        MET  26   5.577  -9.528   1.500
  202    HA   MET  26           HA       MET  26   8.225  -8.442   1.343
  203   1HB   MET  26          1HB       MET  26   7.086 -11.202   2.044
  204   2HB   MET  26          2HB       MET  26   8.803 -10.853   2.079
  205   1HG   MET  26          1HG       MET  26   8.301  -8.946   3.709
  206   2HG   MET  26          2HG       MET  26   6.640  -9.504   3.764
  207   1HE   MET  26          1HE       MET  26   9.427 -10.593   6.752
  208   2HE   MET  26          2HE       MET  26   9.409  -9.220   5.619
  209    H    VAL  27           H        VAL  27   9.916  -9.217  -0.060
  210    HA   VAL  27           HA       VAL  27   9.097  -9.718  -2.676
  211    HB   VAL  27           HB       VAL  27  11.197  -8.634  -1.967
  212   1HG1  VAL  27          1HG1      VAL  27  12.515 -11.281  -1.538
  213   2HG1  VAL  27          2HG1      VAL  27  12.916  -9.679  -0.875
  214   1HG2  VAL  27          1HG2      VAL  27  12.373 -10.774  -3.551
  215   2HG2  VAL  27          2HG2      VAL  27  10.757 -10.324  -4.149
  216    H    ALA  28           H        ALA  28   9.226 -11.787   0.062
  217    HA   ALA  28           HA       ALA  28  10.121 -14.171  -0.693
  218   1HB   ALA  28          1HB       ALA  28   7.360 -13.736   0.509
  219   2HB   ALA  28          2HB       ALA  28   8.430 -15.140   0.739
  220    H    ALA  29           H        ALA  29   7.176 -12.545  -1.953
  221    HA   ALA  29           HA       ALA  29   7.308 -14.137  -4.318
  222   1HB   ALA  29          1HB       ALA  29   4.704 -14.404  -2.837
  223   2HB   ALA  29          2HB       ALA  29   5.423 -15.466  -4.072
  224    HA   PRO  30           HA       PRO  30   5.424 -10.498  -5.702
  225   1HB   PRO  30          1HB       PRO  30   4.529 -11.265  -8.168
  226   2HB   PRO  30          2HB       PRO  30   6.195 -10.827  -7.846
  227   1HG   PRO  30          1HG       PRO  30   5.032 -13.513  -8.257
  228   2HG   PRO  30          2HG       PRO  30   6.709 -13.016  -8.359
  229   1HD   PRO  30          1HD       PRO  30   5.470 -14.442  -6.201
  230   2HD   PRO  30          2HD       PRO  30   7.116 -13.844  -6.254
  231    H    HIS  31           H        HIS  31   3.694 -13.166  -4.831
  232    HA   HIS  31           HA       HIS  31   1.291 -11.527  -4.811
  233   1HB   HIS  31          1HB       HIS  31   1.463 -13.235  -6.806
  234   2HB   HIS  31          2HB       HIS  31   1.056 -14.420  -5.581
  235    HD1  HIS  31           1HD      HIS  31  -1.162 -14.646  -7.179
  236    HD2  HIS  31           2HD      HIS  31  -0.808 -11.145  -4.896
  237    HE1  HIS  31           1HE      HIS  31  -3.489 -13.601  -7.108
  238    H    VAL  32           H        VAL  32   2.528 -11.468  -2.576
  239    HA   VAL  32           HA       VAL  32   1.049 -13.229  -0.865
  240    HB   VAL  32           HB       VAL  32   4.028 -13.472  -1.205
  241   1HG1  VAL  32          1HG1      VAL  32   4.333 -13.585   1.002
  242   2HG1  VAL  32          2HG1      VAL  32   2.588 -13.402   1.302
  243   1HG2  VAL  32          1HG2      VAL  32   2.874 -15.101  -2.463
  244   2HG2  VAL  32          2HG2      VAL  32   3.374 -15.940  -0.975
  245    HA   PRO  33           HA       PRO  33   1.791  -9.070   0.692
  246   1HB   PRO  33          1HB       PRO  33  -0.812  -8.438   1.235
  247   2HB   PRO  33          2HB       PRO  33  -0.021  -8.030  -0.275
  248   1HG   PRO  33          1HG       PRO  33  -2.006 -10.154   0.262
  249   2HG   PRO  33          2HG       PRO  33  -1.531  -9.458  -1.275
  250   1HD   PRO  33          1HD       PRO  33  -0.731 -12.004  -0.223
  251   2HD   PRO  33          2HD       PRO  33  -0.167 -11.258  -1.705
  252    H    VAL  34           H        VAL  34   2.182  -8.395   2.765
  253    HA   VAL  34           HA       VAL  34   1.562 -10.466   4.705
  254    HB   VAL  34           HB       VAL  34   3.837  -9.711   4.566
  255   1HG1  VAL  34          1HG1      VAL  34   2.606  -6.976   4.749
  256   2HG1  VAL  34          2HG1      VAL  34   4.254  -7.242   5.366
  257   1HG2  VAL  34          1HG2      VAL  34   2.898 -10.281   6.799
  258   2HG2  VAL  34          2HG2      VAL  34   4.249  -9.125   6.881
  259    H    LYS  35           H        LYS  35   0.838  -7.052   3.899
  260    HA   LYS  35           HA       LYS  35  -1.604  -7.143   5.266
  261   1HB   LYS  35          1HB       LYS  35  -1.223  -5.758   7.167
  262   2HB   LYS  35          2HB       LYS  35  -0.083  -7.086   7.250
  263   1HG   LYS  35          1HG       LYS  35   1.658  -5.637   7.268
  264   2HG   LYS  35          2HG       LYS  35   1.152  -4.969   5.728
  265   1HD   LYS  35          1HD       LYS  35   0.163  -3.136   6.694
  266   2HD   LYS  35          2HD       LYS  35  -0.521  -4.070   8.010
  267   1HE   LYS  35          1HE       LYS  35   1.477  -3.957   9.304
  268   2HE   LYS  35          2HE       LYS  35   2.471  -3.564   7.915
  269   1HZ   LYS  35          1HZ       LYS  35   1.148  -1.464   7.796
  270   2HZ   LYS  35          2HZ       LYS  35   0.539  -1.825   9.267
  271    H    ARG  36           H        ARG  36  -2.503  -4.767   5.394
  272    HA   ARG  36           HA       ARG  36  -1.268  -2.943   3.468
  273   1HB   ARG  36          1HB       ARG  36  -3.941  -4.292   2.922
  274   2HB   ARG  36          2HB       ARG  36  -3.290  -2.905   2.016
  275   1HG   ARG  36          1HG       ARG  36  -1.311  -4.241   1.379
  276   2HG   ARG  36          2HG       ARG  36  -1.944  -5.627   2.300
  277   1HD   ARG  36          1HD       ARG  36  -3.586  -4.300   0.129
  278   2HD   ARG  36          2HD       ARG  36  -2.385  -5.550  -0.263
  279    HE   ARG  36           HE       ARG  36  -4.289  -6.274   1.845
  280   1HH1  ARG  36          1HH1      ARG  36  -5.802  -8.632  -0.297
  281   2HH1  ARG  36          2HH1      ARG  36  -5.682  -8.049   1.348
  282   1HH2  ARG  36          1HH2      ARG  36  -4.563  -7.624  -1.979
  283   2HH2  ARG  36          2HH2      ARG  36  -3.508  -6.280  -1.603
  284    H    GLY  37           H        GLY  37  -2.679  -0.910   3.222
  285   1HA   GLY  37          1HA       GLY  37  -4.792  -0.363   4.965
  286   2HA   GLY  37          2HA       GLY  37  -3.306   0.058   5.795
  287    H    CYS  38           H        CYS  38  -4.490   2.273   5.584
  288    HA   CYS  38           HA       CYS  38  -3.936   3.430   2.959
  289   1HB   CYS  38          1HB       CYS  38  -5.745   4.333   5.203
  290   2HB   CYS  38          2HB       CYS  38  -5.362   5.329   3.814
  291    H    ILE  39           H        ILE  39  -2.872   5.609   2.962
  292    HA   ILE  39           HA       ILE  39  -1.658   6.522   5.375
  293    HB   ILE  39           HB       ILE  39  -0.314   4.459   4.442
  294   1HG1  ILE  39          1HG1      ILE  39   1.777   6.195   5.098
  295   2HG1  ILE  39          2HG1      ILE  39   0.384   6.875   5.915
  296   1HG2  ILE  39          1HG2      ILE  39   1.573   5.240   3.002
  297   2HG2  ILE  39          2HG2      ILE  39  -0.007   5.190   2.185
  298   1HD1  ILE  39          1HD1      ILE  39  -0.001   4.219   6.468
  299   2HD1  ILE  39          2HD1      ILE  39   1.776   4.280   6.379
  300    H    ASP  40           H        ASP  40   0.178   8.246   4.515
  301    HA   ASP  40           HA       ASP  40  -1.290   9.847   2.479
  302   1HB   ASP  40          1HB       ASP  40   0.130  11.724   3.586
  303   2HB   ASP  40          2HB       ASP  40  -1.273  11.083   4.469
  304    HD2  ASP  40           HD       ASP  40   2.372  10.354   5.847
  305    H    VAL  41           H        VAL  41   2.016   8.964   3.675
  306    HA   VAL  41           HA       VAL  41   2.963   9.527   0.949
  307    HB   VAL  41           HB       VAL  41   5.129  10.034   1.958
  308   1HG1  VAL  41          1HG1      VAL  41   3.050  11.709   3.377
  309   2HG1  VAL  41          2HG1      VAL  41   4.612  12.214   2.689
  310   1HG2  VAL  41          1HG2      VAL  41   5.173   8.726   3.940
  311   2HG2  VAL  41          2HG2      VAL  41   5.188  10.424   4.473
  312    H    CYS  42           H        CYS  42   4.533   8.044   0.060
  313    HA   CYS  42           HA       CYS  42   4.170   5.386   1.166
  314   1HB   CYS  42          1HB       CYS  42   3.994   6.281  -1.382
  315   2HB   CYS  42          2HB       CYS  42   5.670   5.768  -1.360
  316    HA   PRO  43           HA       PRO  43   8.241   5.585   2.755
  317   1HB   PRO  43          1HB       PRO  43   8.513   2.986   3.553
  318   2HB   PRO  43          2HB       PRO  43   7.699   4.203   4.515
  319   1HG   PRO  43          1HG       PRO  43   6.523   2.008   2.922
  320   2HG   PRO  43          2HG       PRO  43   5.787   2.951   4.203
  321   1HD   PRO  43          1HD       PRO  43   5.338   3.238   1.384
  322   2HD   PRO  43          2HD       PRO  43   4.693   4.255   2.658
  323    H    LYS  44           H        LYS  44  10.466   4.793   2.495
  324    HA   LYS  44           HA       LYS  44  10.955   4.462  -0.252
  325   1HB   LYS  44          1HB       LYS  44  12.539   5.601   1.151
  326   2HB   LYS  44          2HB       LYS  44  12.718   4.207   2.196
  327   1HG   LYS  44          1HG       LYS  44  13.939   2.978   0.585
  328   2HG   LYS  44          2HG       LYS  44  13.296   3.901  -0.759
  329   1HD   LYS  44          1HD       LYS  44  14.595   5.868   0.727
  330   2HD   LYS  44          2HD       LYS  44  15.630   4.477   0.980
  331   1HE   LYS  44          1HE       LYS  44  15.530   4.130  -1.595
  332   2HE   LYS  44          2HE       LYS  44  14.826   5.733  -1.677
  333   1HZ   LYS  44          1HZ       LYS  44  17.350   5.455  -1.811
  334   2HZ   LYS  44          2HZ       LYS  44  16.747   6.682  -0.918
  335    H    SER  45           H        SER  45  11.559   2.654  -1.479
  336    HA   SER  45           HA       SER  45  10.613   0.191  -0.351
  337   1HB   SER  45          1HB       SER  45  11.072   1.306  -3.055
  338   2HB   SER  45          2HB       SER  45  11.522  -0.382  -2.920
  339    HG   SER  45           HG       SER  45   8.980   0.613  -1.970
  340    H    SER  46           H        SER  46  11.897  -1.755  -0.183
  341    HA   SER  46           HA       SER  46  14.761  -1.248  -0.409
  342   1HB   SER  46          1HB       SER  46  15.147  -2.550   1.609
  343   2HB   SER  46          2HB       SER  46  13.986  -1.289   1.974
  344    HG   SER  46           HG       SER  46  12.647  -3.520   1.103
  345    H    LEU  47           H        LEU  47  15.946  -3.594  -0.255
  346    HA   LEU  47           HA       LEU  47  14.955  -5.023  -2.509
  347   1HB   LEU  47          1HB       LEU  47  17.333  -5.202  -0.702
  348   2HB   LEU  47          2HB       LEU  47  16.947  -6.554  -1.748
  349    HG   LEU  47           HG       LEU  47  17.374  -3.721  -2.734
  350   1HD1  LEU  47          1HD1      LEU  47  19.453  -5.543  -3.522
  351   2HD1  LEU  47          2HD1      LEU  47  19.571  -4.003  -2.637
  352   1HD2  LEU  47          1HD2      LEU  47  17.754  -5.979  -4.577
  353   2HD2  LEU  47          2HD2      LEU  47  16.084  -5.777  -3.996
  354    H    LEU  48           H        LEU  48  15.479  -5.865   0.987
  355    HA   LEU  48           HA       LEU  48  14.424  -8.391   0.900
  356   1HB   LEU  48          1HB       LEU  48  15.591  -7.025   2.774
  357   2HB   LEU  48          2HB       LEU  48  13.966  -6.550   3.226
  358    HG   LEU  48           HG       LEU  48  13.677  -9.263   3.048
  359   1HD1  LEU  48          1HD1      LEU  48  15.562 -10.412   3.280
  360   2HD1  LEU  48          2HD1      LEU  48  16.452  -8.902   2.969
  361   1HD2  LEU  48          1HD2      LEU  48  12.771  -8.535   4.963
  362   2HD2  LEU  48          2HD2      LEU  48  14.344  -8.955   5.681
  363    H    VAL  49           H        VAL  49  12.618  -5.412   1.952
  364    HA   VAL  49           HA       VAL  49  10.202  -6.741   0.934
  365    HB   VAL  49           HB       VAL  49  10.528  -4.787   3.221
  366   1HG1  VAL  49          1HG1      VAL  49   8.108  -5.333   3.652
  367   2HG1  VAL  49          2HG1      VAL  49   8.408  -4.382   2.177
  368   1HG2  VAL  49          1HG2      VAL  49   9.567  -6.868   4.478
  369   2HG2  VAL  49          2HG2      VAL  49  10.202  -7.776   3.085
  370    H    LYS  50           H        LYS  50   8.498  -5.191   0.131
  371    HA   LYS  50           HA       LYS  50   9.587  -2.643  -0.749
  372   1HB   LYS  50          1HB       LYS  50   9.434  -4.937  -2.458
  373   2HB   LYS  50          2HB       LYS  50   8.233  -3.778  -2.991
  374   1HG   LYS  50          1HG       LYS  50  10.301  -2.063  -2.561
  375   2HG   LYS  50          2HG       LYS  50  11.224  -3.513  -2.901
  376   1HD   LYS  50          1HD       LYS  50   8.993  -3.154  -4.797
  377   2HD   LYS  50          2HD       LYS  50  10.087  -1.785  -4.804
  378   1HE   LYS  50          1HE       LYS  50  11.543  -2.984  -6.061
  379   2HE   LYS  50          2HE       LYS  50  11.754  -4.099  -4.726
  380   1HZ   LYS  50          1HZ       LYS  50  10.899  -5.511  -6.212
  381   2HZ   LYS  50          2HZ       LYS  50   9.459  -4.943  -5.692
  382    H    TYR  51           H        TYR  51   7.883  -1.142  -1.462
  383    HA   TYR  51           HA       TYR  51   5.203  -2.001  -0.627
  384   1HB   TYR  51          1HB       TYR  51   6.425   0.757  -0.100
  385   2HB   TYR  51          2HB       TYR  51   5.054   0.029   0.715
  386    HD1  TYR  51           1HD      TYR  51   8.166   1.120   1.383
  387    HD2  TYR  51           2HD      TYR  51   5.930  -2.515   1.688
  388    HE1  TYR  51           1HE      TYR  51   9.691   0.331   3.258
  389    HE2  TYR  51           2HE      TYR  51   7.463  -3.292   3.562
  390    HH   TYR  51           HH       TYR  51   8.964  -1.896   5.353
  391    H    VAL  52           H        VAL  52   3.455  -0.896  -1.672
  392    HA   VAL  52           HA       VAL  52   4.291   0.817  -3.902
  393    HB   VAL  52           HB       VAL  52   2.529  -1.620  -3.915
  394   1HG1  VAL  52          1HG1      VAL  52   1.101  -0.061  -4.964
  395   2HG1  VAL  52          2HG1      VAL  52   2.450   0.740  -5.804
  396   1HG2  VAL  52          1HG2      VAL  52   4.253  -2.533  -4.992
  397   2HG2  VAL  52          2HG2      VAL  52   4.151  -1.279  -6.251
  398    H    CYS  53           H        CYS  53   2.590   2.312  -4.637
  399    HA   CYS  53           HA       CYS  53   0.408   2.609  -2.734
  400   1HB   CYS  53          1HB       CYS  53   2.501   4.686  -3.342
  401   2HB   CYS  53          2HB       CYS  53   0.886   5.143  -2.839
  402    H    CYS  54           H        CYS  54  -1.341   4.032  -3.668
  403    HA   CYS  54           HA       CYS  54  -1.145   4.895  -6.343
  404   1HB   CYS  54          1HB       CYS  54  -3.151   3.198  -6.926
  405   2HB   CYS  54          2HB       CYS  54  -1.474   2.936  -7.361
  406    H    ASN  55           H        ASN  55  -2.990   6.227  -6.843
  407    HA   ASN  55           HA       ASN  55  -4.735   6.578  -4.543
  408   1HB   ASN  55          1HB       ASN  55  -5.140   8.873  -5.494
  409   2HB   ASN  55          2HB       ASN  55  -3.444   8.593  -5.152
  410   1HD2  ASN  55          1HD2      ASN  55  -4.750  10.425  -7.021
  411   2HD2  ASN  55          2HD2      ASN  55  -4.110  10.095  -8.597
  412    H    THR  56           H        THR  56  -5.921   4.596  -5.549
  413    HA   THR  56           HA       THR  56  -8.030   5.586  -7.268
  414    HB   THR  56           HB       THR  56  -7.672   3.840  -8.973
  415    HG1  THR  56           1HG      THR  56  -6.704   2.172  -7.769
  416   1HG2  THR  56          1HG2      THR  56  -4.931   5.057  -8.371
  417   2HG2  THR  56          2HG2      THR  56  -5.550   4.525  -9.952
  418    H    ASP  57           H        ASP  57  -9.879   4.153  -7.315
  419    HA   ASP  57           HA       ASP  57 -10.378   3.014  -4.737
  420   1HB   ASP  57          1HB       ASP  57 -11.814   3.420  -7.297
  421   2HB   ASP  57          2HB       ASP  57 -12.362   2.027  -6.341
  422    HD2  ASP  57           HD       ASP  57 -14.135   4.948  -5.159
  423    H    LYS  58           H        LYS  58  -9.845   1.048  -3.953
  424    HA   LYS  58           HA       LYS  58  -9.187  -1.056  -3.869
  425   1HB   LYS  58          1HB       LYS  58 -10.950  -1.100  -6.300
  426   2HB   LYS  58          2HB       LYS  58 -10.040  -2.535  -5.875
  427   1HG   LYS  58          1HG       LYS  58 -11.035  -2.549  -3.612
  428   2HG   LYS  58          2HG       LYS  58 -11.861  -1.037  -3.933
  429   1HD   LYS  58          1HD       LYS  58 -12.935  -2.307  -5.970
  430   2HD   LYS  58          2HD       LYS  58 -12.392  -3.764  -5.162
  431   1HE   LYS  58          1HE       LYS  58 -13.716  -3.270  -3.183
  432   2HE   LYS  58          2HE       LYS  58 -14.059  -1.644  -3.738
  433   1HZ   LYS  58          1HZ       LYS  58 -15.381  -2.498  -5.470
  434   2HZ   LYS  58          2HZ       LYS  58 -14.899  -4.037  -5.214
  435    H    CYS  59           H        CYS  59  -7.180   0.622  -4.503
  436    HA   CYS  59           HA       CYS  59  -5.911  -0.334  -6.914
  437   1HB   CYS  59          1HB       CYS  59  -4.637   1.512  -6.844
  438   2HB   CYS  59          2HB       CYS  59  -5.932   2.098  -5.819
  439    H    ASN  60           H        ASN  60  -5.509  -0.352  -3.316
  440    HA   ASN  60           HA       ASN  60  -3.253  -2.106  -3.577
  441   1HB   ASN  60          1HB       ASN  60  -2.965  -1.789  -1.204
  442   2HB   ASN  60          2HB       ASN  60  -3.484  -0.230  -1.814
  443   1HD2  ASN  60          1HD2      ASN  60  -3.722  -1.042   0.842
  444   2HD2  ASN  60          2HD2      ASN  60  -5.395  -1.156   1.276
  445   1H    HOH  61          1H        HOH  61   5.653 -10.887   2.599
  446   2H    HOH  61          2H        HOH  61   4.289 -10.903   1.945
  447   1H    HOH  62          1H        HOH  62   9.250 -13.890  -5.704
  448   2H    HOH  62          2H        HOH  62  10.611 -13.298  -5.405
  Start of MODEL    3
    1    H    LEU   1           H        LEU   1 -13.420   7.393  -1.236
    2    HA   LEU   1           HA       LEU   1 -10.650   6.802  -1.925
    3   1HB   LEU   1          1HB       LEU   1 -11.548   8.690   0.246
    4   2HB   LEU   1          2HB       LEU   1  -9.983   7.902   0.264
    5    HG   LEU   1           HG       LEU   1  -9.919   8.971  -2.224
    6   1HD1  LEU   1          1HD1      LEU   1 -12.162  10.011  -1.885
    7   2HD1  LEU   1          2HD1      LEU   1 -11.454  11.010  -0.593
    8   1HD2  LEU   1          1HD2      LEU   1  -8.874   9.684   0.418
    9   2HD2  LEU   1          2HD2      LEU   1  -8.052   9.571  -1.156
   10    H    LYS   2           H        LYS   2 -11.857   4.652  -1.920
   11    HA   LYS   2           HA       LYS   2 -11.925   3.671   0.847
   12   1HB   LYS   2          1HB       LYS   2 -13.926   3.363  -1.350
   13   2HB   LYS   2          2HB       LYS   2 -13.644   1.983  -0.309
   14   1HG   LYS   2          1HG       LYS   2 -14.421   3.085   1.612
   15   2HG   LYS   2          2HG       LYS   2 -14.012   4.675   1.000
   16   1HD   LYS   2          1HD       LYS   2 -15.867   4.237  -0.802
   17   2HD   LYS   2          2HD       LYS   2 -16.386   2.932   0.246
   18   1HE   LYS   2          1HE       LYS   2 -16.636   4.544   2.141
   19   2HE   LYS   2          2HE       LYS   2 -16.101   5.852   1.104
   20   1HZ   LYS   2          1HZ       LYS   2 -18.332   4.217   0.219
   21   2HZ   LYS   2          2HZ       LYS   2 -18.599   5.331   1.383
   22    H    CYS   3           H        CYS   3 -10.515   2.047   1.254
   23    HA   CYS   3           HA       CYS   3  -9.498   0.611  -1.090
   24   1HB   CYS   3          1HB       CYS   3  -7.795   1.101   1.331
   25   2HB   CYS   3          2HB       CYS   3  -7.312   0.657  -0.294
   26    H    LYS   4           H        LYS   4  -8.397  -1.563  -0.245
   27    HA   LYS   4           HA       LYS   4 -10.383  -2.808   1.463
   28   1HB   LYS   4          1HB       LYS   4  -8.348  -3.763  -0.521
   29   2HB   LYS   4          2HB       LYS   4  -8.908  -4.873   0.713
   30   1HG   LYS   4          1HG       LYS   4 -11.065  -3.310  -0.633
   31   2HG   LYS   4          2HG       LYS   4 -10.205  -4.423  -1.677
   32   1HD   LYS   4          1HD       LYS   4 -10.657  -6.289  -0.091
   33   2HD   LYS   4          2HD       LYS   4 -11.471  -5.184   0.998
   34   1HE   LYS   4          1HE       LYS   4 -12.964  -4.623  -1.131
   35   2HE   LYS   4          2HE       LYS   4 -12.371  -6.161  -1.726
   36   1HZ   LYS   4          1HZ       LYS   4 -14.138  -6.859  -0.554
   37   2HZ   LYS   4          2HZ       LYS   4 -13.072  -6.876   0.682
   38    H    LYS   5           H        LYS   5  -9.928  -3.842   3.436
   39    HA   LYS   5           HA       LYS   5  -7.658  -2.735   4.802
   40   1HB   LYS   5          1HB       LYS   5  -9.984  -4.475   5.650
   41   2HB   LYS   5          2HB       LYS   5  -8.678  -4.051   6.739
   42   1HG   LYS   5          1HG       LYS   5  -9.124  -1.593   6.173
   43   2HG   LYS   5          2HG       LYS   5 -10.546  -2.116   5.294
   44   1HD   LYS   5          1HD       LYS   5 -10.154  -3.011   8.164
   45   2HD   LYS   5          2HD       LYS   5 -10.752  -1.397   7.838
   46   1HE   LYS   5          1HE       LYS   5 -12.662  -2.286   6.580
   47   2HE   LYS   5          2HE       LYS   5 -12.018  -3.914   6.659
   48   1HZ   LYS   5          1HZ       LYS   5 -13.476  -3.883   8.386
   49   2HZ   LYS   5          2HZ       LYS   5 -12.109  -3.475   9.181
   50    H    LEU   6           H        LEU   6  -6.873  -4.742   6.554
   51    HA   LEU   6           HA       LEU   6  -4.861  -5.982   5.290
   52   1HB   LEU   6          1HB       LEU   6  -6.435  -6.570   7.743
   53   2HB   LEU   6          2HB       LEU   6  -5.343  -7.816   7.172
   54    HG   LEU   6           HG       LEU   6  -3.606  -5.815   7.100
   55   1HD1  LEU   6          1HD1      LEU   6  -4.922  -3.966   7.657
   56   2HD1  LEU   6          2HD1      LEU   6  -5.763  -4.835   8.963
   57   1HD2  LEU   6          1HD2      LEU   6  -2.750  -6.536   9.187
   58   2HD2  LEU   6          2HD2      LEU   6  -4.362  -7.017   9.769
   59    H    VAL   7           H        VAL   7  -7.837  -7.856   6.201
   60    HA   VAL   7           HA       VAL   7  -7.242  -9.714   4.077
   61    HB   VAL   7           HB       VAL   7  -9.439  -9.586   6.152
   62   1HG1  VAL   7          1HG1      VAL   7  -8.754 -12.129   4.751
   63   2HG1  VAL   7          2HG1      VAL   7 -10.311 -11.555   5.394
   64   1HG2  VAL   7          1HG2      VAL   7  -7.651 -11.794   6.493
   65   2HG2  VAL   7          2HG2      VAL   7  -6.685 -10.306   6.342
   66    HA   PRO   8           HA       PRO   8  -9.881  -7.745   1.254
   67   1HB   PRO   8          1HB       PRO   8  -9.920  -9.658  -0.697
   68   2HB   PRO   8          2HB       PRO   8  -8.629  -8.486  -0.530
   69   1HG   PRO   8          1HG       PRO   8  -8.627 -11.356   0.175
   70   2HG   PRO   8          2HG       PRO   8  -7.262 -10.285  -0.067
   71   1HD   PRO   8          1HD       PRO   8  -8.303 -11.196   2.445
   72   2HD   PRO   8          2HD       PRO   8  -7.013 -10.034   2.205
   73    H    LEU   9           H        LEU   9 -11.314  -8.437   3.353
   74    HA   LEU   9           HA       LEU   9 -13.516  -9.944   2.120
   75   1HB   LEU   9          1HB       LEU   9 -12.377  -9.964   4.885
   76   2HB   LEU   9          2HB       LEU   9 -14.088 -10.270   4.664
   77    HG   LEU   9           HG       LEU   9 -11.766 -11.876   3.585
   78   1HD1  LEU   9          1HD1      LEU   9 -14.006 -12.467   5.530
   79   2HD1  LEU   9          2HD1      LEU   9 -12.953 -13.718   4.826
   80   1HD2  LEU   9          1HD2      LEU   9 -13.090 -12.106   1.751
   81   2HD2  LEU   9          2HD2      LEU   9 -13.831 -13.355   2.781
   82    H    PHE  10           H        PHE  10 -12.446  -7.106   4.007
   83    HA   PHE  10           HA       PHE  10 -15.024  -5.886   3.368
   84   1HB   PHE  10          1HB       PHE  10 -13.495  -5.538   6.005
   85   2HB   PHE  10          2HB       PHE  10 -15.136  -5.023   5.671
   86    HD1  PHE  10           1HD      PHE  10 -12.996  -7.919   6.397
   87    HD2  PHE  10           2HD      PHE  10 -16.977  -6.564   5.825
   88    HE1  PHE  10           1HE      PHE  10 -13.866 -10.072   7.349
   89    HE2  PHE  10           2HE      PHE  10 -17.846  -8.718   6.777
   90    HZ   PHE  10           HZ       PHE  10 -16.280 -10.446   7.527
   91    H    SER  11           H        SER  11 -14.956  -3.510   3.300
   92    HA   SER  11           HA       SER  11 -12.218  -2.584   2.897
   93   1HB   SER  11          1HB       SER  11 -13.340  -0.886   1.309
   94   2HB   SER  11          2HB       SER  11 -13.230  -2.545   0.754
   95    HG   SER  11           HG       SER  11 -15.567  -1.561   2.135
   96    H    LYS  12           H        LYS  12 -11.851  -0.236   3.399
   97    HA   LYS  12           HA       LYS  12 -13.884   0.921   5.140
   98   1HB   LYS  12          1HB       LYS  12 -11.469  -0.327   6.083
   99   2HB   LYS  12          2HB       LYS  12 -11.374   1.397   6.384
  100   1HG   LYS  12          1HG       LYS  12 -14.036   0.222   6.991
  101   2HG   LYS  12          2HG       LYS  12 -12.738  -0.430   7.972
  102   1HD   LYS  12          1HD       LYS  12 -12.032   2.051   8.369
  103   2HD   LYS  12          2HD       LYS  12 -13.599   2.478   7.712
  104   1HE   LYS  12          1HE       LYS  12 -14.190   2.316   9.949
  105   2HE   LYS  12          2HE       LYS  12 -14.462   0.649   9.485
  106   1HZ   LYS  12          1HZ       LYS  12 -13.111   0.802  11.447
  107   2HZ   LYS  12          2HZ       LYS  12 -12.238   0.138  10.238
  108    H    THR  13           H        THR  13 -13.563   3.265   5.466
  109    HA   THR  13           HA       THR  13 -12.356   4.415   3.075
  110    HB   THR  13           HB       THR  13 -14.208   5.513   5.256
  111    HG1  THR  13           1HG      THR  13 -15.059   3.876   3.746
  112   1HG2  THR  13          1HG2      THR  13 -14.488   7.463   3.907
  113   2HG2  THR  13          2HG2      THR  13 -12.726   7.210   3.889
  114    H    CYS  14           H        CYS  14 -10.587   5.708   3.016
  115    HA   CYS  14           HA       CYS  14  -8.970   5.689   5.376
  116   1HB   CYS  14          1HB       CYS  14  -8.346   7.106   2.789
  117   2HB   CYS  14          2HB       CYS  14  -7.229   6.535   4.013
  118    HA   PRO  15           HA       PRO  15 -10.300   9.652   6.649
  119   1HB   PRO  15          1HB       PRO  15  -8.432  10.148   8.582
  120   2HB   PRO  15          2HB       PRO  15  -9.858   9.167   8.857
  121   1HG   PRO  15          1HG       PRO  15  -7.055   8.301   8.499
  122   2HG   PRO  15          2HG       PRO  15  -8.400   7.411   9.184
  123   1HD   PRO  15          1HD       PRO  15  -7.273   7.074   6.568
  124   2HD   PRO  15          2HD       PRO  15  -8.689   6.267   7.212
  125    H    ALA  16           H        ALA  16  -9.367  11.951   7.188
  126    HA   ALA  16           HA       ALA  16  -8.304  12.860   4.796
  127   1HB   ALA  16          1HB       ALA  16  -7.599  14.750   6.716
  128   2HB   ALA  16          2HB       ALA  16  -9.158  14.660   5.860
  129    H    GLY  17           H        GLY  17  -6.209  13.418   4.104
  130   1HA   GLY  17          1HA       GLY  17  -3.911  13.728   4.457
  131   2HA   GLY  17          2HA       GLY  17  -3.988  12.746   5.907
  132    H    LYS  18           H        LYS  18  -5.488  10.501   4.915
  133    HA   LYS  18           HA       LYS  18  -3.415   9.324   3.231
  134   1HB   LYS  18          1HB       LYS  18  -5.600   7.751   4.559
  135   2HB   LYS  18          2HB       LYS  18  -3.965   7.268   4.156
  136   1HG   LYS  18          1HG       LYS  18  -3.298   9.201   5.879
  137   2HG   LYS  18          2HG       LYS  18  -4.927   8.952   6.476
  138   1HD   LYS  18          1HD       LYS  18  -3.768   6.349   6.095
  139   2HD   LYS  18          2HD       LYS  18  -2.571   7.324   6.923
  140   1HE   LYS  18          1HE       LYS  18  -4.679   8.063   8.412
  141   2HE   LYS  18          2HE       LYS  18  -5.345   6.549   7.834
  142   1HZ   LYS  18          1HZ       LYS  18  -3.913   5.395   9.060
  143   2HZ   LYS  18          2HZ       LYS  18  -2.640   6.369   8.747
  144    H    ASN  19           H        ASN  19  -3.925  10.039   1.152
  145    HA   ASN  19           HA       ASN  19  -6.619   9.361   0.279
  146   1HB   ASN  19          1HB       ASN  19  -4.609  11.466  -0.542
  147   2HB   ASN  19          2HB       ASN  19  -5.690  10.859  -1.780
  148   1HD2  ASN  19          1HD2      ASN  19  -6.720  12.831  -1.970
  149   2HD2  ASN  19          2HD2      ASN  19  -7.851  13.432  -0.803
  150    H    LEU  20           H        LEU  20  -3.851   7.806   0.562
  151    HA   LEU  20           HA       LEU  20  -4.042   6.573  -2.074
  152   1HB   LEU  20          1HB       LEU  20  -1.474   7.521  -0.798
  153   2HB   LEU  20          2HB       LEU  20  -1.560   6.433  -2.169
  154    HG   LEU  20           HG       LEU  20  -3.133   8.683  -2.858
  155   1HD1  LEU  20          1HD1      LEU  20  -1.867  10.591  -2.455
  156   2HD1  LEU  20          2HD1      LEU  20  -1.800   9.722  -0.903
  157   1HD2  LEU  20          1HD2      LEU  20  -1.790   7.191  -4.338
  158   2HD2  LEU  20          2HD2      LEU  20  -1.564   8.928  -4.654
  159    H    CYS  21           H        CYS  21  -4.107   4.373  -1.954
  160    HA   CYS  21           HA       CYS  21  -4.003   3.249   0.687
  161   1HB   CYS  21          1HB       CYS  21  -4.392   1.563  -1.741
  162   2HB   CYS  21          2HB       CYS  21  -5.131   1.442  -0.157
  163    H    TYR  22           H        TYR  22  -2.382   1.843   1.455
  164    HA   TYR  22           HA       TYR  22  -0.114   1.442  -0.380
  165   1HB   TYR  22          1HB       TYR  22   1.272   1.953   1.508
  166   2HB   TYR  22          2HB       TYR  22  -0.084   3.030   1.777
  167    HD1  TYR  22           1HD      TYR  22  -1.573   2.729   3.648
  168    HD2  TYR  22           2HD      TYR  22   1.488  -0.148   2.837
  169    HE1  TYR  22           1HE      TYR  22  -1.947   1.676   5.932
  170    HE2  TYR  22           2HE      TYR  22   1.104  -1.191   5.123
  171    HH   TYR  22           HH       TYR  22  -1.524  -0.819   6.854
  172    H    LYS  23           H        LYS  23   1.085  -0.555  -0.157
  173    HA   LYS  23           HA       LYS  23  -0.244  -2.601   1.446
  174   1HB   LYS  23          1HB       LYS  23  -0.686  -4.031  -0.294
  175   2HB   LYS  23          2HB       LYS  23  -1.029  -2.488  -1.050
  176   1HG   LYS  23          1HG       LYS  23   1.528  -2.547  -1.740
  177   2HG   LYS  23          2HG       LYS  23   1.406  -4.262  -1.401
  178   1HD   LYS  23          1HD       LYS  23  -0.807  -4.039  -2.927
  179   2HD   LYS  23          2HD       LYS  23   0.054  -2.650  -3.560
  180   1HE   LYS  23          1HE       LYS  23   0.864  -4.327  -4.973
  181   2HE   LYS  23          2HE       LYS  23   2.101  -4.337  -3.732
  182   1HZ   LYS  23          1HZ       LYS  23   1.590  -6.466  -3.541
  183   2HZ   LYS  23          2HZ       LYS  23   0.228  -6.009  -2.764
  184    H    MET  24           H        MET  24   1.230  -3.644   2.671
  185    HA   MET  24           HA       MET  24   3.998  -3.404   1.798
  186   1HB   MET  24          1HB       MET  24   2.677  -3.840   4.528
  187   2HB   MET  24          2HB       MET  24   4.406  -4.015   4.300
  188   1HG   MET  24          1HG       MET  24   4.616  -1.678   3.580
  189   2HG   MET  24          2HG       MET  24   2.875  -1.478   3.557
  190   1HE   MET  24          1HE       MET  24   4.583   0.592   6.398
  191   2HE   MET  24          2HE       MET  24   5.881  -0.582   6.076
  192    H    PHE  25           H        PHE  25   4.965  -5.208   0.981
  193    HA   PHE  25           HA       PHE  25   4.114  -7.785   2.062
  194   1HB   PHE  25          1HB       PHE  25   4.093  -8.634  -0.310
  195   2HB   PHE  25          2HB       PHE  25   2.920  -7.349  -0.103
  196    HD1  PHE  25           1HD      PHE  25   3.187  -5.234  -1.217
  197    HD2  PHE  25           2HD      PHE  25   6.181  -8.222  -1.551
  198    HE1  PHE  25           1HE      PHE  25   4.235  -3.971  -3.116
  199    HE2  PHE  25           2HE      PHE  25   7.229  -6.960  -3.450
  200    HZ   PHE  25           HZ       PHE  25   6.244  -4.849  -4.210
  201    H    MET  26           H        MET  26   5.701  -9.568   1.017
  202    HA   MET  26           HA       MET  26   8.360  -8.421   1.344
  203   1HB   MET  26          1HB       MET  26   7.171 -11.187   1.893
  204   2HB   MET  26          2HB       MET  26   8.905 -10.938   1.851
  205   1HG   MET  26          1HG       MET  26   8.911  -9.619   3.796
  206   2HG   MET  26          2HG       MET  26   7.261  -9.075   3.566
  207   1HE   MET  26          1HE       MET  26   5.595 -10.795   6.131
  208   2HE   MET  26          2HE       MET  26   7.147 -10.094   6.649
  209    H    VAL  27           H        VAL  27  10.117  -9.215  -0.025
  210    HA   VAL  27           HA       VAL  27   9.405  -9.422  -2.705
  211    HB   VAL  27           HB       VAL  27  11.554  -8.607  -1.690
  212   1HG1  VAL  27          1HG1      VAL  27  12.939  -9.947  -0.557
  213   2HG1  VAL  27          2HG1      VAL  27  11.644 -11.167  -0.573
  214   1HG2  VAL  27          1HG2      VAL  27  12.127  -8.638  -3.846
  215   2HG2  VAL  27          2HG2      VAL  27  12.787 -10.273  -3.604
  216    H    ALA  28           H        ALA  28   9.278 -11.748  -0.170
  217    HA   ALA  28           HA       ALA  28  10.029 -14.108  -1.130
  218   1HB   ALA  28          1HB       ALA  28   7.249 -14.228  -0.193
  219   2HB   ALA  28          2HB       ALA  28   8.731 -14.876   0.550
  220    H    ALA  29           H        ALA  29   7.130 -12.250  -2.214
  221    HA   ALA  29           HA       ALA  29   7.262 -13.614  -4.746
  222   1HB   ALA  29          1HB       ALA  29   5.771 -15.207  -4.154
  223   2HB   ALA  29          2HB       ALA  29   5.336 -14.362  -2.649
  224    HA   PRO  30           HA       PRO  30   5.743  -9.739  -5.922
  225   1HB   PRO  30          1HB       PRO  30   4.737 -10.264  -8.408
  226   2HB   PRO  30          2HB       PRO  30   6.446 -10.035  -8.095
  227   1HG   PRO  30          1HG       PRO  30   4.979 -12.546  -8.626
  228   2HG   PRO  30          2HG       PRO  30   6.701 -12.237  -8.733
  229   1HD   PRO  30          1HD       PRO  30   5.335 -13.630  -6.631
  230   2HD   PRO  30          2HD       PRO  30   7.038 -13.220  -6.683
  231    H    HIS  31           H        HIS  31   3.705 -12.284  -5.272
  232    HA   HIS  31           HA       HIS  31   1.538 -10.376  -4.977
  233   1HB   HIS  31          1HB       HIS  31   1.414 -11.665  -7.220
  234   2HB   HIS  31          2HB       HIS  31   0.994 -13.058  -6.244
  235    HD1  HIS  31           1HD      HIS  31  -0.919 -11.776  -4.180
  236    HD2  HIS  31           2HD      HIS  31  -1.002 -10.943  -8.290
  237    HE1  HIS  31           1HE      HIS  31  -3.270 -10.926  -4.689
  238    H    VAL  32           H        VAL  32   2.604 -10.727  -2.756
  239    HA   VAL  32           HA       VAL  32   0.992 -12.642  -1.360
  240    HB   VAL  32           HB       VAL  32   3.941 -13.018  -1.739
  241   1HG1  VAL  32          1HG1      VAL  32   2.385 -13.458   0.779
  242   2HG1  VAL  32          2HG1      VAL  32   3.586 -14.683   0.305
  243   1HG2  VAL  32          1HG2      VAL  32   1.451 -14.670  -1.957
  244   2HG2  VAL  32          2HG2      VAL  32   2.843 -14.549  -3.059
  245    HA   PRO  33           HA       PRO  33   1.883  -8.796   0.808
  246   1HB   PRO  33          1HB       PRO  33  -0.702  -8.110   1.366
  247   2HB   PRO  33          2HB       PRO  33   0.160  -7.530  -0.045
  248   1HG   PRO  33          1HG       PRO  33  -1.945  -9.599   0.119
  249   2HG   PRO  33          2HG       PRO  33  -1.383  -8.714  -1.285
  250   1HD   PRO  33          1HD       PRO  33  -0.748 -11.426  -0.597
  251   2HD   PRO  33          2HD       PRO  33  -0.095 -10.504  -1.937
  252    H    VAL  34           H        VAL  34   1.783  -8.179   3.047
  253    HA   VAL  34           HA       VAL  34   1.015 -10.529   4.636
  254    HB   VAL  34           HB       VAL  34   3.401 -10.155   4.604
  255   1HG1  VAL  34          1HG1      VAL  34   4.339  -8.038   5.613
  256   2HG1  VAL  34          2HG1      VAL  34   3.582  -7.846   4.014
  257   1HG2  VAL  34          1HG2      VAL  34   1.993 -10.671   6.787
  258   2HG2  VAL  34          2HG2      VAL  34   3.752 -10.413   6.863
  259    H    LYS  35           H        LYS  35   1.047  -6.938   4.383
  260    HA   LYS  35           HA       LYS  35  -1.403  -6.868   5.889
  261   1HB   LYS  35          1HB       LYS  35   0.147  -6.866   7.735
  262   2HB   LYS  35          2HB       LYS  35   1.134  -5.627   6.986
  263   1HG   LYS  35          1HG       LYS  35  -0.900  -4.081   7.050
  264   2HG   LYS  35          2HG       LYS  35  -1.735  -5.309   7.981
  265   1HD   LYS  35          1HD       LYS  35  -0.133  -5.149   9.801
  266   2HD   LYS  35          2HD       LYS  35   0.961  -4.173   8.841
  267   1HE   LYS  35          1HE       LYS  35  -0.310  -2.235   9.090
  268   2HE   LYS  35          2HE       LYS  35  -1.827  -3.107   9.191
  269   1HZ   LYS  35          1HZ       LYS  35  -1.137  -2.172  11.304
  270   2HZ   LYS  35          2HZ       LYS  35  -1.248  -3.799  11.393
  271    H    ARG  36           H        ARG  36  -2.469  -4.791   5.669
  272    HA   ARG  36           HA       ARG  36  -1.228  -2.912   3.756
  273   1HB   ARG  36          1HB       ARG  36  -3.857  -4.381   3.334
  274   2HB   ARG  36          2HB       ARG  36  -3.378  -2.925   2.429
  275   1HG   ARG  36          1HG       ARG  36  -2.272  -4.281   1.002
  276   2HG   ARG  36          2HG       ARG  36  -1.131  -4.627   2.324
  277   1HD   ARG  36          1HD       ARG  36  -2.043  -6.723   1.435
  278   2HD   ARG  36          2HD       ARG  36  -2.614  -6.466   3.098
  279    HE   ARG  36           HE       ARG  36  -4.603  -5.347   1.572
  280   1HH1  ARG  36          1HH1      ARG  36  -6.326  -8.250   0.552
  281   2HH1  ARG  36          2HH1      ARG  36  -6.434  -6.521   0.793
  282   1HH2  ARG  36          1HH2      ARG  36  -4.344  -9.365   1.014
  283   2HH2  ARG  36          2HH2      ARG  36  -2.957  -8.476   1.603
  284    H    GLY  37           H        GLY  37  -2.727  -0.920   3.476
  285   1HA   GLY  37          1HA       GLY  37  -4.758  -0.344   5.296
  286   2HA   GLY  37          2HA       GLY  37  -3.247   0.133   6.044
  287    H    CYS  38           H        CYS  38  -4.482   2.317   5.809
  288    HA   CYS  38           HA       CYS  38  -4.137   3.384   3.117
  289   1HB   CYS  38          1HB       CYS  38  -5.659   4.446   5.505
  290   2HB   CYS  38          2HB       CYS  38  -5.465   5.313   3.994
  291    H    ILE  39           H        ILE  39  -2.926   5.407   2.845
  292    HA   ILE  39           HA       ILE  39  -1.503   6.456   5.103
  293    HB   ILE  39           HB       ILE  39  -0.328   4.292   4.047
  294   1HG1  ILE  39          1HG1      ILE  39   1.878   5.453   4.816
  295   2HG1  ILE  39          2HG1      ILE  39   0.834   6.786   5.271
  296   1HG2  ILE  39          1HG2      ILE  39   1.542   5.103   2.579
  297   2HG2  ILE  39          2HG2      ILE  39  -0.067   5.087   1.816
  298   1HD1  ILE  39          1HD1      ILE  39   0.003   4.022   6.128
  299   2HD1  ILE  39          2HD1      ILE  39   1.368   4.787   6.975
  300    H    ASP  40           H        ASP  40   0.147   8.185   4.140
  301    HA   ASP  40           HA       ASP  40  -1.388   9.635   2.043
  302   1HB   ASP  40          1HB       ASP  40  -0.351  11.657   2.985
  303   2HB   ASP  40          2HB       ASP  40  -1.233  10.750   4.234
  304    HD2  ASP  40           HD       ASP  40   2.329  11.603   5.110
  305    H    VAL  41           H        VAL  41   1.966   8.897   3.206
  306    HA   VAL  41           HA       VAL  41   2.815   9.226   0.412
  307    HB   VAL  41           HB       VAL  41   4.215  10.030   2.966
  308   1HG1  VAL  41          1HG1      VAL  41   6.102   9.419   1.887
  309   2HG1  VAL  41          2HG1      VAL  41   5.298   9.352   0.301
  310   1HG2  VAL  41          1HG2      VAL  41   3.892  11.891   0.667
  311   2HG2  VAL  41          2HG2      VAL  41   2.415  11.470   1.567
  312    H    CYS  42           H        CYS  42   4.357   7.704  -0.365
  313    HA   CYS  42           HA       CYS  42   4.309   5.246   1.167
  314   1HB   CYS  42          1HB       CYS  42   4.047   5.817  -1.534
  315   2HB   CYS  42          2HB       CYS  42   5.673   5.175  -1.415
  316    HA   PRO  43           HA       PRO  43   8.438   5.963   2.414
  317   1HB   PRO  43          1HB       PRO  43   8.993   3.520   3.506
  318   2HB   PRO  43          2HB       PRO  43   8.129   4.779   4.365
  319   1HG   PRO  43          1HG       PRO  43   7.068   2.306   3.141
  320   2HG   PRO  43          2HG       PRO  43   6.325   3.341   4.344
  321   1HD   PRO  43          1HD       PRO  43   5.686   3.225   1.550
  322   2HD   PRO  43          2HD       PRO  43   5.027   4.339   2.730
  323    H    LYS  44           H        LYS  44  10.718   4.855   2.341
  324    HA   LYS  44           HA       LYS  44  11.152   4.472  -0.442
  325   1HB   LYS  44          1HB       LYS  44  12.780   5.672   0.844
  326   2HB   LYS  44          2HB       LYS  44  12.955   4.355   1.986
  327   1HG   LYS  44          1HG       LYS  44  14.778   3.874   0.646
  328   2HG   LYS  44          2HG       LYS  44  13.568   2.972  -0.245
  329   1HD   LYS  44          1HD       LYS  44  13.260   4.809  -1.831
  330   2HD   LYS  44          2HD       LYS  44  14.258   5.880  -0.867
  331   1HE   LYS  44          1HE       LYS  44  16.074   5.182  -2.031
  332   2HE   LYS  44          2HE       LYS  44  15.871   3.583  -1.343
  333   1HZ   LYS  44          1HZ       LYS  44  14.833   4.595  -3.878
  334   2HZ   LYS  44          2HZ       LYS  44  15.741   3.266  -3.606
  335    H    SER  45           H        SER  45  11.496   2.602  -1.605
  336    HA   SER  45           HA       SER  45  10.629   0.219  -0.301
  337   1HB   SER  45          1HB       SER  45  11.214   1.077  -3.121
  338   2HB   SER  45          2HB       SER  45  11.290  -0.640  -2.778
  339    HG   SER  45           HG       SER  45   9.109   0.704  -3.325
  340    H    SER  46           H        SER  46  11.893  -1.622   0.180
  341    HA   SER  46           HA       SER  46  14.756  -1.203  -0.195
  342   1HB   SER  46          1HB       SER  46  15.161  -2.327   1.873
  343   2HB   SER  46          2HB       SER  46  13.841  -1.219   2.194
  344    HG   SER  46           HG       SER  46  12.456  -3.237   1.568
  345    H    LEU  47           H        LEU  47  15.870  -3.622   0.135
  346    HA   LEU  47           HA       LEU  47  14.862  -5.091  -2.116
  347   1HB   LEU  47          1HB       LEU  47  17.272  -5.328  -0.328
  348   2HB   LEU  47          2HB       LEU  47  16.879  -6.556  -1.515
  349    HG   LEU  47           HG       LEU  47  17.244  -3.643  -2.244
  350   1HD1  LEU  47          1HD1      LEU  47  19.269  -5.711  -1.635
  351   2HD1  LEU  47          2HD1      LEU  47  19.513  -4.808  -3.149
  352   1HD2  LEU  47          1HD2      LEU  47  17.162  -4.277  -4.442
  353   2HD2  LEU  47          2HD2      LEU  47  17.715  -5.935  -4.106
  354    H    LEU  48           H        LEU  48  15.351  -5.671   1.428
  355    HA   LEU  48           HA       LEU  48  14.420  -8.254   1.502
  356   1HB   LEU  48          1HB       LEU  48  15.541  -7.157   3.342
  357   2HB   LEU  48          2HB       LEU  48  14.206  -6.041   3.545
  358    HG   LEU  48           HG       LEU  48  12.767  -8.147   3.994
  359   1HD1  LEU  48          1HD1      LEU  48  15.555  -9.285   4.242
  360   2HD1  LEU  48          2HD1      LEU  48  14.145  -9.989   5.069
  361   1HD2  LEU  48          1HD2      LEU  48  13.798  -8.230   6.412
  362   2HD2  LEU  48          2HD2      LEU  48  14.761  -6.856   5.817
  363    H    VAL  49           H        VAL  49  12.521  -5.197   2.021
  364    HA   VAL  49           HA       VAL  49  10.185  -6.690   1.058
  365    HB   VAL  49           HB       VAL  49   8.870  -5.297   2.710
  366   1HG1  VAL  49          1HG1      VAL  49   8.800  -7.110   4.038
  367   2HG1  VAL  49          2HG1      VAL  49  10.012  -7.793   2.928
  368   1HG2  VAL  49          1HG2      VAL  49  11.605  -4.923   3.978
  369   2HG2  VAL  49          2HG2      VAL  49  10.628  -3.645   3.217
  370    H    LYS  50           H        LYS  50   8.575  -5.359  -0.033
  371    HA   LYS  50           HA       LYS  50   9.624  -2.736  -0.824
  372   1HB   LYS  50          1HB       LYS  50   9.797  -4.848  -2.483
  373   2HB   LYS  50          2HB       LYS  50   8.159  -4.349  -2.856
  374   1HG   LYS  50          1HG       LYS  50   9.220  -1.918  -2.993
  375   2HG   LYS  50          2HG       LYS  50  10.733  -2.782  -3.180
  376   1HD   LYS  50          1HD       LYS  50  10.217  -3.497  -5.300
  377   2HD   LYS  50          2HD       LYS  50   8.550  -3.847  -4.887
  378   1HE   LYS  50          1HE       LYS  50   7.809  -1.775  -5.551
  379   2HE   LYS  50          2HE       LYS  50   9.193  -0.946  -4.866
  380   1HZ   LYS  50          1HZ       LYS  50   9.622  -2.605  -7.207
  381   2HZ   LYS  50          2HZ       LYS  50   8.893  -1.158  -7.414
  382    H    TYR  51           H        TYR  51   7.909  -1.241  -1.615
  383    HA   TYR  51           HA       TYR  51   5.268  -1.978  -0.562
  384   1HB   TYR  51          1HB       TYR  51   6.566   0.794  -0.414
  385   2HB   TYR  51          2HB       TYR  51   5.217   0.206   0.537
  386    HD1  TYR  51           1HD      TYR  51   8.362   1.287   0.964
  387    HD2  TYR  51           2HD      TYR  51   6.094  -2.259   1.728
  388    HE1  TYR  51           1HE      TYR  51   9.954   0.665   2.847
  389    HE2  TYR  51           2HE      TYR  51   7.693  -2.868   3.608
  390    HH   TYR  51           HH       TYR  51   9.587  -0.850   5.086
  391    H    VAL  52           H        VAL  52   3.480  -1.122  -1.689
  392    HA   VAL  52           HA       VAL  52   4.156   0.460  -4.065
  393    HB   VAL  52           HB       VAL  52   2.439  -2.018  -3.889
  394   1HG1  VAL  52          1HG1      VAL  52   2.642  -1.004  -6.566
  395   2HG1  VAL  52          2HG1      VAL  52   1.186  -1.302  -5.587
  396   1HG2  VAL  52          1HG2      VAL  52   4.540  -1.622  -5.970
  397   2HG2  VAL  52          2HG2      VAL  52   5.084  -1.925  -4.302
  398    H    CYS  53           H        CYS  53   2.865   2.231  -4.353
  399    HA   CYS  53           HA       CYS  53   0.478   2.338  -2.655
  400   1HB   CYS  53          1HB       CYS  53   2.588   4.395  -3.205
  401   2HB   CYS  53          2HB       CYS  53   0.946   4.911  -2.873
  402    H    CYS  54           H        CYS  54  -1.326   3.637  -3.609
  403    HA   CYS  54           HA       CYS  54  -1.116   4.469  -6.315
  404   1HB   CYS  54          1HB       CYS  54  -3.152   2.772  -6.807
  405   2HB   CYS  54          2HB       CYS  54  -1.484   2.483  -7.261
  406    H    ASN  55           H        ASN  55  -2.997   5.751  -6.883
  407    HA   ASN  55           HA       ASN  55  -4.670   6.269  -4.561
  408   1HB   ASN  55          1HB       ASN  55  -5.179   8.452  -5.864
  409   2HB   ASN  55          2HB       ASN  55  -3.553   8.290  -5.232
  410   1HD2  ASN  55          1HD2      ASN  55  -3.183   9.938  -6.907
  411   2HD2  ASN  55          2HD2      ASN  55  -2.782   9.434  -8.515
  412    H    THR  56           H        THR  56  -5.734   4.116  -5.537
  413    HA   THR  56           HA       THR  56  -7.939   4.998  -7.237
  414    HB   THR  56           HB       THR  56  -7.602   2.859  -8.604
  415    HG1  THR  56           1HG      THR  56  -5.917   1.612  -7.885
  416   1HG2  THR  56          1HG2      THR  56  -6.294   3.990 -10.123
  417   2HG2  THR  56          2HG2      THR  56  -6.339   5.329  -8.951
  418    H    ASP  57           H        ASP  57  -9.846   3.777  -6.984
  419    HA   ASP  57           HA       ASP  57 -10.276   2.835  -4.336
  420   1HB   ASP  57          1HB       ASP  57 -11.800   2.974  -6.899
  421   2HB   ASP  57          2HB       ASP  57 -12.381   1.817  -5.681
  422    HD2  ASP  57           HD       ASP  57 -13.635   5.288  -5.146
  423    H    LYS  58           H        LYS  58  -9.737   0.938  -3.404
  424    HA   LYS  58           HA       LYS  58  -9.116  -1.166  -3.162
  425   1HB   LYS  58          1HB       LYS  58 -11.401  -1.206  -4.845
  426   2HB   LYS  58          2HB       LYS  58 -10.300  -2.415  -5.472
  427   1HG   LYS  58          1HG       LYS  58 -10.096  -2.840  -2.733
  428   2HG   LYS  58          2HG       LYS  58 -11.774  -2.361  -2.893
  429   1HD   LYS  58          1HD       LYS  58 -10.739  -4.350  -4.897
  430   2HD   LYS  58          2HD       LYS  58 -10.936  -4.920  -3.251
  431   1HE   LYS  58          1HE       LYS  58 -13.251  -4.709  -3.297
  432   2HE   LYS  58          2HE       LYS  58 -13.217  -3.325  -4.371
  433   1HZ   LYS  58          1HZ       LYS  58 -12.244  -5.218  -5.941
  434   2HZ   LYS  58          2HZ       LYS  58 -13.243  -6.118  -5.015
  435    H    CYS  59           H        CYS  59  -7.084   0.286  -4.056
  436    HA   CYS  59           HA       CYS  59  -6.078  -0.863  -6.504
  437   1HB   CYS  59          1HB       CYS  59  -4.613   0.854  -6.586
  438   2HB   CYS  59          2HB       CYS  59  -5.848   1.602  -5.592
  439    H    ASN  60           H        ASN  60  -5.313  -0.714  -2.959
  440    HA   ASN  60           HA       ASN  60  -3.214  -2.616  -3.294
  441   1HB   ASN  60          1HB       ASN  60  -2.811  -2.289  -0.932
  442   2HB   ASN  60          2HB       ASN  60  -3.260  -0.714  -1.557
  443   1HD2  ASN  60          1HD2      ASN  60  -3.438  -1.482   1.127
  444   2HD2  ASN  60          2HD2      ASN  60  -5.096  -1.475   1.627
  445   1H    HOH  61          1H        HOH  61   4.969 -11.362   1.511
  446   2H    HOH  61          2H        HOH  61   4.138 -10.362   2.286
  447   1H    HOH  62          1H        HOH  62   5.440 -15.804  -5.956
  448   2H    HOH  62          2H        HOH  62   5.049 -16.918  -6.903
  Start of MODEL    4
    1    H    LEU   1           H        LEU   1 -12.216   8.458  -0.635
    2    HA   LEU   1           HA       LEU   1 -12.068   6.844  -2.159
    3   1HB   LEU   1          1HB       LEU   1  -9.160   7.031  -1.465
    4   2HB   LEU   1          2HB       LEU   1  -9.740   5.684  -2.425
    5    HG   LEU   1           HG       LEU   1 -10.711   8.251  -3.433
    6   1HD1  LEU   1          1HD1      LEU   1  -7.936   8.152  -4.210
    7   2HD1  LEU   1          2HD1      LEU   1  -8.876   9.495  -3.516
    8   1HD2  LEU   1          1HD2      LEU   1  -9.698   5.679  -4.419
    9   2HD2  LEU   1          2HD2      LEU   1 -10.939   6.765  -5.089
   10    H    LYS   2           H        LYS   2 -12.304   4.511  -2.184
   11    HA   LYS   2           HA       LYS   2 -12.270   3.428   0.544
   12   1HB   LYS   2          1HB       LYS   2 -14.100   1.982  -0.166
   13   2HB   LYS   2          2HB       LYS   2 -14.508   3.670  -0.397
   14   1HG   LYS   2          1HG       LYS   2 -13.859   3.477  -2.821
   15   2HG   LYS   2          2HG       LYS   2 -13.507   1.777  -2.578
   16   1HD   LYS   2          1HD       LYS   2 -15.864   1.351  -1.925
   17   2HD   LYS   2          2HD       LYS   2 -16.233   3.059  -2.065
   18   1HE   LYS   2          1HE       LYS   2 -16.762   2.677  -4.241
   19   2HE   LYS   2          2HE       LYS   2 -15.053   2.437  -4.545
   20   1HZ   LYS   2          1HZ       LYS   2 -16.049   0.109  -3.428
   21   2HZ   LYS   2          2HZ       LYS   2 -17.082   0.548  -4.615
   22    H    CYS   3           H        CYS   3 -10.765   1.915   0.979
   23    HA   CYS   3           HA       CYS   3  -9.826   0.323  -1.293
   24   1HB   CYS   3          1HB       CYS   3  -8.253   1.870   0.713
   25   2HB   CYS   3          2HB       CYS   3  -7.627   0.312   0.214
   26    H    LYS   4           H        LYS   4  -8.354  -1.594  -0.059
   27    HA   LYS   4           HA       LYS   4 -10.317  -2.831   1.701
   28   1HB   LYS   4          1HB       LYS   4  -8.036  -3.885   0.026
   29   2HB   LYS   4          2HB       LYS   4  -8.809  -4.870   1.251
   30   1HG   LYS   4          1HG       LYS   4 -10.868  -3.568  -0.324
   31   2HG   LYS   4          2HG       LYS   4  -9.726  -4.326  -1.415
   32   1HD   LYS   4          1HD       LYS   4 -10.040  -6.497  -0.412
   33   2HD   LYS   4          2HD       LYS   4 -10.851  -5.820   0.987
   34   1HE   LYS   4          1HE       LYS   4 -12.529  -4.891  -0.938
   35   2HE   LYS   4          2HE       LYS   4 -11.919  -6.299  -1.783
   36   1HZ   LYS   4          1HZ       LYS   4 -13.869  -6.306   0.069
   37   2HZ   LYS   4          2HZ       LYS   4 -13.055  -7.624  -0.447
   38    H    LYS   5           H        LYS   5  -9.812  -3.615   3.785
   39    HA   LYS   5           HA       LYS   5  -7.713  -2.122   5.061
   40   1HB   LYS   5          1HB       LYS   5  -9.832  -4.022   6.100
   41   2HB   LYS   5          2HB       LYS   5  -8.655  -3.227   7.125
   42   1HG   LYS   5          1HG       LYS   5  -9.615  -1.096   5.624
   43   2HG   LYS   5          2HG       LYS   5 -11.045  -2.098   5.766
   44   1HD   LYS   5          1HD       LYS   5  -9.347  -1.488   8.210
   45   2HD   LYS   5          2HD       LYS   5 -10.538  -0.333   7.648
   46   1HE   LYS   5          1HE       LYS   5 -12.088  -2.569   7.619
   47   2HE   LYS   5          2HE       LYS   5 -10.949  -3.052   8.861
   48   1HZ   LYS   5          1HZ       LYS   5 -11.613  -0.462   9.427
   49   2HZ   LYS   5          2HZ       LYS   5 -13.027  -1.174   9.024
   50    H    LEU   6           H        LEU   6  -6.702  -3.741   7.016
   51    HA   LEU   6           HA       LEU   6  -4.596  -4.967   5.885
   52   1HB   LEU   6          1HB       LEU   6  -6.029  -5.254   8.469
   53   2HB   LEU   6          2HB       LEU   6  -4.855  -6.493   8.072
   54    HG   LEU   6           HG       LEU   6  -3.498  -4.126   7.524
   55   1HD1  LEU   6          1HD1      LEU   6  -5.084  -3.771  10.082
   56   2HD1  LEU   6          2HD1      LEU   6  -3.750  -2.736   9.517
   57   1HD2  LEU   6          1HD2      LEU   6  -2.112  -5.564   8.536
   58   2HD2  LEU   6          2HD2      LEU   6  -2.649  -4.782  10.043
   59    H    VAL   7           H        VAL   7  -7.385  -6.899   7.190
   60    HA   VAL   7           HA       VAL   7  -6.637  -9.062   5.438
   61    HB   VAL   7           HB       VAL   7  -8.882  -8.740   7.440
   62   1HG1  VAL   7          1HG1      VAL   7  -7.845 -11.227   6.036
   63   2HG1  VAL   7          2HG1      VAL   7  -9.064 -11.196   7.333
   64   1HG2  VAL   7          1HG2      VAL   7  -7.224 -10.510   8.591
   65   2HG2  VAL   7          2HG2      VAL   7  -6.028  -9.574   7.663
   66    HA   PRO   8           HA       PRO   8  -9.395  -7.850   2.317
   67   1HB   PRO   8          1HB       PRO   8  -9.243 -10.074   0.735
   68   2HB   PRO   8          2HB       PRO   8  -8.061  -8.781   0.687
   69   1HG   PRO   8          1HG       PRO   8  -7.819 -11.471   1.890
   70   2HG   PRO   8          2HG       PRO   8  -6.549 -10.344   1.457
   71   1HD   PRO   8          1HD       PRO   8  -7.539 -10.884   4.095
   72   2HD   PRO   8          2HD       PRO   8  -6.351  -9.675   3.648
   73    H    LEU   9           H        LEU   9 -10.786  -8.288   4.513
   74    HA   LEU   9           HA       LEU   9 -12.829 -10.183   3.578
   75   1HB   LEU   9          1HB       LEU   9 -11.803  -9.538   6.324
   76   2HB   LEU   9          2HB       LEU   9 -13.430 -10.150   6.103
   77    HG   LEU   9           HG       LEU   9 -10.964 -11.578   5.079
   78   1HD1  LEU   9          1HD1      LEU   9 -12.291 -12.774   7.391
   79   2HD1  LEU   9          2HD1      LEU   9 -10.563 -12.493   7.072
   80   1HD2  LEU   9          1HD2      LEU   9 -13.833 -12.024   4.837
   81   2HD2  LEU   9          2HD2      LEU   9 -12.475 -12.776   3.966
   82    H    PHE  10           H        PHE  10 -12.045  -6.953   4.882
   83    HA   PHE  10           HA       PHE  10 -14.692  -6.102   3.998
   84   1HB   PHE  10          1HB       PHE  10 -13.342  -5.152   6.581
   85   2HB   PHE  10          2HB       PHE  10 -15.014  -4.913   6.116
   86    HD1  PHE  10           1HD      PHE  10 -16.672  -6.540   6.617
   87    HD2  PHE  10           2HD      PHE  10 -12.575  -7.430   7.275
   88    HE1  PHE  10           1HE      PHE  10 -17.324  -8.590   7.911
   89    HE2  PHE  10           2HE      PHE  10 -13.228  -9.479   8.569
   90    HZ   PHE  10           HZ       PHE  10 -15.594 -10.035   8.871
   91    H    SER  11           H        SER  11 -14.818  -3.761   3.558
   92    HA   SER  11           HA       SER  11 -12.150  -2.670   3.103
   93   1HB   SER  11          1HB       SER  11 -13.319  -1.376   1.198
   94   2HB   SER  11          2HB       SER  11 -13.029  -3.085   0.942
   95    HG   SER  11           HG       SER  11 -15.176  -3.547   1.163
   96    H    LYS  12           H        LYS  12 -11.940  -0.305   3.339
   97    HA   LYS  12           HA       LYS  12 -14.202   1.052   4.544
   98   1HB   LYS  12          1HB       LYS  12 -11.840   0.114   6.057
   99   2HB   LYS  12          2HB       LYS  12 -12.249   1.799   6.302
  100   1HG   LYS  12          1HG       LYS  12 -14.734   0.409   6.336
  101   2HG   LYS  12          2HG       LYS  12 -13.632  -0.587   7.266
  102   1HD   LYS  12          1HD       LYS  12 -13.100   1.235   8.772
  103   2HD   LYS  12          2HD       LYS  12 -13.865   2.416   7.728
  104   1HE   LYS  12          1HE       LYS  12 -15.749   2.138   8.970
  105   2HE   LYS  12          2HE       LYS  12 -15.924   0.570   8.207
  106   1HZ   LYS  12          1HZ       LYS  12 -15.904   0.367  10.578
  107   2HZ   LYS  12          2HZ       LYS  12 -14.572  -0.361   9.975
  108    H    THR  13           H        THR  13 -13.880   3.413   4.610
  109    HA   THR  13           HA       THR  13 -12.133   4.218   2.415
  110    HB   THR  13           HB       THR  13 -14.527   5.431   3.871
  111    HG1  THR  13           1HG      THR  13 -14.683   3.775   2.106
  112   1HG2  THR  13          1HG2      THR  13 -12.400   6.882   2.581
  113   2HG2  THR  13          2HG2      THR  13 -13.778   6.845   1.454
  114    H    CYS  14           H        CYS  14 -10.241   5.224   2.675
  115    HA   CYS  14           HA       CYS  14  -9.183   5.564   5.232
  116   1HB   CYS  14          1HB       CYS  14  -8.118   7.023   2.835
  117   2HB   CYS  14          2HB       CYS  14  -7.247   6.335   4.192
  118    HA   PRO  15           HA       PRO  15 -10.814   9.506   6.154
  119   1HB   PRO  15          1HB       PRO  15  -9.230  10.184   8.275
  120   2HB   PRO  15          2HB       PRO  15 -10.625   9.133   8.418
  121   1HG   PRO  15          1HG       PRO  15  -7.756   8.420   8.443
  122   2HG   PRO  15          2HG       PRO  15  -9.126   7.479   8.999
  123   1HD   PRO  15          1HD       PRO  15  -7.668   7.109   6.557
  124   2HD   PRO  15          2HD       PRO  15  -9.107   6.245   7.059
  125    H    ALA  16           H        ALA  16 -10.027  11.872   6.758
  126    HA   ALA  16           HA       ALA  16  -8.787  12.786   4.460
  127   1HB   ALA  16          1HB       ALA  16  -8.705  14.922   5.626
  128   2HB   ALA  16          2HB       ALA  16 -10.225  14.093   6.041
  129    H    GLY  17           H        GLY  17  -6.658  13.417   3.945
  130   1HA   GLY  17          1HA       GLY  17  -4.411  13.804   4.485
  131   2HA   GLY  17          2HA       GLY  17  -4.578  12.835   5.936
  132    H    LYS  18           H        LYS  18  -5.895  10.521   4.878
  133    HA   LYS  18           HA       LYS  18  -3.640   9.370   3.450
  134   1HB   LYS  18          1HB       LYS  18  -6.030   7.890   4.554
  135   2HB   LYS  18          2HB       LYS  18  -4.434   7.267   4.190
  136   1HG   LYS  18          1HG       LYS  18  -3.721   9.185   5.977
  137   2HG   LYS  18          2HG       LYS  18  -5.350   8.886   6.550
  138   1HD   LYS  18          1HD       LYS  18  -4.424   6.300   6.182
  139   2HD   LYS  18          2HD       LYS  18  -2.953   7.124   6.658
  140   1HE   LYS  18          1HE       LYS  18  -3.708   7.539   8.803
  141   2HE   LYS  18          2HE       LYS  18  -5.359   7.815   8.287
  142   1HZ   LYS  18          1HZ       LYS  18  -5.691   5.803   9.123
  143   2HZ   LYS  18          2HZ       LYS  18  -5.015   5.220   7.756
  144    H    ASN  19           H        ASN  19  -3.894  10.205   1.341
  145    HA   ASN  19           HA       ASN  19  -6.405   9.464   0.073
  146   1HB   ASN  19          1HB       ASN  19  -4.378  11.650  -0.363
  147   2HB   ASN  19          2HB       ASN  19  -5.159  11.020  -1.799
  148   1HD2  ASN  19          1HD2      ASN  19  -7.361  11.246  -2.101
  149   2HD2  ASN  19          2HD2      ASN  19  -8.336  12.359  -1.200
  150    H    LEU  20           H        LEU  20  -3.616   8.008   0.715
  151    HA   LEU  20           HA       LEU  20  -3.381   6.855  -1.965
  152   1HB   LEU  20          1HB       LEU  20  -1.139   7.824  -0.199
  153   2HB   LEU  20          2HB       LEU  20  -0.897   6.655  -1.482
  154    HG   LEU  20           HG       LEU  20  -2.146   9.352  -2.017
  155   1HD1  LEU  20          1HD1      LEU  20   0.787   8.840  -2.431
  156   2HD1  LEU  20          2HD1      LEU  20  -0.095  10.383  -2.336
  157   1HD2  LEU  20          1HD2      LEU  20  -1.874   8.906  -4.240
  158   2HD2  LEU  20          2HD2      LEU  20  -0.474   7.840  -3.976
  159    H    CYS  21           H        CYS  21  -3.462   4.652  -1.976
  160    HA   CYS  21           HA       CYS  21  -3.663   3.404   0.639
  161   1HB   CYS  21          1HB       CYS  21  -4.356   2.337  -2.106
  162   2HB   CYS  21          2HB       CYS  21  -4.601   1.488  -0.593
  163    H    TYR  22           H        TYR  22  -2.074   2.005   1.396
  164    HA   TYR  22           HA       TYR  22   0.130   1.447  -0.470
  165   1HB   TYR  22          1HB       TYR  22   1.529   1.728   1.460
  166   2HB   TYR  22          2HB       TYR  22   0.264   2.900   1.774
  167    HD1  TYR  22           1HD      TYR  22   1.372  -0.566   2.574
  168    HD2  TYR  22           2HD      TYR  22  -1.102   2.736   3.705
  169    HE1  TYR  22           1HE      TYR  22   0.866  -1.696   4.795
  170    HE2  TYR  22           2HE      TYR  22  -1.600   1.595   5.921
  171    HH   TYR  22           HH       TYR  22   0.150  -1.204   6.940
  172    H    LYS  23           H        LYS  23   1.200  -0.646  -0.297
  173    HA   LYS  23           HA       LYS  23  -0.316  -2.669   1.153
  174   1HB   LYS  23          1HB       LYS  23  -1.395  -2.849  -0.925
  175   2HB   LYS  23          2HB       LYS  23   0.077  -2.570  -1.833
  176   1HG   LYS  23          1HG       LYS  23   0.965  -4.769  -0.772
  177   2HG   LYS  23          2HG       LYS  23  -0.682  -5.060  -0.251
  178   1HD   LYS  23          1HD       LYS  23  -0.919  -6.069  -2.292
  179   2HD   LYS  23          2HD       LYS  23  -1.117  -4.434  -2.892
  180   1HE   LYS  23          1HE       LYS  23   0.940  -4.420  -3.923
  181   2HE   LYS  23          2HE       LYS  23   1.724  -5.263  -2.602
  182   1HZ   LYS  23          1HZ       LYS  23   0.956  -6.333  -4.983
  183   2HZ   LYS  23          2HZ       LYS  23   1.488  -7.156  -3.677
  184    H    MET  24           H        MET  24   1.106  -3.725   2.418
  185    HA   MET  24           HA       MET  24   3.881  -3.659   1.592
  186   1HB   MET  24          1HB       MET  24   2.425  -4.283   4.210
  187   2HB   MET  24          2HB       MET  24   4.141  -4.591   4.029
  188   1HG   MET  24          1HG       MET  24   4.318  -2.100   3.250
  189   2HG   MET  24          2HG       MET  24   2.702  -1.911   3.900
  190   1HE   MET  24          1HE       MET  24   2.717  -0.566   5.484
  191   2HE   MET  24          2HE       MET  24   2.436  -1.593   6.910
  192    H    PHE  25           H        PHE  25   4.913  -5.443   0.784
  193    HA   PHE  25           HA       PHE  25   3.862  -8.061   1.493
  194   1HB   PHE  25          1HB       PHE  25   3.546  -8.662  -0.817
  195   2HB   PHE  25          2HB       PHE  25   2.903  -7.034  -0.744
  196    HD1  PHE  25           1HD      PHE  25   5.657  -9.118  -1.946
  197    HD2  PHE  25           2HD      PHE  25   4.078  -5.182  -1.790
  198    HE1  PHE  25           1HE      PHE  25   7.237  -8.412  -3.764
  199    HE2  PHE  25           2HE      PHE  25   5.658  -4.476  -3.608
  200    HZ   PHE  25           HZ       PHE  25   7.219  -6.099  -4.573
  201    H    MET  26           H        MET  26   5.429  -9.740   1.397
  202    HA   MET  26           HA       MET  26   8.096  -8.753   1.534
  203   1HB   MET  26          1HB       MET  26   6.837 -11.539   1.778
  204   2HB   MET  26          2HB       MET  26   8.551 -11.254   2.012
  205   1HG   MET  26          1HG       MET  26   7.441  -9.310   3.657
  206   2HG   MET  26          2HG       MET  26   6.266 -10.602   3.804
  207   1HE   MET  26          1HE       MET  26   7.601 -11.898   6.783
  208   2HE   MET  26          2HE       MET  26   6.277 -11.437   5.686
  209    H    VAL  27           H        VAL  27   9.899  -9.417   0.210
  210    HA   VAL  27           HA       VAL  27   9.327  -9.556  -2.513
  211    HB   VAL  27           HB       VAL  27  11.388  -8.687  -1.383
  212   1HG1  VAL  27          1HG1      VAL  27  13.224 -10.474  -1.111
  213   2HG1  VAL  27          2HG1      VAL  27  11.998 -10.341   0.172
  214   1HG2  VAL  27          1HG2      VAL  27  12.263 -10.679  -3.449
  215   2HG2  VAL  27          2HG2      VAL  27  11.066  -9.440  -3.895
  216    H    ALA  28           H        ALA  28   9.138 -11.956  -0.059
  217    HA   ALA  28           HA       ALA  28  10.031 -14.260  -1.037
  218   1HB   ALA  28          1HB       ALA  28   7.228 -13.764   0.047
  219   2HB   ALA  28          2HB       ALA  28   8.082 -15.326   0.033
  220    H    ALA  29           H        ALA  29   7.209 -12.409  -2.288
  221    HA   ALA  29           HA       ALA  29   7.500 -13.767  -4.810
  222   1HB   ALA  29          1HB       ALA  29   5.960 -15.349  -4.305
  223   2HB   ALA  29          2HB       ALA  29   5.407 -14.477  -2.855
  224    HA   PRO  30           HA       PRO  30   6.130  -9.860  -6.062
  225   1HB   PRO  30          1HB       PRO  30   5.347 -10.353  -8.634
  226   2HB   PRO  30          2HB       PRO  30   7.022 -10.138  -8.167
  227   1HG   PRO  30          1HG       PRO  30   5.596 -12.634  -8.855
  228   2HG   PRO  30          2HG       PRO  30   7.322 -12.334  -8.804
  229   1HD   PRO  30          1HD       PRO  30   5.766 -13.741  -6.848
  230   2HD   PRO  30          2HD       PRO  30   7.469 -13.341  -6.742
  231    H    HIS  31           H        HIS  31   3.967 -12.501  -6.041
  232    HA   HIS  31           HA       HIS  31   1.802 -10.547  -5.810
  233   1HB   HIS  31          1HB       HIS  31   1.845 -11.751  -8.038
  234   2HB   HIS  31          2HB       HIS  31   1.535 -13.240  -7.167
  235    HD1  HIS  31           1HD      HIS  31  -0.724 -12.850  -5.390
  236    HD2  HIS  31           2HD      HIS  31  -0.477 -10.701  -8.984
  237    HE1  HIS  31           1HE      HIS  31  -3.099 -12.093  -5.934
  238    H    VAL  32           H        VAL  32   2.813 -10.984  -3.497
  239    HA   VAL  32           HA       VAL  32   0.985 -12.819  -2.236
  240    HB   VAL  32           HB       VAL  32   3.975 -13.205  -2.194
  241   1HG1  VAL  32          1HG1      VAL  32   3.781 -13.591   0.016
  242   2HG1  VAL  32          2HG1      VAL  32   2.005 -13.685  -0.057
  243   1HG2  VAL  32          1HG2      VAL  32   1.633 -15.029  -2.824
  244   2HG2  VAL  32          2HG2      VAL  32   2.870 -14.425  -3.953
  245    HA   PRO  33           HA       PRO  33   1.688  -9.014   0.028
  246   1HB   PRO  33          1HB       PRO  33  -0.936  -8.453   0.543
  247   2HB   PRO  33          2HB       PRO  33  -0.078  -7.827  -0.851
  248   1HG   PRO  33          1HG       PRO  33  -2.086  -9.994  -0.730
  249   2HG   PRO  33          2HG       PRO  33  -1.542  -9.078  -2.122
  250   1HD   PRO  33          1HD       PRO  33  -0.791 -11.759  -1.432
  251   2HD   PRO  33          2HD       PRO  33  -0.160 -10.802  -2.757
  252    H    VAL  34           H        VAL  34   1.648  -8.467   2.253
  253    HA   VAL  34           HA       VAL  34   0.960 -10.850   3.821
  254    HB   VAL  34           HB       VAL  34   3.308 -10.266   3.837
  255   1HG1  VAL  34          1HG1      VAL  34   3.798  -8.097   3.491
  256   2HG1  VAL  34          2HG1      VAL  34   2.256  -7.537   4.183
  257   1HG2  VAL  34          1HG2      VAL  34   2.834 -11.221   5.871
  258   2HG2  VAL  34          2HG2      VAL  34   3.428  -9.633   6.413
  259    H    LYS  35           H        LYS  35   0.490  -7.345   3.383
  260    HA   LYS  35           HA       LYS  35  -1.963  -7.409   4.733
  261   1HB   LYS  35          1HB       LYS  35  -1.519  -6.239   6.752
  262   2HB   LYS  35          2HB       LYS  35  -0.435  -7.614   6.711
  263   1HG   LYS  35          1HG       LYS  35   1.010  -5.576   5.401
  264   2HG   LYS  35          2HG       LYS  35   0.200  -4.741   6.712
  265   1HD   LYS  35          1HD       LYS  35   1.088  -6.445   8.330
  266   2HD   LYS  35          2HD       LYS  35   1.919  -7.250   7.014
  267   1HE   LYS  35          1HE       LYS  35   3.682  -5.868   7.386
  268   2HE   LYS  35          2HE       LYS  35   2.709  -4.553   6.758
  269   1HZ   LYS  35          1HZ       LYS  35   3.666  -4.524   9.168
  270   2HZ   LYS  35          2HZ       LYS  35   2.223  -3.838   8.826
  271    H    ARG  36           H        ARG  36  -2.674  -4.971   5.113
  272    HA   ARG  36           HA       ARG  36  -1.349  -3.134   3.239
  273   1HB   ARG  36          1HB       ARG  36  -4.161  -4.220   2.847
  274   2HB   ARG  36          2HB       ARG  36  -3.557  -2.741   2.062
  275   1HG   ARG  36          1HG       ARG  36  -1.753  -4.005   0.989
  276   2HG   ARG  36          2HG       ARG  36  -2.250  -5.486   1.841
  277   1HD   ARG  36          1HD       ARG  36  -4.130  -3.936   0.030
  278   2HD   ARG  36          2HD       ARG  36  -3.069  -5.224  -0.580
  279    HE   ARG  36           HE       ARG  36  -5.450  -5.532   1.113
  280   1HH1  ARG  36          1HH1      ARG  36  -5.114  -9.039   0.959
  281   2HH1  ARG  36          2HH1      ARG  36  -6.154  -7.711   1.421
  282   1HH2  ARG  36          1HH2      ARG  36  -3.027  -8.613   0.036
  283   2HH2  ARG  36          2HH2      ARG  36  -2.494  -6.964  -0.197
  284    H    GLY  37           H        GLY  37  -2.712  -0.974   3.187
  285   1HA   GLY  37          1HA       GLY  37  -4.466  -0.381   5.295
  286   2HA   GLY  37          2HA       GLY  37  -2.834  -0.022   5.825
  287    H    CYS  38           H        CYS  38  -4.221   2.189   5.789
  288    HA   CYS  38           HA       CYS  38  -3.928   3.375   3.136
  289   1HB   CYS  38          1HB       CYS  38  -5.545   4.222   5.543
  290   2HB   CYS  38          2HB       CYS  38  -5.321   5.230   4.128
  291    H    ILE  39           H        ILE  39  -2.893   5.551   3.032
  292    HA   ILE  39           HA       ILE  39  -1.497   6.497   5.337
  293    HB   ILE  39           HB       ILE  39  -0.203   4.468   4.227
  294   1HG1  ILE  39          1HG1      ILE  39   1.894   6.230   4.801
  295   2HG1  ILE  39          2HG1      ILE  39   0.550   6.835   5.750
  296   1HG2  ILE  39          1HG2      ILE  39   1.560   5.364   2.690
  297   2HG2  ILE  39          2HG2      ILE  39  -0.073   5.291   1.987
  298   1HD1  ILE  39          1HD1      ILE  39   1.320   5.234   7.230
  299   2HD1  ILE  39          2HD1      ILE  39   0.235   4.198   6.272
  300    H    ASP  40           H        ASP  40   0.153   8.310   4.391
  301    HA   ASP  40           HA       ASP  40  -1.460   9.808   2.380
  302   1HB   ASP  40          1HB       ASP  40  -0.320  11.818   3.507
  303   2HB   ASP  40          2HB       ASP  40  -1.585  10.980   4.431
  304    HD2  ASP  40           HD       ASP  40   1.932  11.239   5.996
  305    H    VAL  41           H        VAL  41   1.787   8.770   3.465
  306    HA   VAL  41           HA       VAL  41   2.771   9.601   0.829
  307    HB   VAL  41           HB       VAL  41   3.450  11.171   2.653
  308   1HG1  VAL  41          1HG1      VAL  41   5.564   9.871   3.885
  309   2HG1  VAL  41          2HG1      VAL  41   3.990  10.251   4.625
  310   1HG2  VAL  41          1HG2      VAL  41   5.469   9.608   1.047
  311   2HG2  VAL  41          2HG2      VAL  41   4.821  11.241   0.761
  312    H    CYS  42           H        CYS  42   4.380   8.206  -0.087
  313    HA   CYS  42           HA       CYS  42   4.138   5.519   0.922
  314   1HB   CYS  42          1HB       CYS  42   4.113   6.469  -1.579
  315   2HB   CYS  42          2HB       CYS  42   5.832   6.161  -1.441
  316    HA   PRO  43           HA       PRO  43   8.011   5.874   2.936
  317   1HB   PRO  43          1HB       PRO  43   8.266   3.288   3.784
  318   2HB   PRO  43          2HB       PRO  43   7.332   4.493   4.649
  319   1HG   PRO  43          1HG       PRO  43   6.371   2.257   2.971
  320   2HG   PRO  43          2HG       PRO  43   5.491   3.191   4.164
  321   1HD   PRO  43          1HD       PRO  43   5.313   3.446   1.313
  322   2HD   PRO  43          2HD       PRO  43   4.522   4.456   2.506
  323    H    LYS  44           H        LYS  44  10.139   4.318   3.142
  324    HA   LYS  44           HA       LYS  44  11.044   4.342   0.413
  325   1HB   LYS  44          1HB       LYS  44  12.476   5.248   2.142
  326   2HB   LYS  44          2HB       LYS  44  12.429   3.745   3.041
  327   1HG   LYS  44          1HG       LYS  44  13.699   2.571   1.380
  328   2HG   LYS  44          2HG       LYS  44  13.415   3.802   0.166
  329   1HD   LYS  44          1HD       LYS  44  14.652   5.325   2.075
  330   2HD   LYS  44          2HD       LYS  44  15.391   3.773   2.417
  331   1HE   LYS  44          1HE       LYS  44  15.244   4.821  -0.433
  332   2HE   LYS  44          2HE       LYS  44  16.525   5.341   0.643
  333   1HZ   LYS  44          1HZ       LYS  44  17.542   3.468   0.156
  334   2HZ   LYS  44          2HZ       LYS  44  16.360   2.611   0.886
  335    H    SER  45           H        SER  45  11.726   2.547  -0.817
  336    HA   SER  45           HA       SER  45  10.573   0.065   0.158
  337   1HB   SER  45          1HB       SER  45  10.968   1.299  -2.539
  338   2HB   SER  45          2HB       SER  45  11.151  -0.442  -2.463
  339    HG   SER  45           HG       SER  45   8.929   0.325  -1.030
  340    H    SER  46           H        SER  46  11.908  -1.631   0.721
  341    HA   SER  46           HA       SER  46  14.721  -1.274   0.071
  342   1HB   SER  46          1HB       SER  46  15.243  -2.543   2.029
  343   2HB   SER  46          2HB       SER  46  13.971  -1.437   2.506
  344    HG   SER  46           HG       SER  46  13.972  -4.202   2.485
  345    H    LEU  47           H        LEU  47  15.879  -3.640   0.057
  346    HA   LEU  47           HA       LEU  47  14.759  -4.952  -2.200
  347   1HB   LEU  47          1HB       LEU  47  17.196  -5.269  -0.494
  348   2HB   LEU  47          2HB       LEU  47  16.733  -6.570  -1.573
  349    HG   LEU  47           HG       LEU  47  17.134  -3.723  -2.516
  350   1HD1  LEU  47          1HD1      LEU  47  19.158  -5.027  -1.401
  351   2HD1  LEU  47          2HD1      LEU  47  19.216  -5.804  -3.001
  352   1HD2  LEU  47          1HD2      LEU  47  17.076  -6.353  -4.022
  353   2HD2  LEU  47          2HD2      LEU  47  15.774  -5.141  -3.978
  354    H    LEU  48           H        LEU  48  15.263  -5.849   1.278
  355    HA   LEU  48           HA       LEU  48  14.211  -8.384   1.144
  356   1HB   LEU  48          1HB       LEU  48  15.345  -6.948   3.048
  357   2HB   LEU  48          2HB       LEU  48  13.683  -6.654   3.520
  358    HG   LEU  48           HG       LEU  48  14.610  -8.497   4.787
  359   1HD1  LEU  48          1HD1      LEU  48  12.623  -9.486   4.821
  360   2HD1  LEU  48          2HD1      LEU  48  12.201  -8.561   3.359
  361   1HD2  LEU  48          1HD2      LEU  48  15.648  -9.316   2.183
  362   2HD2  LEU  48          2HD2      LEU  48  16.198  -9.731   3.825
  363    H    VAL  49           H        VAL  49  12.422  -5.407   2.232
  364    HA   VAL  49           HA       VAL  49   9.995  -6.715   1.213
  365    HB   VAL  49           HB       VAL  49   8.805  -5.342   2.893
  366   1HG1  VAL  49          1HG1      VAL  49  10.935  -7.068   4.189
  367   2HG1  VAL  49          2HG1      VAL  49   9.276  -6.763   4.757
  368   1HG2  VAL  49          1HG2      VAL  49   9.960  -4.169   4.634
  369   2HG2  VAL  49          2HG2      VAL  49  11.542  -4.746   4.057
  370    H    LYS  50           H        LYS  50   8.467  -5.397   0.065
  371    HA   LYS  50           HA       LYS  50   9.551  -2.802  -0.770
  372   1HB   LYS  50          1HB       LYS  50   9.117  -5.176  -2.391
  373   2HB   LYS  50          2HB       LYS  50   8.146  -3.837  -2.967
  374   1HG   LYS  50          1HG       LYS  50  10.117  -2.387  -3.125
  375   2HG   LYS  50          2HG       LYS  50  11.124  -3.589  -2.342
  376   1HD   LYS  50          1HD       LYS  50  11.612  -4.425  -4.392
  377   2HD   LYS  50          2HD       LYS  50   9.952  -4.973  -4.510
  378   1HE   LYS  50          1HE       LYS  50   9.584  -3.495  -6.190
  379   2HE   LYS  50          2HE       LYS  50   9.919  -2.167  -5.096
  380   1HZ   LYS  50          1HZ       LYS  50  11.544  -1.894  -6.622
  381   2HZ   LYS  50          2HZ       LYS  50  12.356  -2.869  -5.594
  382    H    TYR  51           H        TYR  51   7.870  -1.285  -1.557
  383    HA   TYR  51           HA       TYR  51   5.194  -1.989  -0.581
  384   1HB   TYR  51          1HB       TYR  51   6.694   0.675  -0.226
  385   2HB   TYR  51          2HB       TYR  51   5.158   0.256   0.504
  386    HD1  TYR  51           1HD      TYR  51   8.094   1.084   1.614
  387    HD2  TYR  51           2HD      TYR  51   5.755  -2.497   1.519
  388    HE1  TYR  51           1HE      TYR  51   9.304   0.230   3.680
  389    HE2  TYR  51           2HE      TYR  51   6.972  -3.338   3.586
  390    HH   TYR  51           HH       TYR  51   8.462  -2.926   5.087
  391    H    VAL  52           H        VAL  52   3.513  -1.273  -1.864
  392    HA   VAL  52           HA       VAL  52   4.298   0.442  -4.120
  393    HB   VAL  52           HB       VAL  52   2.452  -1.946  -4.012
  394   1HG1  VAL  52          1HG1      VAL  52   1.419  -0.095  -5.307
  395   2HG1  VAL  52          2HG1      VAL  52   2.867  -0.042  -6.341
  396   1HG2  VAL  52          1HG2      VAL  52   4.005  -2.526  -6.044
  397   2HG2  VAL  52          2HG2      VAL  52   5.109  -1.352  -5.288
  398    H    CYS  53           H        CYS  53   3.053   2.247  -4.485
  399    HA   CYS  53           HA       CYS  53   0.698   2.500  -2.757
  400   1HB   CYS  53          1HB       CYS  53   2.803   4.527  -3.491
  401   2HB   CYS  53          2HB       CYS  53   1.208   5.013  -2.949
  402    H    CYS  54           H        CYS  54  -1.134   3.637  -3.729
  403    HA   CYS  54           HA       CYS  54  -0.939   4.481  -6.446
  404   1HB   CYS  54          1HB       CYS  54  -2.969   2.782  -6.912
  405   2HB   CYS  54          2HB       CYS  54  -1.301   2.467  -7.346
  406    H    ASN  55           H        ASN  55  -2.918   5.649  -7.065
  407    HA   ASN  55           HA       ASN  55  -4.565   6.201  -4.724
  408   1HB   ASN  55          1HB       ASN  55  -5.016   8.426  -5.871
  409   2HB   ASN  55          2HB       ASN  55  -3.336   8.195  -5.429
  410   1HD2  ASN  55          1HD2      ASN  55  -3.369   9.984  -7.133
  411   2HD2  ASN  55          2HD2      ASN  55  -3.068   9.508  -8.771
  412    H    THR  56           H        THR  56  -5.773   4.166  -5.580
  413    HA   THR  56           HA       THR  56  -7.897   5.049  -7.346
  414    HB   THR  56           HB       THR  56  -7.573   2.971  -8.780
  415    HG1  THR  56           1HG      THR  56  -5.124   3.062  -7.163
  416   1HG2  THR  56          1HG2      THR  56  -6.544   5.244  -9.443
  417   2HG2  THR  56          2HG2      THR  56  -5.029   4.664  -8.711
  418    H    ASP  57           H        ASP  57  -9.768   3.653  -7.252
  419    HA   ASP  57           HA       ASP  57 -10.286   2.764  -4.592
  420   1HB   ASP  57          1HB       ASP  57 -11.694   2.857  -7.206
  421   2HB   ASP  57          2HB       ASP  57 -12.261   1.614  -6.070
  422    HD2  ASP  57           HD       ASP  57 -13.879   4.858  -5.419
  423    H    LYS  58           H        LYS  58  -9.770   0.890  -3.597
  424    HA   LYS  58           HA       LYS  58  -9.041  -1.172  -3.291
  425   1HB   LYS  58          1HB       LYS  58 -11.316  -1.351  -4.865
  426   2HB   LYS  58          2HB       LYS  58 -10.174  -2.374  -5.714
  427   1HG   LYS  58          1HG       LYS  58  -9.645  -3.267  -3.236
  428   2HG   LYS  58          2HG       LYS  58 -11.253  -2.653  -2.908
  429   1HD   LYS  58          1HD       LYS  58 -12.153  -4.509  -3.842
  430   2HD   LYS  58          2HD       LYS  58 -11.432  -4.084  -5.381
  431   1HE   LYS  58          1HE       LYS  58  -9.521  -5.273  -3.430
  432   2HE   LYS  58          2HE       LYS  58 -10.810  -6.354  -3.920
  433   1HZ   LYS  58          1HZ       LYS  58 -10.237  -5.946  -6.200
  434   2HZ   LYS  58          2HZ       LYS  58  -9.079  -4.875  -5.778
  435    H    CYS  59           H        CYS  59  -7.042   0.351  -4.159
  436    HA   CYS  59           HA       CYS  59  -5.900  -0.874  -6.519
  437   1HB   CYS  59          1HB       CYS  59  -4.628   0.960  -6.730
  438   2HB   CYS  59          2HB       CYS  59  -5.861   1.672  -5.709
  439    H    ASN  60           H        ASN  60  -5.262  -0.408  -2.977
  440    HA   ASN  60           HA       ASN  60  -3.006  -2.134  -3.091
  441   1HB   ASN  60          1HB       ASN  60  -2.777  -1.658  -0.732
  442   2HB   ASN  60          2HB       ASN  60  -3.338  -0.166  -1.462
  443   1HD2  ASN  60          1HD2      ASN  60  -3.593  -0.875   1.253
  444   2HD2  ASN  60          2HD2      ASN  60  -5.272  -0.991   1.659
  445   1H    HOH  61          1H        HOH  61   5.183 -11.434   2.169
  446   2H    HOH  61          2H        HOH  61   5.661 -11.334   0.736
  447   1H    HOH  62          1H        HOH  62   9.210 -11.681  -6.396
  448   2H    HOH  62          2H        HOH  62  10.329 -12.231  -7.253
  Start of MODEL    5
    1    H    LEU   1           H        LEU   1  -9.278   8.177  -0.531
    2    HA   LEU   1           HA       LEU   1 -11.147   7.304  -1.422
    3   1HB   LEU   1          1HB       LEU   1  -8.835   5.981  -2.807
    4   2HB   LEU   1          2HB       LEU   1 -10.482   5.667  -3.316
    5    HG   LEU   1           HG       LEU   1  -9.277   8.441  -3.158
    6   1HD1  LEU   1          1HD1      LEU   1  -8.654   6.395  -5.006
    7   2HD1  LEU   1          2HD1      LEU   1  -9.712   7.550  -5.852
    8   1HD2  LEU   1          1HD2      LEU   1 -11.459   8.083  -5.024
    9   2HD2  LEU   1          2HD2      LEU   1 -11.939   7.599  -3.379
   10    H    LYS   2           H        LYS   2 -12.194   5.011  -2.234
   11    HA   LYS   2           HA       LYS   2 -12.293   3.481   0.218
   12   1HB   LYS   2          1HB       LYS   2 -14.378   4.198  -0.820
   13   2HB   LYS   2          2HB       LYS   2 -13.956   3.389  -2.316
   14   1HG   LYS   2          1HG       LYS   2 -14.096   1.204  -1.300
   15   2HG   LYS   2          2HG       LYS   2 -14.110   1.873   0.320
   16   1HD   LYS   2          1HD       LYS   2 -16.382   1.596   0.140
   17   2HD   LYS   2          2HD       LYS   2 -16.307   3.138  -0.690
   18   1HE   LYS   2          1HE       LYS   2 -16.285   2.061  -2.873
   19   2HE   LYS   2          2HE       LYS   2 -16.032   0.479  -2.162
   20   1HZ   LYS   2          1HZ       LYS   2 -18.439   1.795  -2.614
   21   2HZ   LYS   2          2HZ       LYS   2 -18.205   0.286  -2.035
   22    H    CYS   3           H        CYS   3 -10.795   1.923   0.530
   23    HA   CYS   3           HA       CYS   3 -10.205   0.232  -1.786
   24   1HB   CYS   3          1HB       CYS   3  -8.261   1.365   0.226
   25   2HB   CYS   3          2HB       CYS   3  -7.892  -0.037  -0.758
   26    H    LYS   4           H        LYS   4  -8.754  -1.766  -0.537
   27    HA   LYS   4           HA       LYS   4 -10.753  -2.839   1.286
   28   1HB   LYS   4          1HB       LYS   4  -8.498  -4.107  -0.290
   29   2HB   LYS   4          2HB       LYS   4  -9.473  -4.984   0.872
   30   1HG   LYS   4          1HG       LYS   4 -10.964  -3.370  -1.176
   31   2HG   LYS   4          2HG       LYS   4 -10.125  -4.792  -1.763
   32   1HD   LYS   4          1HD       LYS   4 -11.275  -6.146   0.059
   33   2HD   LYS   4          2HD       LYS   4 -12.199  -4.717   0.478
   34   1HE   LYS   4          1HE       LYS   4 -13.628  -5.905  -1.008
   35   2HE   LYS   4          2HE       LYS   4 -12.936  -4.645  -2.010
   36   1HZ   LYS   4          1HZ       LYS   4 -11.179  -6.717  -2.161
   37   2HZ   LYS   4          2HZ       LYS   4 -12.645  -7.435  -2.234
   38    H    LYS   5           H        LYS   5 -10.100  -3.900   3.302
   39    HA   LYS   5           HA       LYS   5  -7.987  -2.368   4.566
   40   1HB   LYS   5          1HB       LYS   5 -10.332  -3.984   5.498
   41   2HB   LYS   5          2HB       LYS   5  -8.981  -3.764   6.591
   42   1HG   LYS   5          1HG       LYS   5  -9.132  -1.245   6.105
   43   2HG   LYS   5          2HG       LYS   5 -10.628  -1.572   5.252
   44   1HD   LYS   5          1HD       LYS   5 -11.776  -1.623   7.205
   45   2HD   LYS   5          2HD       LYS   5 -10.756  -2.915   7.806
   46   1HE   LYS   5          1HE       LYS   5  -9.116  -0.632   7.999
   47   2HE   LYS   5          2HE       LYS   5 -10.701  -0.040   8.454
   48   1HZ   LYS   5          1HZ       LYS   5  -9.401  -2.408   9.613
   49   2HZ   LYS   5          2HZ       LYS   5  -9.495  -0.940  10.323
   50    H    LEU   6           H        LEU   6  -7.071  -4.100   6.531
   51    HA   LEU   6           HA       LEU   6  -4.982  -5.346   5.382
   52   1HB   LEU   6          1HB       LEU   6  -6.478  -5.763   7.931
   53   2HB   LEU   6          2HB       LEU   6  -5.229  -6.913   7.497
   54    HG   LEU   6           HG       LEU   6  -3.823  -4.658   7.129
   55   1HD1  LEU   6          1HD1      LEU   6  -4.913  -3.578   9.542
   56   2HD1  LEU   6          2HD1      LEU   6  -4.725  -2.807   7.948
   57   1HD2  LEU   6          1HD2      LEU   6  -3.339  -4.950   9.750
   58   2HD2  LEU   6          2HD2      LEU   6  -4.250  -6.451   9.459
   59    H    VAL   7           H        VAL   7  -7.895  -7.189   6.544
   60    HA   VAL   7           HA       VAL   7  -7.187  -9.302   4.690
   61    HB   VAL   7           HB       VAL   7  -9.209  -9.010   6.911
   62   1HG1  VAL   7          1HG1      VAL   7  -9.992 -11.222   6.525
   63   2HG1  VAL   7          2HG1      VAL   7 -10.065 -10.388   4.954
   64   1HG2  VAL   7          1HG2      VAL   7  -7.705 -11.157   7.554
   65   2HG2  VAL   7          2HG2      VAL   7  -6.513 -10.229   6.611
   66    HA   PRO   8           HA       PRO   8 -10.059  -7.944   1.745
   67   1HB   PRO   8          1HB       PRO   8 -10.135 -10.155   0.141
   68   2HB   PRO   8          2HB       PRO   8  -8.876  -8.941   0.040
   69   1HG   PRO   8          1HG       PRO   8  -8.745 -11.654   1.207
   70   2HG   PRO   8          2HG       PRO   8  -7.430 -10.605   0.716
   71   1HD   PRO   8          1HD       PRO   8  -8.312 -11.111   3.398
   72   2HD   PRO   8          2HD       PRO   8  -7.074  -9.975   2.898
   73    H    LEU   9           H        LEU   9 -11.352  -8.328   4.016
   74    HA   LEU   9           HA       LEU   9 -13.575 -10.048   3.157
   75   1HB   LEU   9          1HB       LEU   9 -12.195  -9.722   5.767
   76   2HB   LEU   9          2HB       LEU   9 -13.938  -9.905   5.808
   77    HG   LEU   9           HG       LEU   9 -12.044 -11.845   4.452
   78   1HD1  LEU   9          1HD1      LEU   9 -13.211 -13.121   6.633
   79   2HD1  LEU   9          2HD1      LEU   9 -11.528 -12.560   6.494
   80   1HD2  LEU   9          1HD2      LEU   9 -14.711 -12.781   5.228
   81   2HD2  LEU   9          2HD2      LEU   9 -14.734 -11.493   4.000
   82    H    PHE  10           H        PHE  10 -12.476  -6.943   4.540
   83    HA   PHE  10           HA       PHE  10 -15.144  -5.898   3.940
   84   1HB   PHE  10          1HB       PHE  10 -13.358  -5.082   6.299
   85   2HB   PHE  10          2HB       PHE  10 -15.035  -4.636   6.058
   86    HD1  PHE  10           1HD      PHE  10 -16.820  -6.148   6.642
   87    HD2  PHE  10           2HD      PHE  10 -12.770  -7.343   7.059
   88    HE1  PHE  10           1HE      PHE  10 -17.542  -8.109   8.032
   89    HE2  PHE  10           2HE      PHE  10 -13.491  -9.304   8.449
   90    HZ   PHE  10           HZ       PHE  10 -15.869  -9.664   8.919
   91    H    SER  11           H        SER  11 -15.116  -3.438   3.746
   92    HA   SER  11           HA       SER  11 -12.505  -2.610   2.743
   93   1HB   SER  11          1HB       SER  11 -13.867  -1.145   1.123
   94   2HB   SER  11          2HB       SER  11 -13.840  -2.866   0.794
   95    HG   SER  11           HG       SER  11 -16.000  -1.810   0.696
   96    H    LYS  12           H        LYS  12 -12.147  -0.194   2.832
   97    HA   LYS  12           HA       LYS  12 -13.938   1.261   4.570
   98   1HB   LYS  12          1HB       LYS  12 -12.049  -0.153   5.866
   99   2HB   LYS  12          2HB       LYS  12 -11.105   1.274   5.489
  100   1HG   LYS  12          1HG       LYS  12 -13.536   2.359   6.351
  101   2HG   LYS  12          2HG       LYS  12 -13.356   0.956   7.385
  102   1HD   LYS  12          1HD       LYS  12 -11.510   1.816   8.475
  103   2HD   LYS  12          2HD       LYS  12 -10.872   2.572   7.029
  104   1HE   LYS  12          1HE       LYS  12 -12.086   4.536   7.339
  105   2HE   LYS  12          2HE       LYS  12 -13.429   3.717   8.112
  106   1HZ   LYS  12          1HZ       LYS  12 -12.404   4.785   9.835
  107   2HZ   LYS  12          2HZ       LYS  12 -11.727   3.304   9.960
  108    H    THR  13           H        THR  13 -12.850   3.590   4.919
  109    HA   THR  13           HA       THR  13 -11.604   4.314   2.349
  110    HB   THR  13           HB       THR  13 -13.821   5.701   3.943
  111    HG1  THR  13           1HG      THR  13 -14.585   4.038   2.550
  112   1HG2  THR  13          1HG2      THR  13 -13.619   6.898   1.429
  113   2HG2  THR  13          2HG2      THR  13 -13.039   7.624   2.947
  114    H    CYS  14           H        CYS  14  -9.668   5.249   2.497
  115    HA   CYS  14           HA       CYS  14  -8.421   5.609   4.930
  116   1HB   CYS  14          1HB       CYS  14  -7.637   7.142   2.464
  117   2HB   CYS  14          2HB       CYS  14  -6.613   6.515   3.740
  118    HA   PRO  15           HA       PRO  15 -10.322   9.420   6.027
  119   1HB   PRO  15          1HB       PRO  15  -9.178   9.699   8.493
  120   2HB   PRO  15          2HB       PRO  15 -10.622   8.749   8.209
  121   1HG   PRO  15          1HG       PRO  15  -7.860   7.819   8.701
  122   2HG   PRO  15          2HG       PRO  15  -9.360   6.924   8.838
  123   1HD   PRO  15          1HD       PRO  15  -7.449   6.756   6.705
  124   2HD   PRO  15          2HD       PRO  15  -9.003   5.949   6.787
  125    H    ALA  16           H        ALA  16  -9.656  11.657   6.923
  126    HA   ALA  16           HA       ALA  16  -8.044  12.853   5.155
  127   1HB   ALA  16          1HB       ALA  16  -9.465  13.828   7.063
  128   2HB   ALA  16          2HB       ALA  16  -8.028  13.615   8.091
  129    H    GLY  17           H        GLY  17  -5.801  13.643   5.184
  130   1HA   GLY  17          1HA       GLY  17  -3.590  13.542   5.795
  131   2HA   GLY  17          2HA       GLY  17  -3.950  12.303   6.980
  132    H    LYS  18           H        LYS  18  -5.114  10.235   5.675
  133    HA   LYS  18           HA       LYS  18  -3.090   9.539   3.669
  134   1HB   LYS  18          1HB       LYS  18  -3.945   7.149   4.344
  135   2HB   LYS  18          2HB       LYS  18  -2.765   7.993   5.326
  136   1HG   LYS  18          1HG       LYS  18  -4.546   8.788   6.851
  137   2HG   LYS  18          2HG       LYS  18  -5.777   8.065   5.835
  138   1HD   LYS  18          1HD       LYS  18  -5.572   6.195   7.109
  139   2HD   LYS  18          2HD       LYS  18  -4.034   5.925   6.313
  140   1HE   LYS  18          1HE       LYS  18  -4.009   7.866   8.601
  141   2HE   LYS  18          2HE       LYS  18  -4.294   6.188   9.019
  142   1HZ   LYS  18          1HZ       LYS  18  -1.916   7.421   8.062
  143   2HZ   LYS  18          2HZ       LYS  18  -2.102   6.031   8.899
  144    H    ASN  19           H        ASN  19  -3.908  10.038   1.683
  145    HA   ASN  19           HA       ASN  19  -6.663   9.207   1.225
  146   1HB   ASN  19          1HB       ASN  19  -4.975  11.489   0.210
  147   2HB   ASN  19          2HB       ASN  19  -6.110  10.795  -0.931
  148   1HD2  ASN  19          1HD2      ASN  19  -5.724  12.365   2.176
  149   2HD2  ASN  19          2HD2      ASN  19  -7.349  12.932   2.368
  150    H    LEU  20           H        LEU  20  -3.706   7.941   1.012
  151    HA   LEU  20           HA       LEU  20  -4.136   6.859  -1.685
  152   1HB   LEU  20          1HB       LEU  20  -1.519   7.551  -0.346
  153   2HB   LEU  20          2HB       LEU  20  -1.664   6.630  -1.830
  154    HG   LEU  20           HG       LEU  20  -3.112   9.153  -2.001
  155   1HD1  LEU  20          1HD1      LEU  20  -1.487   9.994  -0.430
  156   2HD1  LEU  20          2HD1      LEU  20  -0.152   9.283  -1.367
  157   1HD2  LEU  20          1HD2      LEU  20  -2.363   7.562  -3.847
  158   2HD2  LEU  20          2HD2      LEU  20  -2.090   9.301  -4.114
  159    H    CYS  21           H        CYS  21  -4.297   4.665  -1.806
  160    HA   CYS  21           HA       CYS  21  -4.201   3.250   0.693
  161   1HB   CYS  21          1HB       CYS  21  -4.769   1.999  -1.980
  162   2HB   CYS  21          2HB       CYS  21  -5.320   1.506  -0.391
  163    H    TYR  22           H        TYR  22  -2.662   1.643   1.233
  164    HA   TYR  22           HA       TYR  22  -0.552   1.168  -0.751
  165   1HB   TYR  22          1HB       TYR  22   1.079   1.760   0.909
  166   2HB   TYR  22          2HB       TYR  22  -0.182   2.937   1.218
  167    HD1  TYR  22           1HD      TYR  22   1.115  -0.377   2.343
  168    HD2  TYR  22           2HD      TYR  22  -1.220   3.069   3.335
  169    HE1  TYR  22           1HE      TYR  22   0.954  -1.170   4.753
  170    HE2  TYR  22           2HE      TYR  22  -1.373   2.264   5.741
  171    HH   TYR  22           HH       TYR  22  -1.026  -0.591   6.710
  172    H    LYS  23           H        LYS  23   0.831  -0.770  -0.137
  173    HA   LYS  23           HA       LYS  23  -0.450  -2.621   1.676
  174   1HB   LYS  23          1HB       LYS  23  -0.852  -4.344   0.068
  175   2HB   LYS  23          2HB       LYS  23  -1.682  -2.898  -0.472
  176   1HG   LYS  23          1HG       LYS  23   0.376  -2.388  -1.926
  177   2HG   LYS  23          2HG       LYS  23   0.972  -3.984  -1.514
  178   1HD   LYS  23          1HD       LYS  23  -1.671  -4.488  -2.297
  179   2HD   LYS  23          2HD       LYS  23  -1.177  -3.211  -3.391
  180   1HE   LYS  23          1HE       LYS  23   0.792  -4.508  -4.104
  181   2HE   LYS  23          2HE       LYS  23   0.464  -5.742  -2.903
  182   1HZ   LYS  23          1HZ       LYS  23  -0.913  -5.209  -5.388
  183   2HZ   LYS  23          2HZ       LYS  23  -0.550  -6.638  -4.684
  184    H    MET  24           H        MET  24   1.088  -3.759   2.753
  185    HA   MET  24           HA       MET  24   3.779  -3.521   1.680
  186   1HB   MET  24          1HB       MET  24   2.600  -4.008   4.456
  187   2HB   MET  24          2HB       MET  24   4.294  -4.330   4.146
  188   1HG   MET  24          1HG       MET  24   4.204  -1.848   3.089
  189   2HG   MET  24          2HG       MET  24   2.837  -1.688   4.174
  190   1HE   MET  24          1HE       MET  24   4.212  -1.095   7.467
  191   2HE   MET  24          2HE       MET  24   3.909   0.027   6.118
  192    H    PHE  25           H        PHE  25   4.955  -5.308   1.040
  193    HA   PHE  25           HA       PHE  25   4.077  -7.922   1.930
  194   1HB   PHE  25          1HB       PHE  25   3.993  -8.679  -0.483
  195   2HB   PHE  25          2HB       PHE  25   2.783  -7.454  -0.157
  196    HD1  PHE  25           1HD      PHE  25   6.155  -7.968  -1.608
  197    HD2  PHE  25           2HD      PHE  25   2.759  -5.435  -1.366
  198    HE1  PHE  25           1HE      PHE  25   7.060  -6.574  -3.489
  199    HE2  PHE  25           2HE      PHE  25   3.664  -4.041  -3.247
  200    HZ   PHE  25           HZ       PHE  25   5.804  -4.627  -4.286
  201    H    MET  26           H        MET  26   5.720  -9.544   1.743
  202    HA   MET  26           HA       MET  26   8.333  -8.391   1.635
  203   1HB   MET  26          1HB       MET  26   7.270 -11.217   2.178
  204   2HB   MET  26          2HB       MET  26   8.974 -10.815   2.260
  205   1HG   MET  26          1HG       MET  26   7.468  -8.864   3.805
  206   2HG   MET  26          2HG       MET  26   6.994 -10.475   4.304
  207   1HE   MET  26          1HE       MET  26   8.129 -10.714   6.687
  208   2HE   MET  26          2HE       MET  26   8.268 -12.057   5.528
  209    H    VAL  27           H        VAL  27  10.034  -8.971   0.181
  210    HA   VAL  27           HA       VAL  27   9.238  -9.418  -2.451
  211    HB   VAL  27           HB       VAL  27  11.291  -8.253  -1.595
  212   1HG1  VAL  27          1HG1      VAL  27  12.006  -9.980   0.016
  213   2HG1  VAL  27          2HG1      VAL  27  12.366 -11.082  -1.334
  214   1HG2  VAL  27          1HG2      VAL  27  12.565  -8.708  -3.542
  215   2HG2  VAL  27          2HG2      VAL  27  11.958 -10.378  -3.646
  216    H    ALA  28           H        ALA  28   9.519 -11.584   0.201
  217    HA   ALA  28           HA       ALA  28  10.564 -13.871  -0.656
  218   1HB   ALA  28          1HB       ALA  28   9.260 -14.883   0.955
  219   2HB   ALA  28          2HB       ALA  28   9.005 -13.180   1.407
  220    H    ALA  29           H        ALA  29   7.495 -12.406  -1.819
  221    HA   ALA  29           HA       ALA  29   7.683 -14.091  -4.170
  222   1HB   ALA  29          1HB       ALA  29   5.785 -14.539  -1.991
  223   2HB   ALA  29          2HB       ALA  29   4.958 -14.203  -3.531
  224    HA   PRO  30           HA       PRO  30   6.276 -10.387  -5.907
  225   1HB   PRO  30          1HB       PRO  30   5.422 -11.243  -8.357
  226   2HB   PRO  30          2HB       PRO  30   7.108 -10.957  -7.976
  227   1HG   PRO  30          1HG       PRO  30   5.683 -13.532  -8.260
  228   2HG   PRO  30          2HG       PRO  30   7.407 -13.221  -8.304
  229   1HD   PRO  30          1HD       PRO  30   5.921 -14.342  -6.122
  230   2HD   PRO  30          2HD       PRO  30   7.623 -13.923  -6.126
  231    H    HIS  31           H        HIS  31   4.183 -12.912  -5.185
  232    HA   HIS  31           HA       HIS  31   2.015 -10.982  -5.152
  233   1HB   HIS  31          1HB       HIS  31   2.149 -12.622  -7.278
  234   2HB   HIS  31          2HB       HIS  31   1.324 -13.697  -6.167
  235    HD1  HIS  31           1HD      HIS  31  -1.036 -12.831  -5.204
  236    HD2  HIS  31           2HD      HIS  31   0.577 -10.614  -8.379
  237    HE1  HIS  31           1HE      HIS  31  -2.944 -11.409  -6.125
  238    H    VAL  32           H        VAL  32   2.897 -11.186  -2.845
  239    HA   VAL  32           HA       VAL  32   1.186 -13.005  -1.449
  240    HB   VAL  32           HB       VAL  32   4.129 -13.466  -1.665
  241   1HG1  VAL  32          1HG1      VAL  32   4.304 -13.286   0.593
  242   2HG1  VAL  32          2HG1      VAL  32   2.558 -13.512   0.858
  243   1HG2  VAL  32          1HG2      VAL  32   3.203 -15.873  -1.317
  244   2HG2  VAL  32          2HG2      VAL  32   1.619 -15.133  -1.652
  245    HA   PRO  33           HA       PRO  33   1.895  -9.077   0.585
  246   1HB   PRO  33          1HB       PRO  33  -0.722  -8.531   1.151
  247   2HB   PRO  33          2HB       PRO  33   0.081  -7.971  -0.303
  248   1HG   PRO  33          1HG       PRO  33  -1.883 -10.159   0.004
  249   2HG   PRO  33          2HG       PRO  33  -1.399  -9.315  -1.453
  250   1HD   PRO  33          1HD       PRO  33  -0.579 -11.940  -0.639
  251   2HD   PRO  33          2HD       PRO  33  -0.006 -11.049  -2.035
  252    H    VAL  34           H        VAL  34   1.942  -8.419   2.772
  253    HA   VAL  34           HA       VAL  34   1.389 -10.727   4.489
  254    HB   VAL  34           HB       VAL  34   3.699  -9.942   4.385
  255   1HG1  VAL  34          1HG1      VAL  34   3.609  -7.661   3.855
  256   2HG1  VAL  34          2HG1      VAL  34   2.468  -7.301   5.172
  257   1HG2  VAL  34          1HG2      VAL  34   2.895  -9.048   7.107
  258   2HG2  VAL  34          2HG2      VAL  34   2.342 -10.661   6.597
  259    H    LYS  35           H        LYS  35   0.758  -7.245   3.946
  260    HA   LYS  35           HA       LYS  35  -1.680  -7.422   5.365
  261   1HB   LYS  35          1HB       LYS  35  -1.236  -6.029   7.250
  262   2HB   LYS  35          2HB       LYS  35  -0.078  -7.343   7.281
  263   1HG   LYS  35          1HG       LYS  35   1.718  -5.955   6.902
  264   2HG   LYS  35          2HG       LYS  35   0.842  -4.958   5.758
  265   1HD   LYS  35          1HD       LYS  35   0.643  -3.383   7.376
  266   2HD   LYS  35          2HD       LYS  35  -0.438  -4.466   8.231
  267   1HE   LYS  35          1HE       LYS  35   2.136  -5.468   8.820
  268   2HE   LYS  35          2HE       LYS  35   2.339  -3.728   8.864
  269   1HZ   LYS  35          1HZ       LYS  35  -0.043  -4.349  10.138
  270   2HZ   LYS  35          2HZ       LYS  35   1.103  -5.344  10.741
  271    H    ARG  36           H        ARG  36  -2.558  -5.012   5.594
  272    HA   ARG  36           HA       ARG  36  -1.492  -3.285   3.457
  273   1HB   ARG  36          1HB       ARG  36  -4.267  -4.525   3.461
  274   2HB   ARG  36          2HB       ARG  36  -3.825  -3.102   2.486
  275   1HG   ARG  36          1HG       ARG  36  -1.758  -4.818   1.904
  276   2HG   ARG  36          2HG       ARG  36  -3.108  -5.958   2.116
  277   1HD   ARG  36          1HD       ARG  36  -3.447  -3.451   0.458
  278   2HD   ARG  36          2HD       ARG  36  -2.706  -4.906  -0.244
  279    HE   ARG  36           HE       ARG  36  -5.515  -4.539   0.539
  280   1HH1  ARG  36          1HH1      ARG  36  -6.287  -7.735  -0.739
  281   2HH1  ARG  36          2HH1      ARG  36  -6.940  -6.230  -0.132
  282   1HH2  ARG  36          1HH2      ARG  36  -3.989  -8.033  -0.872
  283   2HH2  ARG  36          2HH2      ARG  36  -2.910  -6.753  -0.364
  284    H    GLY  37           H        GLY  37  -2.857  -1.171   3.372
  285   1HA   GLY  37          1HA       GLY  37  -4.498  -0.426   5.509
  286   2HA   GLY  37          2HA       GLY  37  -2.847  -0.042   5.951
  287    H    CYS  38           H        CYS  38  -3.737   2.243   5.896
  288    HA   CYS  38           HA       CYS  38  -3.620   3.238   3.142
  289   1HB   CYS  38          1HB       CYS  38  -5.437   4.031   5.402
  290   2HB   CYS  38          2HB       CYS  38  -5.032   5.176   4.140
  291    H    ILE  39           H        ILE  39  -2.340   5.153   2.850
  292    HA   ILE  39           HA       ILE  39  -1.078   6.255   5.229
  293    HB   ILE  39           HB       ILE  39   0.237   4.278   4.112
  294   1HG1  ILE  39          1HG1      ILE  39   1.934   6.685   4.611
  295   2HG1  ILE  39          2HG1      ILE  39   0.863   6.166   5.898
  296   1HG2  ILE  39          1HG2      ILE  39   1.809   5.001   2.399
  297   2HG2  ILE  39          2HG2      ILE  39   0.131   5.174   1.830
  298   1HD1  ILE  39          1HD1      ILE  39   3.014   5.047   6.175
  299   2HD1  ILE  39          2HD1      ILE  39   1.807   3.831   5.691
  300    H    ASP  40           H        ASP  40   0.602   8.052   4.155
  301    HA   ASP  40           HA       ASP  40  -1.181   9.646   2.379
  302   1HB   ASP  40          1HB       ASP  40   0.104  11.593   3.332
  303   2HB   ASP  40          2HB       ASP  40  -0.875  10.704   4.518
  304    HD2  ASP  40           HD       ASP  40   2.990  10.908   5.024
  305    H    VAL  41           H        VAL  41   2.274   8.830   3.106
  306    HA   VAL  41           HA       VAL  41   2.808   9.324   0.261
  307    HB   VAL  41           HB       VAL  41   4.475  10.109   2.657
  308   1HG1  VAL  41          1HG1      VAL  41   6.298  10.507   1.329
  309   2HG1  VAL  41          2HG1      VAL  41   5.606   9.119   0.456
  310   1HG2  VAL  41          1HG2      VAL  41   2.809  11.757   2.300
  311   2HG2  VAL  41          2HG2      VAL  41   4.286  12.392   1.535
  312    H    CYS  42           H        CYS  42   4.034   7.757  -0.774
  313    HA   CYS  42           HA       CYS  42   4.159   5.252   0.488
  314   1HB   CYS  42          1HB       CYS  42   4.160   6.130  -2.095
  315   2HB   CYS  42          2HB       CYS  42   5.840   5.668  -1.902
  316    HA   PRO  43           HA       PRO  43   8.043   5.914   2.416
  317   1HB   PRO  43          1HB       PRO  43   8.334   3.447   3.556
  318   2HB   PRO  43          2HB       PRO  43   7.403   4.738   4.290
  319   1HG   PRO  43          1HG       PRO  43   6.436   2.314   2.902
  320   2HG   PRO  43          2HG       PRO  43   5.566   3.375   3.992
  321   1HD   PRO  43          1HD       PRO  43   5.342   3.292   1.133
  322   2HD   PRO  43          2HD       PRO  43   4.560   4.430   2.214
  323    H    LYS  44           H        LYS  44  10.306   5.129   2.470
  324    HA   LYS  44           HA       LYS  44  11.122   4.637  -0.135
  325   1HB   LYS  44          1HB       LYS  44  12.570   5.696   1.471
  326   2HB   LYS  44          2HB       LYS  44  12.538   4.293   2.520
  327   1HG   LYS  44          1HG       LYS  44  14.374   3.531   1.427
  328   2HG   LYS  44          2HG       LYS  44  13.352   3.249   0.031
  329   1HD   LYS  44          1HD       LYS  44  15.078   4.643  -0.813
  330   2HD   LYS  44          2HD       LYS  44  13.741   5.748  -0.564
  331   1HE   LYS  44          1HE       LYS  44  15.608   5.346   1.759
  332   2HE   LYS  44          2HE       LYS  44  16.239   6.233   0.386
  333   1HZ   LYS  44          1HZ       LYS  44  15.234   7.897   1.483
  334   2HZ   LYS  44          2HZ       LYS  44  13.926   7.414   0.632
  335    H    SER  45           H        SER  45  11.643   2.797  -1.307
  336    HA   SER  45           HA       SER  45  10.665   0.352  -0.092
  337   1HB   SER  45          1HB       SER  45  10.811   1.440  -2.862
  338   2HB   SER  45          2HB       SER  45  11.137  -0.276  -2.730
  339    HG   SER  45           HG       SER  45   8.997   0.184  -1.172
  340    H    SER  46           H        SER  46  12.025  -1.405   0.300
  341    HA   SER  46           HA       SER  46  14.804  -0.972  -0.464
  342   1HB   SER  46          1HB       SER  46  15.466  -2.178   1.507
  343   2HB   SER  46          2HB       SER  46  14.240  -1.032   2.012
  344    HG   SER  46           HG       SER  46  13.590  -2.929   2.954
  345    H    LEU  47           H        LEU  47  16.029  -3.277  -0.507
  346    HA   LEU  47           HA       LEU  47  14.779  -4.726  -2.602
  347   1HB   LEU  47          1HB       LEU  47  17.268  -5.358  -1.009
  348   2HB   LEU  47          2HB       LEU  47  16.791  -6.100  -2.524
  349    HG   LEU  47           HG       LEU  47  17.082  -3.130  -2.492
  350   1HD1  LEU  47          1HD1      LEU  47  19.395  -5.057  -2.246
  351   2HD1  LEU  47          2HD1      LEU  47  19.560  -3.440  -2.972
  352   1HD2  LEU  47          1HD2      LEU  47  18.344  -4.065  -4.713
  353   2HD2  LEU  47          2HD2      LEU  47  17.142  -5.348  -4.434
  354    H    LEU  48           H        LEU  48  15.381  -5.285   0.908
  355    HA   LEU  48           HA       LEU  48  14.502  -7.919   0.974
  356   1HB   LEU  48          1HB       LEU  48  15.642  -6.264   2.724
  357   2HB   LEU  48          2HB       LEU  48  13.987  -6.110   3.280
  358    HG   LEU  48           HG       LEU  48  15.204  -7.795   4.553
  359   1HD1  LEU  48          1HD1      LEU  48  13.548  -9.785   3.444
  360   2HD1  LEU  48          2HD1      LEU  48  13.197  -8.702   4.813
  361   1HD2  LEU  48          1HD2      LEU  48  16.324  -8.489   2.074
  362   2HD2  LEU  48          2HD2      LEU  48  16.621  -9.248   3.656
  363    H    VAL  49           H        VAL  49  12.644  -4.955   1.976
  364    HA   VAL  49           HA       VAL  49  10.230  -6.410   1.138
  365    HB   VAL  49           HB       VAL  49   9.039  -5.164   2.845
  366   1HG1  VAL  49          1HG1      VAL  49  11.513  -6.560   3.922
  367   2HG1  VAL  49          2HG1      VAL  49  10.035  -6.214   4.851
  368   1HG2  VAL  49          1HG2      VAL  49   9.912  -3.149   3.362
  369   2HG2  VAL  49          2HG2      VAL  49  10.850  -4.060   4.570
  370    H    LYS  50           H        LYS  50   8.502  -5.078   0.192
  371    HA   LYS  50           HA       LYS  50   9.410  -2.479  -0.773
  372   1HB   LYS  50          1HB       LYS  50   9.296  -4.869  -2.380
  373   2HB   LYS  50          2HB       LYS  50   8.092  -3.730  -2.949
  374   1HG   LYS  50          1HG       LYS  50   9.891  -1.926  -2.939
  375   2HG   LYS  50          2HG       LYS  50  11.065  -3.164  -2.542
  376   1HD   LYS  50          1HD       LYS  50  10.927  -4.182  -4.647
  377   2HD   LYS  50          2HD       LYS  50   9.275  -3.661  -4.914
  378   1HE   LYS  50          1HE       LYS  50  11.417  -1.540  -4.721
  379   2HE   LYS  50          2HE       LYS  50  11.333  -2.495  -6.188
  380   1HZ   LYS  50          1HZ       LYS  50   8.760  -1.816  -5.662
  381   2HZ   LYS  50          2HZ       LYS  50   9.594  -0.460  -5.297
  382    H    TYR  51           H        TYR  51   7.600  -1.123  -1.550
  383    HA   TYR  51           HA       TYR  51   4.999  -2.079  -0.583
  384   1HB   TYR  51          1HB       TYR  51   6.160   0.747  -0.262
  385   2HB   TYR  51          2HB       TYR  51   4.750   0.098   0.551
  386    HD1  TYR  51           1HD      TYR  51   5.760  -2.503   1.559
  387    HD2  TYR  51           2HD      TYR  51   7.642   1.338   1.448
  388    HE1  TYR  51           1HE      TYR  51   7.209  -3.148   3.545
  389    HE2  TYR  51           2HE      TYR  51   9.085   0.680   3.435
  390    HH   TYR  51           HH       TYR  51   8.964  -0.876   5.308
  391    H    VAL  52           H        VAL  52   3.161  -1.154  -1.647
  392    HA   VAL  52           HA       VAL  52   3.838   0.435  -4.020
  393    HB   VAL  52           HB       VAL  52   2.187  -2.070  -3.791
  394   1HG1  VAL  52          1HG1      VAL  52   1.212  -1.662  -5.960
  395   2HG1  VAL  52          2HG1      VAL  52   0.827  -0.287  -4.898
  396   1HG2  VAL  52          1HG2      VAL  52   4.775  -1.677  -4.583
  397   2HG2  VAL  52          2HG2      VAL  52   3.744  -3.027  -5.114
  398    H    CYS  53           H        CYS  53   2.564   2.221  -4.320
  399    HA   CYS  53           HA       CYS  53   0.206   2.389  -2.587
  400   1HB   CYS  53          1HB       CYS  53   2.072   4.644  -3.355
  401   2HB   CYS  53          2HB       CYS  53   0.610   4.799  -2.400
  402    H    CYS  54           H        CYS  54  -1.420   4.081  -3.520
  403    HA   CYS  54           HA       CYS  54  -1.257   4.834  -6.195
  404   1HB   CYS  54          1HB       CYS  54  -3.309   3.184  -6.768
  405   2HB   CYS  54          2HB       CYS  54  -1.641   2.886  -7.215
  406    H    ASN  55           H        ASN  55  -3.324   5.929  -6.846
  407    HA   ASN  55           HA       ASN  55  -4.964   6.430  -4.487
  408   1HB   ASN  55          1HB       ASN  55  -5.363   8.715  -5.467
  409   2HB   ASN  55          2HB       ASN  55  -3.669   8.434  -5.118
  410   1HD2  ASN  55          1HD2      ASN  55  -5.719   9.679  -7.301
  411   2HD2  ASN  55          2HD2      ASN  55  -4.815   9.526  -8.770
  412    H    THR  56           H        THR  56  -6.001   4.351  -5.643
  413    HA   THR  56           HA       THR  56  -8.157   5.356  -7.331
  414    HB   THR  56           HB       THR  56  -7.781   3.445  -8.926
  415    HG1  THR  56           1HG      THR  56  -5.299   3.292  -7.366
  416   1HG2  THR  56          1HG2      THR  56  -5.741   4.272 -10.025
  417   2HG2  THR  56          2HG2      THR  56  -6.646   5.672  -9.403
  418    H    ASP  57           H        ASP  57 -10.054   4.084  -7.251
  419    HA   ASP  57           HA       ASP  57 -10.525   2.903  -4.697
  420   1HB   ASP  57          1HB       ASP  57 -12.010   3.422  -7.204
  421   2HB   ASP  57          2HB       ASP  57 -12.586   2.021  -6.276
  422    HD2  ASP  57           HD       ASP  57 -14.246   4.929  -4.945
  423    H    LYS  58           H        LYS  58  -9.930   0.937  -3.967
  424    HA   LYS  58           HA       LYS  58  -9.425  -1.212  -3.925
  425   1HB   LYS  58          1HB       LYS  58 -11.299  -1.073  -6.229
  426   2HB   LYS  58          2HB       LYS  58 -10.320  -2.521  -6.115
  427   1HG   LYS  58          1HG       LYS  58 -11.515  -3.301  -4.344
  428   2HG   LYS  58          2HG       LYS  58 -11.355  -1.786  -3.479
  429   1HD   LYS  58          1HD       LYS  58 -13.710  -2.075  -3.847
  430   2HD   LYS  58          2HD       LYS  58 -13.203  -0.840  -4.982
  431   1HE   LYS  58          1HE       LYS  58 -14.480  -2.252  -6.361
  432   2HE   LYS  58          2HE       LYS  58 -12.859  -2.846  -6.659
  433   1HZ   LYS  58          1HZ       LYS  58 -13.231  -4.566  -5.050
  434   2HZ   LYS  58          2HZ       LYS  58 -14.717  -3.992  -4.691
  435    H    CYS  59           H        CYS  59  -7.343   0.365  -4.486
  436    HA   CYS  59           HA       CYS  59  -6.113  -0.581  -6.929
  437   1HB   CYS  59          1HB       CYS  59  -4.737   1.200  -6.819
  438   2HB   CYS  59          2HB       CYS  59  -6.061   1.842  -5.867
  439    H    ASN  60           H        ASN  60  -5.638  -0.580  -3.331
  440    HA   ASN  60           HA       ASN  60  -3.465  -2.422  -3.607
  441   1HB   ASN  60          1HB       ASN  60  -3.171  -2.133  -1.228
  442   2HB   ASN  60          2HB       ASN  60  -3.633  -0.554  -1.832
  443   1HD2  ASN  60          1HD2      ASN  60  -3.918  -1.201   0.801
  444   2HD2  ASN  60          2HD2      ASN  60  -5.590  -1.315   1.238
  445   1H    HOH  61          1H        HOH  61   4.637 -10.774   1.885
  446   2H    HOH  61          2H        HOH  61   5.235 -10.923   3.267
  447   1H    HOH  62          1H        HOH  62   8.228 -16.054  -7.084
  448   2H    HOH  62          2H        HOH  62   8.126 -16.893  -5.830
  Start of MODEL    6
    1    H    LEU   1           H        LEU   1 -12.125   8.560  -1.554
    2    HA   LEU   1           HA       LEU   1 -10.331   6.627  -1.725
    3   1HB   LEU   1          1HB       LEU   1 -11.097   8.562   0.328
    4   2HB   LEU   1          2HB       LEU   1 -10.247   7.175   0.980
    5    HG   LEU   1           HG       LEU   1  -8.706   8.986   0.486
    6   1HD1  LEU   1          1HD1      LEU   1  -7.064   7.771  -0.825
    7   2HD1  LEU   1          2HD1      LEU   1  -7.928   6.660   0.264
    8   1HD2  LEU   1          1HD2      LEU   1 -10.209   9.834  -1.456
    9   2HD2  LEU   1          2HD2      LEU   1  -8.445  10.046  -1.557
   10    H    LYS   2           H        LYS   2 -11.829   4.752  -2.278
   11    HA   LYS   2           HA       LYS   2 -12.533   3.335   0.199
   12   1HB   LYS   2          1HB       LYS   2 -13.805   3.207  -2.549
   13   2HB   LYS   2          2HB       LYS   2 -14.158   2.080  -1.254
   14   1HG   LYS   2          1HG       LYS   2 -15.046   3.830   0.163
   15   2HG   LYS   2          2HG       LYS   2 -14.405   5.092  -0.870
   16   1HD   LYS   2          1HD       LYS   2 -15.925   3.905  -2.728
   17   2HD   LYS   2          2HD       LYS   2 -16.787   3.290  -1.332
   18   1HE   LYS   2          1HE       LYS   2 -17.286   5.524  -0.532
   19   2HE   LYS   2          2HE       LYS   2 -16.158   6.255  -1.656
   20   1HZ   LYS   2          1HZ       LYS   2 -17.745   6.312  -3.158
   21   2HZ   LYS   2          2HZ       LYS   2 -18.000   4.702  -3.069
   22    H    CYS   3           H        CYS   3 -10.920   1.946   0.700
   23    HA   CYS   3           HA       CYS   3  -9.913   0.312  -1.505
   24   1HB   CYS   3          1HB       CYS   3  -8.345   1.901   0.485
   25   2HB   CYS   3          2HB       CYS   3  -7.715   0.352  -0.037
   26    H    LYS   4           H        LYS   4  -8.393  -1.505  -0.112
   27    HA   LYS   4           HA       LYS   4 -10.398  -2.719   1.616
   28   1HB   LYS   4          1HB       LYS   4  -8.073  -3.738   0.006
   29   2HB   LYS   4          2HB       LYS   4  -8.681  -4.689   1.346
   30   1HG   LYS   4          1HG       LYS   4 -10.985  -4.593   0.362
   31   2HG   LYS   4          2HG       LYS   4 -10.369  -3.653  -0.982
   32   1HD   LYS   4          1HD       LYS   4  -9.420  -5.481  -2.002
   33   2HD   LYS   4          2HD       LYS   4  -8.857  -6.164  -0.490
   34   1HE   LYS   4          1HE       LYS   4 -10.953  -7.204  -0.029
   35   2HE   LYS   4          2HE       LYS   4 -11.823  -6.164  -1.138
   36   1HZ   LYS   4          1HZ       LYS   4 -10.857  -8.616  -1.702
   37   2HZ   LYS   4          2HZ       LYS   4 -11.362  -7.521  -2.803
   38    H    LYS   5           H        LYS   5  -9.874  -3.536   3.729
   39    HA   LYS   5           HA       LYS   5  -7.946  -1.846   5.051
   40   1HB   LYS   5          1HB       LYS   5 -10.114  -3.734   5.961
   41   2HB   LYS   5          2HB       LYS   5  -8.917  -3.128   7.089
   42   1HG   LYS   5          1HG       LYS   5 -10.338  -1.165   5.276
   43   2HG   LYS   5          2HG       LYS   5 -11.192  -1.797   6.670
   44   1HD   LYS   5          1HD       LYS   5  -8.407  -0.579   6.897
   45   2HD   LYS   5          2HD       LYS   5  -9.859   0.396   7.009
   46   1HE   LYS   5          1HE       LYS   5 -10.190  -0.235   9.165
   47   2HE   LYS   5          2HE       LYS   5 -10.155  -1.931   8.725
   48   1HZ   LYS   5          1HZ       LYS   5  -8.283  -1.909   9.899
   49   2HZ   LYS   5          2HZ       LYS   5  -7.584  -1.272   8.567
   50    H    LEU   6           H        LEU   6  -6.994  -3.416   7.121
   51    HA   LEU   6           HA       LEU   6  -4.744  -4.517   6.132
   52   1HB   LEU   6          1HB       LEU   6  -6.320  -4.871   8.623
   53   2HB   LEU   6          2HB       LEU   6  -5.054  -6.043   8.312
   54    HG   LEU   6           HG       LEU   6  -3.669  -3.764   7.856
   55   1HD1  LEU   6          1HD1      LEU   6  -6.001  -2.685   8.740
   56   2HD1  LEU   6          2HD1      LEU   6  -5.094  -2.829  10.265
   57   1HD2  LEU   6          1HD2      LEU   6  -2.805  -5.440   9.268
   58   2HD2  LEU   6          2HD2      LEU   6  -2.917  -3.979  10.277
   59    H    VAL   7           H        VAL   7  -7.486  -6.605   7.286
   60    HA   VAL   7           HA       VAL   7  -6.508  -8.741   5.629
   61    HB   VAL   7           HB       VAL   7  -8.905  -8.472   7.452
   62   1HG1  VAL   7          1HG1      VAL   7  -7.816 -11.131   6.619
   63   2HG1  VAL   7          2HG1      VAL   7  -9.469 -10.665   7.086
   64   1HG2  VAL   7          1HG2      VAL   7  -6.420 -10.098   7.984
   65   2HG2  VAL   7          2HG2      VAL   7  -6.498  -8.369   8.397
   66    HA   PRO   8           HA       PRO   8  -9.022  -7.678   2.254
   67   1HB   PRO   8          1HB       PRO   8  -8.563  -9.875   0.695
   68   2HB   PRO   8          2HB       PRO   8  -7.476  -8.501   0.759
   69   1HG   PRO   8          1HG       PRO   8  -7.158 -11.175   1.980
   70   2HG   PRO   8          2HG       PRO   8  -5.936  -9.957   1.669
   71   1HD   PRO   8          1HD       PRO   8  -7.130 -10.584   4.201
   72   2HD   PRO   8          2HD       PRO   8  -5.995  -9.291   3.869
   73    H    LEU   9           H        LEU   9 -10.584  -8.222   4.303
   74    HA   LEU   9           HA       LEU   9 -12.392 -10.245   3.173
   75   1HB   LEU   9          1HB       LEU   9 -11.649  -9.587   6.003
   76   2HB   LEU   9          2HB       LEU   9 -13.218 -10.278   5.642
   77    HG   LEU   9           HG       LEU   9 -10.566 -11.544   4.900
   78   1HD1  LEU   9          1HD1      LEU   9 -12.095 -13.017   6.849
   79   2HD1  LEU   9          2HD1      LEU   9 -10.423 -12.413   6.935
   80   1HD2  LEU   9          1HD2      LEU   9 -12.254 -12.252   3.362
   81   2HD2  LEU   9          2HD2      LEU   9 -11.980 -13.575   4.521
   82    H    PHE  10           H        PHE  10 -11.960  -6.997   4.599
   83    HA   PHE  10           HA       PHE  10 -14.579  -6.318   3.496
   84   1HB   PHE  10          1HB       PHE  10 -13.480  -5.311   6.176
   85   2HB   PHE  10          2HB       PHE  10 -15.121  -5.144   5.586
   86    HD1  PHE  10           1HD      PHE  10 -16.487  -7.312   5.292
   87    HD2  PHE  10           2HD      PHE  10 -12.911  -7.097   7.566
   88    HE1  PHE  10           1HE      PHE  10 -17.142  -9.402   6.518
   89    HE2  PHE  10           2HE      PHE  10 -13.565  -9.187   8.792
   90    HZ   PHE  10           HZ       PHE  10 -15.673 -10.315   8.254
   91    H    SER  11           H        SER  11 -14.843  -3.949   3.131
   92    HA   SER  11           HA       SER  11 -12.220  -2.726   2.763
   93   1HB   SER  11          1HB       SER  11 -13.440  -1.402   0.907
   94   2HB   SER  11          2HB       SER  11 -13.070  -3.084   0.583
   95    HG   SER  11           HG       SER  11 -15.379  -2.128   0.197
   96    H    LYS  12           H        LYS  12 -12.087  -0.379   3.118
   97    HA   LYS  12           HA       LYS  12 -14.407   0.820   4.400
   98   1HB   LYS  12          1HB       LYS  12 -12.044  -0.128   5.827
   99   2HB   LYS  12          2HB       LYS  12 -12.295   1.591   6.053
  100   1HG   LYS  12          1HG       LYS  12 -14.289   1.301   7.188
  101   2HG   LYS  12          2HG       LYS  12 -14.767  -0.080   6.221
  102   1HD   LYS  12          1HD       LYS  12 -13.575  -1.608   7.543
  103   2HD   LYS  12          2HD       LYS  12 -12.401  -0.414   8.060
  104   1HE   LYS  12          1HE       LYS  12 -13.640   0.167   9.886
  105   2HE   LYS  12          2HE       LYS  12 -15.111   0.308   8.944
  106   1HZ   LYS  12          1HZ       LYS  12 -13.955  -2.176  10.001
  107   2HZ   LYS  12          2HZ       LYS  12 -15.342  -1.458  10.479
  108    H    THR  13           H        THR  13 -13.575   3.250   5.060
  109    HA   THR  13           HA       THR  13 -12.281   4.227   2.601
  110    HB   THR  13           HB       THR  13 -14.481   5.318   4.414
  111    HG1  THR  13           1HG      THR  13 -14.688   3.811   2.436
  112   1HG2  THR  13          1HG2      THR  13 -12.812   6.733   2.279
  113   2HG2  THR  13          2HG2      THR  13 -14.455   7.263   2.716
  114    H    CYS  14           H        CYS  14 -10.405   5.313   2.713
  115    HA   CYS  14           HA       CYS  14  -9.058   5.386   5.180
  116   1HB   CYS  14          1HB       CYS  14  -8.260   6.925   2.715
  117   2HB   CYS  14          2HB       CYS  14  -7.232   6.306   3.992
  118    HA   PRO  15           HA       PRO  15 -10.496   9.284   6.521
  119   1HB   PRO  15          1HB       PRO  15  -8.690   9.791   8.509
  120   2HB   PRO  15          2HB       PRO  15 -10.087   8.755   8.725
  121   1HG   PRO  15          1HG       PRO  15  -7.248   7.996   8.409
  122   2HG   PRO  15          2HG       PRO  15  -8.575   7.042   9.039
  123   1HD   PRO  15          1HD       PRO  15  -7.380   6.814   6.442
  124   2HD   PRO  15          2HD       PRO  15  -8.781   5.942   7.031
  125    H    ALA  16           H        ALA  16  -9.945  11.609   6.825
  126    HA   ALA  16           HA       ALA  16  -8.730  12.565   4.583
  127   1HB   ALA  16          1HB       ALA  16  -8.663  13.967   7.275
  128   2HB   ALA  16          2HB       ALA  16  -8.816  14.693   5.657
  129    H    GLY  17           H        GLY  17  -6.642  13.676   4.245
  130   1HA   GLY  17          1HA       GLY  17  -4.410  14.029   4.662
  131   2HA   GLY  17          2HA       GLY  17  -4.495  13.018   6.091
  132    H    LYS  18           H        LYS  18  -5.627  10.634   5.077
  133    HA   LYS  18           HA       LYS  18  -3.386   9.709   3.457
  134   1HB   LYS  18          1HB       LYS  18  -5.427   7.898   4.711
  135   2HB   LYS  18          2HB       LYS  18  -3.736   7.600   4.363
  136   1HG   LYS  18          1HG       LYS  18  -4.710   9.603   6.453
  137   2HG   LYS  18          2HG       LYS  18  -4.253   7.953   6.825
  138   1HD   LYS  18          1HD       LYS  18  -2.081   8.903   5.314
  139   2HD   LYS  18          2HD       LYS  18  -2.539  10.292   6.280
  140   1HE   LYS  18          1HE       LYS  18  -2.578   7.841   7.894
  141   2HE   LYS  18          2HE       LYS  18  -1.016   8.058   7.130
  142   1HZ   LYS  18          1HZ       LYS  18  -0.592   9.783   8.425
  143   2HZ   LYS  18          2HZ       LYS  18  -2.055  10.474   8.202
  144    H    ASN  19           H        ASN  19  -3.943  10.447   1.378
  145    HA   ASN  19           HA       ASN  19  -6.496   9.452   0.403
  146   1HB   ASN  19          1HB       ASN  19  -4.710  11.774  -0.306
  147   2HB   ASN  19          2HB       ASN  19  -5.590  11.038  -1.631
  148   1HD2  ASN  19          1HD2      ASN  19  -6.616  13.139  -1.734
  149   2HD2  ASN  19          2HD2      ASN  19  -7.992  13.488  -0.743
  150    H    LEU  20           H        LEU  20  -3.812   7.977   0.830
  151    HA   LEU  20           HA       LEU  20  -3.608   6.955  -1.900
  152   1HB   LEU  20          1HB       LEU  20  -1.345   7.905  -0.159
  153   2HB   LEU  20          2HB       LEU  20  -1.102   6.716  -1.423
  154    HG   LEU  20           HG       LEU  20  -2.071   9.565  -1.768
  155   1HD1  LEU  20          1HD1      LEU  20   0.506   8.566  -1.528
  156   2HD1  LEU  20          2HD1      LEU  20   0.270   8.724  -3.285
  157   1HD2  LEU  20          1HD2      LEU  20  -1.803   8.945  -4.266
  158   2HD2  LEU  20          2HD2      LEU  20  -1.992   7.265  -3.707
  159    H    CYS  21           H        CYS  21  -3.662   4.749  -1.998
  160    HA   CYS  21           HA       CYS  21  -3.813   3.405   0.576
  161   1HB   CYS  21          1HB       CYS  21  -4.572   2.405  -2.176
  162   2HB   CYS  21          2HB       CYS  21  -4.829   1.559  -0.664
  163    H    TYR  22           H        TYR  22  -2.215   1.962   1.229
  164    HA   TYR  22           HA       TYR  22  -0.169   1.301  -0.781
  165   1HB   TYR  22          1HB       TYR  22   1.461   1.789   0.927
  166   2HB   TYR  22          2HB       TYR  22   0.264   3.042   1.183
  167    HD1  TYR  22           1HD      TYR  22  -1.156   3.045   3.160
  168    HD2  TYR  22           2HD      TYR  22   1.655  -0.110   2.491
  169    HE1  TYR  22           1HE      TYR  22  -1.427   2.283   5.570
  170    HE2  TYR  22           2HE      TYR  22   1.374  -0.862   4.903
  171    HH   TYR  22           HH       TYR  22  -0.418  -0.694   6.642
  172    H    LYS  23           H        LYS  23   1.006  -0.739  -0.370
  173    HA   LYS  23           HA       LYS  23  -0.311  -2.543   1.488
  174   1HB   LYS  23          1HB       LYS  23  -0.683  -4.251  -0.216
  175   2HB   LYS  23          2HB       LYS  23  -1.614  -2.806  -0.556
  176   1HG   LYS  23          1HG       LYS  23   0.077  -2.067  -2.213
  177   2HG   LYS  23          2HG       LYS  23   1.089  -3.445  -1.830
  178   1HD   LYS  23          1HD       LYS  23  -0.384  -4.990  -2.848
  179   2HD   LYS  23          2HD       LYS  23  -1.771  -3.930  -2.693
  180   1HE   LYS  23          1HE       LYS  23  -1.329  -2.854  -4.668
  181   2HE   LYS  23          2HE       LYS  23   0.391  -2.756  -4.344
  182   1HZ   LYS  23          1HZ       LYS  23   0.717  -4.875  -5.168
  183   2HZ   LYS  23          2HZ       LYS  23  -0.855  -5.304  -5.055
  184    H    MET  24           H        MET  24   1.219  -3.629   2.604
  185    HA   MET  24           HA       MET  24   3.893  -3.567   1.482
  186   1HB   MET  24          1HB       MET  24   2.804  -4.162   4.289
  187   2HB   MET  24          2HB       MET  24   4.508  -4.241   3.887
  188   1HG   MET  24          1HG       MET  24   4.364  -1.812   3.113
  189   2HG   MET  24          2HG       MET  24   2.720  -1.768   3.720
  190   1HE   MET  24          1HE       MET  24   6.201  -0.491   5.308
  191   2HE   MET  24          2HE       MET  24   4.880   0.007   4.224
  192    H    PHE  25           H        PHE  25   4.985  -5.410   0.849
  193    HA   PHE  25           HA       PHE  25   3.914  -7.976   1.708
  194   1HB   PHE  25          1HB       PHE  25   3.814  -8.728  -0.648
  195   2HB   PHE  25          2HB       PHE  25   2.866  -7.260  -0.513
  196    HD1  PHE  25           1HD      PHE  25   3.413  -5.342  -1.776
  197    HD2  PHE  25           2HD      PHE  25   6.151  -8.579  -1.594
  198    HE1  PHE  25           1HE      PHE  25   4.772  -4.296  -3.609
  199    HE2  PHE  25           2HE      PHE  25   7.510  -7.534  -3.427
  200    HZ   PHE  25           HZ       PHE  25   6.804  -5.405  -4.413
  201    H    MET  26           H        MET  26   5.440  -9.792   1.245
  202    HA   MET  26           HA       MET  26   8.133  -8.793   1.512
  203   1HB   MET  26          1HB       MET  26   6.806 -11.531   1.873
  204   2HB   MET  26          2HB       MET  26   8.540 -11.319   2.011
  205   1HG   MET  26          1HG       MET  26   7.908  -9.394   3.724
  206   2HG   MET  26          2HG       MET  26   6.355 -10.203   3.795
  207   1HE   MET  26          1HE       MET  26   7.788 -11.614   7.045
  208   2HE   MET  26          2HE       MET  26   7.549  -9.984   6.371
  209    H    VAL  27           H        VAL  27   9.922  -9.571   0.207
  210    HA   VAL  27           HA       VAL  27   9.355  -9.711  -2.509
  211    HB   VAL  27           HB       VAL  27  11.458  -8.949  -1.426
  212   1HG1  VAL  27          1HG1      VAL  27  11.430 -11.276  -0.043
  213   2HG1  VAL  27          2HG1      VAL  27  12.560 -11.705  -1.350
  214   1HG2  VAL  27          1HG2      VAL  27  12.748 -10.768  -3.184
  215   2HG2  VAL  27          2HG2      VAL  27  11.128 -10.454  -3.851
  216    H    ALA  28           H        ALA  28   9.047 -12.089  -0.033
  217    HA   ALA  28           HA       ALA  28   9.786 -14.445  -1.007
  218   1HB   ALA  28          1HB       ALA  28   8.373 -13.887   1.050
  219   2HB   ALA  28          2HB       ALA  28   6.955 -13.955  -0.023
  220    H    ALA  29           H        ALA  29   6.964 -12.515  -2.179
  221    HA   ALA  29           HA       ALA  29   7.162 -13.947  -4.700
  222   1HB   ALA  29          1HB       ALA  29   5.185 -14.554  -2.720
  223   2HB   ALA  29          2HB       ALA  29   4.374 -13.705  -4.057
  224    HA   PRO  30           HA       PRO  30   6.284  -9.963  -6.135
  225   1HB   PRO  30          1HB       PRO  30   5.417 -10.473  -8.676
  226   2HB   PRO  30          2HB       PRO  30   7.111 -10.451  -8.228
  227   1HG   PRO  30          1HG       PRO  30   5.372 -12.775  -8.788
  228   2HG   PRO  30          2HG       PRO  30   7.123 -12.695  -8.759
  229   1HD   PRO  30          1HD       PRO  30   5.422 -13.799  -6.730
  230   2HD   PRO  30          2HD       PRO  30   7.162 -13.613  -6.652
  231    H    HIS  31           H        HIS  31   3.801 -12.304  -5.991
  232    HA   HIS  31           HA       HIS  31   1.919 -10.091  -5.726
  233   1HB   HIS  31          1HB       HIS  31   1.889 -11.315  -8.026
  234   2HB   HIS  31          2HB       HIS  31   1.123 -12.623  -7.147
  235    HD1  HIS  31           1HD      HIS  31   0.357  -9.536  -8.905
  236    HD2  HIS  31           2HD      HIS  31  -1.364 -11.698  -5.749
  237    HE1  HIS  31           1HE      HIS  31  -2.045  -8.701  -8.692
  238    H    VAL  32           H        VAL  32   2.860 -10.818  -3.450
  239    HA   VAL  32           HA       VAL  32   0.780 -12.449  -2.297
  240    HB   VAL  32           HB       VAL  32   3.695 -13.233  -2.241
  241   1HG1  VAL  32          1HG1      VAL  32   1.549 -14.585  -0.603
  242   2HG1  VAL  32          2HG1      VAL  32   3.319 -14.709  -0.459
  243   1HG2  VAL  32          1HG2      VAL  32   1.181 -14.743  -3.035
  244   2HG2  VAL  32          2HG2      VAL  32   2.430 -14.111  -4.136
  245    HA   PRO  33           HA       PRO  33   1.959  -8.925   0.200
  246   1HB   PRO  33          1HB       PRO  33  -0.575  -8.091   0.793
  247   2HB   PRO  33          2HB       PRO  33   0.338  -7.484  -0.574
  248   1HG   PRO  33          1HG       PRO  33  -1.913  -9.401  -0.552
  249   2HG   PRO  33          2HG       PRO  33  -1.277  -8.470  -1.893
  250   1HD   PRO  33          1HD       PRO  33  -0.845 -11.259  -1.383
  251   2HD   PRO  33          2HD       PRO  33  -0.117 -10.302  -2.658
  252    H    VAL  34           H        VAL  34   1.606  -8.325   2.504
  253    HA   VAL  34           HA       VAL  34   0.843 -10.789   3.916
  254    HB   VAL  34           HB       VAL  34   3.283 -10.127   3.885
  255   1HG1  VAL  34          1HG1      VAL  34   4.069  -8.278   5.118
  256   2HG1  VAL  34          2HG1      VAL  34   2.715  -7.637   4.156
  257   1HG2  VAL  34          1HG2      VAL  34   3.428 -11.356   5.744
  258   2HG2  VAL  34          2HG2      VAL  34   2.754 -10.040   6.735
  259    H    LYS  35           H        LYS  35   0.794  -7.196   3.823
  260    HA   LYS  35           HA       LYS  35  -1.714  -7.240   5.220
  261   1HB   LYS  35          1HB       LYS  35   0.797  -6.561   6.615
  262   2HB   LYS  35          2HB       LYS  35  -0.466  -5.357   6.774
  263   1HG   LYS  35          1HG       LYS  35  -1.724  -6.696   8.124
  264   2HG   LYS  35          2HG       LYS  35  -1.540  -8.080   7.065
  265   1HD   LYS  35          1HD       LYS  35  -0.218  -8.963   8.695
  266   2HD   LYS  35          2HD       LYS  35   1.015  -7.849   8.138
  267   1HE   LYS  35          1HE       LYS  35  -1.064  -6.991  10.189
  268   2HE   LYS  35          2HE       LYS  35   0.396  -7.828  10.678
  269   1HZ   LYS  35          1HZ       LYS  35   0.639  -5.527   8.920
  270   2HZ   LYS  35          2HZ       LYS  35   0.350  -5.272  10.507
  271    H    ARG  36           H        ARG  36  -2.522  -4.878   5.410
  272    HA   ARG  36           HA       ARG  36  -1.313  -3.050   3.459
  273   1HB   ARG  36          1HB       ARG  36  -4.115  -4.183   3.092
  274   2HB   ARG  36          2HB       ARG  36  -3.379  -2.882   2.126
  275   1HG   ARG  36          1HG       ARG  36  -1.463  -4.589   1.682
  276   2HG   ARG  36          2HG       ARG  36  -2.624  -5.814   2.249
  277   1HD   ARG  36          1HD       ARG  36  -3.271  -3.789   0.076
  278   2HD   ARG  36          2HD       ARG  36  -2.598  -5.396  -0.269
  279    HE   ARG  36           HE       ARG  36  -5.023  -5.352   1.393
  280   1HH1  ARG  36          1HH1      ARG  36  -6.829  -6.912  -1.204
  281   2HH1  ARG  36          2HH1      ARG  36  -6.849  -6.432   0.478
  282   1HH2  ARG  36          1HH2      ARG  36  -4.968  -6.465  -2.516
  283   2HH2  ARG  36          2HH2      ARG  36  -3.585  -5.647  -1.823
  284    H    GLY  37           H        GLY  37  -2.545  -0.923   3.402
  285   1HA   GLY  37          1HA       GLY  37  -4.484  -0.360   5.390
  286   2HA   GLY  37          2HA       GLY  37  -2.887   0.066   5.974
  287    H    CYS  38           H        CYS  38  -4.313   2.236   5.839
  288    HA   CYS  38           HA       CYS  38  -3.965   3.365   3.166
  289   1HB   CYS  38          1HB       CYS  38  -5.708   4.206   5.486
  290   2HB   CYS  38          2HB       CYS  38  -5.452   5.199   4.065
  291    H    ILE  39           H        ILE  39  -2.675   5.259   2.910
  292    HA   ILE  39           HA       ILE  39  -1.511   6.432   5.288
  293    HB   ILE  39           HB       ILE  39  -0.162   4.366   4.307
  294   1HG1  ILE  39          1HG1      ILE  39   1.939   5.988   4.964
  295   2HG1  ILE  39          2HG1      ILE  39   0.604   6.869   5.681
  296   1HG2  ILE  39          1HG2      ILE  39   1.652   5.177   2.818
  297   2HG2  ILE  39          2HG2      ILE  39   0.048   5.167   2.046
  298   1HD1  ILE  39          1HD1      ILE  39   0.843   3.871   6.087
  299   2HD1  ILE  39          2HD1      ILE  39   1.772   5.005   7.097
  300    H    ASP  40           H        ASP  40   0.177   8.211   4.335
  301    HA   ASP  40           HA       ASP  40  -1.378   9.640   2.233
  302   1HB   ASP  40          1HB       ASP  40  -0.336  11.690   3.258
  303   2HB   ASP  40          2HB       ASP  40  -1.444  10.814   4.336
  304    HD2  ASP  40           HD       ASP  40   1.502   9.478   6.006
  305    H    VAL  41           H        VAL  41   1.908   8.808   3.462
  306    HA   VAL  41           HA       VAL  41   2.908   9.505   0.787
  307    HB   VAL  41           HB       VAL  41   5.063   9.969   1.896
  308   1HG1  VAL  41          1HG1      VAL  41   4.539  12.159   2.354
  309   2HG1  VAL  41          2HG1      VAL  41   3.054  11.658   1.511
  310   1HG2  VAL  41          1HG2      VAL  41   3.623  10.004   4.547
  311   2HG2  VAL  41          2HG2      VAL  41   4.413   8.524   3.951
  312    H    CYS  42           H        CYS  42   4.617   8.106  -0.056
  313    HA   CYS  42           HA       CYS  42   4.186   5.389   0.837
  314   1HB   CYS  42          1HB       CYS  42   4.332   6.457  -1.643
  315   2HB   CYS  42          2HB       CYS  42   5.999   5.957  -1.438
  316    HA   PRO  43           HA       PRO  43   8.002   5.558   2.985
  317   1HB   PRO  43          1HB       PRO  43   8.097   2.961   3.830
  318   2HB   PRO  43          2HB       PRO  43   7.202   4.211   4.672
  319   1HG   PRO  43          1HG       PRO  43   6.176   2.031   2.958
  320   2HG   PRO  43          2HG       PRO  43   5.311   3.008   4.128
  321   1HD   PRO  43          1HD       PRO  43   5.231   3.277   1.273
  322   2HD   PRO  43          2HD       PRO  43   4.459   4.325   2.447
  323    H    LYS  44           H        LYS  44  10.218   4.689   3.022
  324    HA   LYS  44           HA       LYS  44  11.087   4.381   0.389
  325   1HB   LYS  44          1HB       LYS  44  12.508   5.331   2.088
  326   2HB   LYS  44          2HB       LYS  44  12.445   3.866   3.047
  327   1HG   LYS  44          1HG       LYS  44  13.885   2.697   1.630
  328   2HG   LYS  44          2HG       LYS  44  13.385   3.586   0.204
  329   1HD   LYS  44          1HD       LYS  44  14.534   5.653   1.350
  330   2HD   LYS  44          2HD       LYS  44  15.304   4.470   2.388
  331   1HE   LYS  44          1HE       LYS  44  16.843   4.783   0.589
  332   2HE   LYS  44          2HE       LYS  44  16.057   3.257   0.235
  333   1HZ   LYS  44          1HZ       LYS  44  15.173   4.111  -1.585
  334   2HZ   LYS  44          2HZ       LYS  44  14.643   5.465  -0.840
  335    H    SER  45           H        SER  45  11.717   2.589  -0.840
  336    HA   SER  45           HA       SER  45  10.627   0.101   0.182
  337   1HB   SER  45          1HB       SER  45  10.994   1.305  -2.534
  338   2HB   SER  45          2HB       SER  45  11.192  -0.434  -2.434
  339    HG   SER  45           HG       SER  45   8.985   0.218  -0.994
  340    H    SER  46           H        SER  46  11.925  -1.738   0.467
  341    HA   SER  46           HA       SER  46  14.752  -1.299  -0.102
  342   1HB   SER  46          1HB       SER  46  15.325  -2.460   1.870
  343   2HB   SER  46          2HB       SER  46  13.936  -1.507   2.354
  344    HG   SER  46           HG       SER  46  14.234  -4.263   2.255
  345    H    LEU  47           H        LEU  47  15.851  -3.765   0.021
  346    HA   LEU  47           HA       LEU  47  14.714  -5.055  -2.270
  347   1HB   LEU  47          1HB       LEU  47  17.074  -5.890  -0.584
  348   2HB   LEU  47          2HB       LEU  47  16.683  -6.433  -2.204
  349    HG   LEU  47           HG       LEU  47  17.112  -3.504  -1.767
  350   1HD1  LEU  47          1HD1      LEU  47  19.107  -5.551  -1.178
  351   2HD1  LEU  47          2HD1      LEU  47  19.633  -4.422  -2.450
  352   1HD2  LEU  47          1HD2      LEU  47  17.986  -5.295  -4.042
  353   2HD2  LEU  47          2HD2      LEU  47  16.387  -4.519  -3.956
  354    H    LEU  48           H        LEU  48  15.244  -5.850   1.221
  355    HA   LEU  48           HA       LEU  48  14.258  -8.418   1.159
  356   1HB   LEU  48          1HB       LEU  48  15.448  -7.320   3.025
  357   2HB   LEU  48          2HB       LEU  48  14.012  -6.376   3.372
  358    HG   LEU  48           HG       LEU  48  13.081  -9.002   3.386
  359   1HD1  LEU  48          1HD1      LEU  48  15.308  -9.263   5.273
  360   2HD1  LEU  48          2HD1      LEU  48  14.607 -10.447   4.143
  361   1HD2  LEU  48          1HD2      LEU  48  12.936  -6.815   4.984
  362   2HD2  LEU  48          2HD2      LEU  48  12.321  -8.427   5.424
  363    H    VAL  49           H        VAL  49  12.430  -5.387   2.002
  364    HA   VAL  49           HA       VAL  49  10.040  -6.762   0.987
  365    HB   VAL  49           HB       VAL  49   8.758  -5.589   2.715
  366   1HG1  VAL  49          1HG1      VAL  49   8.981  -7.442   3.934
  367   2HG1  VAL  49          2HG1      VAL  49  10.489  -7.809   3.062
  368   1HG2  VAL  49          1HG2      VAL  49  11.362  -4.305   3.213
  369   2HG2  VAL  49          2HG2      VAL  49   9.713  -3.736   3.565
  370    H    LYS  50           H        LYS  50   8.487  -5.404  -0.095
  371    HA   LYS  50           HA       LYS  50   9.506  -2.732  -0.735
  372   1HB   LYS  50          1HB       LYS  50   9.694  -4.843  -2.486
  373   2HB   LYS  50          2HB       LYS  50   8.159  -4.137  -2.949
  374   1HG   LYS  50          1HG       LYS  50   9.578  -1.844  -2.728
  375   2HG   LYS  50          2HG       LYS  50  10.916  -2.929  -3.049
  376   1HD   LYS  50          1HD       LYS  50  10.144  -3.483  -5.198
  377   2HD   LYS  50          2HD       LYS  50   8.470  -3.149  -4.802
  378   1HE   LYS  50          1HE       LYS  50   8.720  -0.819  -5.072
  379   2HE   LYS  50          2HE       LYS  50  10.441  -0.857  -4.747
  380   1HZ   LYS  50          1HZ       LYS  50   9.701  -2.379  -7.036
  381   2HZ   LYS  50          2HZ       LYS  50   9.330  -0.795  -7.182
  382    H    TYR  51           H        TYR  51   7.767  -1.267  -1.575
  383    HA   TYR  51           HA       TYR  51   5.111  -2.126  -0.667
  384   1HB   TYR  51          1HB       TYR  51   6.365   0.654  -0.305
  385   2HB   TYR  51          2HB       TYR  51   4.935   0.035   0.498
  386    HD1  TYR  51           1HD      TYR  51   7.863   1.182   1.410
  387    HD2  TYR  51           2HD      TYR  51   5.866  -2.601   1.483
  388    HE1  TYR  51           1HE      TYR  51   9.282   0.463   3.393
  389    HE2  TYR  51           2HE      TYR  51   7.292  -3.307   3.466
  390    HH   TYR  51           HH       TYR  51  10.024  -1.460   4.469
  391    H    VAL  52           H        VAL  52   3.348  -1.242  -1.821
  392    HA   VAL  52           HA       VAL  52   4.115   0.395  -4.135
  393    HB   VAL  52           HB       VAL  52   2.359  -2.049  -3.984
  394   1HG1  VAL  52          1HG1      VAL  52   2.263  -1.158  -6.620
  395   2HG1  VAL  52          2HG1      VAL  52   0.944  -1.083  -5.427
  396   1HG2  VAL  52          1HG2      VAL  52   3.815  -3.008  -5.540
  397   2HG2  VAL  52          2HG2      VAL  52   4.470  -1.433  -6.049
  398    H    CYS  53           H        CYS  53   2.836   2.177  -4.518
  399    HA   CYS  53           HA       CYS  53   0.491   2.416  -2.775
  400   1HB   CYS  53          1HB       CYS  53   2.455   4.567  -3.590
  401   2HB   CYS  53          2HB       CYS  53   0.932   4.871  -2.777
  402    H    CYS  54           H        CYS  54  -1.222   3.904  -3.735
  403    HA   CYS  54           HA       CYS  54  -1.059   4.639  -6.442
  404   1HB   CYS  54          1HB       CYS  54  -3.108   2.960  -6.932
  405   2HB   CYS  54          2HB       CYS  54  -1.444   2.655  -7.387
  406    H    ASN  55           H        ASN  55  -3.237   5.576  -7.141
  407    HA   ASN  55           HA       ASN  55  -4.792   6.228  -4.761
  408   1HB   ASN  55          1HB       ASN  55  -5.277   8.430  -5.878
  409   2HB   ASN  55          2HB       ASN  55  -3.565   8.211  -5.576
  410   1HD2  ASN  55          1HD2      ASN  55  -2.174   7.605  -7.284
  411   2HD2  ASN  55          2HD2      ASN  55  -2.557   7.945  -8.938
  412    H    THR  56           H        THR  56  -5.808   4.047  -5.741
  413    HA   THR  56           HA       THR  56  -8.042   4.884  -7.421
  414    HB   THR  56           HB       THR  56  -7.651   2.757  -8.806
  415    HG1  THR  56           1HG      THR  56  -5.058   3.110  -7.476
  416   1HG2  THR  56          1HG2      THR  56  -6.915   4.894  -9.803
  417   2HG2  THR  56          2HG2      THR  56  -5.443   4.881  -8.802
  418    H    ASP  57           H        ASP  57  -9.890   3.516  -7.237
  419    HA   ASP  57           HA       ASP  57 -10.291   2.564  -4.575
  420   1HB   ASP  57          1HB       ASP  57 -11.819   2.782  -7.103
  421   2HB   ASP  57          2HB       ASP  57 -12.329   1.458  -6.033
  422    HD2  ASP  57           HD       ASP  57 -14.048   4.487  -5.016
  423    H    LYS  58           H        LYS  58  -9.644   0.688  -3.669
  424    HA   LYS  58           HA       LYS  58  -9.032  -1.419  -3.440
  425   1HB   LYS  58          1HB       LYS  58 -11.073  -1.513  -5.526
  426   2HB   LYS  58          2HB       LYS  58  -9.930  -2.832  -5.672
  427   1HG   LYS  58          1HG       LYS  58 -11.279  -3.825  -4.098
  428   2HG   LYS  58          2HG       LYS  58 -10.308  -2.895  -2.973
  429   1HD   LYS  58          1HD       LYS  58 -11.974  -1.091  -2.931
  430   2HD   LYS  58          2HD       LYS  58 -12.900  -1.855  -4.207
  431   1HE   LYS  58          1HE       LYS  58 -12.361  -3.187  -1.513
  432   2HE   LYS  58          2HE       LYS  58 -13.792  -2.229  -1.838
  433   1HZ   LYS  58          1HZ       LYS  58 -13.163  -4.862  -2.702
  434   2HZ   LYS  58          2HZ       LYS  58 -14.616  -4.125  -2.588
  435    H    CYS  59           H        CYS  59  -7.012   0.151  -4.159
  436    HA   CYS  59           HA       CYS  59  -5.768  -1.063  -6.494
  437   1HB   CYS  59          1HB       CYS  59  -4.587   0.825  -6.773
  438   2HB   CYS  59          2HB       CYS  59  -5.906   1.520  -5.853
  439    H    ASN  60           H        ASN  60  -5.305  -0.397  -2.962
  440    HA   ASN  60           HA       ASN  60  -2.934  -1.976  -2.920
  441   1HB   ASN  60          1HB       ASN  60  -2.796  -1.348  -0.590
  442   2HB   ASN  60          2HB       ASN  60  -3.424   0.062  -1.419
  443   1HD2  ASN  60          1HD2      ASN  60  -3.682  -0.725   1.357
  444   2HD2  ASN  60          2HD2      ASN  60  -5.372  -0.841   1.720
  445   1H    HOH  61          1H        HOH  61   5.379 -11.384   2.229
  446   2H    HOH  61          2H        HOH  61   5.596 -11.489   0.735
  447   1H    HOH  62          1H        HOH  62   7.527 -15.471  -7.456
  448   2H    HOH  62          2H        HOH  62   6.664 -16.276  -6.509
  Start of MODEL    7
    1    H    LEU   1           H        LEU   1 -12.272   6.858  -2.884
    2    HA   LEU   1           HA       LEU   1 -10.471   6.851  -1.510
    3   1HB   LEU   1          1HB       LEU   1 -12.012   8.983  -0.278
    4   2HB   LEU   1          2HB       LEU   1 -11.222   7.982   0.924
    5    HG   LEU   1           HG       LEU   1  -9.148   8.353  -0.774
    6   1HD1  LEU   1          1HD1      LEU   1  -9.578   9.906  -2.306
    7   2HD1  LEU   1          2HD1      LEU   1 -11.129  10.331  -1.543
    8   1HD2  LEU   1          1HD2      LEU   1  -8.849   8.728   1.515
    9   2HD2  LEU   1          2HD2      LEU   1  -8.533  10.311   0.765
   10    H    LYS   2           H        LYS   2 -11.427   4.606  -1.833
   11    HA   LYS   2           HA       LYS   2 -12.041   3.550   0.817
   12   1HB   LYS   2          1HB       LYS   2 -13.800   3.439  -1.579
   13   2HB   LYS   2          2HB       LYS   2 -13.627   1.951  -0.672
   14   1HG   LYS   2          1HG       LYS   2 -14.000   3.619   1.421
   15   2HG   LYS   2          2HG       LYS   2 -14.807   4.581   0.198
   16   1HD   LYS   2          1HD       LYS   2 -15.439   1.624   0.530
   17   2HD   LYS   2          2HD       LYS   2 -16.222   2.830   1.531
   18   1HE   LYS   2          1HE       LYS   2 -16.396   3.827  -1.134
   19   2HE   LYS   2          2HE       LYS   2 -16.768   2.119  -1.248
   20   1HZ   LYS   2          1HZ       LYS   2 -18.562   3.874  -0.595
   21   2HZ   LYS   2          2HZ       LYS   2 -18.596   2.364   0.026
   22    H    CYS   3           H        CYS   3 -10.517   2.074   1.304
   23    HA   CYS   3           HA       CYS   3  -9.419   0.552  -0.947
   24   1HB   CYS   3          1HB       CYS   3  -7.815   1.245   1.503
   25   2HB   CYS   3          2HB       CYS   3  -7.253   0.628  -0.038
   26    H    LYS   4           H        LYS   4  -8.302  -1.562   0.021
   27    HA   LYS   4           HA       LYS   4 -10.311  -2.765   1.734
   28   1HB   LYS   4          1HB       LYS   4  -8.284  -3.737  -0.226
   29   2HB   LYS   4          2HB       LYS   4  -8.700  -4.813   1.092
   30   1HG   LYS   4          1HG       LYS   4 -11.204  -4.154   0.450
   31   2HG   LYS   4          2HG       LYS   4 -10.486  -3.706  -1.085
   32   1HD   LYS   4          1HD       LYS   4  -9.435  -6.290  -0.263
   33   2HD   LYS   4          2HD       LYS   4 -11.185  -6.330  -0.174
   34   1HE   LYS   4          1HE       LYS   4 -10.978  -6.840  -2.418
   35   2HE   LYS   4          2HE       LYS   4 -10.957  -5.095  -2.572
   36   1HZ   LYS   4          1HZ       LYS   4  -8.879  -6.940  -3.057
   37   2HZ   LYS   4          2HZ       LYS   4  -8.992  -5.373  -3.502
   38    H    LYS   5           H        LYS   5  -9.871  -3.742   3.748
   39    HA   LYS   5           HA       LYS   5  -7.716  -2.501   5.157
   40   1HB   LYS   5          1HB       LYS   5  -9.905  -4.433   5.952
   41   2HB   LYS   5          2HB       LYS   5  -8.676  -3.879   7.072
   42   1HG   LYS   5          1HG       LYS   5  -9.818  -1.621   5.592
   43   2HG   LYS   5          2HG       LYS   5 -11.082  -2.545   6.379
   44   1HD   LYS   5          1HD       LYS   5  -8.822  -2.243   8.195
   45   2HD   LYS   5          2HD       LYS   5  -9.292  -0.671   7.579
   46   1HE   LYS   5          1HE       LYS   5 -11.736  -1.355   8.154
   47   2HE   LYS   5          2HE       LYS   5 -11.037  -2.684   9.057
   48   1HZ   LYS   5          1HZ       LYS   5 -10.733   0.178   9.543
   49   2HZ   LYS   5          2HZ       LYS   5 -11.219  -0.987  10.578
   50    H    LEU   6           H        LEU   6  -6.785  -4.404   6.926
   51    HA   LEU   6           HA       LEU   6  -4.669  -5.499   5.682
   52   1HB   LEU   6          1HB       LEU   6  -6.178  -6.133   8.163
   53   2HB   LEU   6          2HB       LEU   6  -4.998  -7.310   7.622
   54    HG   LEU   6           HG       LEU   6  -4.109  -4.466   7.754
   55   1HD1  LEU   6          1HD1      LEU   6  -3.701  -5.694  10.329
   56   2HD1  LEU   6          2HD1      LEU   6  -4.445  -4.129   9.920
   57   1HD2  LEU   6          1HD2      LEU   6  -2.187  -5.503   7.359
   58   2HD2  LEU   6          2HD2      LEU   6  -2.285  -6.202   8.993
   59    H    VAL   7           H        VAL   7  -7.546  -7.519   6.615
   60    HA   VAL   7           HA       VAL   7  -6.775  -9.459   4.634
   61    HB   VAL   7           HB       VAL   7  -9.172  -9.327   6.474
   62   1HG1  VAL   7          1HG1      VAL   7  -9.234 -11.794   6.123
   63   2HG1  VAL   7          2HG1      VAL   7  -9.561 -10.861   4.643
   64   1HG2  VAL   7          1HG2      VAL   7  -7.455  -9.413   8.002
   65   2HG2  VAL   7          2HG2      VAL   7  -7.667 -11.149   7.669
   66    HA   PRO   8           HA       PRO   8  -9.283  -7.727   1.544
   67   1HB   PRO   8          1HB       PRO   8  -9.050  -9.704  -0.329
   68   2HB   PRO   8          2HB       PRO   8  -7.852  -8.444  -0.111
   69   1HG   PRO   8          1HG       PRO   8  -7.726 -11.283   0.703
   70   2HG   PRO   8          2HG       PRO   8  -6.415 -10.134   0.523
   71   1HD   PRO   8          1HD       PRO   8  -7.590 -11.025   2.983
   72   2HD   PRO   8          2HD       PRO   8  -6.360  -9.791   2.796
   73    H    LEU   9           H        LEU   9 -10.836  -8.425   3.546
   74    HA   LEU   9           HA       LEU   9 -12.828 -10.132   2.220
   75   1HB   LEU   9          1HB       LEU   9 -11.914  -9.946   5.059
   76   2HB   LEU   9          2HB       LEU   9 -13.586 -10.358   4.734
   77    HG   LEU   9           HG       LEU   9 -11.248 -11.870   3.547
   78   1HD1  LEU   9          1HD1      LEU   9 -12.178 -11.859   6.266
   79   2HD1  LEU   9          2HD1      LEU   9 -12.516 -13.440   5.521
   80   1HD2  LEU   9          1HD2      LEU   9 -12.734 -13.327   2.648
   81   2HD2  LEU   9          2HD2      LEU   9 -13.926 -13.098   3.950
   82    H    PHE  10           H        PHE  10 -12.110  -7.142   4.043
   83    HA   PHE  10           HA       PHE  10 -14.667  -6.110   3.090
   84   1HB   PHE  10          1HB       PHE  10 -13.515  -5.582   5.881
   85   2HB   PHE  10          2HB       PHE  10 -15.142  -5.233   5.330
   86    HD1  PHE  10           1HD      PHE  10 -12.905  -7.787   6.635
   87    HD2  PHE  10           2HD      PHE  10 -16.792  -7.042   5.105
   88    HE1  PHE  10           1HE      PHE  10 -13.689  -9.987   7.555
   89    HE2  PHE  10           2HE      PHE  10 -17.576  -9.242   6.025
   90    HZ   PHE  10           HZ       PHE  10 -16.015 -10.688   7.239
   91    H    SER  11           H        SER  11 -14.738  -3.707   3.058
   92    HA   SER  11           HA       SER  11 -12.037  -2.606   3.022
   93   1HB   SER  11          1HB       SER  11 -12.955  -1.086   1.145
   94   2HB   SER  11          2HB       SER  11 -12.603  -2.751   0.727
   95    HG   SER  11           HG       SER  11 -14.736  -1.857  -0.009
   96    H    LYS  12           H        LYS  12 -11.974  -0.191   3.388
   97    HA   LYS  12           HA       LYS  12 -14.381   0.883   4.615
   98   1HB   LYS  12          1HB       LYS  12 -12.013  -0.014   6.102
   99   2HB   LYS  12          2HB       LYS  12 -12.436   1.655   6.422
  100   1HG   LYS  12          1HG       LYS  12 -14.744  -0.242   6.343
  101   2HG   LYS  12          2HG       LYS  12 -13.616  -0.498   7.660
  102   1HD   LYS  12          1HD       LYS  12 -13.803   2.058   8.104
  103   2HD   LYS  12          2HD       LYS  12 -15.179   2.036   7.018
  104   1HE   LYS  12          1HE       LYS  12 -15.914  -0.036   8.595
  105   2HE   LYS  12          2HE       LYS  12 -14.894   0.799   9.750
  106   1HZ   LYS  12          1HZ       LYS  12 -16.203   2.835   9.096
  107   2HZ   LYS  12          2HZ       LYS  12 -17.275   1.822   8.396
  108    H    THR  13           H        THR  13 -14.000   3.300   5.155
  109    HA   THR  13           HA       THR  13 -12.645   4.435   2.842
  110    HB   THR  13           HB       THR  13 -14.663   5.409   4.914
  111    HG1  THR  13           1HG      THR  13 -14.629   5.425   1.995
  112   1HG2  THR  13          1HG2      THR  13 -13.258   7.372   4.421
  113   2HG2  THR  13          2HG2      THR  13 -13.254   6.971   2.687
  114    H    CYS  14           H        CYS  14 -10.958   5.904   2.894
  115    HA   CYS  14           HA       CYS  14  -9.417   5.757   5.340
  116   1HB   CYS  14          1HB       CYS  14  -8.528   7.093   2.797
  117   2HB   CYS  14          2HB       CYS  14  -7.552   6.400   4.077
  118    HA   PRO  15           HA       PRO  15 -10.621   9.822   6.390
  119   1HB   PRO  15          1HB       PRO  15  -8.815  10.332   8.376
  120   2HB   PRO  15          2HB       PRO  15 -10.287   9.417   8.631
  121   1HG   PRO  15          1HG       PRO  15  -7.506   8.435   8.427
  122   2HG   PRO  15          2HG       PRO  15  -8.910   7.624   9.092
  123   1HD   PRO  15          1HD       PRO  15  -7.694   7.135   6.541
  124   2HD   PRO  15          2HD       PRO  15  -9.164   6.408   7.157
  125    H    ALA  16           H        ALA  16  -9.696  12.115   6.797
  126    HA   ALA  16           HA       ALA  16  -8.508  12.896   4.447
  127   1HB   ALA  16          1HB       ALA  16  -9.569  14.104   6.691
  128   2HB   ALA  16          2HB       ALA  16  -7.850  14.554   6.801
  129    H    GLY  17           H        GLY  17  -6.351  13.519   3.863
  130   1HA   GLY  17          1HA       GLY  17  -4.061  13.685   4.237
  131   2HA   GLY  17          2HA       GLY  17  -4.208  12.715   5.689
  132    H    LYS  18           H        LYS  18  -5.766  10.521   4.675
  133    HA   LYS  18           HA       LYS  18  -3.683   9.224   3.114
  134   1HB   LYS  18          1HB       LYS  18  -6.101   7.864   4.287
  135   2HB   LYS  18          2HB       LYS  18  -4.528   7.189   3.916
  136   1HG   LYS  18          1HG       LYS  18  -3.644   8.948   5.694
  137   2HG   LYS  18          2HG       LYS  18  -5.313   8.986   6.227
  138   1HD   LYS  18          1HD       LYS  18  -4.943   6.275   6.059
  139   2HD   LYS  18          2HD       LYS  18  -3.304   6.775   6.426
  140   1HE   LYS  18          1HE       LYS  18  -3.939   7.782   8.498
  141   2HE   LYS  18          2HE       LYS  18  -5.631   7.860   8.050
  142   1HZ   LYS  18          1HZ       LYS  18  -4.766   5.207   7.949
  143   2HZ   LYS  18          2HZ       LYS  18  -4.356   5.836   9.399
  144    H    ASN  19           H        ASN  19  -3.937   9.942   0.998
  145    HA   ASN  19           HA       ASN  19  -6.589   9.483  -0.116
  146   1HB   ASN  19          1HB       ASN  19  -4.348  11.416  -0.778
  147   2HB   ASN  19          2HB       ASN  19  -5.431  10.927  -2.066
  148   1HD2  ASN  19          1HD2      ASN  19  -4.881  13.289   0.019
  149   2HD2  ASN  19          2HD2      ASN  19  -6.474  13.882   0.351
  150    H    LEU  20           H        LEU  20  -3.792   7.878   0.355
  151    HA   LEU  20           HA       LEU  20  -3.966   6.527  -2.222
  152   1HB   LEU  20          1HB       LEU  20  -1.394   7.532  -0.997
  153   2HB   LEU  20          2HB       LEU  20  -1.493   6.409  -2.339
  154    HG   LEU  20           HG       LEU  20  -3.072   8.613  -3.103
  155   1HD1  LEU  20          1HD1      LEU  20  -0.462   9.859  -2.520
  156   2HD1  LEU  20          2HD1      LEU  20  -2.106  10.542  -2.477
  157   1HD2  LEU  20          1HD2      LEU  20  -1.504   8.833  -4.884
  158   2HD2  LEU  20          2HD2      LEU  20  -0.221   8.040  -3.939
  159    H    CYS  21           H        CYS  21  -4.012   4.335  -1.994
  160    HA   CYS  21           HA       CYS  21  -3.872   3.345   0.703
  161   1HB   CYS  21          1HB       CYS  21  -4.310   1.534  -1.622
  162   2HB   CYS  21          2HB       CYS  21  -5.029   1.510  -0.024
  163    H    TYR  22           H        TYR  22  -2.273   1.895   1.482
  164    HA   TYR  22           HA       TYR  22   0.016   1.532  -0.331
  165   1HB   TYR  22          1HB       TYR  22   1.353   1.878   1.644
  166   2HB   TYR  22          2HB       TYR  22   0.030   3.001   1.887
  167    HD1  TYR  22           1HD      TYR  22   1.546  -0.157   2.993
  168    HD2  TYR  22           2HD      TYR  22  -1.690   2.579   3.582
  169    HE1  TYR  22           1HE      TYR  22   1.007  -1.262   5.219
  170    HE2  TYR  22           2HE      TYR  22  -2.218   1.465   5.805
  171    HH   TYR  22           HH       TYR  22  -0.601   0.048   7.536
  172    H    LYS  23           H        LYS  23   1.038  -0.501  -0.429
  173    HA   LYS  23           HA       LYS  23  -0.326  -2.631   1.059
  174   1HB   LYS  23          1HB       LYS  23  -1.183  -2.627  -1.225
  175   2HB   LYS  23          2HB       LYS  23   0.445  -2.653  -1.874
  176   1HG   LYS  23          1HG       LYS  23   0.719  -4.895  -1.459
  177   2HG   LYS  23          2HG       LYS  23  -0.073  -4.809   0.101
  178   1HD   LYS  23          1HD       LYS  23  -1.682  -6.025  -1.041
  179   2HD   LYS  23          2HD       LYS  23  -2.260  -4.412  -1.408
  180   1HE   LYS  23          1HE       LYS  23  -1.889  -4.717  -3.628
  181   2HE   LYS  23          2HE       LYS  23  -0.214  -5.141  -3.340
  182   1HZ   LYS  23          1HZ       LYS  23  -1.137  -7.375  -2.660
  183   2HZ   LYS  23          2HZ       LYS  23  -2.534  -6.918  -3.371
  184    H    MET  24           H        MET  24   1.084  -3.572   2.424
  185    HA   MET  24           HA       MET  24   3.893  -3.410   1.693
  186   1HB   MET  24          1HB       MET  24   2.378  -3.808   4.319
  187   2HB   MET  24          2HB       MET  24   4.098  -4.130   4.220
  188   1HG   MET  24          1HG       MET  24   4.140  -1.680   3.099
  189   2HG   MET  24          2HG       MET  24   2.643  -1.495   3.991
  190   1HE   MET  24          1HE       MET  24   3.579  -2.277   7.594
  191   2HE   MET  24          2HE       MET  24   2.776  -0.886   6.827
  192    H    PHE  25           H        PHE  25   4.922  -5.218   0.959
  193    HA   PHE  25           HA       PHE  25   4.064  -7.793   1.986
  194   1HB   PHE  25          1HB       PHE  25   3.887  -8.653  -0.367
  195   2HB   PHE  25          2HB       PHE  25   2.744  -7.349  -0.113
  196    HD1  PHE  25           1HD      PHE  25   5.709  -8.422  -1.907
  197    HD2  PHE  25           2HD      PHE  25   3.178  -5.116  -1.085
  198    HE1  PHE  25           1HE      PHE  25   6.668  -7.197  -3.877
  199    HE2  PHE  25           2HE      PHE  25   4.138  -3.891  -3.055
  200    HZ   PHE  25           HZ       PHE  25   5.871  -4.947  -4.427
  201    H    MET  26           H        MET  26   5.606  -9.577   0.989
  202    HA   MET  26           HA       MET  26   8.265  -8.442   1.211
  203   1HB   MET  26          1HB       MET  26   7.081 -11.243   1.540
  204   2HB   MET  26          2HB       MET  26   8.815 -11.002   1.464
  205   1HG   MET  26          1HG       MET  26   8.880 -10.327   3.634
  206   2HG   MET  26          2HG       MET  26   7.674  -9.090   3.338
  207   1HE   MET  26          1HE       MET  26   7.368  -9.426   5.620
  208   2HE   MET  26          2HE       MET  26   5.661  -9.872   5.852
  209    H    VAL  27           H        VAL  27   9.988  -9.087  -0.267
  210    HA   VAL  27           HA       VAL  27   9.201  -9.073  -2.939
  211    HB   VAL  27           HB       VAL  27  11.361  -8.296  -1.908
  212   1HG1  VAL  27          1HG1      VAL  27  11.790 -10.381  -0.600
  213   2HG1  VAL  27          2HG1      VAL  27  12.148 -11.220  -2.128
  214   1HG2  VAL  27          1HG2      VAL  27  12.735  -8.942  -3.893
  215   2HG2  VAL  27          2HG2      VAL  27  11.457 -10.093  -4.352
  216    H    ALA  28           H        ALA  28   9.180 -11.602  -0.609
  217    HA   ALA  28           HA       ALA  28   9.963 -13.855  -1.788
  218   1HB   ALA  28          1HB       ALA  28   8.753 -13.567   0.408
  219   2HB   ALA  28          2HB       ALA  28   7.226 -13.506  -0.505
  220    H    ALA  29           H        ALA  29   7.024 -11.951  -2.648
  221    HA   ALA  29           HA       ALA  29   7.114 -12.975  -5.302
  222   1HB   ALA  29          1HB       ALA  29   4.719 -13.755  -3.595
  223   2HB   ALA  29          2HB       ALA  29   5.010 -14.168  -5.301
  224    HA   PRO  30           HA       PRO  30   5.061  -9.204  -5.813
  225   1HB   PRO  30          1HB       PRO  30   3.976  -9.484  -8.306
  226   2HB   PRO  30          2HB       PRO  30   5.660  -9.085  -8.033
  227   1HG   PRO  30          1HG       PRO  30   4.478 -11.659  -8.880
  228   2HG   PRO  30          2HG       PRO  30   6.140 -11.119  -9.011
  229   1HD   PRO  30          1HD       PRO  30   5.082 -12.969  -7.091
  230   2HD   PRO  30          2HD       PRO  30   6.717 -12.340  -7.150
  231    H    HIS  31           H        HIS  31   3.385 -12.059  -5.485
  232    HA   HIS  31           HA       HIS  31   0.975 -10.491  -4.972
  233   1HB   HIS  31          1HB       HIS  31   1.012 -11.841  -7.202
  234   2HB   HIS  31          2HB       HIS  31   0.811 -13.247  -6.174
  235    HD1  HIS  31           1HD      HIS  31  -1.157 -10.997  -8.079
  236    HD2  HIS  31           2HD      HIS  31  -1.566 -12.680  -4.259
  237    HE1  HIS  31           1HE      HIS  31  -3.630 -10.818  -7.480
  238    H    VAL  32           H        VAL  32   2.312 -10.687  -2.824
  239    HA   VAL  32           HA       VAL  32   1.024 -12.758  -1.313
  240    HB   VAL  32           HB       VAL  32   3.972 -12.781  -1.876
  241   1HG1  VAL  32          1HG1      VAL  32   4.271 -12.805   0.386
  242   2HG1  VAL  32          2HG1      VAL  32   2.621 -13.385   0.713
  243   1HG2  VAL  32          1HG2      VAL  32   1.733 -14.809  -1.859
  244   2HG2  VAL  32          2HG2      VAL  32   2.827 -14.355  -3.189
  245    HA   PRO  33           HA       PRO  33   1.670  -8.792   0.754
  246   1HB   PRO  33          1HB       PRO  33  -0.943  -8.274   1.361
  247   2HB   PRO  33          2HB       PRO  33  -0.151  -7.652  -0.074
  248   1HG   PRO  33          1HG       PRO  33  -2.110  -9.855   0.155
  249   2HG   PRO  33          2HG       PRO  33  -1.637  -8.950  -1.269
  250   1HD   PRO  33          1HD       PRO  33  -0.808 -11.605  -0.570
  251   2HD   PRO  33          2HD       PRO  33  -0.247 -10.656  -1.932
  252    H    VAL  34           H        VAL  34   1.479  -8.126   3.001
  253    HA   VAL  34           HA       VAL  34   0.815 -10.475   4.637
  254    HB   VAL  34           HB       VAL  34   3.248 -10.108   4.388
  255   1HG1  VAL  34          1HG1      VAL  34   3.133  -7.624   4.142
  256   2HG1  VAL  34          2HG1      VAL  34   2.781  -7.508   5.882
  257   1HG2  VAL  34          1HG2      VAL  34   2.107  -9.624   7.160
  258   2HG2  VAL  34          2HG2      VAL  34   2.406 -11.199   6.387
  259    H    LYS  35           H        LYS  35   1.069  -6.886   4.381
  260    HA   LYS  35           HA       LYS  35  -1.309  -6.673   5.995
  261   1HB   LYS  35          1HB       LYS  35   1.325  -5.498   6.931
  262   2HB   LYS  35          2HB       LYS  35  -0.243  -5.049   7.571
  263   1HG   LYS  35          1HG       LYS  35  -0.655  -7.465   8.176
  264   2HG   LYS  35          2HG       LYS  35   0.953  -7.861   7.602
  265   1HD   LYS  35          1HD       LYS  35   1.920  -7.129   9.526
  266   2HD   LYS  35          2HD       LYS  35   1.066  -5.600   9.456
  267   1HE   LYS  35          1HE       LYS  35  -0.994  -7.285  10.169
  268   2HE   LYS  35          2HE       LYS  35   0.358  -8.101  10.928
  269   1HZ   LYS  35          1HZ       LYS  35  -0.433  -6.532  12.444
  270   2HZ   LYS  35          2HZ       LYS  35   0.948  -5.884  11.863
  271    H    ARG  36           H        ARG  36  -2.461  -4.810   5.508
  272    HA   ARG  36           HA       ARG  36  -1.160  -2.810   3.759
  273   1HB   ARG  36          1HB       ARG  36  -3.619  -4.458   3.073
  274   2HB   ARG  36          2HB       ARG  36  -3.199  -2.936   2.251
  275   1HG   ARG  36          1HG       ARG  36  -1.728  -4.031   0.944
  276   2HG   ARG  36          2HG       ARG  36  -0.843  -4.586   2.385
  277   1HD   ARG  36          1HD       ARG  36  -1.591  -6.519   1.082
  278   2HD   ARG  36          2HD       ARG  36  -2.467  -6.460   2.627
  279    HE   ARG  36           HE       ARG  36  -4.003  -5.058   0.713
  280   1HH1  ARG  36          1HH1      ARG  36  -5.885  -7.845  -0.350
  281   2HH1  ARG  36          2HH1      ARG  36  -5.798  -6.099  -0.305
  282   1HH2  ARG  36          1HH2      ARG  36  -4.199  -9.117   0.612
  283   2HH2  ARG  36          2HH2      ARG  36  -2.841  -8.329   1.382
  284    H    GLY  37           H        GLY  37  -2.778  -0.923   3.345
  285   1HA   GLY  37          1HA       GLY  37  -4.998  -0.493   4.954
  286   2HA   GLY  37          2HA       GLY  37  -3.607   0.040   5.879
  287    H    CYS  38           H        CYS  38  -4.810   2.192   5.608
  288    HA   CYS  38           HA       CYS  38  -4.396   3.335   2.965
  289   1HB   CYS  38          1HB       CYS  38  -5.915   4.347   5.376
  290   2HB   CYS  38          2HB       CYS  38  -5.705   5.256   3.893
  291    H    ILE  39           H        ILE  39  -3.253   5.448   2.804
  292    HA   ILE  39           HA       ILE  39  -1.815   6.416   5.061
  293    HB   ILE  39           HB       ILE  39  -0.630   4.249   4.090
  294   1HG1  ILE  39          1HG1      ILE  39   1.587   5.767   4.656
  295   2HG1  ILE  39          2HG1      ILE  39   0.317   6.707   5.415
  296   1HG2  ILE  39          1HG2      ILE  39   1.221   4.955   2.557
  297   2HG2  ILE  39          2HG2      ILE  39  -0.398   4.944   1.816
  298   1HD1  ILE  39          1HD1      ILE  39   1.329   4.939   6.917
  299   2HD1  ILE  39          2HD1      ILE  39  -0.434   4.789   6.720
  300    H    ASP  40           H        ASP  40  -0.049   8.073   4.056
  301    HA   ASP  40           HA       ASP  40  -1.534   9.547   1.933
  302   1HB   ASP  40          1HB       ASP  40  -1.512  10.695   4.095
  303   2HB   ASP  40          2HB       ASP  40   0.257  10.549   4.178
  304    HD2  ASP  40           HD       ASP  40  -0.669  12.785   1.086
  305    H    VAL  41           H        VAL  41   1.745   8.753   3.248
  306    HA   VAL  41           HA       VAL  41   2.745   9.151   0.513
  307    HB   VAL  41           HB       VAL  41   3.415  10.913   2.164
  308   1HG1  VAL  41          1HG1      VAL  41   4.383  10.456   4.137
  309   2HG1  VAL  41          2HG1      VAL  41   3.810   8.789   3.891
  310   1HG2  VAL  41          1HG2      VAL  41   5.884  10.749   1.599
  311   2HG2  VAL  41          2HG2      VAL  41   5.522   9.172   0.857
  312    H    CYS  42           H        CYS  42   4.523   7.714  -0.114
  313    HA   CYS  42           HA       CYS  42   4.255   5.165   1.270
  314   1HB   CYS  42          1HB       CYS  42   4.162   5.833  -1.420
  315   2HB   CYS  42          2HB       CYS  42   5.770   5.162  -1.227
  316    HA   PRO  43           HA       PRO  43   8.308   5.796   2.787
  317   1HB   PRO  43          1HB       PRO  43   8.751   3.325   3.867
  318   2HB   PRO  43          2HB       PRO  43   7.859   4.586   4.694
  319   1HG   PRO  43          1HG       PRO  43   6.830   2.155   3.365
  320   2HG   PRO  43          2HG       PRO  43   6.034   3.184   4.539
  321   1HD   PRO  43          1HD       PRO  43   5.565   3.126   1.710
  322   2HD   PRO  43          2HD       PRO  43   4.855   4.234   2.867
  323    H    LYS  44           H        LYS  44  10.562   4.611   2.846
  324    HA   LYS  44           HA       LYS  44  11.227   4.363   0.116
  325   1HB   LYS  44          1HB       LYS  44  12.645   5.183   2.121
  326   2HB   LYS  44          2HB       LYS  44  12.971   3.488   2.417
  327   1HG   LYS  44          1HG       LYS  44  13.698   3.305  -0.041
  328   2HG   LYS  44          2HG       LYS  44  13.581   5.052  -0.131
  329   1HD   LYS  44          1HD       LYS  44  15.290   5.336   1.586
  330   2HD   LYS  44          2HD       LYS  44  15.281   3.625   1.962
  331   1HE   LYS  44          1HE       LYS  44  16.689   3.122   0.234
  332   2HE   LYS  44          2HE       LYS  44  15.790   4.110  -0.901
  333   1HZ   LYS  44          1HZ       LYS  44  18.188   4.717   0.201
  334   2HZ   LYS  44          2HZ       LYS  44  17.229   5.742  -0.633
  335    H    SER  45           H        SER  45  12.186   2.460  -0.950
  336    HA   SER  45           HA       SER  45  10.847   0.062   0.012
  337   1HB   SER  45          1HB       SER  45  11.328   1.235  -2.665
  338   2HB   SER  45          2HB       SER  45  11.676  -0.480  -2.587
  339    HG   SER  45           HG       SER  45   9.374   0.265  -3.093
  340    H    SER  46           H        SER  46  12.053  -1.791   0.486
  341    HA   SER  46           HA       SER  46  14.929  -1.461   0.155
  342   1HB   SER  46          1HB       SER  46  15.252  -2.728   2.133
  343   2HB   SER  46          2HB       SER  46  13.890  -1.691   2.506
  344    HG   SER  46           HG       SER  46  12.708  -3.789   1.493
  345    H    LEU  47           H        LEU  47  16.033  -3.847   0.166
  346    HA   LEU  47           HA       LEU  47  15.037  -5.088  -2.200
  347   1HB   LEU  47          1HB       LEU  47  17.391  -5.467  -0.387
  348   2HB   LEU  47          2HB       LEU  47  16.988  -6.705  -1.560
  349    HG   LEU  47           HG       LEU  47  17.383  -3.818  -2.358
  350   1HD1  LEU  47          1HD1      LEU  47  19.684  -4.231  -2.834
  351   2HD1  LEU  47          2HD1      LEU  47  19.392  -4.700  -1.142
  352   1HD2  LEU  47          1HD2      LEU  47  17.694  -4.673  -4.568
  353   2HD2  LEU  47          2HD2      LEU  47  17.690  -6.354  -3.982
  354    H    LEU  48           H        LEU  48  15.489  -6.151   1.245
  355    HA   LEU  48           HA       LEU  48  14.385  -8.651   0.973
  356   1HB   LEU  48          1HB       LEU  48  15.528  -7.304   2.959
  357   2HB   LEU  48          2HB       LEU  48  13.860  -7.077   3.448
  358    HG   LEU  48           HG       LEU  48  14.465  -9.863   2.766
  359   1HD1  LEU  48          1HD1      LEU  48  16.021 -10.419   4.387
  360   2HD1  LEU  48          2HD1      LEU  48  16.669  -8.892   3.741
  361   1HD2  LEU  48          1HD2      LEU  48  13.008 -10.328   4.452
  362   2HD2  LEU  48          2HD2      LEU  48  13.576  -8.985   5.472
  363    H    VAL  49           H        VAL  49  12.673  -5.651   2.120
  364    HA   VAL  49           HA       VAL  49  10.209  -6.888   1.099
  365    HB   VAL  49           HB       VAL  49   9.065  -5.486   2.804
  366   1HG1  VAL  49          1HG1      VAL  49  10.275  -7.950   3.080
  367   2HG1  VAL  49          2HG1      VAL  49  10.860  -7.067   4.511
  368   1HG2  VAL  49          1HG2      VAL  49  10.409  -4.588   4.686
  369   2HG2  VAL  49          2HG2      VAL  49  11.894  -4.966   3.780
  370    H    LYS  50           H        LYS  50   8.633  -5.411   0.124
  371    HA   LYS  50           HA       LYS  50   9.725  -2.818  -0.631
  372   1HB   LYS  50          1HB       LYS  50   9.799  -5.060  -2.360
  373   2HB   LYS  50          2HB       LYS  50   8.498  -4.039  -2.940
  374   1HG   LYS  50          1HG       LYS  50  10.090  -2.055  -2.822
  375   2HG   LYS  50          2HG       LYS  50  11.378  -3.170  -2.411
  376   1HD   LYS  50          1HD       LYS  50   9.734  -3.789  -4.860
  377   2HD   LYS  50          2HD       LYS  50  10.863  -2.452  -4.963
  378   1HE   LYS  50          1HE       LYS  50  12.674  -3.841  -5.017
  379   2HE   LYS  50          2HE       LYS  50  12.087  -4.799  -3.672
  380   1HZ   LYS  50          1HZ       LYS  50  10.590  -5.158  -6.075
  381   2HZ   LYS  50          2HZ       LYS  50  12.152  -5.616  -6.209
  382    H    TYR  51           H        TYR  51   8.033  -1.347  -1.478
  383    HA   TYR  51           HA       TYR  51   5.336  -2.235  -0.726
  384   1HB   TYR  51          1HB       TYR  51   6.559   0.545  -0.276
  385   2HB   TYR  51          2HB       TYR  51   5.093  -0.084   0.448
  386    HD1  TYR  51           1HD      TYR  51   7.964   1.062   1.520
  387    HD2  TYR  51           2HD      TYR  51   5.984  -2.730   1.450
  388    HE1  TYR  51           1HE      TYR  51   9.283   0.327   3.565
  389    HE2  TYR  51           2HE      TYR  51   7.310  -3.452   3.496
  390    HH   TYR  51           HH       TYR  51   9.634  -2.758   4.469
  391    H    VAL  52           H        VAL  52   3.591  -1.054  -1.794
  392    HA   VAL  52           HA       VAL  52   4.434   0.603  -4.037
  393    HB   VAL  52           HB       VAL  52   2.816  -1.940  -4.245
  394   1HG1  VAL  52          1HG1      VAL  52   3.339  -0.533  -6.753
  395   2HG1  VAL  52          2HG1      VAL  52   1.827  -1.232  -6.127
  396   1HG2  VAL  52          1HG2      VAL  52   4.563  -2.430  -6.030
  397   2HG2  VAL  52          2HG2      VAL  52   5.476  -1.045  -5.383
  398    H    CYS  53           H        CYS  53   3.198   2.409  -4.097
  399    HA   CYS  53           HA       CYS  53   0.677   2.289  -2.620
  400   1HB   CYS  53          1HB       CYS  53   2.671   4.473  -3.108
  401   2HB   CYS  53          2HB       CYS  53   0.994   4.889  -2.816
  402    H    CYS  54           H        CYS  54  -1.141   3.624  -3.598
  403    HA   CYS  54           HA       CYS  54  -0.919   4.397  -6.315
  404   1HB   CYS  54          1HB       CYS  54  -2.920   2.659  -6.804
  405   2HB   CYS  54          2HB       CYS  54  -1.242   2.388  -7.231
  406    H    ASN  55           H        ASN  55  -2.741   5.720  -6.876
  407    HA   ASN  55           HA       ASN  55  -4.462   6.234  -4.598
  408   1HB   ASN  55          1HB       ASN  55  -5.005   8.369  -5.970
  409   2HB   ASN  55          2HB       ASN  55  -3.379   8.253  -5.325
  410   1HD2  ASN  55          1HD2      ASN  55  -5.093   9.081  -7.946
  411   2HD2  ASN  55          2HD2      ASN  55  -3.955   8.804  -9.223
  412    H    THR  56           H        THR  56  -5.614   4.117  -5.376
  413    HA   THR  56           HA       THR  56  -7.784   4.892  -7.148
  414    HB   THR  56           HB       THR  56  -7.458   2.796  -8.506
  415    HG1  THR  56           1HG      THR  56  -5.044   2.829  -6.834
  416   1HG2  THR  56          1HG2      THR  56  -5.601   3.535  -9.841
  417   2HG2  THR  56          2HG2      THR  56  -6.267   5.033  -9.146
  418    H    ASP  57           H        ASP  57  -9.676   3.630  -6.867
  419    HA   ASP  57           HA       ASP  57 -10.087   2.794  -4.173
  420   1HB   ASP  57          1HB       ASP  57 -11.624   2.938  -6.704
  421   2HB   ASP  57          2HB       ASP  57 -12.174   1.699  -5.556
  422    HD2  ASP  57           HD       ASP  57 -13.792   4.812  -4.682
  423    H    LYS  58           H        LYS  58  -9.457   0.949  -3.197
  424    HA   LYS  58           HA       LYS  58  -8.888  -1.160  -2.883
  425   1HB   LYS  58          1HB       LYS  58 -10.895  -1.368  -5.070
  426   2HB   LYS  58          2HB       LYS  58  -9.896  -2.781  -4.793
  427   1HG   LYS  58          1HG       LYS  58 -11.504  -3.248  -3.210
  428   2HG   LYS  58          2HG       LYS  58 -10.505  -2.212  -2.210
  429   1HD   LYS  58          1HD       LYS  58 -11.982  -0.405  -2.342
  430   2HD   LYS  58          2HD       LYS  58 -12.585  -0.869  -3.921
  431   1HE   LYS  58          1HE       LYS  58 -13.146  -2.625  -1.509
  432   2HE   LYS  58          2HE       LYS  58 -14.124  -1.201  -1.803
  433   1HZ   LYS  58          1HZ       LYS  58 -13.672  -3.302  -3.805
  434   2HZ   LYS  58          2HZ       LYS  58 -14.982  -3.233  -2.832
  435    H    CYS  59           H        CYS  59  -6.863   0.324  -3.793
  436    HA   CYS  59           HA       CYS  59  -5.775  -0.926  -6.159
  437   1HB   CYS  59          1HB       CYS  59  -4.443   0.864  -6.357
  438   2HB   CYS  59          2HB       CYS  59  -5.637   1.606  -5.310
  439    H    ASN  60           H        ASN  60  -5.095  -0.536  -2.616
  440    HA   ASN  60           HA       ASN  60  -2.900  -2.335  -2.772
  441   1HB   ASN  60          1HB       ASN  60  -2.648  -1.911  -0.403
  442   2HB   ASN  60          2HB       ASN  60  -3.155  -0.388  -1.106
  443   1HD2  ASN  60          1HD2      ASN  60  -3.432  -1.099   1.593
  444   2HD2  ASN  60          2HD2      ASN  60  -5.113  -1.171   2.003
  445   1H    HOH  61          1H        HOH  61   4.380  -9.186   2.850
  446   2H    HOH  61          2H        HOH  61   5.115 -10.489   2.620
  447   1H    HOH  62          1H        HOH  62   5.073 -13.829  -8.840
  448   2H    HOH  62          2H        HOH  62   5.987 -14.123 -10.010
  Start of MODEL    8
    1    H    LEU   1           H        LEU   1 -13.437   5.967  -2.534
    2    HA   LEU   1           HA       LEU   1 -11.011   6.326  -2.061
    3   1HB   LEU   1          1HB       LEU   1 -12.302   8.452  -0.491
    4   2HB   LEU   1          2HB       LEU   1 -11.075   7.553   0.378
    5    HG   LEU   1           HG       LEU   1 -10.401   8.556  -2.359
    6   1HD1  LEU   1          1HD1      LEU   1 -10.952  10.285   0.018
    7   2HD1  LEU   1          2HD1      LEU   1  -9.579  10.689  -1.042
    8   1HD2  LEU   1          1HD2      LEU   1  -8.980   7.770   0.134
    9   2HD2  LEU   1          2HD2      LEU   1  -8.579   7.457  -1.572
   10    H    LYS   2           H        LYS   2 -12.000   4.071  -2.062
   11    HA   LYS   2           HA       LYS   2 -12.050   3.155   0.713
   12   1HB   LYS   2          1HB       LYS   2 -14.390   3.344   0.002
   13   2HB   LYS   2          2HB       LYS   2 -14.065   2.358  -1.409
   14   1HG   LYS   2          1HG       LYS   2 -13.638   0.400  -0.092
   15   2HG   LYS   2          2HG       LYS   2 -13.435   1.328   1.381
   16   1HD   LYS   2          1HD       LYS   2 -15.611   0.359   1.565
   17   2HD   LYS   2          2HD       LYS   2 -15.901   2.033   1.138
   18   1HE   LYS   2          1HE       LYS   2 -16.168   1.392  -1.259
   19   2HE   LYS   2          2HE       LYS   2 -15.838  -0.282  -0.857
   20   1HZ   LYS   2          1HZ       LYS   2 -18.258   0.987  -0.763
   21   2HZ   LYS   2          2HZ       LYS   2 -17.925  -0.527  -0.249
   22    H    CYS   3           H        CYS   3 -10.606   1.543   1.042
   23    HA   CYS   3           HA       CYS   3  -9.788   0.037  -1.333
   24   1HB   CYS   3          1HB       CYS   3  -8.106   1.430   0.710
   25   2HB   CYS   3          2HB       CYS   3  -7.526  -0.079   0.034
   26    H    LYS   4           H        LYS   4  -8.220  -1.902  -0.153
   27    HA   LYS   4           HA       LYS   4 -10.155  -3.209   1.601
   28   1HB   LYS   4          1HB       LYS   4  -7.988  -4.214  -0.243
   29   2HB   LYS   4          2HB       LYS   4  -8.679  -5.244   0.994
   30   1HG   LYS   4          1HG       LYS   4 -10.997  -4.355  -0.029
   31   2HG   LYS   4          2HG       LYS   4 -10.005  -4.049  -1.442
   32   1HD   LYS   4          1HD       LYS   4  -9.213  -6.624  -0.657
   33   2HD   LYS   4          2HD       LYS   4 -10.933  -6.622  -0.324
   34   1HE   LYS   4          1HE       LYS   4 -11.073  -5.495  -2.754
   35   2HE   LYS   4          2HE       LYS   4  -9.512  -6.262  -2.967
   36   1HZ   LYS   4          1HZ       LYS   4 -10.437  -8.279  -2.951
   37   2HZ   LYS   4          2HZ       LYS   4 -11.547  -7.924  -1.807
   38    H    LYS   5           H        LYS   5  -9.447  -4.296   3.551
   39    HA   LYS   5           HA       LYS   5  -7.283  -2.827   4.803
   40   1HB   LYS   5          1HB       LYS   5  -9.576  -4.512   5.770
   41   2HB   LYS   5          2HB       LYS   5  -8.202  -4.238   6.821
   42   1HG   LYS   5          1HG       LYS   5  -8.484  -1.713   6.268
   43   2HG   LYS   5          2HG       LYS   5 -10.036  -2.147   5.579
   44   1HD   LYS   5          1HD       LYS   5 -10.919  -2.016   7.664
   45   2HD   LYS   5          2HD       LYS   5 -10.011  -3.456   8.080
   46   1HE   LYS   5          1HE       LYS   5  -8.526  -2.285   9.360
   47   2HE   LYS   5          2HE       LYS   5  -8.313  -1.049   8.136
   48   1HZ   LYS   5          1HZ       LYS   5  -9.337  -0.041   9.960
   49   2HZ   LYS   5          2HZ       LYS   5 -10.528  -0.201   8.854
   50    H    LEU   6           H        LEU   6  -6.319  -4.642   6.669
   51    HA   LEU   6           HA       LEU   6  -4.260  -5.836   5.450
   52   1HB   LEU   6          1HB       LEU   6  -5.747  -6.346   7.969
   53   2HB   LEU   6          2HB       LEU   6  -4.610  -7.577   7.457
   54    HG   LEU   6           HG       LEU   6  -2.933  -5.578   7.230
   55   1HD1  LEU   6          1HD1      LEU   6  -4.949  -4.413   9.171
   56   2HD1  LEU   6          2HD1      LEU   6  -3.331  -3.760   8.818
   57   1HD2  LEU   6          1HD2      LEU   6  -3.731  -7.271   9.480
   58   2HD2  LEU   6          2HD2      LEU   6  -2.116  -6.911   8.823
   59    H    VAL   7           H        VAL   7  -7.052  -7.871   6.565
   60    HA   VAL   7           HA       VAL   7  -6.393  -9.771   4.489
   61    HB   VAL   7           HB       VAL   7  -8.441  -9.764   6.714
   62   1HG1  VAL   7          1HG1      VAL   7  -8.977 -11.157   4.619
   63   2HG1  VAL   7          2HG1      VAL   7  -7.599 -12.176   5.098
   64   1HG2  VAL   7          1HG2      VAL   7  -5.668 -10.929   6.436
   65   2HG2  VAL   7          2HG2      VAL   7  -6.329  -9.903   7.732
   66    HA   PRO   8           HA       PRO   8  -9.419  -8.287   1.772
   67   1HB   PRO   8          1HB       PRO   8  -9.586 -10.407   0.055
   68   2HB   PRO   8          2HB       PRO   8  -8.326  -9.193  -0.041
   69   1HG   PRO   8          1HG       PRO   8  -8.154 -11.966   0.969
   70   2HG   PRO   8          2HG       PRO   8  -6.858 -10.897   0.472
   71   1HD   PRO   8          1HD       PRO   8  -7.611 -11.545   3.163
   72   2HD   PRO   8          2HD       PRO   8  -6.393 -10.388   2.666
   73    H    LEU   9           H        LEU   9 -10.609  -8.776   4.072
   74    HA   LEU   9           HA       LEU   9 -12.870 -10.461   3.243
   75   1HB   LEU   9          1HB       LEU   9 -11.480 -10.128   5.874
   76   2HB   LEU   9          2HB       LEU   9 -13.183 -10.537   5.840
   77    HG   LEU   9           HG       LEU   9 -11.067 -12.149   4.396
   78   1HD1  LEU   9          1HD1      LEU   9 -11.074 -11.893   7.080
   79   2HD1  LEU   9          2HD1      LEU   9 -12.251 -13.216   6.894
   80   1HD2  LEU   9          1HD2      LEU   9 -13.735 -12.170   3.978
   81   2HD2  LEU   9          2HD2      LEU   9 -12.686 -13.596   3.788
   82    H    PHE  10           H        PHE  10 -11.717  -7.407   4.698
   83    HA   PHE  10           HA       PHE  10 -14.387  -6.327   4.196
   84   1HB   PHE  10          1HB       PHE  10 -12.631  -5.604   6.601
   85   2HB   PHE  10          2HB       PHE  10 -14.335  -5.252   6.393
   86    HD1  PHE  10           1HD      PHE  10 -15.999  -6.808   7.062
   87    HD2  PHE  10           2HD      PHE  10 -11.915  -7.961   7.059
   88    HE1  PHE  10           1HE      PHE  10 -16.585  -8.887   8.339
   89    HE2  PHE  10           2HE      PHE  10 -12.501 -10.040   8.336
   90    HZ   PHE  10           HZ       PHE  10 -14.829 -10.479   8.961
   91    H    SER  11           H        SER  11 -14.381  -3.906   4.028
   92    HA   SER  11           HA       SER  11 -11.735  -2.975   3.225
   93   1HB   SER  11          1HB       SER  11 -13.042  -1.514   1.542
   94   2HB   SER  11          2HB       SER  11 -12.889  -3.219   1.171
   95    HG   SER  11           HG       SER  11 -15.015  -3.456   1.311
   96    H    LYS  12           H        LYS  12 -11.402  -0.601   3.475
   97    HA   LYS  12           HA       LYS  12 -13.377   0.703   5.179
   98   1HB   LYS  12          1HB       LYS  12 -11.308  -0.534   6.385
   99   2HB   LYS  12          2HB       LYS  12 -10.535   0.994   6.015
  100   1HG   LYS  12          1HG       LYS  12 -11.517   1.367   8.143
  101   2HG   LYS  12          2HG       LYS  12 -12.640   2.128   7.033
  102   1HD   LYS  12          1HD       LYS  12 -14.099   0.126   7.079
  103   2HD   LYS  12          2HD       LYS  12 -12.952  -0.719   8.099
  104   1HE   LYS  12          1HE       LYS  12 -14.532   0.094   9.658
  105   2HE   LYS  12          2HE       LYS  12 -13.246   1.280   9.763
  106   1HZ   LYS  12          1HZ       LYS  12 -15.739   1.935   9.344
  107   2HZ   LYS  12          2HZ       LYS  12 -14.502   2.825   8.756
  108    H    THR  13           H        THR  13 -13.249   3.037   5.115
  109    HA   THR  13           HA       THR  13 -12.044   3.944   2.619
  110    HB   THR  13           HB       THR  13 -14.163   4.980   4.552
  111    HG1  THR  13           1HG      THR  13 -14.029   4.534   1.660
  112   1HG2  THR  13          1HG2      THR  13 -12.470   6.525   2.686
  113   2HG2  THR  13          2HG2      THR  13 -14.193   6.587   2.245
  114    H    CYS  14           H        CYS  14 -10.565   5.632   2.431
  115    HA   CYS  14           HA       CYS  14  -8.981   5.974   4.829
  116   1HB   CYS  14          1HB       CYS  14  -8.286   7.084   2.125
  117   2HB   CYS  14          2HB       CYS  14  -7.222   6.652   3.448
  118    HA   PRO  15           HA       PRO  15 -10.950   9.887   5.292
  119   1HB   PRO  15          1HB       PRO  15  -9.842  10.555   7.700
  120   2HB   PRO  15          2HB       PRO  15 -11.281   9.567   7.548
  121   1HG   PRO  15          1HG       PRO  15  -8.526   8.735   8.220
  122   2HG   PRO  15          2HG       PRO  15 -10.027   7.868   8.475
  123   1HD   PRO  15          1HD       PRO  15  -8.085   7.371   6.423
  124   2HD   PRO  15          2HD       PRO  15  -9.639   6.583   6.608
  125    H    ALA  16           H        ALA  16 -10.366  12.234   5.683
  126    HA   ALA  16           HA       ALA  16  -8.617  13.059   3.815
  127   1HB   ALA  16          1HB       ALA  16  -8.898  14.487   6.475
  128   2HB   ALA  16          2HB       ALA  16  -8.742  15.189   4.847
  129    H    GLY  17           H        GLY  17  -6.412  14.012   3.935
  130   1HA   GLY  17          1HA       GLY  17  -4.282  14.144   4.777
  131   2HA   GLY  17          2HA       GLY  17  -4.734  13.137   6.138
  132    H    LYS  18           H        LYS  18  -5.832  10.860   4.907
  133    HA   LYS  18           HA       LYS  18  -3.495   9.862   3.434
  134   1HB   LYS  18          1HB       LYS  18  -4.528   7.603   4.370
  135   2HB   LYS  18          2HB       LYS  18  -3.410   8.574   5.306
  136   1HG   LYS  18          1HG       LYS  18  -5.337   9.709   6.431
  137   2HG   LYS  18          2HG       LYS  18  -6.456   8.737   5.495
  138   1HD   LYS  18          1HD       LYS  18  -6.187   6.922   6.851
  139   2HD   LYS  18          2HD       LYS  18  -4.440   7.066   6.839
  140   1HE   LYS  18          1HE       LYS  18  -6.034   9.081   8.433
  141   2HE   LYS  18          2HE       LYS  18  -5.844   7.466   9.085
  142   1HZ   LYS  18          1HZ       LYS  18  -3.741   7.886   9.559
  143   2HZ   LYS  18          2HZ       LYS  18  -3.406   8.504   8.085
  144    H    ASN  19           H        ASN  19  -4.226  10.431   1.347
  145    HA   ASN  19           HA       ASN  19  -6.757   9.201   0.609
  146   1HB   ASN  19          1HB       ASN  19  -5.176  11.570  -0.412
  147   2HB   ASN  19          2HB       ASN  19  -6.176  10.708  -1.564
  148   1HD2  ASN  19          1HD2      ASN  19  -6.813  13.221  -1.171
  149   2HD2  ASN  19          2HD2      ASN  19  -8.243  13.424  -0.216
  150    H    LEU  20           H        LEU  20  -3.708   8.233   0.857
  151    HA   LEU  20           HA       LEU  20  -3.585   7.081  -1.844
  152   1HB   LEU  20          1HB       LEU  20  -1.330   7.819   0.026
  153   2HB   LEU  20          2HB       LEU  20  -1.137   6.927  -1.470
  154    HG   LEU  20           HG       LEU  20  -2.319   9.711  -1.346
  155   1HD1  LEU  20          1HD1      LEU  20  -0.288  10.481  -0.870
  156   2HD1  LEU  20          2HD1      LEU  20   0.444   8.868  -1.046
  157   1HD2  LEU  20          1HD2      LEU  20  -2.806   8.212  -3.333
  158   2HD2  LEU  20          2HD2      LEU  20  -2.054   9.785  -3.691
  159    H    CYS  21           H        CYS  21  -3.658   4.885  -2.002
  160    HA   CYS  21           HA       CYS  21  -3.859   3.461   0.523
  161   1HB   CYS  21          1HB       CYS  21  -4.621   2.708  -2.302
  162   2HB   CYS  21          2HB       CYS  21  -4.696   1.595  -0.951
  163    H    TYR  22           H        TYR  22  -2.231   2.080   1.204
  164    HA   TYR  22           HA       TYR  22  -0.181   1.381  -0.786
  165   1HB   TYR  22          1HB       TYR  22   1.471   2.015   0.846
  166   2HB   TYR  22          2HB       TYR  22   0.247   3.250   1.064
  167    HD1  TYR  22           1HD      TYR  22  -0.759   3.582   3.168
  168    HD2  TYR  22           2HD      TYR  22   1.390  -0.040   2.415
  169    HE1  TYR  22           1HE      TYR  22  -0.951   2.949   5.623
  170    HE2  TYR  22           2HE      TYR  22   1.190  -0.661   4.872
  171    HH   TYR  22           HH       TYR  22   0.918   0.677   7.048
  172    H    LYS  23           H        LYS  23   1.058  -0.600  -0.245
  173    HA   LYS  23           HA       LYS  23  -0.197  -2.307   1.741
  174   1HB   LYS  23          1HB       LYS  23  -0.588  -4.123   0.172
  175   2HB   LYS  23          2HB       LYS  23  -1.523  -2.711  -0.276
  176   1HG   LYS  23          1HG       LYS  23  -0.255  -2.291  -2.186
  177   2HG   LYS  23          2HG       LYS  23   1.213  -2.952  -1.494
  178   1HD   LYS  23          1HD       LYS  23   0.148  -5.270  -1.652
  179   2HD   LYS  23          2HD       LYS  23  -1.184  -4.538  -2.525
  180   1HE   LYS  23          1HE       LYS  23   1.193  -3.583  -3.789
  181   2HE   LYS  23          2HE       LYS  23   1.453  -5.294  -3.513
  182   1HZ   LYS  23          1HZ       LYS  23  -1.058  -4.327  -4.659
  183   2HZ   LYS  23          2HZ       LYS  23   0.247  -4.604  -5.601
  184    H    MET  24           H        MET  24   1.263  -3.699   2.701
  185    HA   MET  24           HA       MET  24   3.952  -3.547   1.576
  186   1HB   MET  24          1HB       MET  24   2.966  -3.917   4.459
  187   2HB   MET  24          2HB       MET  24   4.654  -4.028   4.000
  188   1HG   MET  24          1HG       MET  24   4.568  -1.679   3.124
  189   2HG   MET  24          2HG       MET  24   2.882  -1.568   3.591
  190   1HE   MET  24          1HE       MET  24   4.766   0.747   5.246
  191   2HE   MET  24          2HE       MET  24   3.118   0.325   4.721
  192    H    PHE  25           H        PHE  25   4.938  -5.438   0.954
  193    HA   PHE  25           HA       PHE  25   3.923  -7.923   2.091
  194   1HB   PHE  25          1HB       PHE  25   3.594  -8.840  -0.145
  195   2HB   PHE  25          2HB       PHE  25   2.812  -7.272  -0.166
  196    HD1  PHE  25           1HD      PHE  25   4.214  -5.288  -1.068
  197    HD2  PHE  25           2HD      PHE  25   5.196  -9.359  -1.753
  198    HE1  PHE  25           1HE      PHE  25   5.608  -4.619  -3.045
  199    HE2  PHE  25           2HE      PHE  25   6.590  -8.690  -3.731
  200    HZ   PHE  25           HZ       PHE  25   6.779  -6.328  -4.353
  201    H    MET  26           H        MET  26   5.391  -9.833   1.263
  202    HA   MET  26           HA       MET  26   8.103  -8.864   1.577
  203   1HB   MET  26          1HB       MET  26   6.803 -11.632   1.815
  204   2HB   MET  26          2HB       MET  26   8.526 -11.376   2.003
  205   1HG   MET  26          1HG       MET  26   7.678  -9.498   3.756
  206   2HG   MET  26          2HG       MET  26   6.272 -10.541   3.821
  207   1HE   MET  26          1HE       MET  26   6.297 -11.135   5.953
  208   2HE   MET  26          2HE       MET  26   7.358 -12.312   6.764
  209    H    VAL  27           H        VAL  27   9.854  -9.639   0.202
  210    HA   VAL  27           HA       VAL  27   9.217  -9.635  -2.505
  211    HB   VAL  27           HB       VAL  27  11.360  -8.960  -1.458
  212   1HG1  VAL  27          1HG1      VAL  27  11.319 -11.303  -0.125
  213   2HG1  VAL  27          2HG1      VAL  27  12.379 -11.755  -1.482
  214   1HG2  VAL  27          1HG2      VAL  27  11.230  -9.309  -3.867
  215   2HG2  VAL  27          2HG2      VAL  27  12.813  -9.844  -3.253
  216    H    ALA  28           H        ALA  28   8.901 -12.114  -0.137
  217    HA   ALA  28           HA       ALA  28   9.570 -14.440  -1.225
  218   1HB   ALA  28          1HB       ALA  28   7.433 -15.340  -0.227
  219   2HB   ALA  28          2HB       ALA  28   8.362 -14.283   0.864
  220    H    ALA  29           H        ALA  29   6.824 -12.360  -2.298
  221    HA   ALA  29           HA       ALA  29   6.995 -13.530  -4.912
  222   1HB   ALA  29          1HB       ALA  29   4.644 -14.291  -4.957
  223   2HB   ALA  29          2HB       ALA  29   5.591 -15.193  -3.750
  224    HA   PRO  30           HA       PRO  30   5.625  -9.514  -5.757
  225   1HB   PRO  30          1HB       PRO  30   4.885  -9.756  -8.376
  226   2HB   PRO  30          2HB       PRO  30   6.550  -9.566  -7.865
  227   1HG   PRO  30          1HG       PRO  30   5.171 -11.999  -8.822
  228   2HG   PRO  30          2HG       PRO  30   6.891 -11.682  -8.715
  229   1HD   PRO  30          1HD       PRO  30   5.330 -13.301  -6.934
  230   2HD   PRO  30          2HD       PRO  30   7.025 -12.890  -6.763
  231    H    HIS  31           H        HIS  31   3.602 -12.003  -5.286
  232    HA   HIS  31           HA       HIS  31   1.372 -10.157  -5.228
  233   1HB   HIS  31          1HB       HIS  31   1.517 -11.517  -7.467
  234   2HB   HIS  31          2HB       HIS  31   0.924 -12.847  -6.492
  235    HD1  HIS  31           1HD      HIS  31  -0.077  -9.244  -7.338
  236    HD2  HIS  31           2HD      HIS  31  -1.802 -12.904  -6.229
  237    HE1  HIS  31           1HE      HIS  31  -2.604  -8.906  -7.447
  238    H    VAL  32           H        VAL  32   2.402 -10.579  -2.938
  239    HA   VAL  32           HA       VAL  32   0.624 -12.407  -1.638
  240    HB   VAL  32           HB       VAL  32   3.596 -12.921  -1.736
  241   1HG1  VAL  32          1HG1      VAL  32   3.082 -14.715  -0.002
  242   2HG1  VAL  32          2HG1      VAL  32   3.102 -13.034   0.583
  243   1HG2  VAL  32          1HG2      VAL  32   2.515 -14.091  -3.478
  244   2HG2  VAL  32          2HG2      VAL  32   2.716 -15.287  -2.175
  245    HA   PRO  33           HA       PRO  33   1.648  -8.678   0.648
  246   1HB   PRO  33          1HB       PRO  33  -0.915  -7.921   1.215
  247   2HB   PRO  33          2HB       PRO  33  -0.031  -7.338  -0.181
  248   1HG   PRO  33          1HG       PRO  33  -2.202  -9.341  -0.066
  249   2HG   PRO  33          2HG       PRO  33  -1.607  -8.445  -1.450
  250   1HD   PRO  33          1HD       PRO  33  -1.062 -11.190  -0.820
  251   2HD   PRO  33          2HD       PRO  33  -0.377 -10.261  -2.138
  252    H    VAL  34           H        VAL  34   1.587  -8.119   2.897
  253    HA   VAL  34           HA       VAL  34   0.719 -10.469   4.434
  254    HB   VAL  34           HB       VAL  34   3.172 -10.022   4.289
  255   1HG1  VAL  34          1HG1      VAL  34   2.449  -7.370   4.682
  256   2HG1  VAL  34          2HG1      VAL  34   3.143  -7.850   6.249
  257   1HG2  VAL  34          1HG2      VAL  34   1.978  -9.748   7.068
  258   2HG2  VAL  34          2HG2      VAL  34   2.148 -11.272   6.163
  259    H    LYS  35           H        LYS  35   0.676  -6.929   4.050
  260    HA   LYS  35           HA       LYS  35  -1.666  -6.795   5.677
  261   1HB   LYS  35          1HB       LYS  35  -0.847  -5.343   7.400
  262   2HB   LYS  35          2HB       LYS  35   0.117  -6.806   7.407
  263   1HG   LYS  35          1HG       LYS  35   1.875  -5.632   6.041
  264   2HG   LYS  35          2HG       LYS  35   0.917  -4.165   6.094
  265   1HD   LYS  35          1HD       LYS  35   2.113  -3.681   7.979
  266   2HD   LYS  35          2HD       LYS  35   1.026  -4.800   8.778
  267   1HE   LYS  35          1HE       LYS  35   3.213  -6.231   7.435
  268   2HE   LYS  35          2HE       LYS  35   3.836  -5.039   8.559
  269   1HZ   LYS  35          1HZ       LYS  35   3.383  -7.168   9.598
  270   2HZ   LYS  35          2HZ       LYS  35   2.481  -5.984  10.269
  271    H    ARG  36           H        ARG  36  -2.600  -4.578   5.593
  272    HA   ARG  36           HA       ARG  36  -1.434  -2.819   3.536
  273   1HB   ARG  36          1HB       ARG  36  -4.182  -4.109   3.316
  274   2HB   ARG  36          2HB       ARG  36  -3.604  -2.766   2.300
  275   1HG   ARG  36          1HG       ARG  36  -2.909  -4.460   0.927
  276   2HG   ARG  36          2HG       ARG  36  -1.520  -4.509   2.040
  277   1HD   ARG  36          1HD       ARG  36  -2.105  -6.704   2.259
  278   2HD   ARG  36          2HD       ARG  36  -3.299  -6.058   3.406
  279    HE   ARG  36           HE       ARG  36  -4.622  -5.906   1.020
  280   1HH1  ARG  36          1HH1      ARG  36  -5.535  -9.280   0.541
  281   2HH1  ARG  36          2HH1      ARG  36  -5.890  -7.618   0.124
  282   1HH2  ARG  36          1HH2      ARG  36  -3.792  -9.765   1.994
  283   2HH2  ARG  36          2HH2      ARG  36  -2.833  -8.469   2.673
  284    H    GLY  37           H        GLY  37  -2.831  -0.758   3.324
  285   1HA   GLY  37          1HA       GLY  37  -4.747  -0.035   5.190
  286   2HA   GLY  37          2HA       GLY  37  -3.196   0.308   5.931
  287    H    CYS  38           H        CYS  38  -4.536   2.539   5.624
  288    HA   CYS  38           HA       CYS  38  -3.851   3.631   3.006
  289   1HB   CYS  38          1HB       CYS  38  -5.673   4.728   5.158
  290   2HB   CYS  38          2HB       CYS  38  -5.342   5.497   3.619
  291    H    ILE  39           H        ILE  39  -2.852   5.869   3.024
  292    HA   ILE  39           HA       ILE  39  -1.730   6.857   5.428
  293    HB   ILE  39           HB       ILE  39  -0.349   4.744   4.729
  294   1HG1  ILE  39          1HG1      ILE  39   1.496   6.973   5.294
  295   2HG1  ILE  39          2HG1      ILE  39   0.092   6.923   6.341
  296   1HG2  ILE  39          1HG2      ILE  39   1.604   5.375   3.313
  297   2HG2  ILE  39          2HG2      ILE  39   0.060   5.295   2.430
  298   1HD1  ILE  39          1HD1      ILE  39   2.015   5.573   7.223
  299   2HD1  ILE  39          2HD1      ILE  39   0.557   4.589   6.952
  300    H    ASP  40           H        ASP  40   0.206   8.494   4.559
  301    HA   ASP  40           HA       ASP  40  -1.144  10.018   2.386
  302   1HB   ASP  40          1HB       ASP  40   0.326  11.901   3.454
  303   2HB   ASP  40          2HB       ASP  40  -1.163  11.385   4.274
  304    HD2  ASP  40           HD       ASP  40   1.005  11.141   6.974
  305    H    VAL  41           H        VAL  41   2.091   9.102   3.739
  306    HA   VAL  41           HA       VAL  41   3.171   9.585   1.049
  307    HB   VAL  41           HB       VAL  41   4.011  11.024   2.903
  308   1HG1  VAL  41          1HG1      VAL  41   5.825   9.128   4.088
  309   2HG1  VAL  41          2HG1      VAL  41   4.621  10.178   4.873
  310   1HG2  VAL  41          1HG2      VAL  41   5.323  10.278   0.803
  311   2HG2  VAL  41          2HG2      VAL  41   6.229  11.009   2.149
  312    H    CYS  42           H        CYS  42   4.714   8.021   0.216
  313    HA   CYS  42           HA       CYS  42   4.074   5.366   1.195
  314   1HB   CYS  42          1HB       CYS  42   4.035   6.246  -1.295
  315   2HB   CYS  42          2HB       CYS  42   5.746   5.870  -1.235
  316    HA   PRO  43           HA       PRO  43   8.016   5.135   3.064
  317   1HB   PRO  43          1HB       PRO  43   8.100   2.459   3.611
  318   2HB   PRO  43          2HB       PRO  43   7.264   3.618   4.625
  319   1HG   PRO  43          1HG       PRO  43   6.127   1.657   2.728
  320   2HG   PRO  43          2HG       PRO  43   5.330   2.509   4.036
  321   1HD   PRO  43          1HD       PRO  43   5.134   3.096   1.235
  322   2HD   PRO  43          2HD       PRO  43   4.431   4.016   2.551
  323    H    LYS  44           H        LYS  44  10.214   4.227   2.909
  324    HA   LYS  44           HA       LYS  44  10.915   4.146   0.185
  325   1HB   LYS  44          1HB       LYS  44  12.411   5.061   1.848
  326   2HB   LYS  44          2HB       LYS  44  12.473   3.538   2.711
  327   1HG   LYS  44          1HG       LYS  44  14.064   2.700   1.315
  328   2HG   LYS  44          2HG       LYS  44  13.155   3.152  -0.113
  329   1HD   LYS  44          1HD       LYS  44  14.439   5.408   1.386
  330   2HD   LYS  44          2HD       LYS  44  15.536   4.301   0.586
  331   1HE   LYS  44          1HE       LYS  44  13.704   4.662  -1.421
  332   2HE   LYS  44          2HE       LYS  44  13.555   6.206  -0.605
  333   1HZ   LYS  44          1HZ       LYS  44  15.359   5.840  -2.387
  334   2HZ   LYS  44          2HZ       LYS  44  15.707   6.727  -1.061
  335    H    SER  45           H        SER  45  11.564   2.429  -1.155
  336    HA   SER  45           HA       SER  45  10.493  -0.106  -0.273
  337   1HB   SER  45          1HB       SER  45  11.012   1.217  -2.901
  338   2HB   SER  45          2HB       SER  45  11.238  -0.521  -2.876
  339    HG   SER  45           HG       SER  45   9.042   0.069  -3.416
  340    H    SER  46           H        SER  46  11.799  -1.834   0.276
  341    HA   SER  46           HA       SER  46  14.638  -1.471  -0.279
  342   1HB   SER  46          1HB       SER  46  15.143  -2.596   1.752
  343   2HB   SER  46          2HB       SER  46  13.818  -1.524   2.159
  344    HG   SER  46           HG       SER  46  12.584  -3.720   1.394
  345    H    LEU  47           H        LEU  47  15.787  -3.831  -0.184
  346    HA   LEU  47           HA       LEU  47  14.670  -5.251  -2.374
  347   1HB   LEU  47          1HB       LEU  47  17.101  -5.480  -0.650
  348   2HB   LEU  47          2HB       LEU  47  16.637  -6.844  -1.647
  349    HG   LEU  47           HG       LEU  47  17.151  -4.046  -2.692
  350   1HD1  LEU  47          1HD1      LEU  47  18.964  -6.431  -3.055
  351   2HD1  LEU  47          2HD1      LEU  47  19.299  -4.710  -3.363
  352   1HD2  LEU  47          1HD2      LEU  47  15.635  -5.169  -4.150
  353   2HD2  LEU  47          2HD2      LEU  47  17.245  -5.226  -4.906
  354    H    LEU  48           H        LEU  48  15.346  -6.168   1.080
  355    HA   LEU  48           HA       LEU  48  14.223  -8.632   1.074
  356   1HB   LEU  48          1HB       LEU  48  15.432  -7.380   2.916
  357   2HB   LEU  48          2HB       LEU  48  13.893  -6.644   3.316
  358    HG   LEU  48           HG       LEU  48  12.944  -8.919   3.707
  359   1HD1  LEU  48          1HD1      LEU  48  13.998 -10.704   2.922
  360   2HD1  LEU  48          2HD1      LEU  48  15.433  -9.734   2.509
  361   1HD2  LEU  48          1HD2      LEU  48  13.470  -8.719   5.866
  362   2HD2  LEU  48          2HD2      LEU  48  15.205  -8.971   5.561
  363    H    VAL  49           H        VAL  49  12.444  -5.589   1.979
  364    HA   VAL  49           HA       VAL  49  10.022  -6.931   0.992
  365    HB   VAL  49           HB       VAL  49   8.781  -5.714   2.691
  366   1HG1  VAL  49          1HG1      VAL  49   9.737  -6.868   4.729
  367   2HG1  VAL  49          2HG1      VAL  49   9.458  -7.917   3.318
  368   1HG2  VAL  49          1HG2      VAL  49  10.432  -4.756   4.590
  369   2HG2  VAL  49          2HG2      VAL  49  11.419  -4.412   3.149
  370    H    LYS  50           H        LYS  50   8.443  -5.542  -0.059
  371    HA   LYS  50           HA       LYS  50   9.525  -2.940  -0.852
  372   1HB   LYS  50          1HB       LYS  50   9.924  -4.850  -2.556
  373   2HB   LYS  50          2HB       LYS  50   8.198  -4.770  -2.850
  374   1HG   LYS  50          1HG       LYS  50   8.383  -2.832  -4.034
  375   2HG   LYS  50          2HG       LYS  50   9.392  -2.085  -2.812
  376   1HD   LYS  50          1HD       LYS  50  10.989  -2.221  -4.468
  377   2HD   LYS  50          2HD       LYS  50  11.212  -3.829  -3.809
  378   1HE   LYS  50          1HE       LYS  50   9.760  -4.812  -5.515
  379   2HE   LYS  50          2HE       LYS  50   9.264  -3.230  -6.082
  380   1HZ   LYS  50          1HZ       LYS  50  11.477  -2.813  -6.811
  381   2HZ   LYS  50          2HZ       LYS  50  12.034  -4.206  -6.166
  382    H    TYR  51           H        TYR  51   7.881  -1.379  -1.474
  383    HA   TYR  51           HA       TYR  51   5.189  -2.170  -0.592
  384   1HB   TYR  51          1HB       TYR  51   6.529   0.571  -0.258
  385   2HB   TYR  51          2HB       TYR  51   5.111  -0.016   0.587
  386    HD1  TYR  51           1HD      TYR  51   8.108   1.052   1.394
  387    HD2  TYR  51           2HD      TYR  51   5.993  -2.664   1.558
  388    HE1  TYR  51           1HE      TYR  51   9.569   0.297   3.333
  389    HE2  TYR  51           2HE      TYR  51   7.462  -3.406   3.496
  390    HH   TYR  51           HH       TYR  51   9.186  -1.402   5.319
  391    H    VAL  52           H        VAL  52   3.423  -1.031  -1.607
  392    HA   VAL  52           HA       VAL  52   4.214   0.506  -3.975
  393    HB   VAL  52           HB       VAL  52   2.218  -1.760  -3.828
  394   1HG1  VAL  52          1HG1      VAL  52   2.554  -0.929  -6.501
  395   2HG1  VAL  52          2HG1      VAL  52   1.102  -0.766  -5.485
  396   1HG2  VAL  52          1HG2      VAL  52   3.785  -3.085  -4.719
  397   2HG2  VAL  52          2HG2      VAL  52   4.227  -1.865  -5.938
  398    H    CYS  53           H        CYS  53   2.803   2.214  -4.526
  399    HA   CYS  53           HA       CYS  53   0.539   2.566  -2.716
  400   1HB   CYS  53          1HB       CYS  53   2.763   4.528  -3.240
  401   2HB   CYS  53          2HB       CYS  53   1.169   5.063  -2.744
  402    H    CYS  54           H        CYS  54  -1.106   4.091  -3.661
  403    HA   CYS  54           HA       CYS  54  -0.782   4.981  -6.324
  404   1HB   CYS  54          1HB       CYS  54  -2.908   3.448  -6.950
  405   2HB   CYS  54          2HB       CYS  54  -1.249   3.064  -7.366
  406    H    ASN  55           H        ASN  55  -3.069   5.844  -7.101
  407    HA   ASN  55           HA       ASN  55  -4.574   6.593  -4.719
  408   1HB   ASN  55          1HB       ASN  55  -4.969   8.824  -5.817
  409   2HB   ASN  55          2HB       ASN  55  -3.270   8.543  -5.488
  410   1HD2  ASN  55          1HD2      ASN  55  -5.143   9.913  -7.619
  411   2HD2  ASN  55          2HD2      ASN  55  -4.345   9.590  -9.122
  412    H    THR  56           H        THR  56  -5.778   4.544  -5.598
  413    HA   THR  56           HA       THR  56  -7.933   5.451  -7.305
  414    HB   THR  56           HB       THR  56  -7.622   3.623  -8.932
  415    HG1  THR  56           1HG      THR  56  -6.625   2.043  -7.602
  416   1HG2  THR  56          1HG2      THR  56  -6.194   5.747  -9.255
  417   2HG2  THR  56          2HG2      THR  56  -4.862   4.858  -8.478
  418    H    ASP  57           H        ASP  57  -9.766   3.971  -7.268
  419    HA   ASP  57           HA       ASP  57 -10.233   2.999  -4.620
  420   1HB   ASP  57          1HB       ASP  57 -11.683   3.188  -7.198
  421   2HB   ASP  57          2HB       ASP  57 -12.197   1.856  -6.141
  422    HD2  ASP  57           HD       ASP  57 -13.834   5.078  -5.288
  423    H    LYS  58           H        LYS  58  -9.766   1.071  -3.696
  424    HA   LYS  58           HA       LYS  58  -8.979  -0.982  -3.471
  425   1HB   LYS  58          1HB       LYS  58 -11.269  -1.336  -4.572
  426   2HB   LYS  58          2HB       LYS  58 -10.393  -1.683  -6.049
  427   1HG   LYS  58          1HG       LYS  58  -9.026  -3.223  -4.156
  428   2HG   LYS  58          2HG       LYS  58 -10.687  -3.330  -3.607
  429   1HD   LYS  58          1HD       LYS  58 -10.062  -3.730  -6.546
  430   2HD   LYS  58          2HD       LYS  58  -9.774  -5.041  -5.419
  431   1HE   LYS  58          1HE       LYS  58 -11.973  -5.556  -5.807
  432   2HE   LYS  58          2HE       LYS  58 -12.298  -4.292  -4.638
  433   1HZ   LYS  58          1HZ       LYS  58 -13.188  -4.298  -7.145
  434   2HZ   LYS  58          2HZ       LYS  58 -13.051  -2.955  -6.226
  435    H    CYS  59           H        CYS  59  -7.017   0.637  -4.302
  436    HA   CYS  59           HA       CYS  59  -5.844  -0.479  -6.695
  437   1HB   CYS  59          1HB       CYS  59  -4.613   1.386  -6.827
  438   2HB   CYS  59          2HB       CYS  59  -5.843   2.029  -5.756
  439    H    ASN  60           H        ASN  60  -5.212  -0.157  -3.136
  440    HA   ASN  60           HA       ASN  60  -2.921  -1.819  -3.309
  441   1HB   ASN  60          1HB       ASN  60  -2.694  -1.418  -0.962
  442   2HB   ASN  60          2HB       ASN  60  -3.432   0.053  -1.563
  443   1HD2  ASN  60          1HD2      ASN  60  -3.526  -0.912   1.094
  444   2HD2  ASN  60          2HD2      ASN  60  -5.174  -1.231   1.523
  445   1H    HOH  61          1H        HOH  61   3.994 -11.045   2.100
  446   2H    HOH  61          2H        HOH  61   5.294 -11.668   2.561
  447   1H    HOH  62          1H        HOH  62   8.286 -14.624  -8.119
  448   2H    HOH  62          2H        HOH  62   9.065 -13.571  -8.877
  Start of MODEL    9
    1    H    LEU   1           H        LEU   1 -12.212   8.243  -1.024
    2    HA   LEU   1           HA       LEU   1 -11.369   6.166  -2.500
    3   1HB   LEU   1          1HB       LEU   1 -10.259   7.796  -0.327
    4   2HB   LEU   1          2HB       LEU   1  -9.472   6.243  -0.522
    5    HG   LEU   1           HG       LEU   1  -8.319   7.984  -1.774
    6   1HD1  LEU   1          1HD1      LEU   1  -7.740   6.493  -3.316
    7   2HD1  LEU   1          2HD1      LEU   1  -9.098   5.488  -2.753
    8   1HD2  LEU   1          1HD2      LEU   1  -9.386   9.615  -2.828
    9   2HD2  LEU   1          2HD2      LEU   1 -10.125   8.442  -3.944
   10    H    LYS   2           H        LYS   2 -12.463   4.217  -2.422
   11    HA   LYS   2           HA       LYS   2 -12.561   2.905   0.193
   12   1HB   LYS   2          1HB       LYS   2 -14.087   2.315  -2.361
   13   2HB   LYS   2          2HB       LYS   2 -14.250   1.437  -0.854
   14   1HG   LYS   2          1HG       LYS   2 -15.760   2.968  -0.142
   15   2HG   LYS   2          2HG       LYS   2 -14.514   4.199  -0.177
   16   1HD   LYS   2          1HD       LYS   2 -16.211   5.047  -1.616
   17   2HD   LYS   2          2HD       LYS   2 -14.996   4.418  -2.711
   18   1HE   LYS   2          1HE       LYS   2 -16.322   2.632  -3.394
   19   2HE   LYS   2          2HE       LYS   2 -17.119   2.483  -1.841
   20   1HZ   LYS   2          1HZ       LYS   2 -18.768   3.634  -2.695
   21   2HZ   LYS   2          2HZ       LYS   2 -17.807   4.946  -2.846
   22    H    CYS   3           H        CYS   3 -10.774   1.712   0.599
   23    HA   CYS   3           HA       CYS   3  -9.722   0.169  -1.661
   24   1HB   CYS   3          1HB       CYS   3  -8.352   1.732   0.469
   25   2HB   CYS   3          2HB       CYS   3  -7.617   0.213  -0.005
   26    H    LYS   4           H        LYS   4  -8.261  -1.756  -0.494
   27    HA   LYS   4           HA       LYS   4 -10.223  -3.143   1.147
   28   1HB   LYS   4          1HB       LYS   4  -7.876  -4.015  -0.535
   29   2HB   LYS   4          2HB       LYS   4  -8.589  -5.093   0.648
   30   1HG   LYS   4          1HG       LYS   4 -10.705  -3.826  -0.901
   31   2HG   LYS   4          2HG       LYS   4  -9.530  -4.531  -1.992
   32   1HD   LYS   4          1HD       LYS   4  -9.689  -6.630  -0.368
   33   2HD   LYS   4          2HD       LYS   4 -11.206  -5.904   0.125
   34   1HE   LYS   4          1HE       LYS   4 -10.570  -6.309  -2.821
   35   2HE   LYS   4          2HE       LYS   4 -11.221  -7.622  -1.860
   36   1HZ   LYS   4          1HZ       LYS   4 -12.866  -6.171  -3.011
   37   2HZ   LYS   4          2HZ       LYS   4 -13.136  -6.388  -1.415
   38    H    LYS   5           H        LYS   5  -9.706  -4.090   3.183
   39    HA   LYS   5           HA       LYS   5  -7.656  -2.593   4.576
   40   1HB   LYS   5          1HB       LYS   5 -10.084  -4.152   5.320
   41   2HB   LYS   5          2HB       LYS   5  -8.781  -4.110   6.491
   42   1HG   LYS   5          1HG       LYS   5  -9.904  -1.600   5.168
   43   2HG   LYS   5          2HG       LYS   5 -10.506  -2.226   6.690
   44   1HD   LYS   5          1HD       LYS   5  -7.538  -1.921   6.532
   45   2HD   LYS   5          2HD       LYS   5  -8.442  -0.422   6.475
   46   1HE   LYS   5          1HE       LYS   5  -8.853  -2.566   8.613
   47   2HE   LYS   5          2HE       LYS   5  -7.805  -1.176   8.819
   48   1HZ   LYS   5          1HZ       LYS   5 -10.570  -1.303   9.099
   49   2HZ   LYS   5          2HZ       LYS   5  -9.580  -0.036   9.388
   50    H    LEU   6           H        LEU   6  -6.866  -4.380   6.565
   51    HA   LEU   6           HA       LEU   6  -4.707  -5.600   5.493
   52   1HB   LEU   6          1HB       LEU   6  -6.294  -5.946   7.978
   53   2HB   LEU   6          2HB       LEU   6  -5.140  -7.207   7.594
   54    HG   LEU   6           HG       LEU   6  -3.482  -5.171   7.281
   55   1HD1  LEU   6          1HD1      LEU   6  -4.746  -3.826   9.519
   56   2HD1  LEU   6          2HD1      LEU   6  -4.115  -3.163   7.992
   57   1HD2  LEU   6          1HD2      LEU   6  -3.286  -5.309   9.966
   58   2HD2  LEU   6          2HD2      LEU   6  -4.312  -6.731   9.660
   59    H    VAL   7           H        VAL   7  -7.640  -7.479   6.539
   60    HA   VAL   7           HA       VAL   7  -6.864  -9.555   4.670
   61    HB   VAL   7           HB       VAL   7  -9.046  -9.358   6.756
   62   1HG1  VAL   7          1HG1      VAL   7  -9.540 -11.657   6.384
   63   2HG1  VAL   7          2HG1      VAL   7  -9.550 -10.875   4.785
   64   1HG2  VAL   7          1HG2      VAL   7  -6.869  -9.415   7.787
   65   2HG2  VAL   7          2HG2      VAL   7  -7.616 -11.020   7.967
   66    HA   PRO   8           HA       PRO   8  -9.679  -8.200   1.671
   67   1HB   PRO   8          1HB       PRO   8  -9.732 -10.409   0.063
   68   2HB   PRO   8          2HB       PRO   8  -8.465  -9.201  -0.010
   69   1HG   PRO   8          1HG       PRO   8  -8.371 -11.915   1.157
   70   2HG   PRO   8          2HG       PRO   8  -7.041 -10.873   0.694
   71   1HD   PRO   8          1HD       PRO   8  -7.980 -11.376   3.357
   72   2HD   PRO   8          2HD       PRO   8  -6.727 -10.246   2.884
   73    H    LEU   9           H        LEU   9 -11.008  -8.604   3.929
   74    HA   LEU   9           HA       LEU   9 -13.222 -10.310   3.021
   75   1HB   LEU   9          1HB       LEU   9 -11.924  -9.946   5.676
   76   2HB   LEU   9          2HB       LEU   9 -13.660 -10.188   5.644
   77    HG   LEU   9           HG       LEU   9 -11.706 -12.068   4.299
   78   1HD1  LEU   9          1HD1      LEU   9 -11.695 -11.679   6.968
   79   2HD1  LEU   9          2HD1      LEU   9 -12.992 -12.890   6.838
   80   1HD2  LEU   9          1HD2      LEU   9 -13.601 -13.651   4.393
   81   2HD2  LEU   9          2HD2      LEU   9 -14.628 -12.354   5.050
   82    H    PHE  10           H        PHE  10 -12.133  -7.186   4.340
   83    HA   PHE  10           HA       PHE  10 -14.754  -6.120   3.635
   84   1HB   PHE  10          1HB       PHE  10 -13.191  -5.357   6.161
   85   2HB   PHE  10          2HB       PHE  10 -14.854  -4.949   5.793
   86    HD1  PHE  10           1HD      PHE  10 -13.014  -6.828   7.914
   87    HD2  PHE  10           2HD      PHE  10 -16.227  -7.317   5.184
   88    HE1  PHE  10           1HE      PHE  10 -13.792  -8.845   9.190
   89    HE2  PHE  10           2HE      PHE  10 -17.004  -9.334   6.461
   90    HZ   PHE  10           HZ       PHE  10 -15.777 -10.073   8.448
   91    H    SER  11           H        SER  11 -14.696  -3.659   3.510
   92    HA   SER  11           HA       SER  11 -12.007  -2.840   2.729
   93   1HB   SER  11          1HB       SER  11 -13.298  -1.234   1.144
   94   2HB   SER  11          2HB       SER  11 -13.190  -2.924   0.692
   95    HG   SER  11           HG       SER  11 -15.327  -2.816   0.569
   96    H    LYS  12           H        LYS  12 -11.430  -0.594   3.181
   97    HA   LYS  12           HA       LYS  12 -13.296   0.762   4.990
   98   1HB   LYS  12          1HB       LYS  12 -11.420  -0.525   6.175
   99   2HB   LYS  12          2HB       LYS  12 -10.317   0.650   5.488
  100   1HG   LYS  12          1HG       LYS  12 -10.840   1.622   7.568
  101   2HG   LYS  12          2HG       LYS  12 -11.941   2.453   6.487
  102   1HD   LYS  12          1HD       LYS  12 -13.821   1.332   7.296
  103   2HD   LYS  12          2HD       LYS  12 -12.921  -0.114   7.708
  104   1HE   LYS  12          1HE       LYS  12 -11.897   2.052   9.323
  105   2HE   LYS  12          2HE       LYS  12 -13.646   2.086   9.428
  106   1HZ   LYS  12          1HZ       LYS  12 -11.990  -0.300   9.877
  107   2HZ   LYS  12          2HZ       LYS  12 -12.660   0.615  11.051
  108    H    THR  13           H        THR  13 -13.175   3.078   4.953
  109    HA   THR  13           HA       THR  13 -12.021   4.052   2.445
  110    HB   THR  13           HB       THR  13 -14.146   5.114   4.377
  111    HG1  THR  13           1HG      THR  13 -13.937   3.920   1.715
  112   1HG2  THR  13          1HG2      THR  13 -14.417   7.004   3.018
  113   2HG2  THR  13          2HG2      THR  13 -12.651   6.814   2.903
  114    H    CYS  14           H        CYS  14 -10.171   5.151   2.389
  115    HA   CYS  14           HA       CYS  14  -8.791   5.700   4.770
  116   1HB   CYS  14          1HB       CYS  14  -8.156   6.931   2.096
  117   2HB   CYS  14          2HB       CYS  14  -7.062   6.546   3.409
  118    HA   PRO  15           HA       PRO  15 -10.878   9.534   5.430
  119   1HB   PRO  15          1HB       PRO  15  -9.916  10.015   7.942
  120   2HB   PRO  15          2HB       PRO  15 -11.336   9.037   7.631
  121   1HG   PRO  15          1HG       PRO  15  -8.617   8.165   8.394
  122   2HG   PRO  15          2HG       PRO  15 -10.123   7.275   8.493
  123   1HD   PRO  15          1HD       PRO  15  -8.062   6.948   6.525
  124   2HD   PRO  15          2HD       PRO  15  -9.618   6.141   6.558
  125    H    ALA  16           H        ALA  16 -10.342  11.845   6.020
  126    HA   ALA  16           HA       ALA  16  -8.515  12.836   4.333
  127   1HB   ALA  16          1HB       ALA  16  -8.759  14.096   7.056
  128   2HB   ALA  16          2HB       ALA  16  -8.813  14.853   5.447
  129    H    GLY  17           H        GLY  17  -6.316  13.758   4.613
  130   1HA   GLY  17          1HA       GLY  17  -4.224  13.817   5.569
  131   2HA   GLY  17          2HA       GLY  17  -4.723  12.658   6.786
  132    H    LYS  18           H        LYS  18  -5.835  10.612   5.088
  133    HA   LYS  18           HA       LYS  18  -3.425   9.791   3.620
  134   1HB   LYS  18          1HB       LYS  18  -4.325   7.419   4.293
  135   2HB   LYS  18          2HB       LYS  18  -3.331   8.348   5.398
  136   1HG   LYS  18          1HG       LYS  18  -5.473   9.258   6.443
  137   2HG   LYS  18          2HG       LYS  18  -6.379   8.153   5.428
  138   1HD   LYS  18          1HD       LYS  18  -5.932   6.389   6.794
  139   2HD   LYS  18          2HD       LYS  18  -4.214   6.734   6.794
  140   1HE   LYS  18          1HE       LYS  18  -6.255   8.229   8.510
  141   2HE   LYS  18          2HE       LYS  18  -5.295   6.880   9.084
  142   1HZ   LYS  18          1HZ       LYS  18  -3.318   8.143   8.585
  143   2HZ   LYS  18          2HZ       LYS  18  -4.204   9.398   8.031
  144    H    ASN  19           H        ASN  19  -4.028  10.335   1.542
  145    HA   ASN  19           HA       ASN  19  -6.621   9.308   0.708
  146   1HB   ASN  19          1HB       ASN  19  -4.925  11.660  -0.112
  147   2HB   ASN  19          2HB       ASN  19  -5.843  10.884  -1.387
  148   1HD2  ASN  19          1HD2      ASN  19  -5.881  13.142   1.060
  149   2HD2  ASN  19          2HD2      ASN  19  -7.585  13.408   1.223
  150    H    LEU  20           H        LEU  20  -3.728   8.060   0.997
  151    HA   LEU  20           HA       LEU  20  -3.657   6.971  -1.726
  152   1HB   LEU  20          1HB       LEU  20  -1.320   7.821  -0.013
  153   2HB   LEU  20          2HB       LEU  20  -1.172   6.808  -1.436
  154    HG   LEU  20           HG       LEU  20  -2.630   9.346  -1.867
  155   1HD1  LEU  20          1HD1      LEU  20   0.358   9.436  -1.389
  156   2HD1  LEU  20          2HD1      LEU  20  -0.721  10.787  -1.815
  157   1HD2  LEU  20          1HD2      LEU  20  -0.480   7.796  -3.323
  158   2HD2  LEU  20          2HD2      LEU  20  -2.195   7.987  -3.760
  159    H    CYS  21           H        CYS  21  -3.713   4.770  -1.831
  160    HA   CYS  21           HA       CYS  21  -3.832   3.404   0.722
  161   1HB   CYS  21          1HB       CYS  21  -4.457   2.379  -2.054
  162   2HB   CYS  21          2HB       CYS  21  -4.745   1.530  -0.548
  163    H    TYR  22           H        TYR  22  -2.167   2.091   1.446
  164    HA   TYR  22           HA       TYR  22   0.001   1.575  -0.477
  165   1HB   TYR  22          1HB       TYR  22   1.470   1.967   1.391
  166   2HB   TYR  22          2HB       TYR  22   0.202   3.145   1.663
  167    HD1  TYR  22           1HD      TYR  22   1.284  -0.299   2.623
  168    HD2  TYR  22           2HD      TYR  22  -1.017   3.150   3.679
  169    HE1  TYR  22           1HE      TYR  22   0.856  -1.281   4.929
  170    HE2  TYR  22           2HE      TYR  22  -1.438   2.156   5.981
  171    HH   TYR  22           HH       TYR  22  -1.082  -0.958   6.690
  172    H    LYS  23           H        LYS  23   1.092  -0.479  -0.350
  173    HA   LYS  23           HA       LYS  23  -0.256  -2.481   1.294
  174   1HB   LYS  23          1HB       LYS  23  -0.469  -4.013  -0.570
  175   2HB   LYS  23          2HB       LYS  23  -1.350  -2.537  -0.905
  176   1HG   LYS  23          1HG       LYS  23   0.566  -1.698  -2.275
  177   2HG   LYS  23          2HG       LYS  23   1.459  -3.166  -1.931
  178   1HD   LYS  23          1HD       LYS  23  -0.747  -4.347  -2.897
  179   2HD   LYS  23          2HD       LYS  23  -0.983  -2.792  -3.671
  180   1HE   LYS  23          1HE       LYS  23   0.994  -2.974  -4.958
  181   2HE   LYS  23          2HE       LYS  23   1.734  -4.115  -3.853
  182   1HZ   LYS  23          1HZ       LYS  23  -0.468  -5.410  -4.658
  183   2HZ   LYS  23          2HZ       LYS  23  -0.048  -4.608  -6.017
  184    H    MET  24           H        MET  24   1.204  -3.654   2.419
  185    HA   MET  24           HA       MET  24   3.939  -3.561   1.407
  186   1HB   MET  24          1HB       MET  24   2.809  -3.881   4.242
  187   2HB   MET  24          2HB       MET  24   4.515  -4.034   3.871
  188   1HG   MET  24          1HG       MET  24   4.720  -1.733   3.263
  189   2HG   MET  24          2HG       MET  24   2.994  -1.543   3.026
  190   1HE   MET  24          1HE       MET  24   5.369  -2.802   6.205
  191   2HE   MET  24          2HE       MET  24   5.943  -1.508   5.126
  192    H    PHE  25           H        PHE  25   4.897  -5.464   0.799
  193    HA   PHE  25           HA       PHE  25   3.830  -7.931   1.935
  194   1HB   PHE  25          1HB       PHE  25   3.828  -8.870  -0.415
  195   2HB   PHE  25          2HB       PHE  25   2.705  -7.533  -0.262
  196    HD1  PHE  25           1HD      PHE  25   3.275  -5.322  -1.226
  197    HD2  PHE  25           2HD      PHE  25   5.746  -8.717  -1.838
  198    HE1  PHE  25           1HE      PHE  25   4.401  -4.157  -3.143
  199    HE2  PHE  25           2HE      PHE  25   6.872  -7.552  -3.755
  200    HZ   PHE  25           HZ       PHE  25   6.186  -5.286  -4.385
  201    H    MET  26           H        MET  26   5.307  -9.856   1.287
  202    HA   MET  26           HA       MET  26   8.005  -8.929   1.697
  203   1HB   MET  26          1HB       MET  26   6.677 -11.694   1.754
  204   2HB   MET  26          2HB       MET  26   8.385 -11.453   2.062
  205   1HG   MET  26          1HG       MET  26   7.959 -10.171   4.058
  206   2HG   MET  26          2HG       MET  26   6.273  -9.935   3.646
  207   1HE   MET  26          1HE       MET  26   5.970 -10.639   6.193
  208   2HE   MET  26          2HE       MET  26   6.264 -12.278   6.821
  209    H    VAL  27           H        VAL  27   9.817  -9.604   0.379
  210    HA   VAL  27           HA       VAL  27   9.328  -9.531  -2.352
  211    HB   VAL  27           HB       VAL  27  11.408  -8.890  -1.144
  212   1HG1  VAL  27          1HG1      VAL  27  11.693 -10.750   0.358
  213   2HG1  VAL  27          2HG1      VAL  27  11.805 -11.895  -1.001
  214   1HG2  VAL  27          1HG2      VAL  27  12.126  -8.841  -3.259
  215   2HG2  VAL  27          2HG2      VAL  27  12.793 -10.470  -2.995
  216    H    ALA  28           H        ALA  28   8.929 -12.095  -0.080
  217    HA   ALA  28           HA       ALA  28   9.667 -14.375  -1.218
  218   1HB   ALA  28          1HB       ALA  28   7.478 -15.319  -0.358
  219   2HB   ALA  28          2HB       ALA  28   8.376 -14.326   0.815
  220    H    ALA  29           H        ALA  29   6.874 -12.345  -2.296
  221    HA   ALA  29           HA       ALA  29   7.214 -13.290  -4.969
  222   1HB   ALA  29          1HB       ALA  29   5.744 -14.987  -4.942
  223   2HB   ALA  29          2HB       ALA  29   5.419 -14.706  -3.214
  224    HA   PRO  30           HA       PRO  30   5.387  -9.420  -5.587
  225   1HB   PRO  30          1HB       PRO  30   4.534  -9.600  -8.177
  226   2HB   PRO  30          2HB       PRO  30   6.201  -9.287  -7.737
  227   1HG   PRO  30          1HG       PRO  30   4.990 -11.785  -8.753
  228   2HG   PRO  30          2HG       PRO  30   6.679 -11.322  -8.712
  229   1HD   PRO  30          1HD       PRO  30   5.361 -13.157  -6.946
  230   2HD   PRO  30          2HD       PRO  30   7.020 -12.604  -6.835
  231    H    HIS  31           H        HIS  31   3.627 -12.066  -5.072
  232    HA   HIS  31           HA       HIS  31   1.229 -10.437  -4.934
  233   1HB   HIS  31          1HB       HIS  31   1.245 -11.694  -7.124
  234   2HB   HIS  31          2HB       HIS  31   1.207 -13.185  -6.204
  235    HD1  HIS  31           1HD      HIS  31  -0.928 -10.241  -7.178
  236    HD2  HIS  31           2HD      HIS  31  -1.272 -13.795  -4.977
  237    HE1  HIS  31           1HE      HIS  31  -3.421 -10.578  -6.751
  238    H    VAL  32           H        VAL  32   2.577 -10.742  -2.716
  239    HA   VAL  32           HA       VAL  32   1.045 -12.732  -1.269
  240    HB   VAL  32           HB       VAL  32   4.041 -12.720  -1.521
  241   1HG1  VAL  32          1HG1      VAL  32   3.342 -14.552   0.510
  242   2HG1  VAL  32          2HG1      VAL  32   4.306 -13.064   0.667
  243   1HG2  VAL  32          1HG2      VAL  32   3.163 -15.323  -1.312
  244   2HG2  VAL  32          2HG2      VAL  32   1.822 -14.535  -2.177
  245    HA   PRO  33           HA       PRO  33   1.405  -8.752   0.803
  246   1HB   PRO  33          1HB       PRO  33  -1.256  -8.389   1.310
  247   2HB   PRO  33          2HB       PRO  33  -0.453  -7.741  -0.107
  248   1HG   PRO  33          1HG       PRO  33  -2.278 -10.058   0.092
  249   2HG   PRO  33          2HG       PRO  33  -1.812  -9.147  -1.330
  250   1HD   PRO  33          1HD       PRO  33  -0.845 -11.734  -0.558
  251   2HD   PRO  33          2HD       PRO  33  -0.295 -10.773  -1.915
  252    H    VAL  34           H        VAL  34   1.451  -8.190   2.994
  253    HA   VAL  34           HA       VAL  34   0.637 -10.461   4.674
  254    HB   VAL  34           HB       VAL  34   3.088 -10.214   4.369
  255   1HG1  VAL  34          1HG1      VAL  34   2.926  -7.689   6.017
  256   2HG1  VAL  34          2HG1      VAL  34   4.304  -8.346   5.102
  257   1HG2  VAL  34          1HG2      VAL  34   3.649 -10.312   6.781
  258   2HG2  VAL  34          2HG2      VAL  34   2.025  -9.695   7.166
  259    H    LYS  35           H        LYS  35   1.042  -6.899   4.332
  260    HA   LYS  35           HA       LYS  35  -1.246  -6.562   6.069
  261   1HB   LYS  35          1HB       LYS  35   0.765  -6.601   7.576
  262   2HB   LYS  35          2HB       LYS  35   1.374  -5.191   6.733
  263   1HG   LYS  35          1HG       LYS  35  -0.730  -3.948   7.314
  264   2HG   LYS  35          2HG       LYS  35  -1.310  -5.355   8.183
  265   1HD   LYS  35          1HD       LYS  35   1.415  -4.274   8.902
  266   2HD   LYS  35          2HD       LYS  35   0.008  -3.374   9.434
  267   1HE   LYS  35          1HE       LYS  35  -0.880  -5.684  10.315
  268   2HE   LYS  35          2HE       LYS  35   0.773  -6.234  10.125
  269   1HZ   LYS  35          1HZ       LYS  35  -0.299  -4.646  12.150
  270   2HZ   LYS  35          2HZ       LYS  35   1.204  -5.275  12.041
  271    H    ARG  36           H        ARG  36  -2.164  -4.400   5.860
  272    HA   ARG  36           HA       ARG  36  -1.047  -2.646   3.803
  273   1HB   ARG  36          1HB       ARG  36  -3.717  -4.055   3.405
  274   2HB   ARG  36          2HB       ARG  36  -3.056  -2.763   2.375
  275   1HG   ARG  36          1HG       ARG  36  -0.989  -4.283   2.091
  276   2HG   ARG  36          2HG       ARG  36  -1.997  -5.580   2.778
  277   1HD   ARG  36          1HD       ARG  36  -2.991  -3.883   0.477
  278   2HD   ARG  36          2HD       ARG  36  -1.942  -5.288   0.187
  279    HE   ARG  36           HE       ARG  36  -4.282  -5.806   1.876
  280   1HH1  ARG  36          1HH1      ARG  36  -5.716  -7.773  -0.677
  281   2HH1  ARG  36          2HH1      ARG  36  -5.812  -7.303   1.005
  282   1HH2  ARG  36          1HH2      ARG  36  -4.053  -6.892  -2.034
  283   2HH2  ARG  36          2HH2      ARG  36  -2.894  -5.758  -1.375
  284    H    GLY  37           H        GLY  37  -2.453  -0.648   3.529
  285   1HA   GLY  37          1HA       GLY  37  -4.568  -0.077   5.275
  286   2HA   GLY  37          2HA       GLY  37  -3.077   0.415   6.054
  287    H    CYS  38           H        CYS  38  -4.144   2.624   5.822
  288    HA   CYS  38           HA       CYS  38  -3.630   3.672   3.133
  289   1HB   CYS  38          1HB       CYS  38  -5.580   4.680   5.215
  290   2HB   CYS  38          2HB       CYS  38  -5.239   5.465   3.685
  291    H    ILE  39           H        ILE  39  -2.655   5.878   3.093
  292    HA   ILE  39           HA       ILE  39  -1.713   7.027   5.513
  293    HB   ILE  39           HB       ILE  39  -0.222   4.962   5.043
  294   1HG1  ILE  39          1HG1      ILE  39   1.712   7.040   5.432
  295   2HG1  ILE  39          2HG1      ILE  39   0.224   7.519   6.225
  296   1HG2  ILE  39          1HG2      ILE  39   1.705   5.436   3.583
  297   2HG2  ILE  39          2HG2      ILE  39   0.173   5.350   2.681
  298   1HD1  ILE  39          1HD1      ILE  39   1.170   6.230   7.912
  299   2HD1  ILE  39          2HD1      ILE  39   0.242   4.971   7.063
  300    H    ASP  40           H        ASP  40   0.311   8.615   4.563
  301    HA   ASP  40           HA       ASP  40  -1.005  10.003   2.275
  302   1HB   ASP  40          1HB       ASP  40  -1.015  11.096   4.597
  303   2HB   ASP  40          2HB       ASP  40   0.742  11.276   4.399
  304    HD2  ASP  40           HD       ASP  40  -1.376  14.030   2.890
  305    H    VAL  41           H        VAL  41   2.137   9.250   3.902
  306    HA   VAL  41           HA       VAL  41   3.416   9.716   1.298
  307    HB   VAL  41           HB       VAL  41   4.439   9.989   4.126
  308   1HG1  VAL  41          1HG1      VAL  41   6.464   9.414   3.372
  309   2HG1  VAL  41          2HG1      VAL  41   5.897   9.353   1.686
  310   1HG2  VAL  41          1HG2      VAL  41   4.056  12.175   3.893
  311   2HG2  VAL  41          2HG2      VAL  41   4.935  12.217   2.346
  312    H    CYS  42           H        CYS  42   4.486   8.032   0.327
  313    HA   CYS  42           HA       CYS  42   4.266   5.485   1.702
  314   1HB   CYS  42          1HB       CYS  42   3.746   6.236  -0.892
  315   2HB   CYS  42          2HB       CYS  42   5.330   5.501  -1.035
  316    HA   PRO  43           HA       PRO  43   8.556   5.624   2.521
  317   1HB   PRO  43          1HB       PRO  43   8.936   3.046   3.344
  318   2HB   PRO  43          2HB       PRO  43   8.313   4.304   4.392
  319   1HG   PRO  43          1HG       PRO  43   6.857   2.081   3.098
  320   2HG   PRO  43          2HG       PRO  43   6.363   3.073   4.456
  321   1HD   PRO  43          1HD       PRO  43   5.435   3.283   1.750
  322   2HD   PRO  43          2HD       PRO  43   5.031   4.347   3.082
  323    H    LYS  44           H        LYS  44  10.696   4.750   1.924
  324    HA   LYS  44           HA       LYS  44  10.651   4.274  -0.870
  325   1HB   LYS  44          1HB       LYS  44  12.413   5.587   0.137
  326   2HB   LYS  44          2HB       LYS  44  12.882   4.260   1.180
  327   1HG   LYS  44          1HG       LYS  44  14.177   3.345  -0.445
  328   2HG   LYS  44          2HG       LYS  44  12.845   3.345  -1.584
  329   1HD   LYS  44          1HD       LYS  44  13.428   5.416  -2.496
  330   2HD   LYS  44          2HD       LYS  44  14.149   5.995  -1.008
  331   1HE   LYS  44          1HE       LYS  44  15.921   4.046  -1.464
  332   2HE   LYS  44          2HE       LYS  44  15.348   4.185  -3.114
  333   1HZ   LYS  44          1HZ       LYS  44  17.115   5.671  -2.877
  334   2HZ   LYS  44          2HZ       LYS  44  15.782   6.614  -2.876
  335    H    SER  45           H        SER  45  11.072   2.385  -2.043
  336    HA   SER  45           HA       SER  45  10.329   0.021  -0.683
  337   1HB   SER  45          1HB       SER  45  10.925   0.834  -3.502
  338   2HB   SER  45          2HB       SER  45  11.129  -0.866  -3.133
  339    HG   SER  45           HG       SER  45   8.954  -0.351  -3.853
  340    H    SER  46           H        SER  46  11.621  -1.859  -0.268
  341    HA   SER  46           HA       SER  46  14.483  -1.352  -0.526
  342   1HB   SER  46          1HB       SER  46  14.842  -2.534   1.569
  343   2HB   SER  46          2HB       SER  46  13.653  -1.275   1.838
  344    HG   SER  46           HG       SER  46  12.334  -3.534   1.071
  345    H    LEU  47           H        LEU  47  15.648  -3.725  -0.117
  346    HA   LEU  47           HA       LEU  47  14.740  -5.278  -2.342
  347   1HB   LEU  47          1HB       LEU  47  17.078  -5.379  -0.462
  348   2HB   LEU  47          2HB       LEU  47  16.738  -6.722  -1.535
  349    HG   LEU  47           HG       LEU  47  16.964  -3.938  -2.651
  350   1HD1  LEU  47          1HD1      LEU  47  19.373  -4.270  -2.990
  351   2HD1  LEU  47          2HD1      LEU  47  18.948  -4.195  -1.263
  352   1HD2  LEU  47          1HD2      LEU  47  17.049  -6.732  -3.686
  353   2HD2  LEU  47          2HD2      LEU  47  16.303  -5.269  -4.374
  354    H    LEU  48           H        LEU  48  15.254  -5.927   1.199
  355    HA   LEU  48           HA       LEU  48  14.237  -8.457   1.262
  356   1HB   LEU  48          1HB       LEU  48  15.375  -7.366   3.108
  357   2HB   LEU  48          2HB       LEU  48  14.032  -6.263   3.328
  358    HG   LEU  48           HG       LEU  48  12.592  -8.325   3.796
  359   1HD1  LEU  48          1HD1      LEU  48  13.816 -10.313   4.628
  360   2HD1  LEU  48          2HD1      LEU  48  14.022 -10.040   2.881
  361   1HD2  LEU  48          1HD2      LEU  48  14.650  -7.082   5.535
  362   2HD2  LEU  48          2HD2      LEU  48  12.880  -7.159   5.711
  363    H    VAL  49           H        VAL  49  12.366  -5.407   1.926
  364    HA   VAL  49           HA       VAL  49  10.002  -6.867   0.966
  365    HB   VAL  49           HB       VAL  49   8.720  -5.426   2.556
  366   1HG1  VAL  49          1HG1      VAL  49   8.889  -7.600   3.316
  367   2HG1  VAL  49          2HG1      VAL  49  10.665  -7.542   3.427
  368   1HG2  VAL  49          1HG2      VAL  49  11.502  -4.750   3.561
  369   2HG2  VAL  49          2HG2      VAL  49  10.263  -3.628   2.950
  370    H    LYS  50           H        LYS  50   8.349  -5.486  -0.077
  371    HA   LYS  50           HA       LYS  50   9.463  -2.962  -1.058
  372   1HB   LYS  50          1HB       LYS  50   8.760  -5.377  -2.624
  373   2HB   LYS  50          2HB       LYS  50   8.134  -3.867  -3.255
  374   1HG   LYS  50          1HG       LYS  50  10.840  -3.362  -2.441
  375   2HG   LYS  50          2HG       LYS  50  10.855  -4.872  -3.330
  376   1HD   LYS  50          1HD       LYS  50   9.629  -3.779  -5.216
  377   2HD   LYS  50          2HD       LYS  50   9.601  -2.269  -4.327
  378   1HE   LYS  50          1HE       LYS  50  11.793  -1.792  -4.814
  379   2HE   LYS  50          2HE       LYS  50  12.317  -3.442  -4.545
  380   1HZ   LYS  50          1HZ       LYS  50  12.528  -2.865  -6.835
  381   2HZ   LYS  50          2HZ       LYS  50  11.368  -4.007  -6.698
  382    H    TYR  51           H        TYR  51   7.830  -1.403  -1.730
  383    HA   TYR  51           HA       TYR  51   5.135  -2.083  -0.784
  384   1HB   TYR  51          1HB       TYR  51   6.574   0.602  -0.415
  385   2HB   TYR  51          2HB       TYR  51   5.135   0.057   0.422
  386    HD1  TYR  51           1HD      TYR  51   5.923  -2.637   1.354
  387    HD2  TYR  51           2HD      TYR  51   8.163   1.007   1.249
  388    HE1  TYR  51           1HE      TYR  51   7.362  -3.457   3.283
  389    HE2  TYR  51           2HE      TYR  51   9.594   0.174   3.179
  390    HH   TYR  51           HH       TYR  51   8.880  -1.855   5.204
  391    H    VAL  52           H        VAL  52   3.412  -0.908  -1.807
  392    HA   VAL  52           HA       VAL  52   4.226   0.749  -4.072
  393    HB   VAL  52           HB       VAL  52   2.470  -1.705  -4.160
  394   1HG1  VAL  52          1HG1      VAL  52   2.750  -0.408  -6.724
  395   2HG1  VAL  52          2HG1      VAL  52   1.272  -0.864  -5.843
  396   1HG2  VAL  52          1HG2      VAL  52   5.195  -1.044  -5.021
  397   2HG2  VAL  52          2HG2      VAL  52   4.415  -2.628  -4.794
  398    H    CYS  53           H        CYS  53   2.904   2.518  -4.383
  399    HA   CYS  53           HA       CYS  53   0.534   2.599  -2.659
  400   1HB   CYS  53          1HB       CYS  53   2.740   4.529  -3.048
  401   2HB   CYS  53          2HB       CYS  53   1.130   5.222  -3.049
  402    H    CYS  54           H        CYS  54  -1.278   3.926  -3.570
  403    HA   CYS  54           HA       CYS  54  -1.140   4.855  -6.225
  404   1HB   CYS  54          1HB       CYS  54  -3.029   3.093  -6.894
  405   2HB   CYS  54          2HB       CYS  54  -1.328   2.870  -7.253
  406    H    ASN  55           H        ASN  55  -3.108   6.034  -6.732
  407    HA   ASN  55           HA       ASN  55  -4.834   6.273  -4.401
  408   1HB   ASN  55          1HB       ASN  55  -5.446   8.529  -5.524
  409   2HB   ASN  55          2HB       ASN  55  -3.825   8.405  -4.868
  410   1HD2  ASN  55          1HD2      ASN  55  -3.385  10.162  -6.339
  411   2HD2  ASN  55          2HD2      ASN  55  -2.971   9.842  -7.990
  412    H    THR  56           H        THR  56  -5.801   4.178  -5.526
  413    HA   THR  56           HA       THR  56  -8.003   5.070  -7.214
  414    HB   THR  56           HB       THR  56  -7.531   3.126  -8.781
  415    HG1  THR  56           1HG      THR  56  -4.972   3.262  -7.358
  416   1HG2  THR  56          1HG2      THR  56  -5.956   4.273 -10.094
  417   2HG2  THR  56          2HG2      THR  56  -6.479   5.594  -9.020
  418    H    ASP  57           H        ASP  57  -9.761   3.499  -7.291
  419    HA   ASP  57           HA       ASP  57 -10.297   2.444  -4.696
  420   1HB   ASP  57          1HB       ASP  57 -11.608   2.472  -7.379
  421   2HB   ASP  57          2HB       ASP  57 -12.143   1.225  -6.231
  422    HD2  ASP  57           HD       ASP  57 -13.897   4.456  -5.740
  423    H    LYS  58           H        LYS  58  -9.833   0.507  -3.775
  424    HA   LYS  58           HA       LYS  58  -8.888  -1.480  -3.531
  425   1HB   LYS  58          1HB       LYS  58 -11.120  -1.920  -4.776
  426   2HB   LYS  58          2HB       LYS  58 -10.117  -2.293  -6.162
  427   1HG   LYS  58          1HG       LYS  58  -8.805  -3.893  -4.600
  428   2HG   LYS  58          2HG       LYS  58 -10.102  -3.669  -3.444
  429   1HD   LYS  58          1HD       LYS  58 -11.035  -5.464  -4.531
  430   2HD   LYS  58          2HD       LYS  58 -11.590  -4.242  -5.658
  431   1HE   LYS  58          1HE       LYS  58  -9.621  -4.627  -7.108
  432   2HE   LYS  58          2HE       LYS  58  -8.955  -5.762  -5.951
  433   1HZ   LYS  58          1HZ       LYS  58 -10.548  -7.301  -6.448
  434   2HZ   LYS  58          2HZ       LYS  58 -11.633  -6.213  -7.002
  435    H    CYS  59           H        CYS  59  -6.947   0.166  -4.187
  436    HA   CYS  59           HA       CYS  59  -5.623  -0.908  -6.545
  437   1HB   CYS  59          1HB       CYS  59  -4.537   1.044  -6.747
  438   2HB   CYS  59          2HB       CYS  59  -5.887   1.642  -5.803
  439    H    ASN  60           H        ASN  60  -5.185  -0.306  -2.993
  440    HA   ASN  60           HA       ASN  60  -2.760  -1.795  -2.982
  441   1HB   ASN  60          1HB       ASN  60  -2.642  -1.209  -0.651
  442   2HB   ASN  60          2HB       ASN  60  -3.379   0.180  -1.424
  443   1HD2  ASN  60          1HD2      ASN  60  -3.526  -0.826   1.331
  444   2HD2  ASN  60          2HD2      ASN  60  -5.203  -1.036   1.708
  445   1H    HOH  61          1H        HOH  61   4.109 -11.085   2.973
  446   2H    HOH  61          2H        HOH  61   5.494 -11.589   2.632
  447   1H    HOH  62          1H        HOH  62   7.885 -14.509  -8.928
  448   2H    HOH  62          2H        HOH  62   8.954 -13.874  -9.791
  Start of MODEL   10
    1    H    LEU   1           H        LEU   1 -12.821   7.685  -2.532
    2    HA   LEU   1           HA       LEU   1 -10.918   6.571  -2.109
    3   1HB   LEU   1          1HB       LEU   1  -9.656   7.595  -0.289
    4   2HB   LEU   1          2HB       LEU   1 -10.493   8.773  -1.281
    5    HG   LEU   1           HG       LEU   1 -11.471   7.804   1.418
    6   1HD1  LEU   1          1HD1      LEU   1 -10.582   9.727   2.421
    7   2HD1  LEU   1          2HD1      LEU   1  -9.274   9.116   1.379
    8   1HD2  LEU   1          1HD2      LEU   1 -12.855   9.964   1.202
    9   2HD2  LEU   1          2HD2      LEU   1 -12.488   9.858  -0.536
   10    H    LYS   2           H        LYS   2 -12.235   4.499  -1.925
   11    HA   LYS   2           HA       LYS   2 -11.954   3.456   0.809
   12   1HB   LYS   2          1HB       LYS   2 -13.872   2.077   0.462
   13   2HB   LYS   2          2HB       LYS   2 -14.317   3.721   0.052
   14   1HG   LYS   2          1HG       LYS   2 -13.655   3.054  -2.406
   15   2HG   LYS   2          2HG       LYS   2 -13.756   1.403  -1.829
   16   1HD   LYS   2          1HD       LYS   2 -15.991   1.502  -2.210
   17   2HD   LYS   2          2HD       LYS   2 -16.106   2.581  -0.833
   18   1HE   LYS   2          1HE       LYS   2 -16.689   4.301  -2.192
   19   2HE   LYS   2          2HE       LYS   2 -15.188   4.139  -3.082
   20   1HZ   LYS   2          1HZ       LYS   2 -16.168   2.791  -4.616
   21   2HZ   LYS   2          2HZ       LYS   2 -17.349   2.266  -3.618
   22    H    CYS   3           H        CYS   3 -10.601   1.743   1.075
   23    HA   CYS   3           HA       CYS   3  -9.806   0.341  -1.369
   24   1HB   CYS   3          1HB       CYS   3  -8.099   1.681   0.669
   25   2HB   CYS   3          2HB       CYS   3  -7.547   0.137   0.051
   26    H    LYS   4           H        LYS   4  -8.369  -1.731  -0.400
   27    HA   LYS   4           HA       LYS   4 -10.298  -3.081   1.294
   28   1HB   LYS   4          1HB       LYS   4  -8.017  -3.995  -0.460
   29   2HB   LYS   4          2HB       LYS   4  -8.783  -5.078   0.684
   30   1HG   LYS   4          1HG       LYS   4 -10.807  -3.610  -0.838
   31   2HG   LYS   4          2HG       LYS   4  -9.693  -4.414  -1.926
   32   1HD   LYS   4          1HD       LYS   4 -11.069  -6.220  -1.575
   33   2HD   LYS   4          2HD       LYS   4 -10.082  -6.439  -0.144
   34   1HE   LYS   4          1HE       LYS   4 -12.288  -6.507   0.715
   35   2HE   LYS   4          2HE       LYS   4 -11.783  -4.864   1.056
   36   1HZ   LYS   4          1HZ       LYS   4 -12.808  -4.376  -1.213
   37   2HZ   LYS   4          2HZ       LYS   4 -13.582  -5.804  -1.037
   38    H    LYS   5           H        LYS   5  -9.770  -4.094   3.289
   39    HA   LYS   5           HA       LYS   5  -7.593  -2.742   4.647
   40   1HB   LYS   5          1HB       LYS   5 -10.071  -4.207   5.470
   41   2HB   LYS   5          2HB       LYS   5  -8.736  -4.138   6.602
   42   1HG   LYS   5          1HG       LYS   5  -8.874  -1.507   5.656
   43   2HG   LYS   5          2HG       LYS   5 -10.559  -1.983   5.714
   44   1HD   LYS   5          1HD       LYS   5 -10.593  -2.068   8.007
   45   2HD   LYS   5          2HD       LYS   5  -9.021  -2.835   8.103
   46   1HE   LYS   5          1HE       LYS   5  -8.258  -0.354   7.233
   47   2HE   LYS   5          2HE       LYS   5  -9.716   0.081   8.103
   48   1HZ   LYS   5          1HZ       LYS   5  -7.557  -0.051   9.383
   49   2HZ   LYS   5          2HZ       LYS   5  -8.863  -0.761  10.058
   50    H    LEU   6           H        LEU   6  -6.843  -4.584   6.581
   51    HA   LEU   6           HA       LEU   6  -4.804  -5.925   5.474
   52   1HB   LEU   6          1HB       LEU   6  -6.424  -6.287   7.938
   53   2HB   LEU   6          2HB       LEU   6  -5.334  -7.588   7.503
   54    HG   LEU   6           HG       LEU   6  -3.554  -5.664   7.299
   55   1HD1  LEU   6          1HD1      LEU   6  -5.862  -4.281   8.441
   56   2HD1  LEU   6          2HD1      LEU   6  -4.391  -4.121   9.431
   57   1HD2  LEU   6          1HD2      LEU   6  -3.967  -5.997  10.142
   58   2HD2  LEU   6          2HD2      LEU   6  -4.260  -7.523   9.273
   59    H    VAL   7           H        VAL   7  -7.786  -7.729   6.496
   60    HA   VAL   7           HA       VAL   7  -7.148  -9.766   4.559
   61    HB   VAL   7           HB       VAL   7  -9.438  -9.473   6.515
   62   1HG1  VAL   7          1HG1      VAL   7  -8.478 -11.946   5.038
   63   2HG1  VAL   7          2HG1      VAL   7  -9.854 -11.833   6.161
   64   1HG2  VAL   7          1HG2      VAL   7  -8.080 -11.278   7.748
   65   2HG2  VAL   7          2HG2      VAL   7  -6.714 -10.764   6.729
   66    HA   PRO   8           HA       PRO   8  -9.717  -8.070   1.505
   67   1HB   PRO   8          1HB       PRO   8  -9.715 -10.156  -0.260
   68   2HB   PRO   8          2HB       PRO   8  -8.425  -8.973  -0.173
   69   1HG   PRO   8          1HG       PRO   8  -8.447 -11.766   0.796
   70   2HG   PRO   8          2HG       PRO   8  -7.074 -10.722   0.487
   71   1HD   PRO   8          1HD       PRO   8  -8.176 -11.395   3.048
   72   2HD   PRO   8          2HD       PRO   8  -6.878 -10.262   2.731
   73    H    LEU   9           H        LEU   9 -11.192  -8.581   3.635
   74    HA   LEU   9           HA       LEU   9 -13.365 -10.201   2.500
   75   1HB   LEU   9          1HB       LEU   9 -12.229  -9.989   5.239
   76   2HB   LEU   9          2HB       LEU   9 -13.966 -10.171   5.103
   77    HG   LEU   9           HG       LEU   9 -12.064 -12.055   3.707
   78   1HD1  LEU   9          1HD1      LEU   9 -12.103 -11.731   6.451
   79   2HD1  LEU   9          2HD1      LEU   9 -13.234 -13.079   6.181
   80   1HD2  LEU   9          1HD2      LEU   9 -13.874 -13.206   3.088
   81   2HD2  LEU   9          2HD2      LEU   9 -14.633 -13.058   4.691
   82    H    PHE  10           H        PHE  10 -12.330  -7.155   4.025
   83    HA   PHE  10           HA       PHE  10 -14.876  -6.014   3.183
   84   1HB   PHE  10          1HB       PHE  10 -13.524  -5.393   5.863
   85   2HB   PHE  10          2HB       PHE  10 -15.156  -4.972   5.383
   86    HD1  PHE  10           1HD      PHE  10 -13.176  -7.272   7.177
   87    HD2  PHE  10           2HD      PHE  10 -16.760  -6.987   4.923
   88    HE1  PHE  10           1HE      PHE  10 -14.039  -9.352   8.285
   89    HE2  PHE  10           2HE      PHE  10 -17.623  -9.067   6.031
   90    HZ   PHE  10           HZ       PHE  10 -16.252 -10.225   7.699
   91    H    SER  11           H        SER  11 -14.766  -3.523   3.295
   92    HA   SER  11           HA       SER  11 -12.011  -2.686   2.847
   93   1HB   SER  11          1HB       SER  11 -13.068  -1.074   1.096
   94   2HB   SER  11          2HB       SER  11 -12.839  -2.751   0.644
   95    HG   SER  11           HG       SER  11 -15.302  -2.286   1.887
   96    H    LYS  12           H        LYS  12 -11.563  -0.429   3.401
   97    HA   LYS  12           HA       LYS  12 -13.727   0.893   4.864
   98   1HB   LYS  12          1HB       LYS  12 -12.119  -0.439   6.368
   99   2HB   LYS  12          2HB       LYS  12 -10.911   0.759   5.949
  100   1HG   LYS  12          1HG       LYS  12 -12.002   2.477   7.090
  101   2HG   LYS  12          2HG       LYS  12 -13.594   1.793   6.829
  102   1HD   LYS  12          1HD       LYS  12 -13.410   0.298   8.634
  103   2HD   LYS  12          2HD       LYS  12 -11.659   0.258   8.565
  104   1HE   LYS  12          1HE       LYS  12 -11.528   1.893  10.131
  105   2HE   LYS  12          2HE       LYS  12 -12.446   2.981   9.108
  106   1HZ   LYS  12          1HZ       LYS  12 -13.865   2.787  10.818
  107   2HZ   LYS  12          2HZ       LYS  12 -14.387   1.476   9.997
  108    H    THR  13           H        THR  13 -13.519   3.224   4.962
  109    HA   THR  13           HA       THR  13 -11.993   4.223   2.681
  110    HB   THR  13           HB       THR  13 -14.291   5.293   4.392
  111    HG1  THR  13           1HG      THR  13 -15.130   5.152   2.043
  112   1HG2  THR  13          1HG2      THR  13 -12.704   7.139   3.518
  113   2HG2  THR  13          2HG2      THR  13 -13.095   6.561   1.881
  114    H    CYS  14           H        CYS  14 -10.168   5.375   2.835
  115    HA   CYS  14           HA       CYS  14  -8.938   5.641   5.340
  116   1HB   CYS  14          1HB       CYS  14  -8.092   7.217   2.930
  117   2HB   CYS  14          2HB       CYS  14  -7.108   6.523   4.202
  118    HA   PRO  15           HA       PRO  15 -10.669   9.480   6.490
  119   1HB   PRO  15          1HB       PRO  15  -8.980  10.163   8.526
  120   2HB   PRO  15          2HB       PRO  15 -10.318   9.049   8.724
  121   1HG   PRO  15          1HG       PRO  15  -7.426   8.461   8.544
  122   2HG   PRO  15          2HG       PRO  15  -8.717   7.445   9.155
  123   1HD   PRO  15          1HD       PRO  15  -7.406   7.211   6.615
  124   2HD   PRO  15          2HD       PRO  15  -8.773   6.271   7.179
  125    H    ALA  16           H        ALA  16 -10.301  11.838   6.697
  126    HA   ALA  16           HA       ALA  16  -9.084  12.817   4.490
  127   1HB   ALA  16          1HB       ALA  16  -9.105  14.272   7.154
  128   2HB   ALA  16          2HB       ALA  16  -9.285  14.957   5.521
  129    H    GLY  17           H        GLY  17  -7.030  13.658   3.931
  130   1HA   GLY  17          1HA       GLY  17  -4.815  14.243   4.427
  131   2HA   GLY  17          2HA       GLY  17  -4.866  13.260   5.876
  132    H    LYS  18           H        LYS  18  -5.845  10.803   5.007
  133    HA   LYS  18           HA       LYS  18  -3.621   9.932   3.343
  134   1HB   LYS  18          1HB       LYS  18  -5.570   8.143   4.793
  135   2HB   LYS  18          2HB       LYS  18  -3.934   7.791   4.274
  136   1HG   LYS  18          1HG       LYS  18  -4.703   9.807   6.438
  137   2HG   LYS  18          2HG       LYS  18  -4.056   8.205   6.731
  138   1HD   LYS  18          1HD       LYS  18  -1.978   8.838   5.452
  139   2HD   LYS  18          2HD       LYS  18  -2.623  10.453   5.239
  140   1HE   LYS  18          1HE       LYS  18  -1.532  10.937   7.190
  141   2HE   LYS  18          2HE       LYS  18  -2.890  10.151   7.971
  142   1HZ   LYS  18          1HZ       LYS  18  -0.507   9.354   8.425
  143   2HZ   LYS  18          2HZ       LYS  18  -1.699   8.248   8.272
  144    H    ASN  19           H        ASN  19  -4.173  10.423   1.225
  145    HA   ASN  19           HA       ASN  19  -6.733   9.339   0.358
  146   1HB   ASN  19          1HB       ASN  19  -5.055  11.692  -0.492
  147   2HB   ASN  19          2HB       ASN  19  -5.924  10.860  -1.765
  148   1HD2  ASN  19          1HD2      ASN  19  -6.074  13.342   0.319
  149   2HD2  ASN  19          2HD2      ASN  19  -7.783  13.532   0.527
  150    H    LEU  20           H        LEU  20  -3.841   8.137   0.770
  151    HA   LEU  20           HA       LEU  20  -3.687   6.949  -1.906
  152   1HB   LEU  20          1HB       LEU  20  -1.438   8.037  -0.222
  153   2HB   LEU  20          2HB       LEU  20  -1.176   6.846  -1.481
  154    HG   LEU  20           HG       LEU  20  -2.548   9.477  -2.045
  155   1HD1  LEU  20          1HD1      LEU  20   0.356   8.914  -1.659
  156   2HD1  LEU  20          2HD1      LEU  20  -0.122   9.992  -2.993
  157   1HD2  LEU  20          1HD2      LEU  20  -0.963   7.692  -3.903
  158   2HD2  LEU  20          2HD2      LEU  20  -2.722   7.552  -3.666
  159    H    CYS  21           H        CYS  21  -3.665   4.743  -1.914
  160    HA   CYS  21           HA       CYS  21  -3.755   3.494   0.705
  161   1HB   CYS  21          1HB       CYS  21  -4.400   2.337  -2.015
  162   2HB   CYS  21          2HB       CYS  21  -4.649   1.549  -0.470
  163    H    TYR  22           H        TYR  22  -2.229   1.906   1.349
  164    HA   TYR  22           HA       TYR  22  -0.043   1.415  -0.554
  165   1HB   TYR  22          1HB       TYR  22   1.497   1.982   1.198
  166   2HB   TYR  22          2HB       TYR  22   0.217   3.149   1.465
  167    HD1  TYR  22           1HD      TYR  22   1.565  -0.120   2.623
  168    HD2  TYR  22           2HD      TYR  22  -1.027   3.170   3.495
  169    HE1  TYR  22           1HE      TYR  22   1.284  -0.963   5.004
  170    HE2  TYR  22           2HE      TYR  22  -1.299   2.316   5.874
  171    HH   TYR  22           HH       TYR  22  -0.988   0.586   7.208
  172    H    LYS  23           H        LYS  23   1.115  -0.607  -0.228
  173    HA   LYS  23           HA       LYS  23  -0.179  -2.471   1.601
  174   1HB   LYS  23          1HB       LYS  23  -0.542  -4.135  -0.081
  175   2HB   LYS  23          2HB       LYS  23  -1.339  -2.661  -0.594
  176   1HG   LYS  23          1HG       LYS  23   0.656  -2.109  -2.032
  177   2HG   LYS  23          2HG       LYS  23   1.399  -3.622  -1.552
  178   1HD   LYS  23          1HD       LYS  23  -1.285  -4.206  -2.441
  179   2HD   LYS  23          2HD       LYS  23  -0.541  -3.166  -3.640
  180   1HE   LYS  23          1HE       LYS  23   0.507  -5.014  -4.447
  181   2HE   LYS  23          2HE       LYS  23   1.507  -4.983  -3.009
  182   1HZ   LYS  23          1HZ       LYS  23  -1.115  -6.205  -2.808
  183   2HZ   LYS  23          2HZ       LYS  23   0.055  -7.033  -3.591
  184    H    MET  24           H        MET  24   1.326  -3.581   2.737
  185    HA   MET  24           HA       MET  24   4.036  -3.455   1.682
  186   1HB   MET  24          1HB       MET  24   2.887  -3.840   4.497
  187   2HB   MET  24          2HB       MET  24   4.594  -4.035   4.152
  188   1HG   MET  24          1HG       MET  24   4.839  -1.721   3.507
  189   2HG   MET  24          2HG       MET  24   3.107  -1.487   3.392
  190   1HE   MET  24          1HE       MET  24   5.187  -3.057   6.883
  191   2HE   MET  24          2HE       MET  24   5.968  -2.542   5.368
  192    H    PHE  25           H        PHE  25   4.999  -5.304   0.949
  193    HA   PHE  25           HA       PHE  25   4.044  -7.838   2.040
  194   1HB   PHE  25          1HB       PHE  25   3.818  -8.712  -0.243
  195   2HB   PHE  25          2HB       PHE  25   2.932  -7.201  -0.198
  196    HD1  PHE  25           1HD      PHE  25   4.312  -5.076  -0.918
  197    HD2  PHE  25           2HD      PHE  25   5.344  -9.061  -1.947
  198    HE1  PHE  25           1HE      PHE  25   5.663  -4.226  -2.855
  199    HE2  PHE  25           2HE      PHE  25   6.695  -8.211  -3.884
  200    HZ   PHE  25           HZ       PHE  25   6.838  -5.804  -4.315
  201    H    MET  26           H        MET  26   5.572  -9.680   1.476
  202    HA   MET  26           HA       MET  26   8.263  -8.628   1.644
  203   1HB   MET  26          1HB       MET  26   7.051 -11.405   2.133
  204   2HB   MET  26          2HB       MET  26   8.760 -11.061   2.311
  205   1HG   MET  26          1HG       MET  26   8.305  -9.423   4.093
  206   2HG   MET  26          2HG       MET  26   6.577  -9.566   3.840
  207   1HE   MET  26          1HE       MET  26   5.651 -10.112   5.620
  208   2HE   MET  26          2HE       MET  26   5.587 -11.720   6.380
  209    H    VAL  27           H        VAL  27  10.032  -9.602   0.369
  210    HA   VAL  27           HA       VAL  27   9.412  -9.775  -2.334
  211    HB   VAL  27           HB       VAL  27  11.579  -9.129  -1.268
  212   1HG1  VAL  27          1HG1      VAL  27  12.910 -11.620  -1.222
  213   2HG1  VAL  27          2HG1      VAL  27  12.566 -10.540   0.151
  214   1HG2  VAL  27          1HG2      VAL  27  12.359  -9.324  -3.346
  215   2HG2  VAL  27          2HG2      VAL  27  12.663 -11.058  -3.086
  216    H    ALA  28           H        ALA  28   8.996 -12.066   0.206
  217    HA   ALA  28           HA       ALA  28   9.573 -14.487  -0.722
  218   1HB   ALA  28          1HB       ALA  28   6.884 -13.618   0.415
  219   2HB   ALA  28          2HB       ALA  28   7.533 -15.275   0.423
  220    H    ALA  29           H        ALA  29   6.843 -12.420  -1.882
  221    HA   ALA  29           HA       ALA  29   6.913 -13.901  -4.379
  222   1HB   ALA  29          1HB       ALA  29   4.925 -14.340  -2.339
  223   2HB   ALA  29          2HB       ALA  29   4.157 -13.550  -3.736
  224    HA   PRO  30           HA       PRO  30   6.177  -9.904  -5.858
  225   1HB   PRO  30          1HB       PRO  30   5.220 -10.411  -8.366
  226   2HB   PRO  30          2HB       PRO  30   6.924 -10.462  -7.963
  227   1HG   PRO  30          1HG       PRO  30   5.065 -12.710  -8.439
  228   2HG   PRO  30          2HG       PRO  30   6.817 -12.712  -8.458
  229   1HD   PRO  30          1HD       PRO  30   5.122 -13.704  -6.367
  230   2HD   PRO  30          2HD       PRO  30   6.871 -13.600  -6.338
  231    H    HIS  31           H        HIS  31   3.595 -12.123  -5.603
  232    HA   HIS  31           HA       HIS  31   1.829  -9.825  -5.300
  233   1HB   HIS  31          1HB       HIS  31   1.583 -10.813  -7.599
  234   2HB   HIS  31          2HB       HIS  31   1.068 -12.312  -6.853
  235    HD1  HIS  31           1HD      HIS  31  -1.354 -12.317  -7.634
  236    HD2  HIS  31           2HD      HIS  31  -0.270  -8.771  -5.672
  237    HE1  HIS  31           1HE      HIS  31  -3.514 -11.003  -7.286
  238    H    VAL  32           H        VAL  32   2.737 -10.576  -3.043
  239    HA   VAL  32           HA       VAL  32   0.627 -12.165  -1.880
  240    HB   VAL  32           HB       VAL  32   3.527 -13.001  -1.852
  241   1HG1  VAL  32          1HG1      VAL  32   3.330 -13.885   0.186
  242   2HG1  VAL  32          2HG1      VAL  32   1.760 -13.061   0.351
  243   1HG2  VAL  32          1HG2      VAL  32   2.611 -15.176  -2.567
  244   2HG2  VAL  32          2HG2      VAL  32   0.972 -14.482  -2.566
  245    HA   PRO  33           HA       PRO  33   1.844  -8.664   0.618
  246   1HB   PRO  33          1HB       PRO  33  -0.681  -7.849   1.273
  247   2HB   PRO  33          2HB       PRO  33   0.196  -7.233  -0.113
  248   1HG   PRO  33          1HG       PRO  33  -2.040  -9.166  -0.044
  249   2HG   PRO  33          2HG       PRO  33  -1.442  -8.226  -1.397
  250   1HD   PRO  33          1HD       PRO  33  -0.978 -11.014  -0.905
  251   2HD   PRO  33          2HD       PRO  33  -0.287 -10.048  -2.194
  252    H    VAL  34           H        VAL  34   1.626  -8.105   2.924
  253    HA   VAL  34           HA       VAL  34   0.812 -10.540   4.356
  254    HB   VAL  34           HB       VAL  34   3.228 -10.242   4.308
  255   1HG1  VAL  34          1HG1      VAL  34   3.445  -7.872   3.976
  256   2HG1  VAL  34          2HG1      VAL  34   2.638  -7.526   5.524
  257   1HG2  VAL  34          1HG2      VAL  34   2.270  -9.514   7.085
  258   2HG2  VAL  34          2HG2      VAL  34   1.966 -11.109   6.355
  259    H    LYS  35           H        LYS  35   1.053  -6.943   4.359
  260    HA   LYS  35           HA       LYS  35  -1.410  -6.830   5.834
  261   1HB   LYS  35          1HB       LYS  35   0.084  -7.086   7.703
  262   2HB   LYS  35          2HB       LYS  35   1.182  -5.874   7.074
  263   1HG   LYS  35          1HG       LYS  35  -1.452  -4.696   7.210
  264   2HG   LYS  35          2HG       LYS  35  -1.137  -5.485   8.743
  265   1HD   LYS  35          1HD       LYS  35   0.791  -4.167   9.180
  266   2HD   LYS  35          2HD       LYS  35   1.007  -3.743   7.493
  267   1HE   LYS  35          1HE       LYS  35   0.044  -1.762   8.184
  268   2HE   LYS  35          2HE       LYS  35  -1.439  -2.637   7.858
  269   1HZ   LYS  35          1HZ       LYS  35  -1.140  -3.401  10.282
  270   2HZ   LYS  35          2HZ       LYS  35  -0.187  -2.082  10.422
  271    H    ARG  36           H        ARG  36  -2.499  -4.911   5.434
  272    HA   ARG  36           HA       ARG  36  -1.041  -2.907   3.781
  273   1HB   ARG  36          1HB       ARG  36  -3.856  -3.979   3.335
  274   2HB   ARG  36          2HB       ARG  36  -3.066  -2.691   2.394
  275   1HG   ARG  36          1HG       ARG  36  -1.171  -4.465   2.029
  276   2HG   ARG  36          2HG       ARG  36  -2.416  -5.644   2.503
  277   1HD   ARG  36          1HD       ARG  36  -2.841  -3.548   0.343
  278   2HD   ARG  36          2HD       ARG  36  -2.235  -5.183   0.002
  279    HE   ARG  36           HE       ARG  36  -4.964  -4.421   0.774
  280   1HH1  ARG  36          1HH1      ARG  36  -6.007  -7.773   0.424
  281   2HH1  ARG  36          2HH1      ARG  36  -6.529  -6.116   0.632
  282   1HH2  ARG  36          1HH2      ARG  36  -3.743  -8.268   0.290
  283   2HH2  ARG  36          2HH2      ARG  36  -2.559  -6.985   0.397
  284    H    GLY  37           H        GLY  37  -2.459  -0.808   3.607
  285   1HA   GLY  37          1HA       GLY  37  -4.333  -0.237   5.632
  286   2HA   GLY  37          2HA       GLY  37  -2.739   0.242   6.180
  287    H    CYS  38           H        CYS  38  -4.136   2.395   6.046
  288    HA   CYS  38           HA       CYS  38  -3.906   3.462   3.333
  289   1HB   CYS  38          1HB       CYS  38  -5.658   4.178   5.669
  290   2HB   CYS  38          2HB       CYS  38  -5.342   5.344   4.399
  291    H    ILE  39           H        ILE  39  -2.729   5.448   3.021
  292    HA   ILE  39           HA       ILE  39  -1.549   6.750   5.282
  293    HB   ILE  39           HB       ILE  39  -0.177   4.602   4.682
  294   1HG1  ILE  39          1HG1      ILE  39   1.894   6.475   4.959
  295   2HG1  ILE  39          2HG1      ILE  39   0.504   7.236   5.707
  296   1HG2  ILE  39          1HG2      ILE  39   1.626   5.057   3.064
  297   2HG2  ILE  39          2HG2      ILE  39   0.020   5.004   2.298
  298   1HD1  ILE  39          1HD1      ILE  39   2.049   5.560   7.090
  299   2HD1  ILE  39          2HD1      ILE  39   0.287   5.583   7.342
  300    H    ASP  40           H        ASP  40   0.344   8.275   4.071
  301    HA   ASP  40           HA       ASP  40  -1.124   9.501   1.782
  302   1HB   ASP  40          1HB       ASP  40  -0.236  11.673   2.627
  303   2HB   ASP  40          2HB       ASP  40  -1.343  10.883   3.770
  304    HD2  ASP  40           HD       ASP  40   1.114  10.523   6.140
  305    H    VAL  41           H        VAL  41   2.059   8.887   3.368
  306    HA   VAL  41           HA       VAL  41   3.283   9.330   0.732
  307    HB   VAL  41           HB       VAL  41   3.884  10.920   2.576
  308   1HG1  VAL  41          1HG1      VAL  41   5.320  10.195   4.380
  309   2HG1  VAL  41          2HG1      VAL  41   3.822   9.233   4.416
  310   1HG2  VAL  41          1HG2      VAL  41   5.596   9.486   0.751
  311   2HG2  VAL  41          2HG2      VAL  41   5.664  11.190   1.261
  312    H    CYS  42           H        CYS  42   4.726   7.754  -0.063
  313    HA   CYS  42           HA       CYS  42   4.379   5.177   1.223
  314   1HB   CYS  42          1HB       CYS  42   4.323   5.996  -1.426
  315   2HB   CYS  42          2HB       CYS  42   5.889   5.222  -1.278
  316    HA   PRO  43           HA       PRO  43   8.465   5.462   2.752
  317   1HB   PRO  43          1HB       PRO  43   8.771   2.900   3.654
  318   2HB   PRO  43          2HB       PRO  43   7.951   4.148   4.572
  319   1HG   PRO  43          1HG       PRO  43   6.787   1.877   3.080
  320   2HG   PRO  43          2HG       PRO  43   6.050   2.864   4.327
  321   1HD   PRO  43          1HD       PRO  43   5.576   3.031   1.503
  322   2HD   PRO  43          2HD       PRO  43   4.930   4.092   2.739
  323    H    LYS  44           H        LYS  44  10.694   4.727   2.484
  324    HA   LYS  44           HA       LYS  44  11.213   4.344  -0.219
  325   1HB   LYS  44          1HB       LYS  44  12.833   5.384   1.200
  326   2HB   LYS  44          2HB       LYS  44  12.911   3.992   2.260
  327   1HG   LYS  44          1HG       LYS  44  13.899   2.616   0.472
  328   2HG   LYS  44          2HG       LYS  44  13.685   3.908  -0.693
  329   1HD   LYS  44          1HD       LYS  44  15.185   5.362   0.811
  330   2HD   LYS  44          2HD       LYS  44  15.533   3.914   1.734
  331   1HE   LYS  44          1HE       LYS  44  17.053   3.225   0.194
  332   2HE   LYS  44          2HE       LYS  44  15.865   3.324  -1.091
  333   1HZ   LYS  44          1HZ       LYS  44  17.036   5.034  -1.803
  334   2HZ   LYS  44          2HZ       LYS  44  16.485   5.903  -0.535
  335    H    SER  45           H        SER  45  11.604   2.554  -1.506
  336    HA   SER  45           HA       SER  45  10.651   0.092  -0.380
  337   1HB   SER  45          1HB       SER  45  10.993   1.255  -3.087
  338   2HB   SER  45          2HB       SER  45  11.359  -0.457  -3.007
  339    HG   SER  45           HG       SER  45   8.904   0.814  -2.136
  340    H    SER  46           H        SER  46  11.931  -1.695   0.107
  341    HA   SER  46           HA       SER  46  14.771  -1.335  -0.439
  342   1HB   SER  46          1HB       SER  46  15.264  -2.475   1.578
  343   2HB   SER  46          2HB       SER  46  13.907  -1.446   1.994
  344    HG   SER  46           HG       SER  46  14.015  -4.003   2.445
  345    H    LEU  47           H        LEU  47  15.903  -3.721  -0.347
  346    HA   LEU  47           HA       LEU  47  14.754  -5.106  -2.566
  347   1HB   LEU  47          1HB       LEU  47  17.253  -5.334  -0.931
  348   2HB   LEU  47          2HB       LEU  47  16.783  -6.651  -1.986
  349    HG   LEU  47           HG       LEU  47  17.199  -3.791  -2.898
  350   1HD1  LEU  47          1HD1      LEU  47  19.162  -5.584  -2.096
  351   2HD1  LEU  47          2HD1      LEU  47  19.120  -5.753  -3.868
  352   1HD2  LEU  47          1HD2      LEU  47  17.377  -5.908  -4.901
  353   2HD2  LEU  47          2HD2      LEU  47  15.774  -5.816  -4.132
  354    H    LEU  48           H        LEU  48  15.476  -5.930   0.897
  355    HA   LEU  48           HA       LEU  48  14.453  -8.468   0.891
  356   1HB   LEU  48          1HB       LEU  48  15.608  -6.892   2.706
  357   2HB   LEU  48          2HB       LEU  48  13.952  -6.732   3.255
  358    HG   LEU  48           HG       LEU  48  14.611  -9.520   2.771
  359   1HD1  LEU  48          1HD1      LEU  48  16.859  -9.149   3.269
  360   2HD1  LEU  48          2HD1      LEU  48  16.487  -7.917   4.499
  361   1HD2  LEU  48          1HD2      LEU  48  13.154  -9.769   4.430
  362   2HD2  LEU  48          2HD2      LEU  48  14.135  -8.774   5.534
  363    H    VAL  49           H        VAL  49  12.682  -5.392   1.677
  364    HA   VAL  49           HA       VAL  49  10.236  -6.806   0.872
  365    HB   VAL  49           HB       VAL  49   9.070  -5.414   2.577
  366   1HG1  VAL  49          1HG1      VAL  49  10.048  -6.744   4.575
  367   2HG1  VAL  49          2HG1      VAL  49   9.357  -7.647   3.206
  368   1HG2  VAL  49          1HG2      VAL  49  11.912  -4.694   3.331
  369   2HG2  VAL  49          2HG2      VAL  49  10.553  -3.605   2.962
  370    H    LYS  50           H        LYS  50   8.590  -5.441  -0.126
  371    HA   LYS  50           HA       LYS  50   9.610  -2.844  -1.007
  372   1HB   LYS  50          1HB       LYS  50   9.103  -5.221  -2.671
  373   2HB   LYS  50          2HB       LYS  50   8.293  -3.775  -3.238
  374   1HG   LYS  50          1HG       LYS  50  10.961  -3.025  -2.432
  375   2HG   LYS  50          2HG       LYS  50  11.091  -4.453  -3.439
  376   1HD   LYS  50          1HD       LYS  50   9.257  -3.025  -4.892
  377   2HD   LYS  50          2HD       LYS  50  10.140  -1.706  -4.151
  378   1HE   LYS  50          1HE       LYS  50  11.262  -2.187  -6.231
  379   2HE   LYS  50          2HE       LYS  50  12.302  -2.800  -4.961
  380   1HZ   LYS  50          1HZ       LYS  50  10.559  -4.317  -6.747
  381   2HZ   LYS  50          2HZ       LYS  50  12.157  -4.511  -6.474
  382    H    TYR  51           H        TYR  51   7.901  -1.343  -1.662
  383    HA   TYR  51           HA       TYR  51   5.259  -2.163  -0.668
  384   1HB   TYR  51          1HB       TYR  51   6.641   0.574  -0.418
  385   2HB   TYR  51          2HB       TYR  51   5.161   0.089   0.384
  386    HD1  TYR  51           1HD      TYR  51   6.058  -2.667   1.327
  387    HD2  TYR  51           2HD      TYR  51   7.981   1.153   1.448
  388    HE1  TYR  51           1HE      TYR  51   7.404  -3.401   3.355
  389    HE2  TYR  51           2HE      TYR  51   9.321   0.406   3.476
  390    HH   TYR  51           HH       TYR  51   9.445  -2.861   4.449
  391    H    VAL  52           H        VAL  52   3.441  -0.995  -1.614
  392    HA   VAL  52           HA       VAL  52   4.136   0.451  -4.065
  393    HB   VAL  52           HB       VAL  52   2.228  -1.869  -3.759
  394   1HG1  VAL  52          1HG1      VAL  52   2.545  -0.196  -6.261
  395   2HG1  VAL  52          2HG1      VAL  52   1.324  -1.440  -5.903
  396   1HG2  VAL  52          1HG2      VAL  52   3.582  -2.626  -5.824
  397   2HG2  VAL  52          2HG2      VAL  52   4.759  -1.384  -5.334
  398    H    CYS  53           H        CYS  53   2.627   2.086  -4.665
  399    HA   CYS  53           HA       CYS  53   0.480   2.513  -2.732
  400   1HB   CYS  53          1HB       CYS  53   2.709   4.388  -3.423
  401   2HB   CYS  53          2HB       CYS  53   1.120   5.046  -3.086
  402    H    CYS  54           H        CYS  54  -1.267   3.915  -3.656
  403    HA   CYS  54           HA       CYS  54  -1.153   4.726  -6.346
  404   1HB   CYS  54          1HB       CYS  54  -3.171   3.022  -6.858
  405   2HB   CYS  54          2HB       CYS  54  -1.505   2.751  -7.328
  406    H    ASN  55           H        ASN  55  -3.136   5.913  -6.891
  407    HA   ASN  55           HA       ASN  55  -4.746   6.378  -4.510
  408   1HB   ASN  55          1HB       ASN  55  -5.322   8.579  -5.771
  409   2HB   ASN  55          2HB       ASN  55  -3.694   8.441  -5.136
  410   1HD2  ASN  55          1HD2      ASN  55  -3.195  10.069  -6.717
  411   2HD2  ASN  55          2HD2      ASN  55  -2.832   9.631  -8.353
  412    H    THR  56           H        THR  56  -5.842   4.262  -5.455
  413    HA   THR  56           HA       THR  56  -8.077   5.133  -7.106
  414    HB   THR  56           HB       THR  56  -7.739   3.090  -8.579
  415    HG1  THR  56           1HG      THR  56  -5.247   3.204  -7.030
  416   1HG2  THR  56          1HG2      THR  56  -6.569   5.521  -8.944
  417   2HG2  THR  56          2HG2      THR  56  -5.103   4.535  -8.729
  418    H    ASP  57           H        ASP  57  -9.916   3.715  -6.958
  419    HA   ASP  57           HA       ASP  57 -10.316   2.759  -4.300
  420   1HB   ASP  57          1HB       ASP  57 -11.830   2.804  -6.877
  421   2HB   ASP  57          2HB       ASP  57 -12.358   1.641  -5.642
  422    HD2  ASP  57           HD       ASP  57 -13.754   5.080  -5.179
  423    H    LYS  58           H        LYS  58  -9.767   0.861  -3.368
  424    HA   LYS  58           HA       LYS  58  -9.014  -1.202  -3.137
  425   1HB   LYS  58          1HB       LYS  58 -11.060  -1.404  -5.268
  426   2HB   LYS  58          2HB       LYS  58  -9.968  -2.770  -5.153
  427   1HG   LYS  58          1HG       LYS  58 -10.448  -2.872  -2.660
  428   2HG   LYS  58          2HG       LYS  58 -11.636  -1.602  -2.875
  429   1HD   LYS  58          1HD       LYS  58 -11.769  -4.143  -4.538
  430   2HD   LYS  58          2HD       LYS  58 -12.440  -4.100  -2.919
  431   1HE   LYS  58          1HE       LYS  58 -13.196  -1.859  -4.787
  432   2HE   LYS  58          2HE       LYS  58 -13.898  -3.435  -5.097
  433   1HZ   LYS  58          1HZ       LYS  58 -14.030  -2.879  -2.362
  434   2HZ   LYS  58          2HZ       LYS  58 -14.662  -1.618  -3.186
  435    H    CYS  59           H        CYS  59  -7.032   0.342  -3.950
  436    HA   CYS  59           HA       CYS  59  -5.900  -0.836  -6.353
  437   1HB   CYS  59          1HB       CYS  59  -4.709   1.043  -6.620
  438   2HB   CYS  59          2HB       CYS  59  -5.953   1.726  -5.592
  439    H    ASN  60           H        ASN  60  -5.237  -0.277  -2.830
  440    HA   ASN  60           HA       ASN  60  -2.898  -1.875  -2.928
  441   1HB   ASN  60          1HB       ASN  60  -2.672  -1.340  -0.605
  442   2HB   ASN  60          2HB       ASN  60  -3.447   0.075  -1.288
  443   1HD2  ASN  60          1HD2      ASN  60  -3.477  -0.903   1.431
  444   2HD2  ASN  60          2HD2      ASN  60  -5.127  -1.175   1.881
  445   1H    HOH  61          1H        HOH  61   5.936 -11.098   3.240
  446   2H    HOH  61          2H        HOH  61   4.890 -11.232   2.155
  447   1H    HOH  62          1H        HOH  62   4.670 -15.304  -6.546
  448   2H    HOH  62          2H        HOH  62   4.089 -16.353  -7.470
  Start of MODEL   11
    1    H    LEU   1           H        LEU   1 -13.057   7.633  -2.952
    2    HA   LEU   1           HA       LEU   1 -11.100   6.586  -2.173
    3   1HB   LEU   1          1HB       LEU   1 -12.082   8.942  -1.121
    4   2HB   LEU   1          2HB       LEU   1 -11.611   8.045   0.308
    5    HG   LEU   1           HG       LEU   1  -9.392   7.664  -1.170
    6   1HD1  LEU   1          1HD1      LEU   1 -10.591  10.254  -2.162
    7   2HD1  LEU   1          2HD1      LEU   1  -8.849   9.896  -2.234
    8   1HD2  LEU   1          1HD2      LEU   1  -8.394   8.858   0.447
    9   2HD2  LEU   1          2HD2      LEU   1  -9.391  10.301   0.144
   10    H    LYS   2           H        LYS   2 -12.032   4.320  -2.032
   11    HA   LYS   2           HA       LYS   2 -11.937   3.512   0.777
   12   1HB   LYS   2          1HB       LYS   2 -13.814   2.061   0.567
   13   2HB   LYS   2          2HB       LYS   2 -14.320   3.650   0.028
   14   1HG   LYS   2          1HG       LYS   2 -13.490   2.655  -2.362
   15   2HG   LYS   2          2HG       LYS   2 -13.898   1.143  -1.574
   16   1HD   LYS   2          1HD       LYS   2 -16.155   2.284  -0.939
   17   2HD   LYS   2          2HD       LYS   2 -15.725   3.519  -2.106
   18   1HE   LYS   2          1HE       LYS   2 -16.395   2.194  -3.821
   19   2HE   LYS   2          2HE       LYS   2 -15.279   0.936  -3.331
   20   1HZ   LYS   2          1HZ       LYS   2 -18.060   1.293  -2.540
   21   2HZ   LYS   2          2HZ       LYS   2 -17.318  -0.045  -3.112
   22    H    CYS   3           H        CYS   3 -10.637   1.753   1.148
   23    HA   CYS   3           HA       CYS   3  -9.777   0.277  -1.225
   24   1HB   CYS   3          1HB       CYS   3  -8.103   1.773   0.724
   25   2HB   CYS   3          2HB       CYS   3  -7.518   0.199   0.224
   26    H    LYS   4           H        LYS   4  -8.304  -1.715  -0.158
   27    HA   LYS   4           HA       LYS   4 -10.208  -3.027   1.587
   28   1HB   LYS   4          1HB       LYS   4  -8.011  -3.877  -0.248
   29   2HB   LYS   4          2HB       LYS   4  -8.379  -4.923   1.108
   30   1HG   LYS   4          1HG       LYS   4 -10.618  -3.852  -0.641
   31   2HG   LYS   4          2HG       LYS   4  -9.687  -5.244  -1.158
   32   1HD   LYS   4          1HD       LYS   4 -10.235  -6.386   1.023
   33   2HD   LYS   4          2HD       LYS   4 -11.221  -5.010   1.474
   34   1HE   LYS   4          1HE       LYS   4 -12.699  -5.382  -0.480
   35   2HE   LYS   4          2HE       LYS   4 -11.677  -6.692  -1.036
   36   1HZ   LYS   4          1HZ       LYS   4 -12.385  -7.137   1.628
   37   2HZ   LYS   4          2HZ       LYS   4 -13.741  -6.839   0.769
   38    H    LYS   5           H        LYS   5  -9.797  -3.714   3.693
   39    HA   LYS   5           HA       LYS   5  -7.729  -2.249   5.029
   40   1HB   LYS   5          1HB       LYS   5 -10.097  -3.887   5.802
   41   2HB   LYS   5          2HB       LYS   5  -8.795  -3.773   6.970
   42   1HG   LYS   5          1HG       LYS   5  -8.854  -1.231   6.648
   43   2HG   LYS   5          2HG       LYS   5 -10.301  -1.450   5.684
   44   1HD   LYS   5          1HD       LYS   5 -11.533  -1.472   7.585
   45   2HD   LYS   5          2HD       LYS   5 -10.737  -2.959   8.061
   46   1HE   LYS   5          1HE       LYS   5 -10.303  -1.475   9.869
   47   2HE   LYS   5          2HE       LYS   5  -8.809  -1.468   8.953
   48   1HZ   LYS   5          1HZ       LYS   5 -10.942   0.526   8.626
   49   2HZ   LYS   5          2HZ       LYS   5  -9.604   0.747   9.536
   50    H    LEU   6           H        LEU   6  -6.855  -3.961   7.036
   51    HA   LEU   6           HA       LEU   6  -4.681  -5.155   5.922
   52   1HB   LEU   6          1HB       LEU   6  -6.141  -5.396   8.497
   53   2HB   LEU   6          2HB       LEU   6  -4.969  -6.646   8.131
   54    HG   LEU   6           HG       LEU   6  -3.400  -4.568   7.614
   55   1HD1  LEU   6          1HD1      LEU   6  -3.947  -2.557   8.460
   56   2HD1  LEU   6          2HD1      LEU   6  -5.614  -3.161   8.305
   57   1HD2  LEU   6          1HD2      LEU   6  -4.042  -5.479  10.433
   58   2HD2  LEU   6          2HD2      LEU   6  -2.991  -6.332   9.276
   59    H    VAL   7           H        VAL   7  -7.629  -6.943   7.089
   60    HA   VAL   7           HA       VAL   7  -6.818  -9.211   5.493
   61    HB   VAL   7           HB       VAL   7  -9.164  -8.718   7.337
   62   1HG1  VAL   7          1HG1      VAL   7  -9.988 -10.772   6.889
   63   2HG1  VAL   7          2HG1      VAL   7  -9.103 -10.592   5.355
   64   1HG2  VAL   7          1HG2      VAL   7  -6.868  -8.733   8.375
   65   2HG2  VAL   7          2HG2      VAL   7  -7.970  -9.995   8.976
   66    HA   PRO   8           HA       PRO   8  -9.281  -7.982   2.136
   67   1HB   PRO   8          1HB       PRO   8  -9.027 -10.228   0.600
   68   2HB   PRO   8          2HB       PRO   8  -7.830  -8.949   0.632
   69   1HG   PRO   8          1HG       PRO   8  -7.718 -11.625   1.884
   70   2HG   PRO   8          2HG       PRO   8  -6.404 -10.517   1.542
   71   1HD   PRO   8          1HD       PRO   8  -7.610 -11.011   4.097
   72   2HD   PRO   8          2HD       PRO   8  -6.377  -9.821   3.733
   73    H    LEU   9           H        LEU   9 -10.853  -8.371   4.214
   74    HA   LEU   9           HA       LEU   9 -12.838 -10.251   3.135
   75   1HB   LEU   9          1HB       LEU   9 -11.932  -9.671   5.920
   76   2HB   LEU   9          2HB       LEU   9 -13.610 -10.099   5.656
   77    HG   LEU   9           HG       LEU   9 -11.302 -11.803   4.692
   78   1HD1  LEU   9          1HD1      LEU   9 -12.726 -12.890   6.967
   79   2HD1  LEU   9          2HD1      LEU   9 -10.980 -12.652   6.719
   80   1HD2  LEU   9          1HD2      LEU   9 -14.258 -12.017   4.616
   81   2HD2  LEU   9          2HD2      LEU   9 -13.024 -12.654   3.503
   82    H    PHE  10           H        PHE  10 -12.121  -7.030   4.504
   83    HA   PHE  10           HA       PHE  10 -14.630  -6.117   3.348
   84   1HB   PHE  10          1HB       PHE  10 -13.677  -5.215   6.108
   85   2HB   PHE  10          2HB       PHE  10 -15.288  -5.070   5.435
   86    HD1  PHE  10           1HD      PHE  10 -16.849  -6.911   5.533
   87    HD2  PHE  10           2HD      PHE  10 -12.904  -7.350   7.034
   88    HE1  PHE  10           1HE      PHE  10 -17.530  -9.022   6.708
   89    HE2  PHE  10           2HE      PHE  10 -13.585  -9.460   8.209
   90    HZ   PHE  10           HZ       PHE  10 -15.890 -10.271   8.032
   91    H    SER  11           H        SER  11 -14.699  -3.647   3.274
   92    HA   SER  11           HA       SER  11 -11.975  -2.615   3.154
   93   1HB   SER  11          1HB       SER  11 -12.889  -1.193   1.175
   94   2HB   SER  11          2HB       SER  11 -12.485  -2.871   0.869
   95    HG   SER  11           HG       SER  11 -14.853  -3.306   1.356
   96    H    LYS  12           H        LYS  12 -11.818  -0.237   3.479
   97    HA   LYS  12           HA       LYS  12 -14.235   0.989   4.550
   98   1HB   LYS  12          1HB       LYS  12 -12.346  -0.149   6.243
   99   2HB   LYS  12          2HB       LYS  12 -11.892   1.543   6.214
  100   1HG   LYS  12          1HG       LYS  12 -13.605   2.008   7.620
  101   2HG   LYS  12          2HG       LYS  12 -14.740   1.513   6.380
  102   1HD   LYS  12          1HD       LYS  12 -14.351  -0.914   7.166
  103   2HD   LYS  12          2HD       LYS  12 -13.485  -0.244   8.534
  104   1HE   LYS  12          1HE       LYS  12 -16.371   0.457   7.808
  105   2HE   LYS  12          2HE       LYS  12 -15.915  -0.719   9.025
  106   1HZ   LYS  12          1HZ       LYS  12 -14.737   1.913   9.238
  107   2HZ   LYS  12          2HZ       LYS  12 -16.323   1.780   9.602
  108    H    THR  13           H        THR  13 -13.975   3.391   4.776
  109    HA   THR  13           HA       THR  13 -12.426   4.350   2.518
  110    HB   THR  13           HB       THR  13 -14.600   5.459   4.348
  111    HG1  THR  13           1HG      THR  13 -15.653   4.652   2.580
  112   1HG2  THR  13          1HG2      THR  13 -12.599   7.053   3.123
  113   2HG2  THR  13          2HG2      THR  13 -13.961   7.070   1.976
  114    H    CYS  14           H        CYS  14 -10.668   5.685   2.563
  115    HA   CYS  14           HA       CYS  14  -9.283   5.747   5.069
  116   1HB   CYS  14          1HB       CYS  14  -8.381   7.040   2.501
  117   2HB   CYS  14          2HB       CYS  14  -7.403   6.497   3.850
  118    HA   PRO  15           HA       PRO  15 -10.684   9.777   6.014
  119   1HB   PRO  15          1HB       PRO  15  -9.029  10.338   8.116
  120   2HB   PRO  15          2HB       PRO  15 -10.494   9.389   8.276
  121   1HG   PRO  15          1HG       PRO  15  -7.684   8.472   8.267
  122   2HG   PRO  15          2HG       PRO  15  -9.111   7.631   8.839
  123   1HD   PRO  15          1HD       PRO  15  -7.713   7.160   6.379
  124   2HD   PRO  15          2HD       PRO  15  -9.205   6.401   6.899
  125    H    ALA  16           H        ALA  16 -10.052  12.086   6.181
  126    HA   ALA  16           HA       ALA  16  -8.634  12.849   4.010
  127   1HB   ALA  16          1HB       ALA  16  -8.721  14.306   6.683
  128   2HB   ALA  16          2HB       ALA  16  -8.498  15.035   5.074
  129    H    GLY  17           H        GLY  17  -6.458  13.870   3.783
  130   1HA   GLY  17          1HA       GLY  17  -4.231  14.064   4.284
  131   2HA   GLY  17          2HA       GLY  17  -4.456  13.121   5.744
  132    H    LYS  18           H        LYS  18  -5.686  10.773   4.774
  133    HA   LYS  18           HA       LYS  18  -3.442   9.644   3.294
  134   1HB   LYS  18          1HB       LYS  18  -5.626   7.999   4.524
  135   2HB   LYS  18          2HB       LYS  18  -3.933   7.613   4.290
  136   1HG   LYS  18          1HG       LYS  18  -4.943   9.745   6.232
  137   2HG   LYS  18          2HG       LYS  18  -4.561   8.100   6.699
  138   1HD   LYS  18          1HD       LYS  18  -2.286   8.942   5.256
  139   2HD   LYS  18          2HD       LYS  18  -2.747  10.358   6.180
  140   1HE   LYS  18          1HE       LYS  18  -2.944   7.954   7.840
  141   2HE   LYS  18          2HE       LYS  18  -1.347   8.072   7.128
  142   1HZ   LYS  18          1HZ       LYS  18  -1.676  10.552   7.887
  143   2HZ   LYS  18          2HZ       LYS  18  -2.640   9.844   9.000
  144    H    ASN  19           H        ASN  19  -3.874  10.312   1.163
  145    HA   ASN  19           HA       ASN  19  -6.434   9.392   0.129
  146   1HB   ASN  19          1HB       ASN  19  -4.554  11.638  -0.582
  147   2HB   ASN  19          2HB       ASN  19  -5.412  10.890  -1.915
  148   1HD2  ASN  19          1HD2      ASN  19  -5.570  12.975   0.780
  149   2HD2  ASN  19          2HD2      ASN  19  -7.245  13.409   0.706
  150    H    LEU  20           H        LEU  20  -3.672   7.976   0.677
  151    HA   LEU  20           HA       LEU  20  -3.486   6.776  -1.984
  152   1HB   LEU  20          1HB       LEU  20  -1.213   7.826  -0.309
  153   2HB   LEU  20          2HB       LEU  20  -0.982   6.601  -1.540
  154    HG   LEU  20           HG       LEU  20  -1.960   9.437  -1.947
  155   1HD1  LEU  20          1HD1      LEU  20   0.103   9.970  -2.693
  156   2HD1  LEU  20          2HD1      LEU  20   0.589   8.610  -1.653
  157   1HD2  LEU  20          1HD2      LEU  20  -3.103   8.664  -3.700
  158   2HD2  LEU  20          2HD2      LEU  20  -1.516   8.392  -4.460
  159    H    CYS  21           H        CYS  21  -3.506   4.566  -1.949
  160    HA   CYS  21           HA       CYS  21  -3.690   3.379   0.692
  161   1HB   CYS  21          1HB       CYS  21  -4.254   2.127  -2.002
  162   2HB   CYS  21          2HB       CYS  21  -4.627   1.448  -0.430
  163    H    TYR  22           H        TYR  22  -2.062   2.070   1.517
  164    HA   TYR  22           HA       TYR  22   0.171   1.496  -0.312
  165   1HB   TYR  22          1HB       TYR  22   1.553   1.918   1.604
  166   2HB   TYR  22          2HB       TYR  22   0.254   3.066   1.853
  167    HD1  TYR  22           1HD      TYR  22   1.710  -0.127   2.976
  168    HD2  TYR  22           2HD      TYR  22  -1.364   2.772   3.648
  169    HE1  TYR  22           1HE      TYR  22   1.228  -1.155   5.251
  170    HE2  TYR  22           2HE      TYR  22  -1.835   1.735   5.921
  171    HH   TYR  22           HH       TYR  22  -1.356   0.158   7.311
  172    H    LYS  23           H        LYS  23   1.216  -0.569  -0.166
  173    HA   LYS  23           HA       LYS  23  -0.175  -2.554   1.460
  174   1HB   LYS  23          1HB       LYS  23  -0.471  -4.067  -0.373
  175   2HB   LYS  23          2HB       LYS  23  -1.230  -2.544  -0.792
  176   1HG   LYS  23          1HG       LYS  23   1.056  -1.953  -1.937
  177   2HG   LYS  23          2HG       LYS  23   1.405  -3.666  -1.812
  178   1HD   LYS  23          1HD       LYS  23  -1.191  -3.657  -2.846
  179   2HD   LYS  23          2HD       LYS  23  -0.474  -2.255  -3.616
  180   1HE   LYS  23          1HE       LYS  23   1.354  -3.586  -4.528
  181   2HE   LYS  23          2HE       LYS  23   0.902  -4.978  -3.566
  182   1HZ   LYS  23          1HZ       LYS  23  -1.077  -3.856  -5.370
  183   2HZ   LYS  23          2HZ       LYS  23   0.132  -4.751  -6.007
  184    H    MET  24           H        MET  24   1.272  -3.725   2.601
  185    HA   MET  24           HA       MET  24   4.027  -3.569   1.687
  186   1HB   MET  24          1HB       MET  24   2.757  -4.247   4.397
  187   2HB   MET  24          2HB       MET  24   4.483  -4.326   4.106
  188   1HG   MET  24          1HG       MET  24   4.545  -1.914   3.557
  189   2HG   MET  24          2HG       MET  24   2.802  -1.806   3.697
  190   1HE   MET  24          1HE       MET  24   3.817   0.289   6.332
  191   2HE   MET  24          2HE       MET  24   5.469  -0.375   6.333
  192    H    PHE  25           H        PHE  25   5.004  -5.353   0.827
  193    HA   PHE  25           HA       PHE  25   3.977  -7.965   1.638
  194   1HB   PHE  25          1HB       PHE  25   4.114  -8.600  -0.823
  195   2HB   PHE  25          2HB       PHE  25   2.907  -7.365  -0.524
  196    HD1  PHE  25           1HD      PHE  25   2.925  -5.431  -1.802
  197    HD2  PHE  25           2HD      PHE  25   6.485  -7.722  -1.510
  198    HE1  PHE  25           1HE      PHE  25   4.019  -3.948  -3.506
  199    HE2  PHE  25           2HE      PHE  25   7.579  -6.240  -3.215
  200    HZ   PHE  25           HZ       PHE  25   6.333  -4.371  -4.192
  201    H    MET  26           H        MET  26   5.519  -9.768   0.933
  202    HA   MET  26           HA       MET  26   8.210  -8.761   1.323
  203   1HB   MET  26          1HB       MET  26   6.869 -11.492   1.659
  204   2HB   MET  26          2HB       MET  26   8.610 -11.314   1.752
  205   1HG   MET  26          1HG       MET  26   8.483 -10.536   3.885
  206   2HG   MET  26          2HG       MET  26   7.353  -9.281   3.417
  207   1HE   MET  26          1HE       MET  26   7.686 -10.731   5.963
  208   2HE   MET  26          2HE       MET  26   6.166 -11.464   6.529
  209    H    VAL  27           H        VAL  27  10.019  -9.667   0.054
  210    HA   VAL  27           HA       VAL  27   9.489  -9.668  -2.679
  211    HB   VAL  27           HB       VAL  27  11.612  -9.062  -1.530
  212   1HG1  VAL  27          1HG1      VAL  27  13.225 -11.012  -1.157
  213   2HG1  VAL  27          2HG1      VAL  27  11.945 -10.782   0.058
  214   1HG2  VAL  27          1HG2      VAL  27  12.525 -11.097  -3.463
  215   2HG2  VAL  27          2HG2      VAL  27  11.213 -10.047  -4.053
  216    H    ALA  28           H        ALA  28   8.979 -12.098  -0.299
  217    HA   ALA  28           HA       ALA  28   9.616 -14.461  -1.340
  218   1HB   ALA  28          1HB       ALA  28   8.179 -15.174   0.241
  219   2HB   ALA  28          2HB       ALA  28   7.756 -13.466   0.512
  220    H    ALA  29           H        ALA  29   6.985 -12.296  -2.521
  221    HA   ALA  29           HA       ALA  29   7.181 -13.534  -5.108
  222   1HB   ALA  29          1HB       ALA  29   5.610 -15.100  -4.475
  223   2HB   ALA  29          2HB       ALA  29   4.897 -14.044  -3.233
  224    HA   PRO  30           HA       PRO  30   6.068  -9.480  -6.124
  225   1HB   PRO  30          1HB       PRO  30   5.294  -9.767  -8.729
  226   2HB   PRO  30          2HB       PRO  30   6.972  -9.680  -8.232
  227   1HG   PRO  30          1HG       PRO  30   5.414 -12.041  -9.088
  228   2HG   PRO  30          2HG       PRO  30   7.153 -11.847  -9.001
  229   1HD   PRO  30          1HD       PRO  30   5.491 -13.277  -7.152
  230   2HD   PRO  30          2HD       PRO  30   7.212 -12.984  -7.004
  231    H    HIS  31           H        HIS  31   3.828 -11.893  -5.798
  232    HA   HIS  31           HA       HIS  31   1.761  -9.864  -5.627
  233   1HB   HIS  31          1HB       HIS  31   1.861 -11.207  -7.924
  234   2HB   HIS  31          2HB       HIS  31   1.023 -12.425  -6.984
  235    HD1  HIS  31           1HD      HIS  31  -1.337 -12.242  -7.844
  236    HD2  HIS  31           2HD      HIS  31   0.296  -8.514  -6.831
  237    HE1  HIS  31           1HE      HIS  31  -3.235 -10.549  -8.055
  238    H    VAL  32           H        VAL  32   2.646 -10.428  -3.343
  239    HA   VAL  32           HA       VAL  32   0.768 -12.280  -2.202
  240    HB   VAL  32           HB       VAL  32   3.744 -12.771  -2.134
  241   1HG1  VAL  32          1HG1      VAL  32   2.770 -14.746  -0.569
  242   2HG1  VAL  32          2HG1      VAL  32   3.404 -13.210   0.069
  243   1HG2  VAL  32          1HG2      VAL  32   1.347 -14.388  -3.030
  244   2HG2  VAL  32          2HG2      VAL  32   2.755 -13.871  -3.988
  245    HA   PRO  33           HA       PRO  33   1.586  -8.633   0.272
  246   1HB   PRO  33          1HB       PRO  33  -1.021  -8.003   0.794
  247   2HB   PRO  33          2HB       PRO  33  -0.126  -7.334  -0.556
  248   1HG   PRO  33          1HG       PRO  33  -2.213  -9.428  -0.571
  249   2HG   PRO  33          2HG       PRO  33  -1.621  -8.458  -1.905
  250   1HD   PRO  33          1HD       PRO  33  -0.977 -11.199  -1.357
  251   2HD   PRO  33          2HD       PRO  33  -0.297 -10.196  -2.623
  252    H    VAL  34           H        VAL  34   1.659  -8.269   2.504
  253    HA   VAL  34           HA       VAL  34   0.741 -10.655   3.946
  254    HB   VAL  34           HB       VAL  34   3.147 -10.346   3.920
  255   1HG1  VAL  34          1HG1      VAL  34   3.674  -8.131   3.604
  256   2HG1  VAL  34          2HG1      VAL  34   2.434  -7.555   4.744
  257   1HG2  VAL  34          1HG2      VAL  34   2.346  -9.524   6.699
  258   2HG2  VAL  34          2HG2      VAL  34   1.761 -11.066   6.029
  259    H    LYS  35           H        LYS  35   0.711  -7.094   3.745
  260    HA   LYS  35           HA       LYS  35  -1.640  -7.057   5.386
  261   1HB   LYS  35          1HB       LYS  35   0.978  -6.423   6.537
  262   2HB   LYS  35          2HB       LYS  35  -0.159  -5.098   6.683
  263   1HG   LYS  35          1HG       LYS  35  -1.858  -6.703   7.638
  264   2HG   LYS  35          2HG       LYS  35  -0.663  -7.982   7.557
  265   1HD   LYS  35          1HD       LYS  35   0.797  -6.123   8.912
  266   2HD   LYS  35          2HD       LYS  35  -0.807  -5.628   9.415
  267   1HE   LYS  35          1HE       LYS  35  -1.133  -7.510  10.694
  268   2HE   LYS  35          2HE       LYS  35  -0.389  -8.568   9.512
  269   1HZ   LYS  35          1HZ       LYS  35   0.742  -7.553  11.813
  270   2HZ   LYS  35          2HZ       LYS  35   1.444  -8.518  10.699
  271    H    ARG  36           H        ARG  36  -2.373  -4.647   5.580
  272    HA   ARG  36           HA       ARG  36  -1.350  -2.855   3.538
  273   1HB   ARG  36          1HB       ARG  36  -4.066  -4.178   3.160
  274   2HB   ARG  36          2HB       ARG  36  -3.424  -2.829   2.193
  275   1HG   ARG  36          1HG       ARG  36  -1.444  -4.298   1.615
  276   2HG   ARG  36          2HG       ARG  36  -2.290  -5.647   2.410
  277   1HD   ARG  36          1HD       ARG  36  -3.432  -3.989   0.125
  278   2HD   ARG  36          2HD       ARG  36  -2.654  -5.575  -0.070
  279    HE   ARG  36           HE       ARG  36  -5.322  -5.026   1.008
  280   1HH1  ARG  36          1HH1      ARG  36  -5.885  -8.479   1.457
  281   2HH1  ARG  36          2HH1      ARG  36  -6.618  -6.891   1.436
  282   1HH2  ARG  36          1HH2      ARG  36  -3.612  -8.713   1.056
  283   2HH2  ARG  36          2HH2      ARG  36  -2.630  -7.302   0.732
  284    H    GLY  37           H        GLY  37  -2.715  -0.810   3.435
  285   1HA   GLY  37          1HA       GLY  37  -4.731  -0.306   5.328
  286   2HA   GLY  37          2HA       GLY  37  -3.187   0.139   6.028
  287    H    CYS  38           H        CYS  38  -4.697   2.269   5.811
  288    HA   CYS  38           HA       CYS  38  -4.265   3.448   3.185
  289   1HB   CYS  38          1HB       CYS  38  -5.963   4.289   5.538
  290   2HB   CYS  38          2HB       CYS  38  -5.705   5.300   4.129
  291    H    ILE  39           H        ILE  39  -3.021   5.404   2.961
  292    HA   ILE  39           HA       ILE  39  -1.816   6.550   5.306
  293    HB   ILE  39           HB       ILE  39  -0.501   4.416   4.461
  294   1HG1  ILE  39          1HG1      ILE  39   1.624   6.079   5.042
  295   2HG1  ILE  39          2HG1      ILE  39   0.273   6.941   5.751
  296   1HG2  ILE  39          1HG2      ILE  39   1.368   5.108   2.965
  297   2HG2  ILE  39          2HG2      ILE  39  -0.222   5.062   2.166
  298   1HD1  ILE  39          1HD1      ILE  39   0.310   3.988   6.228
  299   2HD1  ILE  39          2HD1      ILE  39   1.589   4.931   7.030
  300    H    ASP  40           H        ASP  40  -0.030   8.227   4.318
  301    HA   ASP  40           HA       ASP  40  -1.497   9.636   2.139
  302   1HB   ASP  40          1HB       ASP  40  -0.501  11.693   3.100
  303   2HB   ASP  40          2HB       ASP  40  -1.523  10.830   4.270
  304    HD2  ASP  40           HD       ASP  40   1.228   9.945   6.224
  305    H    VAL  41           H        VAL  41   1.717   8.674   3.442
  306    HA   VAL  41           HA       VAL  41   2.777   9.167   0.748
  307    HB   VAL  41           HB       VAL  41   3.465  10.866   2.465
  308   1HG1  VAL  41          1HG1      VAL  41   3.793   8.699   4.132
  309   2HG1  VAL  41          2HG1      VAL  41   5.468   9.077   3.665
  310   1HG2  VAL  41          1HG2      VAL  41   5.769  10.927   1.751
  311   2HG2  VAL  41          2HG2      VAL  41   5.745   9.189   1.367
  312    H    CYS  42           H        CYS  42   4.559   7.713   0.130
  313    HA   CYS  42           HA       CYS  42   4.183   5.129   1.421
  314   1HB   CYS  42          1HB       CYS  42   4.167   5.866  -1.239
  315   2HB   CYS  42          2HB       CYS  42   5.777   5.203  -1.037
  316    HA   PRO  43           HA       PRO  43   8.199   5.580   3.086
  317   1HB   PRO  43          1HB       PRO  43   8.573   3.042   4.026
  318   2HB   PRO  43          2HB       PRO  43   7.672   4.264   4.900
  319   1HG   PRO  43          1HG       PRO  43   6.654   1.934   3.392
  320   2HG   PRO  43          2HG       PRO  43   5.834   2.903   4.601
  321   1HD   PRO  43          1HD       PRO  43   5.457   3.023   1.760
  322   2HD   PRO  43          2HD       PRO  43   4.725   4.070   2.959
  323    H    LYS  44           H        LYS  44  10.446   4.436   3.120
  324    HA   LYS  44           HA       LYS  44  11.148   4.268   0.386
  325   1HB   LYS  44          1HB       LYS  44  12.609   5.200   2.153
  326   2HB   LYS  44          2HB       LYS  44  12.761   3.609   2.869
  327   1HG   LYS  44          1HG       LYS  44  14.671   3.664   1.520
  328   2HG   LYS  44          2HG       LYS  44  13.535   2.871   0.446
  329   1HD   LYS  44          1HD       LYS  44  13.280   5.765   0.182
  330   2HD   LYS  44          2HD       LYS  44  14.957   5.300  -0.019
  331   1HE   LYS  44          1HE       LYS  44  13.809   3.362  -1.544
  332   2HE   LYS  44          2HE       LYS  44  12.572   4.593  -1.706
  333   1HZ   LYS  44          1HZ       LYS  44  15.430   5.019  -2.243
  334   2HZ   LYS  44          2HZ       LYS  44  14.286   4.779  -3.383
  335    H    SER  45           H        SER  45  11.896   2.458  -0.828
  336    HA   SER  45           HA       SER  45  10.767  -0.019   0.182
  337   1HB   SER  45          1HB       SER  45  11.169   1.175  -2.533
  338   2HB   SER  45          2HB       SER  45  11.354  -0.565  -2.426
  339    HG   SER  45           HG       SER  45   9.076   0.676  -1.201
  340    H    SER  46           H        SER  46  12.073  -1.804   0.602
  341    HA   SER  46           HA       SER  46  14.904  -1.387   0.056
  342   1HB   SER  46          1HB       SER  46  15.405  -2.670   1.999
  343   2HB   SER  46          2HB       SER  46  14.080  -1.628   2.476
  344    HG   SER  46           HG       SER  46  14.145  -4.435   2.140
  345    H    LEU  47           H        LEU  47  16.102  -3.699  -0.063
  346    HA   LEU  47           HA       LEU  47  15.020  -4.972  -2.348
  347   1HB   LEU  47          1HB       LEU  47  17.435  -5.301  -0.619
  348   2HB   LEU  47          2HB       LEU  47  16.999  -6.595  -1.718
  349    HG   LEU  47           HG       LEU  47  17.404  -3.729  -2.606
  350   1HD1  LEU  47          1HD1      LEU  47  19.413  -5.106  -1.530
  351   2HD1  LEU  47          2HD1      LEU  47  19.465  -5.807  -3.165
  352   1HD2  LEU  47          1HD2      LEU  47  17.824  -5.938  -4.503
  353   2HD2  LEU  47          2HD2      LEU  47  16.151  -5.774  -3.917
  354    H    LEU  48           H        LEU  48  15.342  -5.854   1.141
  355    HA   LEU  48           HA       LEU  48  14.375  -8.437   0.929
  356   1HB   LEU  48          1HB       LEU  48  15.402  -6.984   2.894
  357   2HB   LEU  48          2HB       LEU  48  13.714  -6.763   3.307
  358    HG   LEU  48           HG       LEU  48  13.647  -9.405   3.085
  359   1HD1  LEU  48          1HD1      LEU  48  16.025  -9.993   4.278
  360   2HD1  LEU  48          2HD1      LEU  48  15.664 -10.230   2.552
  361   1HD2  LEU  48          1HD2      LEU  48  13.147  -7.998   5.090
  362   2HD2  LEU  48          2HD2      LEU  48  13.890  -9.572   5.461
  363    H    VAL  49           H        VAL  49  12.483  -5.540   2.055
  364    HA   VAL  49           HA       VAL  49  10.134  -6.838   0.854
  365    HB   VAL  49           HB       VAL  49   8.817  -5.713   2.562
  366   1HG1  VAL  49          1HG1      VAL  49   9.152  -7.716   3.524
  367   2HG1  VAL  49          2HG1      VAL  49  10.892  -7.710   3.147
  368   1HG2  VAL  49          1HG2      VAL  49  11.335  -4.289   3.042
  369   2HG2  VAL  49          2HG2      VAL  49   9.662  -3.828   3.438
  370    H    LYS  50           H        LYS  50   8.539  -5.397  -0.139
  371    HA   LYS  50           HA       LYS  50   9.631  -2.765  -0.809
  372   1HB   LYS  50          1HB       LYS  50   9.292  -5.028  -2.605
  373   2HB   LYS  50          2HB       LYS  50   8.320  -3.663  -3.119
  374   1HG   LYS  50          1HG       LYS  50  10.159  -2.335  -3.567
  375   2HG   LYS  50          2HG       LYS  50  11.091  -2.980  -2.231
  376   1HD   LYS  50          1HD       LYS  50  11.243  -5.180  -3.614
  377   2HD   LYS  50          2HD       LYS  50  10.647  -4.240  -4.967
  378   1HE   LYS  50          1HE       LYS  50  12.572  -2.581  -4.500
  379   2HE   LYS  50          2HE       LYS  50  13.216  -3.775  -3.391
  380   1HZ   LYS  50          1HZ       LYS  50  14.164  -4.048  -5.547
  381   2HZ   LYS  50          2HZ       LYS  50  13.232  -5.351  -5.228
  382    H    TYR  51           H        TYR  51   7.958  -1.214  -1.510
  383    HA   TYR  51           HA       TYR  51   5.283  -2.022  -0.590
  384   1HB   TYR  51          1HB       TYR  51   6.696   0.697  -0.294
  385   2HB   TYR  51          2HB       TYR  51   5.186   0.233   0.466
  386    HD1  TYR  51           1HD      TYR  51   8.040   1.221   1.574
  387    HD2  TYR  51           2HD      TYR  51   5.963  -2.517   1.458
  388    HE1  TYR  51           1HE      TYR  51   9.310   0.443   3.634
  389    HE2  TYR  51           2HE      TYR  51   7.240  -3.282   3.518
  390    HH   TYR  51           HH       TYR  51   8.787  -2.816   4.950
  391    H    VAL  52           H        VAL  52   3.518  -1.171  -1.744
  392    HA   VAL  52           HA       VAL  52   4.240   0.477  -4.063
  393    HB   VAL  52           HB       VAL  52   2.603  -2.045  -3.926
  394   1HG1  VAL  52          1HG1      VAL  52   2.426  -1.043  -6.549
  395   2HG1  VAL  52          2HG1      VAL  52   1.112  -1.207  -5.360
  396   1HG2  VAL  52          1HG2      VAL  52   4.766  -1.160  -5.863
  397   2HG2  VAL  52          2HG2      VAL  52   5.042  -2.177  -4.429
  398    H    CYS  53           H        CYS  53   2.939   2.244  -4.387
  399    HA   CYS  53           HA       CYS  53   0.540   2.360  -2.707
  400   1HB   CYS  53          1HB       CYS  53   2.685   4.404  -3.168
  401   2HB   CYS  53          2HB       CYS  53   1.044   4.928  -2.845
  402    H    CYS  54           H        CYS  54  -1.279   3.522  -3.686
  403    HA   CYS  54           HA       CYS  54  -0.971   4.432  -6.390
  404   1HB   CYS  54          1HB       CYS  54  -3.083   2.833  -6.879
  405   2HB   CYS  54          2HB       CYS  54  -1.428   2.451  -7.310
  406    H    ASN  55           H        ASN  55  -3.195   5.332  -7.153
  407    HA   ASN  55           HA       ASN  55  -4.683   6.166  -4.787
  408   1HB   ASN  55          1HB       ASN  55  -5.165   8.299  -6.080
  409   2HB   ASN  55          2HB       ASN  55  -3.470   8.093  -5.684
  410   1HD2  ASN  55          1HD2      ASN  55  -5.637   8.816  -8.070
  411   2HD2  ASN  55          2HD2      ASN  55  -4.677   8.541  -9.485
  412    H    THR  56           H        THR  56  -5.789   3.975  -5.595
  413    HA   THR  56           HA       THR  56  -8.040   4.761  -7.263
  414    HB   THR  56           HB       THR  56  -7.715   2.611  -8.611
  415    HG1  THR  56           1HG      THR  56  -5.019   2.894  -7.522
  416   1HG2  THR  56          1HG2      THR  56  -6.922   4.771  -9.598
  417   2HG2  THR  56          2HG2      THR  56  -5.386   4.600  -8.715
  418    H    ASP  57           H        ASP  57  -9.836   3.219  -7.102
  419    HA   ASP  57           HA       ASP  57 -10.256   2.470  -4.373
  420   1HB   ASP  57          1HB       ASP  57 -11.730   2.384  -6.947
  421   2HB   ASP  57          2HB       ASP  57 -12.205   1.153  -5.757
  422    HD2  ASP  57           HD       ASP  57 -13.902   4.413  -5.211
  423    H    LYS  58           H        LYS  58  -9.896   0.583  -3.295
  424    HA   LYS  58           HA       LYS  58  -8.969  -1.395  -2.908
  425   1HB   LYS  58          1HB       LYS  58 -11.298  -1.738  -4.309
  426   2HB   LYS  58          2HB       LYS  58 -10.184  -2.693  -5.267
  427   1HG   LYS  58          1HG       LYS  58  -9.610  -3.232  -2.496
  428   2HG   LYS  58          2HG       LYS  58 -11.349  -3.330  -2.697
  429   1HD   LYS  58          1HD       LYS  58 -10.755  -5.505  -3.285
  430   2HD   LYS  58          2HD       LYS  58 -10.728  -4.748  -4.866
  431   1HE   LYS  58          1HE       LYS  58  -8.183  -4.229  -4.241
  432   2HE   LYS  58          2HE       LYS  58  -8.398  -5.549  -3.109
  433   1HZ   LYS  58          1HZ       LYS  58  -8.319  -6.981  -4.765
  434   2HZ   LYS  58          2HZ       LYS  58  -9.456  -6.200  -5.638
  435    H    CYS  59           H        CYS  59  -7.069   0.173  -3.962
  436    HA   CYS  59           HA       CYS  59  -5.951  -1.176  -6.264
  437   1HB   CYS  59          1HB       CYS  59  -4.761   0.686  -6.652
  438   2HB   CYS  59          2HB       CYS  59  -6.004   1.421  -5.658
  439    H    ASN  60           H        ASN  60  -5.237  -0.438  -2.787
  440    HA   ASN  60           HA       ASN  60  -2.882  -2.014  -2.842
  441   1HB   ASN  60          1HB       ASN  60  -2.652  -1.394  -0.529
  442   2HB   ASN  60          2HB       ASN  60  -3.393  -0.001  -1.291
  443   1HD2  ASN  60          1HD2      ASN  60  -3.449  -0.916   1.481
  444   2HD2  ASN  60          2HD2      ASN  60  -5.111  -1.101   1.932
  445   1H    HOH  61          1H        HOH  61   4.261 -10.441   1.774
  446   2H    HOH  61          2H        HOH  61   5.455 -11.347   1.988
  447   1H    HOH  62          1H        HOH  62   4.224 -14.655  -7.822
  448   2H    HOH  62          2H        HOH  62   4.492 -15.576  -6.651
  Start of MODEL   12
    1    H    LEU   1           H        LEU   1 -12.613   6.688  -3.084
    2    HA   LEU   1           HA       LEU   1 -10.701   6.905  -1.960
    3   1HB   LEU   1          1HB       LEU   1 -12.319   8.912  -0.449
    4   2HB   LEU   1          2HB       LEU   1 -10.809   8.349   0.240
    5    HG   LEU   1           HG       LEU   1 -10.305  10.344  -0.909
    6   1HD1  LEU   1          1HD1      LEU   1  -9.014   8.026  -1.491
    7   2HD1  LEU   1          2HD1      LEU   1  -9.420   8.606  -3.124
    8   1HD2  LEU   1          1HD2      LEU   1 -10.996   9.851  -3.632
    9   2HD2  LEU   1          2HD2      LEU   1 -12.442   9.581  -2.629
   10    H    LYS   2           H        LYS   2 -11.439   4.564  -1.783
   11    HA   LYS   2           HA       LYS   2 -11.373   3.870   1.028
   12   1HB   LYS   2          1HB       LYS   2 -13.281   2.400   0.938
   13   2HB   LYS   2          2HB       LYS   2 -13.783   4.022   0.505
   14   1HG   LYS   2          1HG       LYS   2 -12.913   2.472  -1.849
   15   2HG   LYS   2          2HG       LYS   2 -14.227   1.686  -0.997
   16   1HD   LYS   2          1HD       LYS   2 -14.393   4.657  -1.578
   17   2HD   LYS   2          2HD       LYS   2 -14.752   3.508  -2.852
   18   1HE   LYS   2          1HE       LYS   2 -16.218   2.435  -0.774
   19   2HE   LYS   2          2HE       LYS   2 -16.299   4.141  -0.379
   20   1HZ   LYS   2          1HZ       LYS   2 -17.995   3.159  -1.983
   21   2HZ   LYS   2          2HZ       LYS   2 -17.340   4.609  -2.352
   22    H    CYS   3           H        CYS   3 -10.245   1.959   1.406
   23    HA   CYS   3           HA       CYS   3  -9.382   0.555  -1.015
   24   1HB   CYS   3          1HB       CYS   3  -7.535   0.742   1.319
   25   2HB   CYS   3          2HB       CYS   3  -7.179   0.517  -0.382
   26    H    LYS   4           H        LYS   4  -8.308  -1.688  -0.182
   27    HA   LYS   4           HA       LYS   4 -10.301  -2.819   1.633
   28   1HB   LYS   4          1HB       LYS   4  -8.657  -3.909  -0.633
   29   2HB   LYS   4          2HB       LYS   4  -9.236  -4.998   0.612
   30   1HG   LYS   4          1HG       LYS   4 -11.357  -3.157  -0.249
   31   2HG   LYS   4          2HG       LYS   4 -10.698  -4.040  -1.612
   32   1HD   LYS   4          1HD       LYS   4 -11.005  -6.191  -0.293
   33   2HD   LYS   4          2HD       LYS   4 -11.795  -5.261   0.964
   34   1HE   LYS   4          1HE       LYS   4 -13.575  -6.116  -0.393
   35   2HE   LYS   4          2HE       LYS   4 -13.435  -4.426  -0.835
   36   1HZ   LYS   4          1HZ       LYS   4 -12.096  -6.585  -2.307
   37   2HZ   LYS   4          2HZ       LYS   4 -13.554  -5.978  -2.722
   38    H    LYS   5           H        LYS   5  -9.699  -4.057   3.458
   39    HA   LYS   5           HA       LYS   5  -7.220  -3.227   4.607
   40   1HB   LYS   5          1HB       LYS   5  -9.380  -5.105   5.611
   41   2HB   LYS   5          2HB       LYS   5  -8.017  -4.544   6.557
   42   1HG   LYS   5          1HG       LYS   5  -9.818  -2.530   5.178
   43   2HG   LYS   5          2HG       LYS   5 -10.325  -3.256   6.690
   44   1HD   LYS   5          1HD       LYS   5  -7.519  -2.311   6.751
   45   2HD   LYS   5          2HD       LYS   5  -8.664  -1.024   6.430
   46   1HE   LYS   5          1HE       LYS   5  -8.797  -0.981   8.735
   47   2HE   LYS   5          2HE       LYS   5  -9.997  -2.228   8.459
   48   1HZ   LYS   5          1HZ       LYS   5  -8.537  -3.856   9.063
   49   2HZ   LYS   5          2HZ       LYS   5  -7.198  -2.987   8.715
   50    H    LEU   6           H        LEU   6  -6.412  -5.512   6.055
   51    HA   LEU   6           HA       LEU   6  -4.595  -6.649   4.402
   52   1HB   LEU   6          1HB       LEU   6  -5.839  -7.397   6.993
   53   2HB   LEU   6          2HB       LEU   6  -4.922  -8.640   6.166
   54    HG   LEU   6           HG       LEU   6  -3.034  -6.865   6.023
   55   1HD1  LEU   6          1HD1      LEU   6  -3.033  -5.060   7.496
   56   2HD1  LEU   6          2HD1      LEU   6  -4.676  -5.042   6.812
   57   1HD2  LEU   6          1HD2      LEU   6  -3.831  -8.730   8.100
   58   2HD2  LEU   6          2HD2      LEU   6  -2.222  -8.396   7.415
   59    H    VAL   7           H        VAL   7  -7.653  -8.317   5.459
   60    HA   VAL   7           HA       VAL   7  -7.396 -10.047   3.140
   61    HB   VAL   7           HB       VAL   7  -9.281 -10.040   5.505
   62   1HG1  VAL   7          1HG1      VAL   7  -8.916 -12.410   3.703
   63   2HG1  VAL   7          2HG1      VAL   7 -10.302 -11.951   4.720
   64   1HG2  VAL   7          1HG2      VAL   7  -7.358 -12.255   5.128
   65   2HG2  VAL   7          2HG2      VAL   7  -6.628 -10.678   5.514
   66    HA   PRO   8           HA       PRO   8 -10.288  -7.713   0.912
   67   1HB   PRO   8          1HB       PRO   8 -10.772  -9.455  -1.138
   68   2HB   PRO   8          2HB       PRO   8  -9.382  -8.389  -1.094
   69   1HG   PRO   8          1HG       PRO   8  -9.501 -11.301  -0.600
   70   2HG   PRO   8          2HG       PRO   8  -8.107 -10.308  -0.978
   71   1HD   PRO   8          1HD       PRO   8  -8.827 -11.348   1.597
   72   2HD   PRO   8          2HD       PRO   8  -7.500 -10.260   1.239
   73    H    LEU   9           H        LEU   9 -11.443  -8.466   3.152
   74    HA   LEU   9           HA       LEU   9 -13.914  -9.723   2.178
   75   1HB   LEU   9          1HB       LEU   9 -12.312 -10.106   4.650
   76   2HB   LEU   9          2HB       LEU   9 -14.056 -10.121   4.824
   77    HG   LEU   9           HG       LEU   9 -12.495 -11.905   2.935
   78   1HD1  LEU   9          1HD1      LEU   9 -13.019 -12.117   5.788
   79   2HD1  LEU   9          2HD1      LEU   9 -13.689 -13.494   4.881
   80   1HD2  LEU   9          1HD2      LEU   9 -15.313 -11.281   3.164
   81   2HD2  LEU   9          2HD2      LEU   9 -14.454 -12.256   1.948
   82    H    PHE  10           H        PHE  10 -12.360  -7.122   4.074
   83    HA   PHE  10           HA       PHE  10 -14.935  -5.725   3.989
   84   1HB   PHE  10          1HB       PHE  10 -12.827  -5.617   6.222
   85   2HB   PHE  10          2HB       PHE  10 -14.430  -4.912   6.279
   86    HD1  PHE  10           1HD      PHE  10 -12.489  -7.639   7.280
   87    HD2  PHE  10           2HD      PHE  10 -16.401  -6.667   5.954
   88    HE1  PHE  10           1HE      PHE  10 -13.372  -9.732   8.348
   89    HE2  PHE  10           2HE      PHE  10 -17.284  -8.760   7.022
   90    HZ   PHE  10           HZ       PHE  10 -15.758 -10.268   8.206
   91    H    SER  11           H        SER  11 -14.802  -3.420   3.753
   92    HA   SER  11           HA       SER  11 -12.114  -2.520   3.062
   93   1HB   SER  11          1HB       SER  11 -13.325  -0.975   1.394
   94   2HB   SER  11          2HB       SER  11 -13.231  -2.673   0.972
   95    HG   SER  11           HG       SER  11 -15.498  -1.969   2.493
   96    H    LYS  12           H        LYS  12 -11.707  -0.191   3.450
   97    HA   LYS  12           HA       LYS  12 -13.703   1.093   5.153
   98   1HB   LYS  12          1HB       LYS  12 -11.425  -0.163   6.187
   99   2HB   LYS  12          2HB       LYS  12 -11.000   1.536   6.141
  100   1HG   LYS  12          1HG       LYS  12 -13.759   0.951   7.128
  101   2HG   LYS  12          2HG       LYS  12 -12.465   0.364   8.154
  102   1HD   LYS  12          1HD       LYS  12 -11.428   2.726   7.971
  103   2HD   LYS  12          2HD       LYS  12 -12.938   3.233   7.241
  104   1HE   LYS  12          1HE       LYS  12 -13.537   3.662   9.421
  105   2HE   LYS  12          2HE       LYS  12 -13.938   1.956   9.431
  106   1HZ   LYS  12          1HZ       LYS  12 -12.537   2.459  11.263
  107   2HZ   LYS  12          2HZ       LYS  12 -11.680   1.532  10.227
  108    H    THR  13           H        THR  13 -13.337   3.466   5.338
  109    HA   THR  13           HA       THR  13 -12.169   4.443   2.834
  110    HB   THR  13           HB       THR  13 -14.288   5.434   4.790
  111    HG1  THR  13           1HG      THR  13 -14.924   4.022   3.048
  112   1HG2  THR  13          1HG2      THR  13 -13.494   7.561   4.259
  113   2HG2  THR  13          2HG2      THR  13 -12.625   6.982   2.817
  114    H    CYS  14           H        CYS  14 -10.581   6.003   2.730
  115    HA   CYS  14           HA       CYS  14  -9.112   6.298   5.217
  116   1HB   CYS  14          1HB       CYS  14  -8.129   7.284   2.564
  117   2HB   CYS  14          2HB       CYS  14  -7.217   6.731   3.955
  118    HA   PRO  15           HA       PRO  15 -10.885  10.339   5.351
  119   1HB   PRO  15          1HB       PRO  15 -10.069  10.981   7.879
  120   2HB   PRO  15          2HB       PRO  15 -11.547  10.102   7.544
  121   1HG   PRO  15          1HG       PRO  15  -8.983   9.081   8.603
  122   2HG   PRO  15          2HG       PRO  15 -10.569   8.336   8.660
  123   1HD   PRO  15          1HD       PRO  15  -8.409   7.643   6.904
  124   2HD   PRO  15          2HD       PRO  15 -10.030   6.979   6.884
  125    H    ALA  16           H        ALA  16 -10.089  12.644   6.072
  126    HA   ALA  16           HA       ALA  16  -8.149  13.384   4.350
  127   1HB   ALA  16          1HB       ALA  16  -8.167  15.448   5.468
  128   2HB   ALA  16          2HB       ALA  16  -9.737  14.741   5.919
  129    H    GLY  17           H        GLY  17  -5.874  13.747   4.419
  130   1HA   GLY  17          1HA       GLY  17  -3.797  13.699   5.513
  131   2HA   GLY  17          2HA       GLY  17  -4.447  12.612   6.724
  132    H    LYS  18           H        LYS  18  -5.801  10.741   4.964
  133    HA   LYS  18           HA       LYS  18  -3.536   9.669   3.439
  134   1HB   LYS  18          1HB       LYS  18  -4.450   7.379   4.257
  135   2HB   LYS  18          2HB       LYS  18  -3.398   8.314   5.301
  136   1HG   LYS  18          1HG       LYS  18  -5.562   9.333   6.313
  137   2HG   LYS  18          2HG       LYS  18  -6.431   8.073   5.459
  138   1HD   LYS  18          1HD       LYS  18  -6.041   6.770   7.285
  139   2HD   LYS  18          2HD       LYS  18  -4.398   6.628   6.692
  140   1HE   LYS  18          1HE       LYS  18  -4.984   9.109   8.260
  141   2HE   LYS  18          2HE       LYS  18  -5.045   7.613   9.170
  142   1HZ   LYS  18          1HZ       LYS  18  -2.860   7.690   9.206
  143   2HZ   LYS  18          2HZ       LYS  18  -2.813   7.454   7.591
  144    H    ASN  19           H        ASN  19  -4.138   9.789   1.342
  145    HA   ASN  19           HA       ASN  19  -6.891   9.007   0.782
  146   1HB   ASN  19          1HB       ASN  19  -5.206  11.281  -0.254
  147   2HB   ASN  19          2HB       ASN  19  -6.253  10.494  -1.418
  148   1HD2  ASN  19          1HD2      ASN  19  -7.656  12.151  -1.679
  149   2HD2  ASN  19          2HD2      ASN  19  -8.760  12.711  -0.466
  150    H    LEU  20           H        LEU  20  -3.733   8.032   0.710
  151    HA   LEU  20           HA       LEU  20  -4.033   6.699  -1.892
  152   1HB   LEU  20          1HB       LEU  20  -1.475   7.512  -0.506
  153   2HB   LEU  20          2HB       LEU  20  -1.599   6.664  -2.034
  154    HG   LEU  20           HG       LEU  20  -3.131   8.944  -2.454
  155   1HD1  LEU  20          1HD1      LEU  20  -0.694  10.241  -1.514
  156   2HD1  LEU  20          2HD1      LEU  20  -2.400  10.699  -1.293
  157   1HD2  LEU  20          1HD2      LEU  20  -0.620   7.789  -3.375
  158   2HD2  LEU  20          2HD2      LEU  20  -1.900   8.629  -4.282
  159    H    CYS  21           H        CYS  21  -4.074   4.499  -1.879
  160    HA   CYS  21           HA       CYS  21  -4.032   3.238   0.693
  161   1HB   CYS  21          1HB       CYS  21  -4.286   1.768  -1.911
  162   2HB   CYS  21          2HB       CYS  21  -4.960   1.371  -0.344
  163    H    TYR  22           H        TYR  22  -2.455   1.723   1.416
  164    HA   TYR  22           HA       TYR  22  -0.080   1.509  -0.309
  165   1HB   TYR  22          1HB       TYR  22   1.217   1.990   1.648
  166   2HB   TYR  22          2HB       TYR  22  -0.180   3.016   1.907
  167    HD1  TYR  22           1HD      TYR  22  -1.542   2.751   3.822
  168    HD2  TYR  22           2HD      TYR  22   1.263  -0.309   2.786
  169    HE1  TYR  22           1HE      TYR  22  -1.968   1.598   6.047
  170    HE2  TYR  22           2HE      TYR  22   0.828  -1.452   5.015
  171    HH   TYR  22           HH       TYR  22   0.051  -0.865   7.215
  172    H    LYS  23           H        LYS  23   1.085  -0.482  -0.228
  173    HA   LYS  23           HA       LYS  23  -0.194  -2.608   1.316
  174   1HB   LYS  23          1HB       LYS  23  -0.552  -4.008  -0.494
  175   2HB   LYS  23          2HB       LYS  23  -1.045  -2.449  -1.122
  176   1HG   LYS  23          1HG       LYS  23   1.186  -2.154  -2.191
  177   2HG   LYS  23          2HG       LYS  23   1.719  -3.686  -1.529
  178   1HD   LYS  23          1HD       LYS  23   0.746  -4.839  -3.224
  179   2HD   LYS  23          2HD       LYS  23  -0.803  -4.075  -2.927
  180   1HE   LYS  23          1HE       LYS  23  -0.553  -2.885  -4.841
  181   2HE   LYS  23          2HE       LYS  23   0.819  -2.061  -4.128
  182   1HZ   LYS  23          1HZ       LYS  23   2.198  -3.918  -4.877
  183   2HZ   LYS  23          2HZ       LYS  23   0.908  -4.590  -5.621
  184    H    MET  24           H        MET  24   1.304  -3.668   2.495
  185    HA   MET  24           HA       MET  24   4.055  -3.429   1.556
  186   1HB   MET  24          1HB       MET  24   2.840  -3.760   4.350
  187   2HB   MET  24          2HB       MET  24   4.561  -3.913   4.055
  188   1HG   MET  24          1HG       MET  24   4.265  -1.540   2.863
  189   2HG   MET  24          2HG       MET  24   2.814  -1.449   3.842
  190   1HE   MET  24          1HE       MET  24   3.891  -0.310   7.071
  191   2HE   MET  24          2HE       MET  24   2.677  -0.532   5.788
  192    H    PHE  25           H        PHE  25   5.051  -5.277   0.872
  193    HA   PHE  25           HA       PHE  25   4.250  -7.789   2.097
  194   1HB   PHE  25          1HB       PHE  25   3.927  -8.782  -0.164
  195   2HB   PHE  25          2HB       PHE  25   2.862  -7.400   0.005
  196    HD1  PHE  25           1HD      PHE  25   2.971  -5.615  -1.513
  197    HD2  PHE  25           2HD      PHE  25   6.132  -8.445  -1.405
  198    HE1  PHE  25           1HE      PHE  25   3.941  -4.611  -3.599
  199    HE2  PHE  25           2HE      PHE  25   7.101  -7.441  -3.491
  200    HZ   PHE  25           HZ       PHE  25   5.995  -5.536  -4.563
  201    H    MET  26           H        MET  26   5.782  -9.607   1.412
  202    HA   MET  26           HA       MET  26   8.433  -8.473   1.371
  203   1HB   MET  26          1HB       MET  26   7.291 -11.269   1.881
  204   2HB   MET  26          2HB       MET  26   9.018 -10.978   1.813
  205   1HG   MET  26          1HG       MET  26   9.002  -9.621   3.767
  206   2HG   MET  26          2HG       MET  26   7.288  -9.278   3.636
  207   1HE   MET  26          1HE       MET  26   5.512 -12.107   5.291
  208   2HE   MET  26          2HE       MET  26   5.648 -10.339   5.136
  209    H    VAL  27           H        VAL  27  10.077  -9.080  -0.159
  210    HA   VAL  27           HA       VAL  27   9.187  -9.329  -2.781
  211    HB   VAL  27           HB       VAL  27  11.324  -8.342  -1.985
  212   1HG1  VAL  27          1HG1      VAL  27  12.565 -11.074  -1.959
  213   2HG1  VAL  27          2HG1      VAL  27  13.104  -9.566  -1.181
  214   1HG2  VAL  27          1HG2      VAL  27  11.738  -8.464  -4.176
  215   2HG2  VAL  27          2HG2      VAL  27  12.613  -9.982  -3.860
  216    H    ALA  28           H        ALA  28   9.416 -11.670  -0.265
  217    HA   ALA  28           HA       ALA  28  10.260 -13.965  -1.299
  218   1HB   ALA  28          1HB       ALA  28   8.327 -13.122   0.663
  219   2HB   ALA  28          2HB       ALA  28   7.694 -14.546  -0.198
  220    H    ALA  29           H        ALA  29   7.163 -12.318  -2.155
  221    HA   ALA  29           HA       ALA  29   7.203 -13.707  -4.687
  222   1HB   ALA  29          1HB       ALA  29   5.923 -15.367  -3.714
  223   2HB   ALA  29          2HB       ALA  29   5.238 -14.273  -2.488
  224    HA   PRO  30           HA       PRO  30   5.501  -9.901  -5.836
  225   1HB   PRO  30          1HB       PRO  30   4.387 -10.503  -8.258
  226   2HB   PRO  30          2HB       PRO  30   6.101 -10.210  -8.037
  227   1HG   PRO  30          1HG       PRO  30   4.699 -12.779  -8.453
  228   2HG   PRO  30          2HG       PRO  30   6.401 -12.412  -8.654
  229   1HD   PRO  30          1HD       PRO  30   5.196 -13.816  -6.463
  230   2HD   PRO  30          2HD       PRO  30   6.878 -13.347  -6.609
  231    H    HIS  31           H        HIS  31   3.627 -12.449  -4.920
  232    HA   HIS  31           HA       HIS  31   1.388 -10.629  -4.627
  233   1HB   HIS  31          1HB       HIS  31   1.330 -12.278  -6.754
  234   2HB   HIS  31          2HB       HIS  31   0.695 -13.377  -5.546
  235    HD1  HIS  31           1HD      HIS  31  -0.056  -9.646  -5.577
  236    HD2  HIS  31           2HD      HIS  31  -1.954 -13.299  -6.381
  237    HE1  HIS  31           1HE      HIS  31  -2.528  -9.109  -5.912
  238    H    VAL  32           H        VAL  32   2.535 -10.767  -2.446
  239    HA   VAL  32           HA       VAL  32   1.133 -12.709  -0.867
  240    HB   VAL  32           HB       VAL  32   4.139 -12.772  -1.144
  241   1HG1  VAL  32          1HG1      VAL  32   4.371 -13.420   0.977
  242   2HG1  VAL  32          2HG1      VAL  32   2.650 -13.056   1.250
  243   1HG2  VAL  32          1HG2      VAL  32   1.916 -14.762  -1.624
  244   2HG2  VAL  32          2HG2      VAL  32   3.191 -14.217  -2.740
  245    HA   PRO  33           HA       PRO  33   1.729  -8.681   1.036
  246   1HB   PRO  33          1HB       PRO  33  -0.878  -8.253   1.735
  247   2HB   PRO  33          2HB       PRO  33  -0.180  -7.673   0.236
  248   1HG   PRO  33          1HG       PRO  33  -2.017  -9.949   0.667
  249   2HG   PRO  33          2HG       PRO  33  -1.652  -9.100  -0.822
  250   1HD   PRO  33          1HD       PRO  33  -0.665 -11.673  -0.026
  251   2HD   PRO  33          2HD       PRO  33  -0.210 -10.774  -1.459
  252    H    VAL  34           H        VAL  34   1.826  -7.980   3.217
  253    HA   VAL  34           HA       VAL  34   1.277 -10.243   5.013
  254    HB   VAL  34           HB       VAL  34   3.655  -9.846   4.674
  255   1HG1  VAL  34          1HG1      VAL  34   2.984  -7.019   5.521
  256   2HG1  VAL  34          2HG1      VAL  34   4.634  -7.681   5.604
  257   1HG2  VAL  34          1HG2      VAL  34   3.410 -10.694   6.785
  258   2HG2  VAL  34          2HG2      VAL  34   4.129  -9.118   7.196
  259    H    LYS  35           H        LYS  35   1.200  -6.695   4.472
  260    HA   LYS  35           HA       LYS  35  -1.078  -6.494   6.176
  261   1HB   LYS  35          1HB       LYS  35   0.800  -6.521   7.831
  262   2HB   LYS  35          2HB       LYS  35   1.446  -5.078   7.078
  263   1HG   LYS  35          1HG       LYS  35  -1.177  -4.317   7.452
  264   2HG   LYS  35          2HG       LYS  35  -0.960  -5.396   8.816
  265   1HD   LYS  35          1HD       LYS  35   1.077  -3.224   8.186
  266   2HD   LYS  35          2HD       LYS  35  -0.353  -2.877   9.138
  267   1HE   LYS  35          1HE       LYS  35   0.663  -5.241  10.293
  268   2HE   LYS  35          2HE       LYS  35   2.100  -4.312   9.914
  269   1HZ   LYS  35          1HZ       LYS  35   1.524  -2.709  11.358
  270   2HZ   LYS  35          2HZ       LYS  35  -0.085  -2.871  11.132
  271    H    ARG  36           H        ARG  36  -2.237  -4.592   5.749
  272    HA   ARG  36           HA       ARG  36  -1.002  -2.623   3.927
  273   1HB   ARG  36          1HB       ARG  36  -3.416  -4.351   3.299
  274   2HB   ARG  36          2HB       ARG  36  -3.108  -2.799   2.483
  275   1HG   ARG  36          1HG       ARG  36  -1.694  -3.859   1.084
  276   2HG   ARG  36          2HG       ARG  36  -0.646  -4.233   2.474
  277   1HD   ARG  36          1HD       ARG  36  -1.187  -6.336   1.468
  278   2HD   ARG  36          2HD       ARG  36  -2.182  -6.219   2.935
  279    HE   ARG  36           HE       ARG  36  -3.552  -5.195   0.599
  280   1HH1  ARG  36          1HH1      ARG  36  -5.502  -8.117   0.286
  281   2HH1  ARG  36          2HH1      ARG  36  -5.317  -6.449  -0.208
  282   1HH2  ARG  36          1HH2      ARG  36  -3.975  -9.070   1.751
  283   2HH2  ARG  36          2HH2      ARG  36  -2.639  -8.120   2.362
  284    H    GLY  37           H        GLY  37  -2.686  -0.779   3.496
  285   1HA   GLY  37          1HA       GLY  37  -4.881  -0.334   5.100
  286   2HA   GLY  37          2HA       GLY  37  -3.504   0.182   6.053
  287    H    CYS  38           H        CYS  38  -4.615   2.359   5.818
  288    HA   CYS  38           HA       CYS  38  -4.218   3.524   3.182
  289   1HB   CYS  38          1HB       CYS  38  -5.669   4.543   5.632
  290   2HB   CYS  38          2HB       CYS  38  -5.461   5.466   4.157
  291    H    ILE  39           H        ILE  39  -3.081   5.673   3.073
  292    HA   ILE  39           HA       ILE  39  -1.561   6.546   5.302
  293    HB   ILE  39           HB       ILE  39  -0.430   4.379   4.320
  294   1HG1  ILE  39          1HG1      ILE  39   1.696   6.312   4.712
  295   2HG1  ILE  39          2HG1      ILE  39   0.398   6.588   5.857
  296   1HG2  ILE  39          1HG2      ILE  39   1.362   5.019   2.692
  297   2HG2  ILE  39          2HG2      ILE  39  -0.287   5.016   2.023
  298   1HD1  ILE  39          1HD1      ILE  39   0.457   3.979   6.205
  299   2HD1  ILE  39          2HD1      ILE  39   2.067   4.093   5.456
  300    H    ASP  40           H        ASP  40   0.276   8.135   4.219
  301    HA   ASP  40           HA       ASP  40  -1.279   9.749   2.258
  302   1HB   ASP  40          1HB       ASP  40  -0.836  10.718   4.542
  303   2HB   ASP  40          2HB       ASP  40   0.901  10.652   4.172
  304    HD2  ASP  40           HD       ASP  40  -0.821  12.939   1.496
  305    H    VAL  41           H        VAL  41   2.067   8.737   3.220
  306    HA   VAL  41           HA       VAL  41   2.785   9.050   0.387
  307    HB   VAL  41           HB       VAL  41   4.340   9.753   2.877
  308   1HG1  VAL  41          1HG1      VAL  41   6.204  10.335   1.267
  309   2HG1  VAL  41          2HG1      VAL  41   5.913   8.595   1.505
  310   1HG2  VAL  41          1HG2      VAL  41   4.120  11.939   2.272
  311   2HG2  VAL  41          2HG2      VAL  41   4.110  11.575   0.530
  312    H    CYS  42           H        CYS  42   4.502   7.550  -0.348
  313    HA   CYS  42           HA       CYS  42   4.134   4.996   0.970
  314   1HB   CYS  42          1HB       CYS  42   4.227   5.775  -1.690
  315   2HB   CYS  42          2HB       CYS  42   5.788   5.022  -1.437
  316    HA   PRO  43           HA       PRO  43   8.124   5.309   2.719
  317   1HB   PRO  43          1HB       PRO  43   8.456   2.729   3.557
  318   2HB   PRO  43          2HB       PRO  43   7.545   3.920   4.463
  319   1HG   PRO  43          1HG       PRO  43   6.542   1.667   2.833
  320   2HG   PRO  43          2HG       PRO  43   5.704   2.590   4.064
  321   1HD   PRO  43          1HD       PRO  43   5.392   2.837   1.223
  322   2HD   PRO  43          2HD       PRO  43   4.641   3.837   2.451
  323    H    LYS  44           H        LYS  44  10.388   4.640   2.566
  324    HA   LYS  44           HA       LYS  44  11.075   4.363  -0.115
  325   1HB   LYS  44          1HB       LYS  44  12.555   5.410   1.472
  326   2HB   LYS  44          2HB       LYS  44  12.660   3.949   2.433
  327   1HG   LYS  44          1HG       LYS  44  14.406   3.249   1.172
  328   2HG   LYS  44          2HG       LYS  44  13.363   3.195  -0.235
  329   1HD   LYS  44          1HD       LYS  44  13.770   5.747  -0.453
  330   2HD   LYS  44          2HD       LYS  44  15.041   5.545   0.737
  331   1HE   LYS  44          1HE       LYS  44  15.319   3.496  -1.311
  332   2HE   LYS  44          2HE       LYS  44  15.191   5.064  -2.082
  333   1HZ   LYS  44          1HZ       LYS  44  17.445   4.184  -1.185
  334   2HZ   LYS  44          2HZ       LYS  44  17.085   5.775  -1.102
  335    H    SER  45           H        SER  45  11.618   2.624  -1.422
  336    HA   SER  45           HA       SER  45  10.702   0.094  -0.404
  337   1HB   SER  45          1HB       SER  45  11.087   1.346  -3.070
  338   2HB   SER  45          2HB       SER  45  11.493  -0.358  -3.018
  339    HG   SER  45           HG       SER  45   9.006   0.861  -2.941
  340    H    SER  46           H        SER  46  12.057  -1.592   0.172
  341    HA   SER  46           HA       SER  46  14.886  -1.135  -0.354
  342   1HB   SER  46          1HB       SER  46  15.352  -2.461   1.641
  343   2HB   SER  46          2HB       SER  46  14.212  -1.195   2.050
  344    HG   SER  46           HG       SER  46  12.829  -3.415   1.226
  345    H    LEU  47           H        LEU  47  16.115  -3.463  -0.245
  346    HA   LEU  47           HA       LEU  47  15.081  -4.898  -2.476
  347   1HB   LEU  47          1HB       LEU  47  17.511  -5.062  -0.734
  348   2HB   LEU  47          2HB       LEU  47  17.116  -6.399  -1.796
  349    HG   LEU  47           HG       LEU  47  17.477  -3.541  -2.737
  350   1HD1  LEU  47          1HD1      LEU  47  19.690  -3.996  -3.327
  351   2HD1  LEU  47          2HD1      LEU  47  19.526  -4.692  -1.697
  352   1HD2  LEU  47          1HD2      LEU  47  17.109  -6.166  -4.187
  353   2HD2  LEU  47          2HD2      LEU  47  16.122  -4.690  -4.294
  354    H    LEU  48           H        LEU  48  15.538  -5.590   1.049
  355    HA   LEU  48           HA       LEU  48  14.600  -8.190   0.992
  356   1HB   LEU  48          1HB       LEU  48  15.793  -7.086   2.849
  357   2HB   LEU  48          2HB       LEU  48  14.359  -6.143   3.200
  358    HG   LEU  48           HG       LEU  48  13.375  -8.717   3.261
  359   1HD1  LEU  48          1HD1      LEU  48  16.147  -9.047   3.341
  360   2HD1  LEU  48          2HD1      LEU  48  15.618  -9.203   5.033
  361   1HD2  LEU  48          1HD2      LEU  48  13.522  -6.545   4.937
  362   2HD2  LEU  48          2HD2      LEU  48  12.722  -8.092   5.306
  363    H    VAL  49           H        VAL  49  12.716  -5.274   2.080
  364    HA   VAL  49           HA       VAL  49  10.328  -6.673   1.093
  365    HB   VAL  49           HB       VAL  49   9.120  -5.247   2.738
  366   1HG1  VAL  49          1HG1      VAL  49   9.216  -7.148   3.902
  367   2HG1  VAL  49          2HG1      VAL  49  10.825  -7.529   3.242
  368   1HG2  VAL  49          1HG2      VAL  49  11.898  -4.593   3.776
  369   2HG2  VAL  49          2HG2      VAL  49  10.823  -3.458   2.925
  370    H    LYS  50           H        LYS  50   8.775  -5.470  -0.120
  371    HA   LYS  50           HA       LYS  50   9.721  -2.839  -1.001
  372   1HB   LYS  50          1HB       LYS  50   9.708  -5.217  -2.558
  373   2HB   LYS  50          2HB       LYS  50   8.402  -4.213  -3.155
  374   1HG   LYS  50          1HG       LYS  50   9.935  -2.298  -3.427
  375   2HG   LYS  50          2HG       LYS  50  11.247  -3.200  -2.694
  376   1HD   LYS  50          1HD       LYS  50  11.727  -4.288  -4.638
  377   2HD   LYS  50          2HD       LYS  50  10.046  -4.692  -4.924
  378   1HE   LYS  50          1HE       LYS  50  11.198  -1.911  -5.440
  379   2HE   LYS  50          2HE       LYS  50  11.121  -3.156  -6.671
  380   1HZ   LYS  50          1HZ       LYS  50   8.738  -2.355  -5.173
  381   2HZ   LYS  50          2HZ       LYS  50   9.206  -1.562  -6.521
  382    H    TYR  51           H        TYR  51   8.065  -1.331  -1.515
  383    HA   TYR  51           HA       TYR  51   5.363  -2.245  -0.798
  384   1HB   TYR  51          1HB       TYR  51   6.493   0.547  -0.284
  385   2HB   TYR  51          2HB       TYR  51   5.176  -0.243   0.558
  386    HD1  TYR  51           1HD      TYR  51   8.188   1.035   1.223
  387    HD2  TYR  51           2HD      TYR  51   6.247  -2.770   1.465
  388    HE1  TYR  51           1HE      TYR  51   9.785   0.330   3.071
  389    HE2  TYR  51           2HE      TYR  51   7.851  -3.462   3.313
  390    HH   TYR  51           HH       TYR  51  10.211  -1.163   4.606
  391    H    VAL  52           H        VAL  52   3.611  -0.848  -1.688
  392    HA   VAL  52           HA       VAL  52   4.399   0.876  -3.873
  393    HB   VAL  52           HB       VAL  52   2.926  -1.730  -4.234
  394   1HG1  VAL  52          1HG1      VAL  52   2.602   0.817  -5.689
  395   2HG1  VAL  52          2HG1      VAL  52   2.930  -0.592  -6.725
  396   1HG2  VAL  52          1HG2      VAL  52   5.298  -1.963  -4.480
  397   2HG2  VAL  52          2HG2      VAL  52   4.588  -1.973  -6.113
  398    H    CYS  53           H        CYS  53   2.864   2.479  -4.267
  399    HA   CYS  53           HA       CYS  53   0.455   2.262  -2.610
  400   1HB   CYS  53          1HB       CYS  53   2.220   4.644  -3.167
  401   2HB   CYS  53          2HB       CYS  53   0.568   4.818  -2.606
  402    H    CYS  54           H        CYS  54  -1.335   3.829  -3.546
  403    HA   CYS  54           HA       CYS  54  -1.187   4.533  -6.257
  404   1HB   CYS  54          1HB       CYS  54  -3.181   2.771  -6.729
  405   2HB   CYS  54          2HB       CYS  54  -1.509   2.539  -7.200
  406    H    ASN  55           H        ASN  55  -3.021   5.852  -6.776
  407    HA   ASN  55           HA       ASN  55  -4.733   6.307  -4.477
  408   1HB   ASN  55          1HB       ASN  55  -5.296   8.468  -5.797
  409   2HB   ASN  55          2HB       ASN  55  -3.666   8.348  -5.166
  410   1HD2  ASN  55          1HD2      ASN  55  -2.441   9.379  -6.567
  411   2HD2  ASN  55          2HD2      ASN  55  -2.341   9.085  -8.271
  412    H    THR  56           H        THR  56  -5.722   4.107  -5.471
  413    HA   THR  56           HA       THR  56  -7.956   4.932  -7.168
  414    HB   THR  56           HB       THR  56  -7.594   2.990  -8.646
  415    HG1  THR  56           1HG      THR  56  -6.524   1.429  -7.468
  416   1HG2  THR  56          1HG2      THR  56  -4.946   4.460  -8.171
  417   2HG2  THR  56          2HG2      THR  56  -5.348   3.500  -9.615
  418    H    ASP  57           H        ASP  57  -9.866   3.843  -6.780
  419    HA   ASP  57           HA       ASP  57 -10.230   2.845  -4.153
  420   1HB   ASP  57          1HB       ASP  57 -11.827   3.112  -6.648
  421   2HB   ASP  57          2HB       ASP  57 -12.389   1.882  -5.495
  422    HD2  ASP  57           HD       ASP  57 -13.819   5.096  -4.578
  423    H    LYS  58           H        LYS  58  -9.632   0.939  -3.280
  424    HA   LYS  58           HA       LYS  58  -9.093  -1.191  -3.083
  425   1HB   LYS  58          1HB       LYS  58 -11.169  -1.275  -5.228
  426   2HB   LYS  58          2HB       LYS  58 -10.230  -2.730  -4.955
  427   1HG   LYS  58          1HG       LYS  58 -11.980  -3.035  -3.429
  428   2HG   LYS  58          2HG       LYS  58 -10.764  -2.302  -2.401
  429   1HD   LYS  58          1HD       LYS  58 -12.041  -0.451  -2.043
  430   2HD   LYS  58          2HD       LYS  58 -12.355  -0.243  -3.754
  431   1HE   LYS  58          1HE       LYS  58 -13.924  -2.437  -3.260
  432   2HE   LYS  58          2HE       LYS  58 -13.981  -1.672  -1.684
  433   1HZ   LYS  58          1HZ       LYS  58 -14.823   0.280  -2.636
  434   2HZ   LYS  58          2HZ       LYS  58 -14.501  -0.196  -4.165
  435    H    CYS  59           H        CYS  59  -7.039   0.213  -3.967
  436    HA   CYS  59           HA       CYS  59  -6.108  -0.869  -6.471
  437   1HB   CYS  59          1HB       CYS  59  -4.651   0.833  -6.529
  438   2HB   CYS  59          2HB       CYS  59  -5.765   1.541  -5.376
  439    H    ASN  60           H        ASN  60  -5.258  -0.887  -2.941
  440    HA   ASN  60           HA       ASN  60  -3.250  -2.858  -3.397
  441   1HB   ASN  60          1HB       ASN  60  -2.800  -2.655  -1.021
  442   2HB   ASN  60          2HB       ASN  60  -3.154  -1.037  -1.594
  443   1HD2  ASN  60          1HD2      ASN  60  -3.354  -1.547   1.029
  444   2HD2  ASN  60          2HD2      ASN  60  -5.001  -1.562   1.565
  445   1H    HOH  61          1H        HOH  61   5.941 -10.915  -0.687
  446   2H    HOH  61          2H        HOH  61   5.129 -11.536   0.428
  447   1H    HOH  62          1H        HOH  62   6.984 -15.196  -6.994
  448   2H    HOH  62          2H        HOH  62   8.308 -15.137  -7.726
  Start of MODEL   13
    1    H    LEU   1           H        LEU   1 -12.819   8.201  -2.320
    2    HA   LEU   1           HA       LEU   1 -10.875   6.882  -1.587
    3   1HB   LEU   1          1HB       LEU   1 -12.332   8.814   0.149
    4   2HB   LEU   1          2HB       LEU   1 -10.965   7.965   0.842
    5    HG   LEU   1           HG       LEU   1 -10.270  10.117  -0.014
    6   1HD1  LEU   1          1HD1      LEU   1  -8.961   8.615  -2.124
    7   2HD1  LEU   1          2HD1      LEU   1  -8.298   9.288  -0.616
    8   1HD2  LEU   1          1HD2      LEU   1 -11.046   9.252  -2.802
    9   2HD2  LEU   1          2HD2      LEU   1 -12.114  10.222  -1.759
   10    H    LYS   2           H        LYS   2 -11.818   4.624  -1.787
   11    HA   LYS   2           HA       LYS   2 -12.014   3.534   0.908
   12   1HB   LYS   2          1HB       LYS   2 -14.339   3.881   0.058
   13   2HB   LYS   2          2HB       LYS   2 -13.980   2.816  -1.286
   14   1HG   LYS   2          1HG       LYS   2 -13.657   0.918   0.159
   15   2HG   LYS   2          2HG       LYS   2 -13.542   1.922   1.590
   16   1HD   LYS   2          1HD       LYS   2 -15.856   2.285   1.702
   17   2HD   LYS   2          2HD       LYS   2 -16.085   2.074  -0.022
   18   1HE   LYS   2          1HE       LYS   2 -15.045  -0.384   1.199
   19   2HE   LYS   2          2HE       LYS   2 -16.516   0.134   1.998
   20   1HZ   LYS   2          1HZ       LYS   2 -16.476  -1.232  -0.258
   21   2HZ   LYS   2          2HZ       LYS   2 -17.711  -0.254   0.170
   22    H    CYS   3           H        CYS   3 -10.695   1.795   1.157
   23    HA   CYS   3           HA       CYS   3  -9.878   0.423  -1.292
   24   1HB   CYS   3          1HB       CYS   3  -8.153   1.749   0.746
   25   2HB   CYS   3          2HB       CYS   3  -7.608   0.216   0.097
   26    H    LYS   4           H        LYS   4  -8.344  -1.597  -0.221
   27    HA   LYS   4           HA       LYS   4 -10.301  -2.974   1.432
   28   1HB   LYS   4          1HB       LYS   4  -8.088  -3.806  -0.411
   29   2HB   LYS   4          2HB       LYS   4  -8.584  -4.907   0.858
   30   1HG   LYS   4          1HG       LYS   4 -10.786  -3.626  -0.732
   31   2HG   LYS   4          2HG       LYS   4  -9.801  -4.804  -1.576
   32   1HD   LYS   4          1HD       LYS   4 -10.402  -5.893   1.022
   33   2HD   LYS   4          2HD       LYS   4 -11.900  -5.272   0.357
   34   1HE   LYS   4          1HE       LYS   4 -10.130  -6.882  -1.476
   35   2HE   LYS   4          2HE       LYS   4 -10.996  -7.749  -0.224
   36   1HZ   LYS   4          1HZ       LYS   4 -12.150  -6.052  -2.318
   37   2HZ   LYS   4          2HZ       LYS   4 -12.376  -7.654  -2.095
   38    H    LYS   5           H        LYS   5  -9.814  -3.902   3.462
   39    HA   LYS   5           HA       LYS   5  -7.811  -2.456   4.904
   40   1HB   LYS   5          1HB       LYS   5  -9.854  -4.553   5.664
   41   2HB   LYS   5          2HB       LYS   5  -8.689  -3.918   6.808
   42   1HG   LYS   5          1HG       LYS   5 -10.407  -2.034   5.155
   43   2HG   LYS   5          2HG       LYS   5 -11.043  -2.762   6.617
   44   1HD   LYS   5          1HD       LYS   5 -10.125  -0.855   7.555
   45   2HD   LYS   5          2HD       LYS   5  -8.718  -1.894   7.652
   46   1HE   LYS   5          1HE       LYS   5  -8.860  -0.623   5.019
   47   2HE   LYS   5          2HE       LYS   5  -8.925   0.589   6.283
   48   1HZ   LYS   5          1HZ       LYS   5  -6.971  -1.511   6.609
   49   2HZ   LYS   5          2HZ       LYS   5  -6.681  -0.424   5.425
   50    H    LEU   6           H        LEU   6  -6.787  -4.288   6.722
   51    HA   LEU   6           HA       LEU   6  -4.562  -5.220   5.473
   52   1HB   LEU   6          1HB       LEU   6  -5.965  -5.847   8.021
   53   2HB   LEU   6          2HB       LEU   6  -4.683  -6.930   7.517
   54    HG   LEU   6           HG       LEU   6  -3.332  -4.663   7.221
   55   1HD1  LEU   6          1HD1      LEU   6  -5.452  -3.941   9.260
   56   2HD1  LEU   6          2HD1      LEU   6  -3.930  -3.051   9.014
   57   1HD2  LEU   6          1HD2      LEU   6  -2.921  -6.656   8.758
   58   2HD2  LEU   6          2HD2      LEU   6  -2.281  -5.080   9.282
   59    H    VAL   7           H        VAL   7  -7.226  -7.422   6.603
   60    HA   VAL   7           HA       VAL   7  -6.350  -9.378   4.673
   61    HB   VAL   7           HB       VAL   7  -8.555  -9.351   6.743
   62   1HG1  VAL   7          1HG1      VAL   7  -9.110 -11.524   6.225
   63   2HG1  VAL   7          2HG1      VAL   7  -8.719 -10.901   4.604
   64   1HG2  VAL   7          1HG2      VAL   7  -5.828 -10.689   6.741
   65   2HG2  VAL   7          2HG2      VAL   7  -6.302  -9.270   7.705
   66    HA   PRO   8           HA       PRO   8  -9.215  -8.136   1.669
   67   1HB   PRO   8          1HB       PRO   8  -9.045 -10.280  -0.018
   68   2HB   PRO   8          2HB       PRO   8  -7.891  -8.962  -0.025
   69   1HG   PRO   8          1HG       PRO   8  -7.572 -11.699   1.046
   70   2HG   PRO   8          2HG       PRO   8  -6.334 -10.526   0.645
   71   1HD   PRO   8          1HD       PRO   8  -7.265 -11.209   3.271
   72   2HD   PRO   8          2HD       PRO   8  -6.111  -9.956   2.861
   73    H    LEU   9           H        LEU   9 -10.553  -8.713   3.869
   74    HA   LEU   9           HA       LEU   9 -12.586 -10.583   2.866
   75   1HB   LEU   9          1HB       LEU   9 -11.340 -10.229   5.539
   76   2HB   LEU   9          2HB       LEU   9 -13.061 -10.561   5.502
   77    HG   LEU   9           HG       LEU   9 -10.903 -12.283   4.249
   78   1HD1  LEU   9          1HD1      LEU   9 -12.057 -13.843   6.133
   79   2HD1  LEU   9          2HD1      LEU   9 -10.592 -12.869   6.402
   80   1HD2  LEU   9          1HD2      LEU   9 -13.881 -12.358   4.124
   81   2HD2  LEU   9          2HD2      LEU   9 -12.664 -12.819   2.910
   82    H    PHE  10           H        PHE  10 -11.814  -7.445   4.388
   83    HA   PHE  10           HA       PHE  10 -14.501  -6.579   3.642
   84   1HB   PHE  10          1HB       PHE  10 -13.057  -5.782   6.227
   85   2HB   PHE  10          2HB       PHE  10 -14.745  -5.515   5.842
   86    HD1  PHE  10           1HD      PHE  10 -12.405  -7.686   7.417
   87    HD2  PHE  10           2HD      PHE  10 -16.248  -7.587   5.621
   88    HE1  PHE  10           1HE      PHE  10 -13.012  -9.816   8.598
   89    HE2  PHE  10           2HE      PHE  10 -16.855  -9.717   6.802
   90    HZ   PHE  10           HZ       PHE  10 -15.230 -10.806   8.277
   91    H    SER  11           H        SER  11 -14.662  -4.123   3.607
   92    HA   SER  11           HA       SER  11 -12.039  -3.022   2.960
   93   1HB   SER  11          1HB       SER  11 -13.376  -1.527   1.326
   94   2HB   SER  11          2HB       SER  11 -13.122  -3.198   0.863
   95    HG   SER  11           HG       SER  11 -15.235  -3.538   0.905
   96    H    LYS  12           H        LYS  12 -11.913  -0.586   3.234
   97    HA   LYS  12           HA       LYS  12 -13.970   0.553   4.920
   98   1HB   LYS  12          1HB       LYS  12 -11.319  -0.326   5.931
   99   2HB   LYS  12          2HB       LYS  12 -11.830   1.278   6.416
  100   1HG   LYS  12          1HG       LYS  12 -14.088   0.225   7.083
  101   2HG   LYS  12          2HG       LYS  12 -13.337  -1.339   6.840
  102   1HD   LYS  12          1HD       LYS  12 -12.383  -1.234   8.891
  103   2HD   LYS  12          2HD       LYS  12 -11.541   0.238   8.449
  104   1HE   LYS  12          1HE       LYS  12 -14.471   0.380   9.211
  105   2HE   LYS  12          2HE       LYS  12 -13.263   0.244  10.473
  106   1HZ   LYS  12          1HZ       LYS  12 -13.089   2.423  10.245
  107   2HZ   LYS  12          2HZ       LYS  12 -12.271   2.153   8.857
  108    H    THR  13           H        THR  13 -13.534   2.944   5.277
  109    HA   THR  13           HA       THR  13 -12.281   3.988   2.839
  110    HB   THR  13           HB       THR  13 -14.360   5.081   4.803
  111    HG1  THR  13           1HG      THR  13 -15.592   4.057   3.279
  112   1HG2  THR  13          1HG2      THR  13 -14.125   6.429   2.210
  113   2HG2  THR  13          2HG2      THR  13 -14.158   7.146   3.839
  114    H    CYS  14           H        CYS  14 -10.791   5.706   2.869
  115    HA   CYS  14           HA       CYS  14  -9.309   5.782   5.369
  116   1HB   CYS  14          1HB       CYS  14  -8.354   7.031   2.819
  117   2HB   CYS  14          2HB       CYS  14  -7.427   6.374   4.153
  118    HA   PRO  15           HA       PRO  15 -10.929   9.798   6.012
  119   1HB   PRO  15          1HB       PRO  15  -9.470  10.482   8.220
  120   2HB   PRO  15          2HB       PRO  15 -10.928   9.512   8.297
  121   1HG   PRO  15          1HG       PRO  15  -8.113   8.651   8.569
  122   2HG   PRO  15          2HG       PRO  15  -9.571   7.808   9.055
  123   1HD   PRO  15          1HD       PRO  15  -7.959   7.258   6.747
  124   2HD   PRO  15          2HD       PRO  15  -9.478   6.493   7.171
  125    H    ALA  16           H        ALA  16 -10.255  12.143   6.296
  126    HA   ALA  16           HA       ALA  16  -8.787  12.913   4.171
  127   1HB   ALA  16          1HB       ALA  16  -9.041  15.017   5.037
  128   2HB   ALA  16          2HB       ALA  16 -10.120  14.166   6.168
  129    H    GLY  17           H        GLY  17  -6.575  13.997   4.095
  130   1HA   GLY  17          1HA       GLY  17  -4.355  14.083   4.616
  131   2HA   GLY  17          2HA       GLY  17  -4.624  13.058   6.012
  132    H    LYS  18           H        LYS  18  -5.855  10.787   4.922
  133    HA   LYS  18           HA       LYS  18  -3.613   9.696   3.421
  134   1HB   LYS  18          1HB       LYS  18  -5.908   8.081   4.500
  135   2HB   LYS  18          2HB       LYS  18  -4.245   7.602   4.228
  136   1HG   LYS  18          1HG       LYS  18  -5.072   9.680   6.307
  137   2HG   LYS  18          2HG       LYS  18  -4.876   7.977   6.673
  138   1HD   LYS  18          1HD       LYS  18  -2.508   8.656   5.294
  139   2HD   LYS  18          2HD       LYS  18  -2.822  10.049   6.309
  140   1HE   LYS  18          1HE       LYS  18  -3.131   8.436   8.275
  141   2HE   LYS  18          2HE       LYS  18  -2.581   7.146   7.224
  142   1HZ   LYS  18          1HZ       LYS  18  -0.503   7.832   7.426
  143   2HZ   LYS  18          2HZ       LYS  18  -0.863   9.403   7.163
  144    H    ASN  19           H        ASN  19  -3.970  10.571   1.337
  145    HA   ASN  19           HA       ASN  19  -6.507   9.801   0.147
  146   1HB   ASN  19          1HB       ASN  19  -4.501  11.992  -0.353
  147   2HB   ASN  19          2HB       ASN  19  -5.333  11.366  -1.762
  148   1HD2  ASN  19          1HD2      ASN  19  -5.594  13.100   1.223
  149   2HD2  ASN  19          2HD2      ASN  19  -7.216  13.682   1.047
  150    H    LEU  20           H        LEU  20  -3.774   8.277   0.701
  151    HA   LEU  20           HA       LEU  20  -3.617   7.141  -1.983
  152   1HB   LEU  20          1HB       LEU  20  -1.346   8.274  -0.380
  153   2HB   LEU  20          2HB       LEU  20  -1.077   6.951  -1.497
  154    HG   LEU  20           HG       LEU  20  -2.336   9.582  -2.308
  155   1HD1  LEU  20          1HD1      LEU  20  -0.281  10.405  -1.824
  156   2HD1  LEU  20          2HD1      LEU  20   0.516   8.819  -1.959
  157   1HD2  LEU  20          1HD2      LEU  20  -2.897   7.797  -3.819
  158   2HD2  LEU  20          2HD2      LEU  20  -1.683   8.845  -4.591
  159    H    CYS  21           H        CYS  21  -3.649   4.933  -1.971
  160    HA   CYS  21           HA       CYS  21  -3.763   3.713   0.658
  161   1HB   CYS  21          1HB       CYS  21  -4.513   2.705  -2.091
  162   2HB   CYS  21          2HB       CYS  21  -4.558   1.711  -0.648
  163    H    TYR  22           H        TYR  22  -2.214   2.211   1.375
  164    HA   TYR  22           HA       TYR  22   0.052   1.797  -0.456
  165   1HB   TYR  22          1HB       TYR  22   1.407   2.016   1.520
  166   2HB   TYR  22          2HB       TYR  22   0.129   3.175   1.827
  167    HD1  TYR  22           1HD      TYR  22  -1.287   2.961   3.716
  168    HD2  TYR  22           2HD      TYR  22   1.227  -0.307   2.571
  169    HE1  TYR  22           1HE      TYR  22  -1.841   1.763   5.889
  170    HE2  TYR  22           2HE      TYR  22   0.665  -1.493   4.748
  171    HH   TYR  22           HH       TYR  22  -0.090  -0.991   6.926
  172    H    LYS  23           H        LYS  23   1.091  -0.280  -0.461
  173    HA   LYS  23           HA       LYS  23  -0.384  -2.389   0.925
  174   1HB   LYS  23          1HB       LYS  23  -1.390  -2.373  -1.248
  175   2HB   LYS  23          2HB       LYS  23   0.165  -2.260  -2.048
  176   1HG   LYS  23          1HG       LYS  23   0.464  -4.540  -0.455
  177   2HG   LYS  23          2HG       LYS  23  -1.214  -4.637  -0.950
  178   1HD   LYS  23          1HD       LYS  23   1.045  -4.123  -2.932
  179   2HD   LYS  23          2HD       LYS  23   0.508  -5.739  -2.520
  180   1HE   LYS  23          1HE       LYS  23  -0.930  -5.422  -4.288
  181   2HE   LYS  23          2HE       LYS  23  -1.913  -4.617  -3.082
  182   1HZ   LYS  23          1HZ       LYS  23  -1.244  -3.428  -5.265
  183   2HZ   LYS  23          2HZ       LYS  23  -1.332  -2.587  -3.868
  184    H    MET  24           H        MET  24   1.016  -3.543   2.130
  185    HA   MET  24           HA       MET  24   3.807  -3.420   1.322
  186   1HB   MET  24          1HB       MET  24   2.461  -4.167   3.979
  187   2HB   MET  24          2HB       MET  24   4.196  -4.161   3.731
  188   1HG   MET  24          1HG       MET  24   3.946  -1.683   3.014
  189   2HG   MET  24          2HG       MET  24   2.307  -1.769   3.629
  190   1HE   MET  24          1HE       MET  24   3.287   0.007   6.608
  191   2HE   MET  24          2HE       MET  24   4.464   0.376   5.325
  192    H    PHE  25           H        PHE  25   4.807  -5.218   0.510
  193    HA   PHE  25           HA       PHE  25   3.693  -7.817   1.235
  194   1HB   PHE  25          1HB       PHE  25   3.610  -8.444  -1.122
  195   2HB   PHE  25          2HB       PHE  25   2.832  -6.877  -1.030
  196    HD1  PHE  25           1HD      PHE  25   3.522  -5.188  -2.459
  197    HD2  PHE  25           2HD      PHE  25   6.175  -8.402  -1.661
  198    HE1  PHE  25           1HE      PHE  25   5.120  -4.294  -4.176
  199    HE2  PHE  25           2HE      PHE  25   7.774  -7.508  -3.378
  200    HZ   PHE  25           HZ       PHE  25   7.227  -5.465  -4.615
  201    H    MET  26           H        MET  26   5.220  -9.562   1.141
  202    HA   MET  26           HA       MET  26   7.932  -8.587   1.290
  203   1HB   MET  26          1HB       MET  26   6.526 -11.199   2.044
  204   2HB   MET  26          2HB       MET  26   8.271 -11.052   2.115
  205   1HG   MET  26          1HG       MET  26   8.207  -9.467   3.871
  206   2HG   MET  26          2HG       MET  26   6.576  -8.954   3.492
  207   1HE   MET  26          1HE       MET  26   5.856  -9.596   6.527
  208   2HE   MET  26          2HE       MET  26   7.143 -10.715   7.038
  209    H    VAL  27           H        VAL  27   9.703  -9.547   0.101
  210    HA   VAL  27           HA       VAL  27   9.110 -10.091  -2.566
  211    HB   VAL  27           HB       VAL  27  11.221  -9.163  -1.536
  212   1HG1  VAL  27          1HG1      VAL  27  11.260 -11.747  -0.305
  213   2HG1  VAL  27          2HG1      VAL  27  12.685 -11.604  -1.362
  214   1HG2  VAL  27          1HG2      VAL  27  11.681  -9.416  -3.725
  215   2HG2  VAL  27          2HG2      VAL  27  12.613 -10.842  -3.209
  216    H    ALA  28           H        ALA  28   8.818 -12.056   0.238
  217    HA   ALA  28           HA       ALA  28   9.600 -14.527  -0.358
  218   1HB   ALA  28          1HB       ALA  28   7.430 -15.276   0.749
  219   2HB   ALA  28          2HB       ALA  28   8.373 -14.065   1.649
  220    H    ALA  29           H        ALA  29   6.847 -12.775  -1.883
  221    HA   ALA  29           HA       ALA  29   7.052 -14.555  -4.146
  222   1HB   ALA  29          1HB       ALA  29   4.267 -14.433  -3.606
  223   2HB   ALA  29          2HB       ALA  29   5.320 -15.868  -3.578
  224    HA   PRO  30           HA       PRO  30   5.943 -10.850  -6.081
  225   1HB   PRO  30          1HB       PRO  30   5.051 -11.732  -8.509
  226   2HB   PRO  30          2HB       PRO  30   6.751 -11.577  -8.111
  227   1HG   PRO  30          1HG       PRO  30   5.111 -14.028  -8.314
  228   2HG   PRO  30          2HG       PRO  30   6.856 -13.869  -8.342
  229   1HD   PRO  30          1HD       PRO  30   5.248 -14.765  -6.142
  230   2HD   PRO  30          2HD       PRO  30   6.980 -14.496  -6.133
  231    H    HIS  31           H        HIS  31   3.587 -13.236  -5.499
  232    HA   HIS  31           HA       HIS  31   1.603 -11.098  -5.529
  233   1HB   HIS  31          1HB       HIS  31   1.647 -12.843  -7.564
  234   2HB   HIS  31          2HB       HIS  31   0.735 -13.809  -6.422
  235    HD1  HIS  31           1HD      HIS  31  -1.638 -13.632  -7.211
  236    HD2  HIS  31           2HD      HIS  31   0.288  -9.907  -7.117
  237    HE1  HIS  31           1HE      HIS  31  -3.416 -11.892  -7.781
  238    H    VAL  32           H        VAL  32   2.665 -11.436  -3.202
  239    HA   VAL  32           HA       VAL  32   0.687 -12.940  -1.735
  240    HB   VAL  32           HB       VAL  32   3.634 -13.595  -1.661
  241   1HG1  VAL  32          1HG1      VAL  32   1.722 -14.943   0.196
  242   2HG1  VAL  32          2HG1      VAL  32   3.459 -14.601   0.385
  243   1HG2  VAL  32          1HG2      VAL  32   2.859 -15.895  -2.068
  244   2HG2  VAL  32          2HG2      VAL  32   1.175 -15.319  -2.120
  245    HA   PRO  33           HA       PRO  33   1.722  -9.052   0.186
  246   1HB   PRO  33          1HB       PRO  33  -0.824  -8.382   0.920
  247   2HB   PRO  33          2HB       PRO  33  -0.108  -7.899  -0.604
  248   1HG   PRO  33          1HG       PRO  33  -2.127  -9.995  -0.086
  249   2HG   PRO  33          2HG       PRO  33  -1.718  -9.215  -1.602
  250   1HD   PRO  33          1HD       PRO  33  -0.944 -11.846  -0.763
  251   2HD   PRO  33          2HD       PRO  33  -0.441 -11.022  -2.225
  252    H    VAL  34           H        VAL  34   1.637  -8.194   2.395
  253    HA   VAL  34           HA       VAL  34   1.257 -10.478   4.204
  254    HB   VAL  34           HB       VAL  34   3.559  -9.798   4.023
  255   1HG1  VAL  34          1HG1      VAL  34   4.194  -7.454   4.843
  256   2HG1  VAL  34          2HG1      VAL  34   3.495  -7.583   3.211
  257   1HG2  VAL  34          1HG2      VAL  34   2.032  -9.433   6.525
  258   2HG2  VAL  34          2HG2      VAL  34   3.450 -10.452   6.180
  259    H    LYS  35           H        LYS  35   0.726  -6.968   3.641
  260    HA   LYS  35           HA       LYS  35  -1.724  -6.994   4.971
  261   1HB   LYS  35          1HB       LYS  35  -1.312  -5.941   7.036
  262   2HB   LYS  35          2HB       LYS  35  -0.171  -7.268   6.956
  263   1HG   LYS  35          1HG       LYS  35   1.049  -4.948   5.725
  264   2HG   LYS  35          2HG       LYS  35   0.388  -4.464   7.274
  265   1HD   LYS  35          1HD       LYS  35   1.579  -6.929   7.857
  266   2HD   LYS  35          2HD       LYS  35   2.681  -6.238   6.683
  267   1HE   LYS  35          1HE       LYS  35   3.541  -5.296   8.633
  268   2HE   LYS  35          2HE       LYS  35   2.416  -4.036   8.167
  269   1HZ   LYS  35          1HZ       LYS  35   0.849  -5.638   9.580
  270   2HZ   LYS  35          2HZ       LYS  35   2.266  -5.877  10.356
  271    H    ARG  36           H        ARG  36  -2.702  -4.825   4.964
  272    HA   ARG  36           HA       ARG  36  -1.188  -2.819   3.394
  273   1HB   ARG  36          1HB       ARG  36  -3.976  -3.819   2.693
  274   2HB   ARG  36          2HB       ARG  36  -3.072  -2.533   1.858
  275   1HG   ARG  36          1HG       ARG  36  -1.518  -4.035   0.949
  276   2HG   ARG  36          2HG       ARG  36  -1.840  -5.272   2.188
  277   1HD   ARG  36          1HD       ARG  36  -3.852  -4.393   0.079
  278   2HD   ARG  36          2HD       ARG  36  -2.800  -5.817  -0.079
  279    HE   ARG  36           HE       ARG  36  -4.397  -5.744   2.372
  280   1HH1  ARG  36          1HH1      ARG  36  -6.404  -8.394   1.192
  281   2HH1  ARG  36          2HH1      ARG  36  -5.975  -7.420   2.580
  282   1HH2  ARG  36          1HH2      ARG  36  -5.389  -8.004  -0.858
  283   2HH2  ARG  36          2HH2      ARG  36  -4.195  -6.735  -1.016
  284    H    GLY  37           H        GLY  37  -2.656  -0.728   3.208
  285   1HA   GLY  37          1HA       GLY  37  -4.651  -0.262   5.126
  286   2HA   GLY  37          2HA       GLY  37  -3.106   0.183   5.821
  287    H    CYS  38           H        CYS  38  -4.384   2.366   5.740
  288    HA   CYS  38           HA       CYS  38  -4.059   3.570   3.096
  289   1HB   CYS  38          1HB       CYS  38  -5.698   4.477   5.472
  290   2HB   CYS  38          2HB       CYS  38  -5.522   5.373   3.976
  291    H    ILE  39           H        ILE  39  -2.937   5.658   2.973
  292    HA   ILE  39           HA       ILE  39  -1.706   6.736   5.300
  293    HB   ILE  39           HB       ILE  39  -0.382   4.588   4.535
  294   1HG1  ILE  39          1HG1      ILE  39   1.738   6.287   5.096
  295   2HG1  ILE  39          2HG1      ILE  39   0.366   7.127   5.792
  296   1HG2  ILE  39          1HG2      ILE  39   1.530   5.252   3.061
  297   2HG2  ILE  39          2HG2      ILE  39  -0.043   5.141   2.235
  298   1HD1  ILE  39          1HD1      ILE  39  -0.303   4.994   6.964
  299   2HD1  ILE  39          2HD1      ILE  39   1.179   4.235   6.334
  300    H    ASP  40           H        ASP  40   0.146   8.369   4.315
  301    HA   ASP  40           HA       ASP  40  -1.263   9.774   2.096
  302   1HB   ASP  40          1HB       ASP  40  -0.286  11.833   3.054
  303   2HB   ASP  40          2HB       ASP  40  -1.314  10.983   4.228
  304    HD2  ASP  40           HD       ASP  40   1.321  10.405   6.351
  305    H    VAL  41           H        VAL  41   1.973   9.052   3.557
  306    HA   VAL  41           HA       VAL  41   3.103   9.520   0.885
  307    HB   VAL  41           HB       VAL  41   3.820  11.038   2.734
  308   1HG1  VAL  41          1HG1      VAL  41   4.047  10.003   4.734
  309   2HG1  VAL  41          2HG1      VAL  41   4.448   8.433   3.998
  310   1HG2  VAL  41          1HG2      VAL  41   6.150  11.006   2.140
  311   2HG2  VAL  41          2HG2      VAL  41   6.064   9.290   1.676
  312    H    CYS  42           H        CYS  42   4.859   8.040   0.221
  313    HA   CYS  42           HA       CYS  42   4.288   5.373   1.242
  314   1HB   CYS  42          1HB       CYS  42   4.498   6.370  -1.338
  315   2HB   CYS  42          2HB       CYS  42   6.029   5.552  -1.097
  316    HA   PRO  43           HA       PRO  43   8.215   5.455   3.159
  317   1HB   PRO  43          1HB       PRO  43   8.408   2.826   3.879
  318   2HB   PRO  43          2HB       PRO  43   7.517   4.012   4.812
  319   1HG   PRO  43          1HG       PRO  43   6.477   1.886   3.041
  320   2HG   PRO  43          2HG       PRO  43   5.636   2.785   4.287
  321   1HD   PRO  43          1HD       PRO  43   5.435   3.181   1.453
  322   2HD   PRO  43          2HD       PRO  43   4.684   4.154   2.703
  323    H    LYS  44           H        LYS  44  10.450   4.618   3.080
  324    HA   LYS  44           HA       LYS  44  11.206   4.441   0.388
  325   1HB   LYS  44          1HB       LYS  44  12.697   5.408   1.982
  326   2HB   LYS  44          2HB       LYS  44  12.677   3.975   2.990
  327   1HG   LYS  44          1HG       LYS  44  13.679   2.686   1.013
  328   2HG   LYS  44          2HG       LYS  44  13.869   4.222   0.191
  329   1HD   LYS  44          1HD       LYS  44  14.946   4.016   2.996
  330   2HD   LYS  44          2HD       LYS  44  15.818   3.162   1.738
  331   1HE   LYS  44          1HE       LYS  44  15.180   5.777   0.711
  332   2HE   LYS  44          2HE       LYS  44  15.828   5.996   2.324
  333   1HZ   LYS  44          1HZ       LYS  44  17.822   5.322   1.662
  334   2HZ   LYS  44          2HZ       LYS  44  17.258   4.086   0.756
  335    H    SER  45           H        SER  45  11.740   2.718  -0.944
  336    HA   SER  45           HA       SER  45  10.706   0.198  -0.027
  337   1HB   SER  45          1HB       SER  45  11.224   1.510  -2.631
  338   2HB   SER  45          2HB       SER  45  11.634  -0.194  -2.623
  339    HG   SER  45           HG       SER  45   9.083   1.014  -1.997
  340    H    SER  46           H        SER  46  11.945  -1.758   0.088
  341    HA   SER  46           HA       SER  46  14.823  -1.287  -0.038
  342   1HB   SER  46          1HB       SER  46  15.097  -2.869   1.808
  343   2HB   SER  46          2HB       SER  46  13.979  -1.607   2.286
  344    HG   SER  46           HG       SER  46  13.008  -4.067   1.147
  345    H    LEU  47           H        LEU  47  15.736  -3.926   0.202
  346    HA   LEU  47           HA       LEU  47  14.918  -4.974  -2.368
  347   1HB   LEU  47          1HB       LEU  47  17.168  -5.612  -0.464
  348   2HB   LEU  47          2HB       LEU  47  16.846  -6.555  -1.906
  349    HG   LEU  47           HG       LEU  47  17.498  -3.595  -1.871
  350   1HD1  LEU  47          1HD1      LEU  47  19.289  -5.442  -1.250
  351   2HD1  LEU  47          2HD1      LEU  47  19.343  -5.644  -3.018
  352   1HD2  LEU  47          1HD2      LEU  47  16.828  -5.523  -4.075
  353   2HD2  LEU  47          2HD2      LEU  47  16.259  -3.858  -3.805
  354    H    LEU  48           H        LEU  48  15.063  -5.989   1.101
  355    HA   LEU  48           HA       LEU  48  13.969  -8.529   0.651
  356   1HB   LEU  48          1HB       LEU  48  15.210  -8.065   2.627
  357   2HB   LEU  48          2HB       LEU  48  14.143  -6.750   3.077
  358    HG   LEU  48           HG       LEU  48  12.380  -8.843   2.984
  359   1HD1  LEU  48          1HD1      LEU  48  13.941 -10.573   2.592
  360   2HD1  LEU  48          2HD1      LEU  48  15.070  -9.942   3.815
  361   1HD2  LEU  48          1HD2      LEU  48  12.936  -7.026   4.764
  362   2HD2  LEU  48          2HD2      LEU  48  12.170  -8.552   5.267
  363    H    VAL  49           H        VAL  49  12.383  -5.594   2.104
  364    HA   VAL  49           HA       VAL  49   9.858  -6.649   1.037
  365    HB   VAL  49           HB       VAL  49  10.279  -4.713   3.318
  366   1HG1  VAL  49          1HG1      VAL  49   7.845  -6.181   3.506
  367   2HG1  VAL  49          2HG1      VAL  49   8.069  -4.437   3.232
  368   1HG2  VAL  49          1HG2      VAL  49  11.264  -7.057   3.653
  369   2HG2  VAL  49          2HG2      VAL  49  10.097  -6.482   4.868
  370    H    LYS  50           H        LYS  50   8.400  -5.178  -0.010
  371    HA   LYS  50           HA       LYS  50   9.553  -2.571  -0.655
  372   1HB   LYS  50          1HB       LYS  50  10.019  -4.432  -2.421
  373   2HB   LYS  50          2HB       LYS  50   8.323  -4.262  -2.823
  374   1HG   LYS  50          1HG       LYS  50   8.596  -1.895  -3.339
  375   2HG   LYS  50          2HG       LYS  50  10.221  -1.878  -2.683
  376   1HD   LYS  50          1HD       LYS  50  10.252  -3.949  -4.619
  377   2HD   LYS  50          2HD       LYS  50   9.312  -2.667  -5.357
  378   1HE   LYS  50          1HE       LYS  50  11.665  -2.314  -5.910
  379   2HE   LYS  50          2HE       LYS  50  11.154  -1.035  -4.827
  380   1HZ   LYS  50          1HZ       LYS  50  13.289  -2.145  -4.270
  381   2HZ   LYS  50          2HZ       LYS  50  12.213  -2.090  -3.042
  382    H    TYR  51           H        TYR  51   7.878  -1.060  -1.562
  383    HA   TYR  51           HA       TYR  51   5.173  -1.850  -0.740
  384   1HB   TYR  51          1HB       TYR  51   6.502   0.888  -0.323
  385   2HB   TYR  51          2HB       TYR  51   5.015   0.325   0.414
  386    HD1  TYR  51           1HD      TYR  51   5.548  -2.163   1.662
  387    HD2  TYR  51           2HD      TYR  51   8.192   1.173   1.230
  388    HE1  TYR  51           1HE      TYR  51   6.856  -2.925   3.705
  389    HE2  TYR  51           2HE      TYR  51   9.491   0.399   3.274
  390    HH   TYR  51           HH       TYR  51   9.899  -1.595   4.495
  391    H    VAL  52           H        VAL  52   3.449  -0.640  -1.797
  392    HA   VAL  52           HA       VAL  52   4.326   0.943  -4.090
  393    HB   VAL  52           HB       VAL  52   2.486  -1.454  -4.182
  394   1HG1  VAL  52          1HG1      VAL  52   3.215   0.175  -6.602
  395   2HG1  VAL  52          2HG1      VAL  52   1.825  -0.904  -6.333
  396   1HG2  VAL  52          1HG2      VAL  52   5.183  -0.881  -5.447
  397   2HG2  VAL  52          2HG2      VAL  52   4.791  -2.132  -4.243
  398    H    CYS  53           H        CYS  53   3.102   2.764  -4.359
  399    HA   CYS  53           HA       CYS  53   0.687   2.899  -2.707
  400   1HB   CYS  53          1HB       CYS  53   2.799   4.915  -3.369
  401   2HB   CYS  53          2HB       CYS  53   1.163   5.466  -3.067
  402    H    CYS  54           H        CYS  54  -1.169   4.049  -3.677
  403    HA   CYS  54           HA       CYS  54  -1.014   4.814  -6.416
  404   1HB   CYS  54          1HB       CYS  54  -3.036   3.075  -6.803
  405   2HB   CYS  54          2HB       CYS  54  -1.373   2.784  -7.273
  406    H    ASN  55           H        ASN  55  -2.997   5.963  -7.035
  407    HA   ASN  55           HA       ASN  55  -4.606   6.581  -4.688
  408   1HB   ASN  55          1HB       ASN  55  -5.117   8.739  -5.882
  409   2HB   ASN  55          2HB       ASN  55  -3.400   8.535  -5.592
  410   1HD2  ASN  55          1HD2      ASN  55  -4.040  10.286  -7.438
  411   2HD2  ASN  55          2HD2      ASN  55  -3.743   9.722  -9.049
  412    H    THR  56           H        THR  56  -5.705   4.410  -5.490
  413    HA   THR  56           HA       THR  56  -7.943   5.171  -7.188
  414    HB   THR  56           HB       THR  56  -7.618   3.157  -8.617
  415    HG1  THR  56           1HG      THR  56  -6.427   1.745  -7.322
  416   1HG2  THR  56          1HG2      THR  56  -5.733   3.878  -9.908
  417   2HG2  THR  56          2HG2      THR  56  -6.316   5.374  -9.140
  418    H    ASP  57           H        ASP  57  -9.784   3.782  -6.934
  419    HA   ASP  57           HA       ASP  57 -10.148   2.961  -4.222
  420   1HB   ASP  57          1HB       ASP  57 -11.707   3.021  -6.747
  421   2HB   ASP  57          2HB       ASP  57 -12.203   1.780  -5.576
  422    HD2  ASP  57           HD       ASP  57 -13.652   5.165  -4.909
  423    H    LYS  58           H        LYS  58  -9.580   1.106  -3.220
  424    HA   LYS  58           HA       LYS  58  -8.876  -0.962  -2.907
  425   1HB   LYS  58          1HB       LYS  58 -10.661  -1.445  -5.303
  426   2HB   LYS  58          2HB       LYS  58  -9.876  -2.745  -4.429
  427   1HG   LYS  58          1HG       LYS  58 -10.972  -2.031  -2.321
  428   2HG   LYS  58          2HG       LYS  58 -11.699  -0.661  -3.136
  429   1HD   LYS  58          1HD       LYS  58 -12.822  -2.343  -4.726
  430   2HD   LYS  58          2HD       LYS  58 -12.256  -3.614  -3.661
  431   1HE   LYS  58          1HE       LYS  58 -14.013  -1.275  -2.775
  432   2HE   LYS  58          2HE       LYS  58 -14.615  -2.875  -3.161
  433   1HZ   LYS  58          1HZ       LYS  58 -13.590  -3.767  -1.332
  434   2HZ   LYS  58          2HZ       LYS  58 -12.493  -2.566  -1.184
  435    H    CYS  59           H        CYS  59  -6.893   0.551  -3.818
  436    HA   CYS  59           HA       CYS  59  -5.789  -0.709  -6.182
  437   1HB   CYS  59          1HB       CYS  59  -4.567   1.141  -6.477
  438   2HB   CYS  59          2HB       CYS  59  -5.763   1.862  -5.418
  439    H    ASN  60           H        ASN  60  -5.150  -0.191  -2.655
  440    HA   ASN  60           HA       ASN  60  -2.823  -1.807  -2.738
  441   1HB   ASN  60          1HB       ASN  60  -2.681  -1.367  -0.364
  442   2HB   ASN  60          2HB       ASN  60  -3.302   0.105  -1.083
  443   1HD2  ASN  60          1HD2      ASN  60  -3.591  -0.654   1.610
  444   2HD2  ASN  60          2HD2      ASN  60  -5.271  -0.871   1.969
  445   1H    HOH  61          1H        HOH  61   4.467 -10.510   2.421
  446   2H    HOH  61          2H        HOH  61   5.154 -11.806   2.049
  447   1H    HOH  62          1H        HOH  62   6.606 -16.418  -8.466
  448   2H    HOH  62          2H        HOH  62   7.239 -17.573  -9.213
  Start of MODEL   14
    1    H    LEU   1           H        LEU   1  -9.700   8.357   0.068
    2    HA   LEU   1           HA       LEU   1 -11.369   7.410  -1.109
    3   1HB   LEU   1          1HB       LEU   1  -8.737   6.547  -2.162
    4   2HB   LEU   1          2HB       LEU   1 -10.144   5.748  -2.836
    5    HG   LEU   1           HG       LEU   1  -9.365   7.707  -4.147
    6   1HD1  LEU   1          1HD1      LEU   1 -11.719   8.875  -4.115
    7   2HD1  LEU   1          2HD1      LEU   1 -11.538   7.196  -4.678
    8   1HD2  LEU   1          1HD2      LEU   1  -8.970   8.958  -1.780
    9   2HD2  LEU   1          2HD2      LEU   1  -9.131   9.796  -3.341
   10    H    LYS   2           H        LYS   2 -12.140   5.105  -2.144
   11    HA   LYS   2           HA       LYS   2 -12.421   3.429   0.210
   12   1HB   LYS   2          1HB       LYS   2 -14.453   4.110  -0.915
   13   2HB   LYS   2          2HB       LYS   2 -13.869   3.502  -2.451
   14   1HG   LYS   2          1HG       LYS   2 -14.419   1.341  -1.943
   15   2HG   LYS   2          2HG       LYS   2 -13.758   1.456  -0.324
   16   1HD   LYS   2          1HD       LYS   2 -16.032   3.109  -0.221
   17   2HD   LYS   2          2HD       LYS   2 -16.546   1.773  -1.231
   18   1HE   LYS   2          1HE       LYS   2 -15.094   0.577   0.905
   19   2HE   LYS   2          2HE       LYS   2 -16.074   1.821   1.655
   20   1HZ   LYS   2          1HZ       LYS   2 -18.003   0.887   0.725
   21   2HZ   LYS   2          2HZ       LYS   2 -17.169  -0.121  -0.252
   22    H    CYS   3           H        CYS   3 -10.823   1.968   0.535
   23    HA   CYS   3           HA       CYS   3 -10.030   0.412  -1.814
   24   1HB   CYS   3          1HB       CYS   3  -8.262   1.652   0.285
   25   2HB   CYS   3          2HB       CYS   3  -7.756   0.231  -0.607
   26    H    LYS   4           H        LYS   4  -8.585  -1.591  -0.654
   27    HA   LYS   4           HA       LYS   4 -10.563  -2.812   1.090
   28   1HB   LYS   4          1HB       LYS   4  -8.427  -3.793  -0.756
   29   2HB   LYS   4          2HB       LYS   4  -8.855  -4.807   0.607
   30   1HG   LYS   4          1HG       LYS   4 -11.137  -3.634  -0.954
   31   2HG   LYS   4          2HG       LYS   4 -10.193  -4.869  -1.762
   32   1HD   LYS   4          1HD       LYS   4 -10.508  -6.350   0.292
   33   2HD   LYS   4          2HD       LYS   4 -11.596  -5.136   0.937
   34   1HE   LYS   4          1HE       LYS   4 -12.599  -5.496  -1.637
   35   2HE   LYS   4          2HE       LYS   4 -12.047  -7.110  -1.236
   36   1HZ   LYS   4          1HZ       LYS   4 -13.379  -5.969   0.953
   37   2HZ   LYS   4          2HZ       LYS   4 -14.334  -5.895  -0.369
   38    H    LYS   5           H        LYS   5 -10.043  -3.729   3.141
   39    HA   LYS   5           HA       LYS   5  -7.980  -2.247   4.490
   40   1HB   LYS   5          1HB       LYS   5 -10.253  -4.029   5.302
   41   2HB   LYS   5          2HB       LYS   5  -8.950  -3.744   6.439
   42   1HG   LYS   5          1HG       LYS   5 -10.453  -1.504   5.009
   43   2HG   LYS   5          2HG       LYS   5 -10.893  -2.099   6.597
   44   1HD   LYS   5          1HD       LYS   5  -8.009  -1.438   6.335
   45   2HD   LYS   5          2HD       LYS   5  -9.067  -0.061   6.096
   46   1HE   LYS   5          1HE       LYS   5  -9.806  -0.065   8.289
   47   2HE   LYS   5          2HE       LYS   5  -9.773  -1.812   8.414
   48   1HZ   LYS   5          1HZ       LYS   5  -7.501  -1.786   8.797
   49   2HZ   LYS   5          2HZ       LYS   5  -7.298  -0.260   8.252
   50    H    LEU   6           H        LEU   6  -7.025  -4.003   6.409
   51    HA   LEU   6           HA       LEU   6  -4.858  -5.116   5.247
   52   1HB   LEU   6          1HB       LEU   6  -6.334  -5.559   7.785
   53   2HB   LEU   6          2HB       LEU   6  -5.137  -6.761   7.344
   54    HG   LEU   6           HG       LEU   6  -3.637  -4.572   6.971
   55   1HD1  LEU   6          1HD1      LEU   6  -4.815  -3.510   9.407
   56   2HD1  LEU   6          2HD1      LEU   6  -4.343  -2.681   7.904
   57   1HD2  LEU   6          1HD2      LEU   6  -3.275  -6.581   8.473
   58   2HD2  LEU   6          2HD2      LEU   6  -2.585  -5.040   9.036
   59    H    VAL   7           H        VAL   7  -7.668  -7.133   6.371
   60    HA   VAL   7           HA       VAL   7  -6.852  -9.185   4.508
   61    HB   VAL   7           HB       VAL   7  -9.073  -9.018   6.553
   62   1HG1  VAL   7          1HG1      VAL   7  -9.717 -11.165   6.070
   63   2HG1  VAL   7          2HG1      VAL   7  -9.222 -10.636   4.444
   64   1HG2  VAL   7          1HG2      VAL   7  -7.059 -10.982   7.134
   65   2HG2  VAL   7          2HG2      VAL   7  -6.275  -9.410   6.845
   66    HA   PRO   8           HA       PRO   8  -9.640  -7.867   1.462
   67   1HB   PRO   8          1HB       PRO   8  -9.504 -10.023  -0.212
   68   2HB   PRO   8          2HB       PRO   8  -8.318  -8.733  -0.213
   69   1HG   PRO   8          1HG       PRO   8  -8.076 -11.470   0.876
   70   2HG   PRO   8          2HG       PRO   8  -6.806 -10.329   0.482
   71   1HD   PRO   8          1HD       PRO   8  -7.782 -10.976   3.101
   72   2HD   PRO   8          2HD       PRO   8  -6.594  -9.753   2.698
   73    H    LEU   9           H        LEU   9 -11.020  -8.391   3.645
   74    HA   LEU   9           HA       LEU   9 -13.078 -10.232   2.639
   75   1HB   LEU   9          1HB       LEU   9 -11.909  -9.817   5.349
   76   2HB   LEU   9          2HB       LEU   9 -13.616 -10.199   5.240
   77    HG   LEU   9           HG       LEU   9 -11.420 -11.883   4.006
   78   1HD1  LEU   9          1HD1      LEU   9 -11.020 -12.829   5.971
   79   2HD1  LEU   9          2HD1      LEU   9 -12.046 -11.593   6.738
   80   1HD2  LEU   9          1HD2      LEU   9 -13.944 -13.200   4.598
   81   2HD2  LEU   9          2HD2      LEU   9 -14.150 -11.839   3.471
   82    H    PHE  10           H        PHE  10 -12.268  -7.083   4.118
   83    HA   PHE  10           HA       PHE  10 -14.932  -6.184   3.325
   84   1HB   PHE  10          1HB       PHE  10 -13.487  -5.328   5.888
   85   2HB   PHE  10          2HB       PHE  10 -15.174  -5.067   5.492
   86    HD1  PHE  10           1HD      PHE  10 -16.809  -6.836   5.782
   87    HD2  PHE  10           2HD      PHE  10 -12.717  -7.501   6.689
   88    HE1  PHE  10           1HE      PHE  10 -17.424  -8.927   7.028
   89    HE2  PHE  10           2HE      PHE  10 -13.332  -9.591   7.934
   90    HZ   PHE  10           HZ       PHE  10 -15.679 -10.279   8.089
   91    H    SER  11           H        SER  11 -15.058  -3.775   3.094
   92    HA   SER  11           HA       SER  11 -12.420  -2.760   2.378
   93   1HB   SER  11          1HB       SER  11 -13.806  -1.190   0.856
   94   2HB   SER  11          2HB       SER  11 -13.668  -2.868   0.371
   95    HG   SER  11           HG       SER  11 -15.855  -2.255   0.194
   96    H    LYS  12           H        LYS  12 -11.980  -0.468   2.834
   97    HA   LYS  12           HA       LYS  12 -13.904   0.889   4.523
   98   1HB   LYS  12          1HB       LYS  12 -12.355  -0.642   5.937
   99   2HB   LYS  12          2HB       LYS  12 -11.102   0.527   5.575
  100   1HG   LYS  12          1HG       LYS  12 -11.937   1.506   7.500
  101   2HG   LYS  12          2HG       LYS  12 -12.995   2.280   6.336
  102   1HD   LYS  12          1HD       LYS  12 -14.847   1.017   6.955
  103   2HD   LYS  12          2HD       LYS  12 -13.890  -0.393   7.362
  104   1HE   LYS  12          1HE       LYS  12 -13.249   0.508   9.492
  105   2HE   LYS  12          2HE       LYS  12 -13.726   2.135   9.046
  106   1HZ   LYS  12          1HZ       LYS  12 -15.553   1.542  10.161
  107   2HZ   LYS  12          2HZ       LYS  12 -16.011   0.869   8.745
  108    H    THR  13           H        THR  13 -13.483   3.189   4.679
  109    HA   THR  13           HA       THR  13 -11.827   4.097   2.439
  110    HB   THR  13           HB       THR  13 -14.208   5.205   3.989
  111    HG1  THR  13           1HG      THR  13 -13.491   4.806   1.171
  112   1HG2  THR  13          1HG2      THR  13 -12.076   6.762   2.813
  113   2HG2  THR  13          2HG2      THR  13 -13.479   6.840   1.721
  114    H    CYS  14           H        CYS  14  -9.840   4.833   2.800
  115    HA   CYS  14           HA       CYS  14  -8.653   5.021   5.211
  116   1HB   CYS  14          1HB       CYS  14  -7.983   6.897   2.946
  117   2HB   CYS  14          2HB       CYS  14  -6.910   6.266   4.178
  118    HA   PRO  15           HA       PRO  15 -10.412   8.589   7.009
  119   1HB   PRO  15          1HB       PRO  15  -8.663   8.987   9.070
  120   2HB   PRO  15          2HB       PRO  15  -9.970   7.822   9.134
  121   1HG   PRO  15          1HG       PRO  15  -7.076   7.342   8.768
  122   2HG   PRO  15          2HG       PRO  15  -8.323   6.211   9.254
  123   1HD   PRO  15          1HD       PRO  15  -7.102   6.412   6.666
  124   2HD   PRO  15          2HD       PRO  15  -8.429   5.361   7.120
  125    H    ALA  16           H        ALA  16 -10.037  10.894   7.634
  126    HA   ALA  16           HA       ALA  16  -8.934  12.240   5.549
  127   1HB   ALA  16          1HB       ALA  16 -10.197  12.850   7.944
  128   2HB   ALA  16          2HB       ALA  16  -8.602  13.619   8.127
  129    H    GLY  17           H        GLY  17  -6.920  13.290   5.128
  130   1HA   GLY  17          1HA       GLY  17  -4.702  13.810   5.608
  131   2HA   GLY  17          2HA       GLY  17  -4.686  12.629   6.903
  132    H    LYS  18           H        LYS  18  -5.630  10.294   5.724
  133    HA   LYS  18           HA       LYS  18  -3.466   9.758   3.840
  134   1HB   LYS  18          1HB       LYS  18  -5.180   7.648   5.124
  135   2HB   LYS  18          2HB       LYS  18  -3.526   7.541   4.557
  136   1HG   LYS  18          1HG       LYS  18  -4.374   9.300   6.903
  137   2HG   LYS  18          2HG       LYS  18  -3.809   7.653   7.098
  138   1HD   LYS  18          1HD       LYS  18  -1.612   8.171   6.406
  139   2HD   LYS  18          2HD       LYS  18  -2.116   9.584   5.501
  140   1HE   LYS  18          1HE       LYS  18  -2.638   9.653   8.456
  141   2HE   LYS  18          2HE       LYS  18  -0.957   9.729   7.967
  142   1HZ   LYS  18          1HZ       LYS  18  -1.872  11.906   8.059
  143   2HZ   LYS  18          2HZ       LYS  18  -1.570  11.559   6.492
  144    H    ASN  19           H        ASN  19  -4.197  10.443   1.838
  145    HA   ASN  19           HA       ASN  19  -6.796   9.404   1.051
  146   1HB   ASN  19          1HB       ASN  19  -5.130  11.789   0.250
  147   2HB   ASN  19          2HB       ASN  19  -6.131  11.073  -0.998
  148   1HD2  ASN  19          1HD2      ASN  19  -7.439  12.879  -1.107
  149   2HD2  ASN  19          2HD2      ASN  19  -8.626  13.269   0.093
  150    H    LEU  20           H        LEU  20  -3.903   8.142   1.170
  151    HA   LEU  20           HA       LEU  20  -3.918   7.207  -1.612
  152   1HB   LEU  20          1HB       LEU  20  -1.594   8.068   0.092
  153   2HB   LEU  20          2HB       LEU  20  -1.387   6.936  -1.229
  154    HG   LEU  20           HG       LEU  20  -2.663   9.645  -1.632
  155   1HD1  LEU  20          1HD1      LEU  20   0.113   9.054  -1.021
  156   2HD1  LEU  20          2HD1      LEU  20  -0.063   9.796  -2.630
  157   1HD2  LEU  20          1HD2      LEU  20  -1.982   9.309  -3.965
  158   2HD2  LEU  20          2HD2      LEU  20  -1.310   7.716  -3.540
  159    H    CYS  21           H        CYS  21  -3.961   5.011  -1.863
  160    HA   CYS  21           HA       CYS  21  -4.081   3.493   0.605
  161   1HB   CYS  21          1HB       CYS  21  -4.696   2.543  -2.196
  162   2HB   CYS  21          2HB       CYS  21  -5.108   1.754  -0.686
  163    H    TYR  22           H        TYR  22  -2.497   1.985   1.173
  164    HA   TYR  22           HA       TYR  22  -0.414   1.465  -0.834
  165   1HB   TYR  22          1HB       TYR  22   1.221   2.016   0.836
  166   2HB   TYR  22          2HB       TYR  22  -0.028   3.202   1.162
  167    HD1  TYR  22           1HD      TYR  22   1.174  -0.174   2.222
  168    HD2  TYR  22           2HD      TYR  22  -1.009   3.345   3.295
  169    HE1  TYR  22           1HE      TYR  22   1.002  -1.003   4.619
  170    HE2  TYR  22           2HE      TYR  22  -1.174   2.504   5.688
  171    HH   TYR  22           HH       TYR  22  -0.689   0.932   7.078
  172    H    LYS  23           H        LYS  23   0.845  -0.538  -0.405
  173    HA   LYS  23           HA       LYS  23  -0.409  -2.384   1.448
  174   1HB   LYS  23          1HB       LYS  23  -0.648  -4.115  -0.336
  175   2HB   LYS  23          2HB       LYS  23  -1.771  -2.777  -0.471
  176   1HG   LYS  23          1HG       LYS  23  -0.810  -1.974  -2.415
  177   2HG   LYS  23          2HG       LYS  23   0.814  -2.411  -1.925
  178   1HD   LYS  23          1HD       LYS  23   0.517  -4.018  -3.562
  179   2HD   LYS  23          2HD       LYS  23  -0.151  -4.910  -2.210
  180   1HE   LYS  23          1HE       LYS  23  -2.389  -3.543  -3.006
  181   2HE   LYS  23          2HE       LYS  23  -1.556  -3.662  -4.543
  182   1HZ   LYS  23          1HZ       LYS  23  -1.595  -6.078  -2.996
  183   2HZ   LYS  23          2HZ       LYS  23  -3.056  -5.583  -3.532
  184    H    MET  24           H        MET  24   1.106  -3.652   2.426
  185    HA   MET  24           HA       MET  24   3.775  -3.477   1.268
  186   1HB   MET  24          1HB       MET  24   2.826  -4.065   4.128
  187   2HB   MET  24          2HB       MET  24   4.509  -4.033   3.643
  188   1HG   MET  24          1HG       MET  24   4.483  -1.685   3.231
  189   2HG   MET  24          2HG       MET  24   2.737  -1.629   3.092
  190   1HE   MET  24          1HE       MET  24   5.719  -2.278   5.020
  191   2HE   MET  24          2HE       MET  24   5.539  -0.878   6.104
  192    H    PHE  25           H        PHE  25   4.940  -5.343   0.771
  193    HA   PHE  25           HA       PHE  25   3.898  -7.885   1.694
  194   1HB   PHE  25          1HB       PHE  25   3.885  -8.697  -0.712
  195   2HB   PHE  25          2HB       PHE  25   2.701  -7.433  -0.444
  196    HD1  PHE  25           1HD      PHE  25   2.643  -5.626  -1.889
  197    HD2  PHE  25           2HD      PHE  25   6.229  -7.872  -1.572
  198    HE1  PHE  25           1HE      PHE  25   3.646  -4.288  -3.762
  199    HE2  PHE  25           2HE      PHE  25   7.232  -6.534  -3.445
  200    HZ   PHE  25           HZ       PHE  25   5.929  -4.759  -4.517
  201    H    MET  26           H        MET  26   5.458  -9.607   1.569
  202    HA   MET  26           HA       MET  26   8.138  -8.569   1.459
  203   1HB   MET  26          1HB       MET  26   6.840 -11.186   2.359
  204   2HB   MET  26          2HB       MET  26   8.583 -11.050   2.246
  205   1HG   MET  26          1HG       MET  26   8.519  -9.076   3.804
  206   2HG   MET  26          2HG       MET  26   6.780  -9.246   3.934
  207   1HE   MET  26          1HE       MET  26   8.481  -8.940   6.056
  208   2HE   MET  26          2HE       MET  26   7.759 -10.070   7.226
  209    H    VAL  27           H        VAL  27   9.730  -9.164  -0.036
  210    HA   VAL  27           HA       VAL  27   8.887  -9.994  -2.553
  211    HB   VAL  27           HB       VAL  27  11.491  -9.573  -1.158
  212   1HG1  VAL  27          1HG1      VAL  27  12.227 -11.427  -2.350
  213   2HG1  VAL  27          2HG1      VAL  27  11.117 -11.127  -3.709
  214   1HG2  VAL  27          1HG2      VAL  27  11.616  -7.682  -2.416
  215   2HG2  VAL  27          2HG2      VAL  27  10.873  -8.446  -3.842
  216    H    ALA  28           H        ALA  28   9.371 -11.786   0.342
  217    HA   ALA  28           HA       ALA  28  10.502 -14.111  -0.253
  218   1HB   ALA  28          1HB       ALA  28   9.487 -13.754   1.884
  219   2HB   ALA  28          2HB       ALA  28   7.871 -13.564   1.164
  220    H    ALA  29           H        ALA  29   7.289 -12.997  -1.442
  221    HA   ALA  29           HA       ALA  29   7.520 -14.925  -3.597
  222   1HB   ALA  29          1HB       ALA  29   4.832 -15.134  -2.815
  223   2HB   ALA  29          2HB       ALA  29   6.093 -16.377  -2.635
  224    HA   PRO  30           HA       PRO  30   5.803 -11.539  -5.674
  225   1HB   PRO  30          1HB       PRO  30   4.989 -12.720  -8.000
  226   2HB   PRO  30          2HB       PRO  30   6.651 -12.257  -7.690
  227   1HG   PRO  30          1HG       PRO  30   5.443 -14.955  -7.668
  228   2HG   PRO  30          2HG       PRO  30   7.134 -14.511  -7.784
  229   1HD   PRO  30          1HD       PRO  30   5.778 -15.510  -5.462
  230   2HD   PRO  30          2HD       PRO  30   7.439 -14.956  -5.550
  231    H    HIS  31           H        HIS  31   3.997 -13.905  -4.326
  232    HA   HIS  31           HA       HIS  31   1.652 -12.251  -4.623
  233   1HB   HIS  31          1HB       HIS  31   1.896 -14.273  -6.412
  234   2HB   HIS  31          2HB       HIS  31   1.127 -15.135  -5.095
  235    HD1  HIS  31           1HD      HIS  31   0.413 -12.854  -7.886
  236    HD2  HIS  31           2HD      HIS  31  -1.452 -13.951  -4.292
  237    HE1  HIS  31           1HE      HIS  31  -2.017 -12.100  -8.082
  238    H    VAL  32           H        VAL  32   2.895 -12.123  -2.364
  239    HA   VAL  32           HA       VAL  32   1.247 -13.623  -0.563
  240    HB   VAL  32           HB       VAL  32   4.222 -14.099  -0.735
  241   1HG1  VAL  32          1HG1      VAL  32   2.335 -14.762   1.550
  242   2HG1  VAL  32          2HG1      VAL  32   3.997 -15.375   1.383
  243   1HG2  VAL  32          1HG2      VAL  32   3.421 -16.512  -0.615
  244   2HG2  VAL  32          2HG2      VAL  32   1.779 -15.882  -0.887
  245    HA   PRO  33           HA       PRO  33   2.267  -9.465   0.764
  246   1HB   PRO  33          1HB       PRO  33  -0.273  -8.704   1.426
  247   2HB   PRO  33          2HB       PRO  33   0.434  -8.415  -0.151
  248   1HG   PRO  33          1HG       PRO  33  -1.585 -10.426   0.634
  249   2HG   PRO  33          2HG       PRO  33  -1.185  -9.840  -0.968
  250   1HD   PRO  33          1HD       PRO  33  -0.409 -12.349   0.184
  251   2HD   PRO  33          2HD       PRO  33   0.086 -11.713  -1.372
  252    H    VAL  34           H        VAL  34   2.333  -8.394   2.836
  253    HA   VAL  34           HA       VAL  34   2.077 -10.440   4.904
  254    HB   VAL  34           HB       VAL  34   4.250  -9.341   4.543
  255   1HG1  VAL  34          1HG1      VAL  34   3.512  -7.153   3.780
  256   2HG1  VAL  34          2HG1      VAL  34   2.779  -6.815   5.367
  257   1HG2  VAL  34          1HG2      VAL  34   3.824  -8.219   7.154
  258   2HG2  VAL  34          2HG2      VAL  34   2.866  -9.711   6.994
  259    H    LYS  35           H        LYS  35   1.143  -7.051   4.074
  260    HA   LYS  35           HA       LYS  35  -1.361  -7.296   5.269
  261   1HB   LYS  35          1HB       LYS  35  -1.158  -6.015   7.284
  262   2HB   LYS  35          2HB       LYS  35  -0.035  -7.357   7.370
  263   1HG   LYS  35          1HG       LYS  35   1.500  -5.754   7.932
  264   2HG   LYS  35          2HG       LYS  35   1.574  -5.457   6.206
  265   1HD   LYS  35          1HD       LYS  35   0.087  -3.586   6.338
  266   2HD   LYS  35          2HD       LYS  35  -0.502  -4.050   7.922
  267   1HE   LYS  35          1HE       LYS  35   2.380  -3.194   7.374
  268   2HE   LYS  35          2HE       LYS  35   1.132  -2.098   7.934
  269   1HZ   LYS  35          1HZ       LYS  35   1.239  -4.445   9.505
  270   2HZ   LYS  35          2HZ       LYS  35   2.682  -3.682   9.487
  271    H    ARG  36           H        ARG  36  -2.460  -5.090   5.337
  272    HA   ARG  36           HA       ARG  36  -1.138  -3.205   3.449
  273   1HB   ARG  36          1HB       ARG  36  -3.976  -4.294   3.362
  274   2HB   ARG  36          2HB       ARG  36  -3.423  -2.884   2.426
  275   1HG   ARG  36          1HG       ARG  36  -1.520  -4.451   1.592
  276   2HG   ARG  36          2HG       ARG  36  -2.541  -5.776   2.200
  277   1HD   ARG  36          1HD       ARG  36  -3.721  -3.640   0.419
  278   2HD   ARG  36          2HD       ARG  36  -2.800  -4.983  -0.292
  279    HE   ARG  36           HE       ARG  36  -5.431  -5.120   1.009
  280   1HH1  ARG  36          1HH1      ARG  36  -5.649  -8.550   0.215
  281   2HH1  ARG  36          2HH1      ARG  36  -6.518  -7.149   0.799
  282   1HH2  ARG  36          1HH2      ARG  36  -3.406  -8.372  -0.350
  283   2HH2  ARG  36          2HH2      ARG  36  -2.583  -6.836  -0.192
  284    H    GLY  37           H        GLY  37  -2.408  -1.030   3.415
  285   1HA   GLY  37          1HA       GLY  37  -4.005  -0.332   5.639
  286   2HA   GLY  37          2HA       GLY  37  -2.333   0.073   5.971
  287    H    CYS  38           H        CYS  38  -3.504   2.315   5.975
  288    HA   CYS  38           HA       CYS  38  -3.433   3.337   3.228
  289   1HB   CYS  38          1HB       CYS  38  -5.251   4.035   5.521
  290   2HB   CYS  38          2HB       CYS  38  -4.945   5.181   4.231
  291    H    ILE  39           H        ILE  39  -2.304   5.358   2.943
  292    HA   ILE  39           HA       ILE  39  -1.126   6.580   5.282
  293    HB   ILE  39           HB       ILE  39   0.301   4.575   4.284
  294   1HG1  ILE  39          1HG1      ILE  39   2.334   6.305   4.885
  295   2HG1  ILE  39          2HG1      ILE  39   0.972   7.120   5.629
  296   1HG2  ILE  39          1HG2      ILE  39   2.051   5.487   2.760
  297   2HG2  ILE  39          2HG2      ILE  39   0.438   5.348   2.018
  298   1HD1  ILE  39          1HD1      ILE  39   1.054   5.657   7.351
  299   2HD1  ILE  39          2HD1      ILE  39   0.689   4.328   6.225
  300    H    ASP  40           H        ASP  40   0.444   8.437   4.293
  301    HA   ASP  40           HA       ASP  40  -1.186   9.746   2.168
  302   1HB   ASP  40          1HB       ASP  40  -0.315  11.876   3.216
  303   2HB   ASP  40          2HB       ASP  40  -1.426  10.936   4.236
  304    HD2  ASP  40           HD       ASP  40   2.086  11.718   5.625
  305    H    VAL  41           H        VAL  41   2.091   9.040   3.446
  306    HA   VAL  41           HA       VAL  41   3.150   9.998   0.876
  307    HB   VAL  41           HB       VAL  41   3.876  11.303   2.818
  308   1HG1  VAL  41          1HG1      VAL  41   4.174   8.683   4.012
  309   2HG1  VAL  41          2HG1      VAL  41   5.700   9.594   4.116
  310   1HG2  VAL  41          1HG2      VAL  41   6.336  11.079   2.453
  311   2HG2  VAL  41          2HG2      VAL  41   6.026   9.586   1.535
  312    H    CYS  42           H        CYS  42   4.443   8.607  -0.333
  313    HA   CYS  42           HA       CYS  42   4.223   5.842   0.437
  314   1HB   CYS  42          1HB       CYS  42   3.865   6.903  -1.917
  315   2HB   CYS  42          2HB       CYS  42   5.612   6.831  -2.036
  316    HA   PRO  43           HA       PRO  43   8.289   6.053   2.104
  317   1HB   PRO  43          1HB       PRO  43   8.410   3.502   3.077
  318   2HB   PRO  43          2HB       PRO  43   7.693   4.833   3.964
  319   1HG   PRO  43          1HG       PRO  43   6.351   2.614   2.544
  320   2HG   PRO  43          2HG       PRO  43   5.700   3.688   3.766
  321   1HD   PRO  43          1HD       PRO  43   5.218   3.810   0.941
  322   2HD   PRO  43          2HD       PRO  43   4.663   4.951   2.149
  323    H    LYS  44           H        LYS  44  10.453   5.079   1.881
  324    HA   LYS  44           HA       LYS  44  10.856   4.520  -0.852
  325   1HB   LYS  44          1HB       LYS  44  12.460   5.686   0.678
  326   2HB   LYS  44          2HB       LYS  44  12.774   4.153   1.468
  327   1HG   LYS  44          1HG       LYS  44  14.230   3.559  -0.164
  328   2HG   LYS  44          2HG       LYS  44  12.991   3.752  -1.389
  329   1HD   LYS  44          1HD       LYS  44  13.509   6.356  -1.056
  330   2HD   LYS  44          2HD       LYS  44  15.031   5.762  -0.422
  331   1HE   LYS  44          1HE       LYS  44  15.726   4.904  -2.479
  332   2HE   LYS  44          2HE       LYS  44  14.092   4.571  -3.019
  333   1HZ   LYS  44          1HZ       LYS  44  14.516   6.403  -4.219
  334   2HZ   LYS  44          2HZ       LYS  44  13.982   7.177  -2.883
  335    H    SER  45           H        SER  45  11.528   2.568  -1.885
  336    HA   SER  45           HA       SER  45  10.465   0.256  -0.512
  337   1HB   SER  45          1HB       SER  45  10.912   1.044  -3.368
  338   2HB   SER  45          2HB       SER  45  11.054  -0.665  -3.005
  339    HG   SER  45           HG       SER  45   8.900  -0.459  -3.395
  340    H    SER  46           H        SER  46  11.725  -1.577  -0.004
  341    HA   SER  46           HA       SER  46  14.577  -1.203  -0.481
  342   1HB   SER  46          1HB       SER  46  14.995  -2.433   1.568
  343   2HB   SER  46          2HB       SER  46  13.837  -1.165   1.919
  344    HG   SER  46           HG       SER  46  12.386  -3.305   1.179
  345    H    LEU  47           H        LEU  47  15.752  -3.535  -0.323
  346    HA   LEU  47           HA       LEU  47  14.668  -5.031  -2.489
  347   1HB   LEU  47          1HB       LEU  47  17.105  -5.228  -0.749
  348   2HB   LEU  47          2HB       LEU  47  16.680  -6.535  -1.836
  349    HG   LEU  47           HG       LEU  47  16.805  -3.777  -2.978
  350   1HD1  LEU  47          1HD1      LEU  47  18.999  -4.927  -1.520
  351   2HD1  LEU  47          2HD1      LEU  47  19.403  -4.848  -3.251
  352   1HD2  LEU  47          1HD2      LEU  47  17.069  -4.829  -4.965
  353   2HD2  LEU  47          2HD2      LEU  47  18.053  -6.141  -4.273
  354    H    LEU  48           H        LEU  48  15.056  -5.524   1.067
  355    HA   LEU  48           HA       LEU  48  14.118  -8.139   1.123
  356   1HB   LEU  48          1HB       LEU  48  15.303  -6.780   2.914
  357   2HB   LEU  48          2HB       LEU  48  13.742  -6.077   3.289
  358    HG   LEU  48           HG       LEU  48  13.102  -8.713   3.402
  359   1HD1  LEU  48          1HD1      LEU  48  14.776 -10.116   3.941
  360   2HD1  LEU  48          2HD1      LEU  48  15.782  -8.932   3.074
  361   1HD2  LEU  48          1HD2      LEU  48  13.170  -6.597   5.127
  362   2HD2  LEU  48          2HD2      LEU  48  12.622  -8.239   5.540
  363    H    VAL  49           H        VAL  49  12.274  -5.132   2.020
  364    HA   VAL  49           HA       VAL  49   9.873  -6.546   1.084
  365    HB   VAL  49           HB       VAL  49  10.185  -4.441   3.234
  366   1HG1  VAL  49          1HG1      VAL  49   7.784  -4.912   3.706
  367   2HG1  VAL  49          2HG1      VAL  49   8.056  -4.164   2.114
  368   1HG2  VAL  49          1HG2      VAL  49  10.521  -6.101   4.683
  369   2HG2  VAL  49          2HG2      VAL  49   9.027  -6.907   4.148
  370    H    LYS  50           H        LYS  50   8.199  -5.166   0.071
  371    HA   LYS  50           HA       LYS  50   9.287  -2.670  -0.997
  372   1HB   LYS  50          1HB       LYS  50   8.834  -5.123  -2.482
  373   2HB   LYS  50          2HB       LYS  50   7.819  -3.832  -3.093
  374   1HG   LYS  50          1HG       LYS  50  10.040  -2.380  -2.923
  375   2HG   LYS  50          2HG       LYS  50  10.840  -3.939  -2.916
  376   1HD   LYS  50          1HD       LYS  50  10.721  -3.221  -5.222
  377   2HD   LYS  50          2HD       LYS  50   9.575  -4.534  -5.038
  378   1HE   LYS  50          1HE       LYS  50   7.863  -3.191  -5.680
  379   2HE   LYS  50          2HE       LYS  50   8.221  -2.057  -4.393
  380   1HZ   LYS  50          1HZ       LYS  50   8.459  -0.959  -6.450
  381   2HZ   LYS  50          2HZ       LYS  50   9.968  -1.150  -5.855
  382    H    TYR  51           H        TYR  51   7.639  -1.131  -1.654
  383    HA   TYR  51           HA       TYR  51   4.965  -1.819  -0.647
  384   1HB   TYR  51          1HB       TYR  51   6.323   0.917  -0.422
  385   2HB   TYR  51          2HB       TYR  51   4.970   0.323   0.520
  386    HD1  TYR  51           1HD      TYR  51   5.810  -2.185   1.640
  387    HD2  TYR  51           2HD      TYR  51   8.137   1.340   0.956
  388    HE1  TYR  51           1HE      TYR  51   7.409  -2.872   3.493
  389    HE2  TYR  51           2HE      TYR  51   9.728   0.640   2.812
  390    HH   TYR  51           HH       TYR  51  10.160  -0.795   4.362
  391    H    VAL  52           H        VAL  52   3.204  -0.754  -1.698
  392    HA   VAL  52           HA       VAL  52   3.956   0.810  -4.058
  393    HB   VAL  52           HB       VAL  52   2.195  -1.634  -3.927
  394   1HG1  VAL  52          1HG1      VAL  52   2.267   0.539  -6.039
  395   2HG1  VAL  52          2HG1      VAL  52   1.633  -1.098  -6.336
  396   1HG2  VAL  52          1HG2      VAL  52   4.737  -1.719  -4.396
  397   2HG2  VAL  52          2HG2      VAL  52   3.644  -2.580  -5.506
  398    H    CYS  53           H        CYS  53   2.776   2.660  -4.262
  399    HA   CYS  53           HA       CYS  53   0.367   2.817  -2.598
  400   1HB   CYS  53          1HB       CYS  53   2.151   5.154  -3.277
  401   2HB   CYS  53          2HB       CYS  53   0.823   5.106  -2.135
  402    H    CYS  54           H        CYS  54  -1.278   4.417  -3.507
  403    HA   CYS  54           HA       CYS  54  -0.998   5.314  -6.160
  404   1HB   CYS  54          1HB       CYS  54  -3.102   3.750  -6.794
  405   2HB   CYS  54          2HB       CYS  54  -1.440   3.409  -7.232
  406    H    ASN  55           H        ASN  55  -3.264   6.196  -6.908
  407    HA   ASN  55           HA       ASN  55  -4.808   6.840  -4.521
  408   1HB   ASN  55          1HB       ASN  55  -5.245   9.099  -5.681
  409   2HB   ASN  55          2HB       ASN  55  -3.616   8.868  -5.080
  410   1HD2  ASN  55          1HD2      ASN  55  -1.926   8.380  -6.507
  411   2HD2  ASN  55          2HD2      ASN  55  -2.008   8.740  -8.199
  412    H    THR  56           H        THR  56  -5.806   4.725  -5.706
  413    HA   THR  56           HA       THR  56  -7.992   5.724  -7.366
  414    HB   THR  56           HB       THR  56  -7.598   3.685  -8.883
  415    HG1  THR  56           1HG      THR  56  -5.009   3.924  -7.525
  416   1HG2  THR  56          1HG2      THR  56  -5.273   5.676  -8.729
  417   2HG2  THR  56          2HG2      THR  56  -5.699   4.673 -10.136
  418    H    ASP  57           H        ASP  57  -9.885   4.450  -7.267
  419    HA   ASP  57           HA       ASP  57 -10.333   3.271  -4.708
  420   1HB   ASP  57          1HB       ASP  57 -11.844   3.736  -7.226
  421   2HB   ASP  57          2HB       ASP  57 -12.423   2.394  -6.214
  422    HD2  ASP  57           HD       ASP  57 -13.957   5.477  -5.056
  423    H    LYS  58           H        LYS  58  -9.724   1.307  -3.984
  424    HA   LYS  58           HA       LYS  58  -9.219  -0.842  -3.946
  425   1HB   LYS  58          1HB       LYS  58 -11.421  -0.699  -5.633
  426   2HB   LYS  58          2HB       LYS  58 -10.275  -1.650  -6.555
  427   1HG   LYS  58          1HG       LYS  58  -9.899  -2.978  -4.320
  428   2HG   LYS  58          2HG       LYS  58 -11.387  -2.222  -3.786
  429   1HD   LYS  58          1HD       LYS  58 -11.765  -3.262  -6.474
  430   2HD   LYS  58          2HD       LYS  58 -11.094  -4.525  -5.462
  431   1HE   LYS  58          1HE       LYS  58 -12.929  -3.724  -3.714
  432   2HE   LYS  58          2HE       LYS  58 -13.697  -3.012  -5.118
  433   1HZ   LYS  58          1HZ       LYS  58 -14.552  -5.116  -5.058
  434   2HZ   LYS  58          2HZ       LYS  58 -13.333  -5.317  -6.126
  435    H    CYS  59           H        CYS  59  -7.144   0.737  -4.524
  436    HA   CYS  59           HA       CYS  59  -5.929  -0.249  -6.967
  437   1HB   CYS  59          1HB       CYS  59  -4.584   1.560  -6.935
  438   2HB   CYS  59          2HB       CYS  59  -5.913   2.212  -5.997
  439    H    ASN  60           H        ASN  60  -5.445  -0.127  -3.375
  440    HA   ASN  60           HA       ASN  60  -3.207  -1.886  -3.582
  441   1HB   ASN  60          1HB       ASN  60  -2.953  -1.533  -1.223
  442   2HB   ASN  60          2HB       ASN  60  -3.561  -0.003  -1.822
  443   1HD2  ASN  60          1HD2      ASN  60  -3.763  -0.837   0.825
  444   2HD2  ASN  60          2HD2      ASN  60  -5.427  -1.059   1.250
  445   1H    HOH  61          1H        HOH  61   5.496 -11.174   2.847
  446   2H    HOH  61          2H        HOH  61   4.310 -10.710   2.031
  447   1H    HOH  62          1H        HOH  62   5.321 -17.567  -4.772
  448   2H    HOH  62          2H        HOH  62   4.899 -17.194  -3.367
  Start of MODEL   15
    1    H    LEU   1           H        LEU   1 -12.765   7.685  -1.676
    2    HA   LEU   1           HA       LEU   1 -10.340   6.216  -2.395
    3   1HB   LEU   1          1HB       LEU   1 -11.021   7.973  -0.035
    4   2HB   LEU   1          2HB       LEU   1  -9.534   7.057  -0.181
    5    HG   LEU   1           HG       LEU   1 -10.245   8.913  -2.414
    6   1HD1  LEU   1          1HD1      LEU   1  -9.475   9.784   0.362
    7   2HD1  LEU   1          2HD1      LEU   1  -8.986  10.727  -1.067
    8   1HD2  LEU   1          1HD2      LEU   1  -7.536   8.731  -1.191
    9   2HD2  LEU   1          2HD2      LEU   1  -8.150   7.302  -2.055
   10    H    LYS   2           H        LYS   2 -11.834   4.263  -2.586
   11    HA   LYS   2           HA       LYS   2 -12.269   3.149   0.098
   12   1HB   LYS   2          1HB       LYS   2 -14.267   3.649  -1.559
   13   2HB   LYS   2          2HB       LYS   2 -13.754   2.152  -2.310
   14   1HG   LYS   2          1HG       LYS   2 -14.159   0.872  -0.339
   15   2HG   LYS   2          2HG       LYS   2 -14.139   2.285   0.697
   16   1HD   LYS   2          1HD       LYS   2 -16.318   2.920   0.127
   17   2HD   LYS   2          2HD       LYS   2 -16.233   2.192  -1.465
   18   1HE   LYS   2          1HE       LYS   2 -17.614   0.644  -0.407
   19   2HE   LYS   2          2HE       LYS   2 -16.056  -0.088  -0.080
   20   1HZ   LYS   2          1HZ       LYS   2 -16.041   0.942   2.056
   21   2HZ   LYS   2          2HZ       LYS   2 -17.422   1.760   1.751
   22    H    CYS   3           H        CYS   3 -10.666   1.761   0.603
   23    HA   CYS   3           HA       CYS   3  -9.748   0.013  -1.560
   24   1HB   CYS   3          1HB       CYS   3  -8.146   1.594   0.415
   25   2HB   CYS   3          2HB       CYS   3  -7.542   0.041  -0.126
   26    H    LYS   4           H        LYS   4  -8.328  -1.860  -0.224
   27    HA   LYS   4           HA       LYS   4 -10.299  -2.924   1.644
   28   1HB   LYS   4          1HB       LYS   4  -8.120  -4.177  -0.034
   29   2HB   LYS   4          2HB       LYS   4  -8.920  -5.055   1.254
   30   1HG   LYS   4          1HG       LYS   4 -11.075  -3.928  -0.108
   31   2HG   LYS   4          2HG       LYS   4  -9.952  -4.263  -1.412
   32   1HD   LYS   4          1HD       LYS   4 -10.237  -6.522  -1.234
   33   2HD   LYS   4          2HD       LYS   4 -10.105  -6.493   0.513
   34   1HE   LYS   4          1HE       LYS   4 -12.454  -5.813   0.744
   35   2HE   LYS   4          2HE       LYS   4 -12.611  -5.604  -0.989
   36   1HZ   LYS   4          1HZ       LYS   4 -13.180  -7.714  -1.068
   37   2HZ   LYS   4          2HZ       LYS   4 -11.674  -8.149  -0.611
   38    H    LYS   5           H        LYS   5  -9.675  -3.779   3.713
   39    HA   LYS   5           HA       LYS   5  -7.485  -2.270   4.847
   40   1HB   LYS   5          1HB       LYS   5  -9.786  -3.867   5.954
   41   2HB   LYS   5          2HB       LYS   5  -8.435  -3.430   6.980
   42   1HG   LYS   5          1HG       LYS   5  -9.862  -1.349   5.278
   43   2HG   LYS   5          2HG       LYS   5 -10.460  -1.790   6.865
   44   1HD   LYS   5          1HD       LYS   5  -7.884  -1.366   7.552
   45   2HD   LYS   5          2HD       LYS   5  -7.918  -0.351   6.123
   46   1HE   LYS   5          1HE       LYS   5 -10.326   0.201   7.590
   47   2HE   LYS   5          2HE       LYS   5  -9.015   0.192   8.753
   48   1HZ   LYS   5          1HZ       LYS   5  -8.788   2.270   7.995
   49   2HZ   LYS   5          2HZ       LYS   5  -7.907   1.570   6.812
   50    H    LEU   6           H        LEU   6  -6.542  -3.897   6.870
   51    HA   LEU   6           HA       LEU   6  -4.523  -5.269   5.726
   52   1HB   LEU   6          1HB       LEU   6  -5.897  -5.377   8.357
   53   2HB   LEU   6          2HB       LEU   6  -4.804  -6.693   7.978
   54    HG   LEU   6           HG       LEU   6  -3.299  -4.479   7.304
   55   1HD1  LEU   6          1HD1      LEU   6  -5.399  -3.569   9.048
   56   2HD1  LEU   6          2HD1      LEU   6  -3.827  -3.440   9.872
   57   1HD2  LEU   6          1HD2      LEU   6  -2.748  -6.595   8.629
   58   2HD2  LEU   6          2HD2      LEU   6  -1.909  -5.095   9.090
   59    H    VAL   7           H        VAL   7  -7.424  -6.950   7.136
   60    HA   VAL   7           HA       VAL   7  -6.824  -9.256   5.522
   61    HB   VAL   7           HB       VAL   7  -9.110  -8.660   7.412
   62   1HG1  VAL   7          1HG1      VAL   7  -9.141 -10.604   5.566
   63   2HG1  VAL   7          2HG1      VAL   7  -8.205 -11.442   6.828
   64   1HG2  VAL   7          1HG2      VAL   7  -6.787 -10.438   8.094
   65   2HG2  VAL   7          2HG2      VAL   7  -6.613  -8.673   8.245
   66    HA   PRO   8           HA       PRO   8  -9.392  -7.970   2.264
   67   1HB   PRO   8          1HB       PRO   8  -9.258 -10.230   0.734
   68   2HB   PRO   8          2HB       PRO   8  -8.032  -8.978   0.703
   69   1HG   PRO   8          1HG       PRO   8  -7.924 -11.648   1.968
   70   2HG   PRO   8          2HG       PRO   8  -6.602 -10.573   1.560
   71   1HD   PRO   8          1HD       PRO   8  -7.704 -11.024   4.169
   72   2HD   PRO   8          2HD       PRO   8  -6.461  -9.865   3.742
   73    H    LEU   9           H        LEU   9 -10.878  -8.309   4.411
   74    HA   LEU   9           HA       LEU   9 -12.952 -10.149   3.435
   75   1HB   LEU   9          1HB       LEU   9 -11.855  -9.625   6.148
   76   2HB   LEU   9          2HB       LEU   9 -13.580  -9.903   6.019
   77    HG   LEU   9           HG       LEU   9 -11.543 -11.811   4.856
   78   1HD1  LEU   9          1HD1      LEU   9 -12.082 -11.291   7.635
   79   2HD1  LEU   9          2HD1      LEU   9 -12.631 -12.929   7.204
   80   1HD2  LEU   9          1HD2      LEU   9 -14.168 -11.688   4.326
   81   2HD2  LEU   9          2HD2      LEU   9 -13.259 -13.217   4.400
   82    H    PHE  10           H        PHE  10 -12.101  -6.939   4.752
   83    HA   PHE  10           HA       PHE  10 -14.679  -5.999   3.759
   84   1HB   PHE  10          1HB       PHE  10 -13.384  -5.114   6.396
   85   2HB   PHE  10          2HB       PHE  10 -15.013  -4.757   5.858
   86    HD1  PHE  10           1HD      PHE  10 -12.881  -7.148   7.535
   87    HD2  PHE  10           2HD      PHE  10 -16.733  -6.557   5.855
   88    HE1  PHE  10           1HE      PHE  10 -13.735  -9.148   8.789
   89    HE2  PHE  10           2HE      PHE  10 -17.587  -8.557   7.108
   90    HZ   PHE  10           HZ       PHE  10 -16.078  -9.829   8.560
   91    H    SER  11           H        SER  11 -14.707  -3.612   3.396
   92    HA   SER  11           HA       SER  11 -11.990  -2.604   3.070
   93   1HB   SER  11          1HB       SER  11 -12.994  -1.348   1.030
   94   2HB   SER  11          2HB       SER  11 -12.634  -3.054   0.846
   95    HG   SER  11           HG       SER  11 -14.682  -3.284   0.288
   96    H    LYS  12           H        LYS  12 -11.751  -0.265   3.328
   97    HA   LYS  12           HA       LYS  12 -14.120   1.061   4.426
   98   1HB   LYS  12          1HB       LYS  12 -11.703   0.301   5.865
   99   2HB   LYS  12          2HB       LYS  12 -11.959   2.034   5.913
  100   1HG   LYS  12          1HG       LYS  12 -14.406   1.530   6.558
  101   2HG   LYS  12          2HG       LYS  12 -13.920  -0.141   6.765
  102   1HD   LYS  12          1HD       LYS  12 -11.954   1.176   8.208
  103   2HD   LYS  12          2HD       LYS  12 -13.332   2.226   8.472
  104   1HE   LYS  12          1HE       LYS  12 -13.779   0.736  10.173
  105   2HE   LYS  12          2HE       LYS  12 -14.559  -0.164   8.888
  106   1HZ   LYS  12          1HZ       LYS  12 -11.806  -0.544   9.839
  107   2HZ   LYS  12          2HZ       LYS  12 -13.061  -1.567  10.054
  108    H    THR  13           H        THR  13 -13.175   3.561   4.883
  109    HA   THR  13           HA       THR  13 -11.975   4.309   2.296
  110    HB   THR  13           HB       THR  13 -14.304   5.432   3.902
  111    HG1  THR  13           1HG      THR  13 -14.252   3.820   1.973
  112   1HG2  THR  13          1HG2      THR  13 -14.249   7.278   2.077
  113   2HG2  THR  13          2HG2      THR  13 -13.088   7.462   3.413
  114    H    CYS  14           H        CYS  14 -10.220   5.614   2.288
  115    HA   CYS  14           HA       CYS  14  -8.942   6.014   4.792
  116   1HB   CYS  14          1HB       CYS  14  -8.042   7.250   2.205
  117   2HB   CYS  14          2HB       CYS  14  -7.079   6.732   3.575
  118    HA   PRO  15           HA       PRO  15 -10.911   9.928   5.305
  119   1HB   PRO  15          1HB       PRO  15 -10.070  10.401   7.862
  120   2HB   PRO  15          2HB       PRO  15 -11.504   9.468   7.481
  121   1HG   PRO  15          1HG       PRO  15  -8.861   8.513   8.399
  122   2HG   PRO  15          2HG       PRO  15 -10.400   7.675   8.423
  123   1HD   PRO  15          1HD       PRO  15  -8.248   7.260   6.572
  124   2HD   PRO  15          2HD       PRO  15  -9.830   6.507   6.527
  125    H    ALA  16           H        ALA  16 -10.290  12.222   6.035
  126    HA   ALA  16           HA       ALA  16  -8.358  13.147   4.398
  127   1HB   ALA  16          1HB       ALA  16  -9.314  14.990   5.264
  128   2HB   ALA  16          2HB       ALA  16  -9.874  14.092   6.695
  129    H    GLY  17           H        GLY  17  -6.121  13.641   4.524
  130   1HA   GLY  17          1HA       GLY  17  -4.076  13.731   5.680
  131   2HA   GLY  17          2HA       GLY  17  -4.681  12.589   6.862
  132    H    LYS  18           H        LYS  18  -5.856  10.655   5.033
  133    HA   LYS  18           HA       LYS  18  -3.465   9.746   3.595
  134   1HB   LYS  18          1HB       LYS  18  -4.298   7.394   4.321
  135   2HB   LYS  18          2HB       LYS  18  -3.355   8.360   5.437
  136   1HG   LYS  18          1HG       LYS  18  -5.632   9.247   6.335
  137   2HG   LYS  18          2HG       LYS  18  -6.370   7.940   5.431
  138   1HD   LYS  18          1HD       LYS  18  -6.053   6.909   7.506
  139   2HD   LYS  18          2HD       LYS  18  -4.592   6.418   6.671
  140   1HE   LYS  18          1HE       LYS  18  -3.263   7.578   8.111
  141   2HE   LYS  18          2HE       LYS  18  -4.225   9.033   7.947
  142   1HZ   LYS  18          1HZ       LYS  18  -5.176   8.598   9.868
  143   2HZ   LYS  18          2HZ       LYS  18  -5.639   7.102   9.406
  144    H    ASN  19           H        ASN  19  -4.017  10.027   1.487
  145    HA   ASN  19           HA       ASN  19  -6.680   9.085   0.761
  146   1HB   ASN  19          1HB       ASN  19  -4.995  11.406  -0.193
  147   2HB   ASN  19          2HB       ASN  19  -6.021  10.620  -1.377
  148   1HD2  ASN  19          1HD2      ASN  19  -7.107  12.667  -1.470
  149   2HD2  ASN  19          2HD2      ASN  19  -8.345  13.067  -0.326
  150    H    LEU  20           H        LEU  20  -3.706   7.930   0.971
  151    HA   LEU  20           HA       LEU  20  -3.711   6.783  -1.733
  152   1HB   LEU  20          1HB       LEU  20  -1.394   7.734  -0.059
  153   2HB   LEU  20          2HB       LEU  20  -1.194   6.583  -1.365
  154    HG   LEU  20           HG       LEU  20  -2.684   8.999  -2.144
  155   1HD1  LEU  20          1HD1      LEU  20  -0.949   9.780  -0.398
  156   2HD1  LEU  20          2HD1      LEU  20   0.258   9.394  -1.648
  157   1HD2  LEU  20          1HD2      LEU  20  -1.643   7.061  -3.555
  158   2HD2  LEU  20          2HD2      LEU  20  -1.587   8.736  -4.154
  159    H    CYS  21           H        CYS  21  -3.754   4.579  -1.834
  160    HA   CYS  21           HA       CYS  21  -3.892   3.222   0.719
  161   1HB   CYS  21          1HB       CYS  21  -4.403   2.088  -2.034
  162   2HB   CYS  21          2HB       CYS  21  -4.832   1.373  -0.493
  163    H    TYR  22           H        TYR  22  -2.274   1.842   1.457
  164    HA   TYR  22           HA       TYR  22  -0.037   1.386  -0.402
  165   1HB   TYR  22          1HB       TYR  22   1.373   1.724   1.530
  166   2HB   TYR  22          2HB       TYR  22   0.117   2.926   1.750
  167    HD1  TYR  22           1HD      TYR  22   1.235  -0.457   2.818
  168    HD2  TYR  22           2HD      TYR  22  -1.328   2.869   3.643
  169    HE1  TYR  22           1HE      TYR  22   0.691  -1.433   5.102
  170    HE2  TYR  22           2HE      TYR  22  -1.863   1.881   5.924
  171    HH   TYR  22           HH       TYR  22  -0.535  -1.268   6.881
  172    H    LYS  23           H        LYS  23   1.042  -0.667  -0.303
  173    HA   LYS  23           HA       LYS  23  -0.325  -2.702   1.285
  174   1HB   LYS  23          1HB       LYS  23  -1.475  -3.136  -0.653
  175   2HB   LYS  23          2HB       LYS  23  -0.194  -2.548  -1.694
  176   1HG   LYS  23          1HG       LYS  23   1.194  -4.566  -1.062
  177   2HG   LYS  23          2HG       LYS  23  -0.154  -5.165  -0.116
  178   1HD   LYS  23          1HD       LYS  23  -0.805  -6.216  -2.034
  179   2HD   LYS  23          2HD       LYS  23  -1.394  -4.643  -2.535
  180   1HE   LYS  23          1HE       LYS  23   0.245  -4.403  -4.113
  181   2HE   LYS  23          2HE       LYS  23   1.502  -4.948  -3.021
  182   1HZ   LYS  23          1HZ       LYS  23  -0.214  -7.068  -3.724
  183   2HZ   LYS  23          2HZ       LYS  23   0.407  -6.367  -5.062
  184    H    MET  24           H        MET  24   1.196  -3.618   2.546
  185    HA   MET  24           HA       MET  24   3.922  -3.549   1.555
  186   1HB   MET  24          1HB       MET  24   2.656  -3.991   4.310
  187   2HB   MET  24          2HB       MET  24   4.370  -4.234   4.034
  188   1HG   MET  24          1HG       MET  24   4.233  -1.783   2.968
  189   2HG   MET  24          2HG       MET  24   2.783  -1.659   3.945
  190   1HE   MET  24          1HE       MET  24   2.534  -1.228   5.929
  191   2HE   MET  24          2HE       MET  24   3.561  -1.556   7.346
  192    H    PHE  25           H        PHE  25   5.010  -5.390   0.945
  193    HA   PHE  25           HA       PHE  25   4.103  -7.943   1.946
  194   1HB   PHE  25          1HB       PHE  25   3.592  -8.803  -0.267
  195   2HB   PHE  25          2HB       PHE  25   2.789  -7.247  -0.202
  196    HD1  PHE  25           1HD      PHE  25   5.066  -9.274  -2.007
  197    HD2  PHE  25           2HD      PHE  25   4.098  -5.227  -1.172
  198    HE1  PHE  25           1HE      PHE  25   6.294  -8.553  -4.074
  199    HE2  PHE  25           2HE      PHE  25   5.326  -4.507  -3.239
  200    HZ   PHE  25           HZ       PHE  25   6.409  -6.179  -4.665
  201    H    MET  26           H        MET  26   5.661  -9.680   1.523
  202    HA   MET  26           HA       MET  26   8.304  -8.598   1.401
  203   1HB   MET  26          1HB       MET  26   7.086 -11.357   1.899
  204   2HB   MET  26          2HB       MET  26   8.821 -11.163   1.747
  205   1HG   MET  26          1HG       MET  26   8.601 -10.901   4.053
  206   2HG   MET  26          2HG       MET  26   8.460  -9.227   3.555
  207   1HE   MET  26          1HE       MET  26   7.353 -11.421   5.924
  208   2HE   MET  26          2HE       MET  26   5.576 -11.480   6.001
  209    H    VAL  27           H        VAL  27   9.977  -9.267  -0.099
  210    HA   VAL  27           HA       VAL  27   9.125  -9.408  -2.745
  211    HB   VAL  27           HB       VAL  27  11.278  -8.517  -1.897
  212   1HG1  VAL  27          1HG1      VAL  27  11.663 -10.536  -0.360
  213   2HG1  VAL  27          2HG1      VAL  27  12.273 -11.371  -1.809
  214   1HG2  VAL  27          1HG2      VAL  27  10.728  -9.809  -4.307
  215   2HG2  VAL  27          2HG2      VAL  27  12.071  -8.686  -3.982
  216    H    ALA  28           H        ALA  28   9.207 -11.814  -0.287
  217    HA   ALA  28           HA       ALA  28   9.992 -14.114  -1.365
  218   1HB   ALA  28          1HB       ALA  28   7.232 -14.148  -0.224
  219   2HB   ALA  28          2HB       ALA  28   8.668 -15.098   0.227
  220    H    ALA  29           H        ALA  29   6.993 -12.312  -2.243
  221    HA   ALA  29           HA       ALA  29   7.011 -13.667  -4.796
  222   1HB   ALA  29          1HB       ALA  29   5.375 -15.129  -4.323
  223   2HB   ALA  29          2HB       ALA  29   5.327 -14.547  -2.641
  224    HA   PRO  30           HA       PRO  30   5.628  -9.706  -5.865
  225   1HB   PRO  30          1HB       PRO  30   4.817 -10.143  -8.437
  226   2HB   PRO  30          2HB       PRO  30   6.494  -9.905  -7.989
  227   1HG   PRO  30          1HG       PRO  30   5.111 -12.411  -8.727
  228   2HG   PRO  30          2HG       PRO  30   6.831 -12.075  -8.693
  229   1HD   PRO  30          1HD       PRO  30   5.335 -13.570  -6.755
  230   2HD   PRO  30          2HD       PRO  30   7.031 -13.136  -6.663
  231    H    HIS  31           H        HIS  31   3.606 -12.263  -5.364
  232    HA   HIS  31           HA       HIS  31   1.374 -10.403  -5.282
  233   1HB   HIS  31          1HB       HIS  31   1.550 -11.976  -7.435
  234   2HB   HIS  31          2HB       HIS  31   0.819 -13.139  -6.347
  235    HD1  HIS  31           1HD      HIS  31  -1.676 -13.114  -6.326
  236    HD2  HIS  31           2HD      HIS  31  -0.076  -9.400  -7.441
  237    HE1  HIS  31           1HE      HIS  31  -3.665 -11.622  -6.899
  238    H    VAL  32           H        VAL  32   2.861 -11.037  -3.084
  239    HA   VAL  32           HA       VAL  32   1.010 -12.772  -1.645
  240    HB   VAL  32           HB       VAL  32   3.985 -13.105  -1.887
  241   1HG1  VAL  32          1HG1      VAL  32   3.275 -14.840   0.134
  242   2HG1  VAL  32          2HG1      VAL  32   4.137 -13.298   0.348
  243   1HG2  VAL  32          1HG2      VAL  32   1.755 -15.160  -1.801
  244   2HG2  VAL  32          2HG2      VAL  32   2.390 -14.437  -3.299
  245    HA   PRO  33           HA       PRO  33   1.745  -8.892   0.489
  246   1HB   PRO  33          1HB       PRO  33  -0.865  -8.345   1.086
  247   2HB   PRO  33          2HB       PRO  33  -0.064  -7.741  -0.350
  248   1HG   PRO  33          1HG       PRO  33  -2.044  -9.922  -0.112
  249   2HG   PRO  33          2HG       PRO  33  -1.559  -9.031  -1.541
  250   1HD   PRO  33          1HD       PRO  33  -0.758 -11.690  -0.823
  251   2HD   PRO  33          2HD       PRO  33  -0.184 -10.755  -2.190
  252    H    VAL  34           H        VAL  34   1.718  -8.271   2.712
  253    HA   VAL  34           HA       VAL  34   1.072 -10.619   4.356
  254    HB   VAL  34           HB       VAL  34   3.465 -10.047   4.167
  255   1HG1  VAL  34          1HG1      VAL  34   2.540  -7.390   4.423
  256   2HG1  VAL  34          2HG1      VAL  34   3.490  -7.730   5.889
  257   1HG2  VAL  34          1HG2      VAL  34   2.312  -9.551   6.933
  258   2HG2  VAL  34          2HG2      VAL  34   2.562 -11.147   6.187
  259    H    LYS  35           H        LYS  35   0.708  -7.122   3.828
  260    HA   LYS  35           HA       LYS  35  -1.629  -7.080   5.416
  261   1HB   LYS  35          1HB       LYS  35  -0.929  -5.628   7.205
  262   2HB   LYS  35          2HB       LYS  35   0.039  -7.088   7.240
  263   1HG   LYS  35          1HG       LYS  35   1.830  -5.839   5.914
  264   2HG   LYS  35          2HG       LYS  35   0.880  -4.379   6.108
  265   1HD   LYS  35          1HD       LYS  35   1.371  -5.882   8.637
  266   2HD   LYS  35          2HD       LYS  35   2.815  -5.235   7.884
  267   1HE   LYS  35          1HE       LYS  35   2.115  -3.004   8.119
  268   2HE   LYS  35          2HE       LYS  35   0.413  -3.420   8.115
  269   1HZ   LYS  35          1HZ       LYS  35   0.771  -4.449  10.295
  270   2HZ   LYS  35          2HZ       LYS  35   2.313  -3.913  10.299
  271    H    ARG  36           H        ARG  36  -2.412  -4.687   5.563
  272    HA   ARG  36           HA       ARG  36  -1.277  -2.880   3.588
  273   1HB   ARG  36          1HB       ARG  36  -3.981  -4.181   3.069
  274   2HB   ARG  36          2HB       ARG  36  -3.248  -2.868   2.117
  275   1HG   ARG  36          1HG       ARG  36  -1.280  -4.387   1.674
  276   2HG   ARG  36          2HG       ARG  36  -2.181  -5.700   2.469
  277   1HD   ARG  36          1HD       ARG  36  -3.426  -4.106   0.219
  278   2HD   ARG  36          2HD       ARG  36  -2.334  -5.463  -0.130
  279    HE   ARG  36           HE       ARG  36  -4.405  -6.171   1.769
  280   1HH1  ARG  36          1HH1      ARG  36  -6.247  -7.908  -0.686
  281   2HH1  ARG  36          2HH1      ARG  36  -6.039  -7.627   1.027
  282   1HH2  ARG  36          1HH2      ARG  36  -4.883  -6.820  -2.215
  283   2HH2  ARG  36          2HH2      ARG  36  -3.646  -5.717  -1.654
  284    H    GLY  37           H        GLY  37  -2.848  -0.909   3.314
  285   1HA   GLY  37          1HA       GLY  37  -4.905  -0.374   5.074
  286   2HA   GLY  37          2HA       GLY  37  -3.435   0.028   5.938
  287    H    CYS  38           H        CYS  38  -4.687   2.234   5.727
  288    HA   CYS  38           HA       CYS  38  -4.113   3.452   3.142
  289   1HB   CYS  38          1HB       CYS  38  -5.862   4.313   5.449
  290   2HB   CYS  38          2HB       CYS  38  -5.482   5.359   4.094
  291    H    ILE  39           H        ILE  39  -3.023   5.621   3.168
  292    HA   ILE  39           HA       ILE  39  -1.746   6.482   5.558
  293    HB   ILE  39           HB       ILE  39  -0.459   4.391   4.614
  294   1HG1  ILE  39          1HG1      ILE  39   1.527   6.436   5.230
  295   2HG1  ILE  39          2HG1      ILE  39   0.144   6.534   6.302
  296   1HG2  ILE  39          1HG2      ILE  39   1.427   5.124   3.147
  297   2HG2  ILE  39          2HG2      ILE  39  -0.165   5.111   2.350
  298   1HD1  ILE  39          1HD1      ILE  39   1.445   4.945   7.414
  299   2HD1  ILE  39          2HD1      ILE  39   0.417   3.886   6.419
  300    H    ASP  40           H        ASP  40   0.125   8.161   4.678
  301    HA   ASP  40           HA       ASP  40  -1.314   9.787   2.638
  302   1HB   ASP  40          1HB       ASP  40  -0.511  11.723   3.749
  303   2HB   ASP  40          2HB       ASP  40  -1.067  10.637   5.041
  304    HD2  ASP  40           HD       ASP  40   2.217  10.012   6.089
  305    H    VAL  41           H        VAL  41   1.967   8.882   3.888
  306    HA   VAL  41           HA       VAL  41   2.951   9.392   1.165
  307    HB   VAL  41           HB       VAL  41   3.718  11.014   2.885
  308   1HG1  VAL  41          1HG1      VAL  41   3.811   9.730   4.881
  309   2HG1  VAL  41          2HG1      VAL  41   4.885   8.518   4.143
  310   1HG2  VAL  41          1HG2      VAL  41   5.669  11.242   1.785
  311   2HG2  VAL  41          2HG2      VAL  41   6.232   9.618   2.246
  312    H    CYS  42           H        CYS  42   4.431   7.860   0.289
  313    HA   CYS  42           HA       CYS  42   4.149   5.260   1.537
  314   1HB   CYS  42          1HB       CYS  42   3.964   6.082  -1.068
  315   2HB   CYS  42          2HB       CYS  42   5.603   5.464  -1.016
  316    HA   PRO  43           HA       PRO  43   8.260   5.510   2.992
  317   1HB   PRO  43          1HB       PRO  43   8.640   2.904   3.723
  318   2HB   PRO  43          2HB       PRO  43   7.807   4.069   4.731
  319   1HG   PRO  43          1HG       PRO  43   6.672   1.871   3.113
  320   2HG   PRO  43          2HG       PRO  43   5.933   2.758   4.431
  321   1HD   PRO  43          1HD       PRO  43   5.410   3.094   1.631
  322   2HD   PRO  43          2HD       PRO  43   4.759   4.058   2.942
  323    H    LYS  44           H        LYS  44  10.501   4.472   2.785
  324    HA   LYS  44           HA       LYS  44  10.987   4.380  -0.008
  325   1HB   LYS  44          1HB       LYS  44  12.600   5.404   1.440
  326   2HB   LYS  44          2HB       LYS  44  12.738   3.962   2.426
  327   1HG   LYS  44          1HG       LYS  44  14.054   2.844   0.874
  328   2HG   LYS  44          2HG       LYS  44  13.277   3.603  -0.501
  329   1HD   LYS  44          1HD       LYS  44  14.919   5.160  -0.626
  330   2HD   LYS  44          2HD       LYS  44  14.611   5.666   1.023
  331   1HE   LYS  44          1HE       LYS  44  16.765   4.909   1.348
  332   2HE   LYS  44          2HE       LYS  44  15.956   3.369   1.558
  333   1HZ   LYS  44          1HZ       LYS  44  16.413   3.896  -1.169
  334   2HZ   LYS  44          2HZ       LYS  44  17.814   3.982  -0.333
  335    H    SER  45           H        SER  45  11.507   2.639  -1.348
  336    HA   SER  45           HA       SER  45  10.593   0.115  -0.304
  337   1HB   SER  45          1HB       SER  45  10.886   1.371  -2.984
  338   2HB   SER  45          2HB       SER  45  11.245  -0.344  -2.948
  339    HG   SER  45           HG       SER  45   8.791   0.990  -2.613
  340    H    SER  46           H        SER  46  11.924  -1.677   0.045
  341    HA   SER  46           HA       SER  46  14.741  -1.222  -0.556
  342   1HB   SER  46          1HB       SER  46  15.331  -2.409   1.426
  343   2HB   SER  46          2HB       SER  46  14.024  -1.343   1.902
  344    HG   SER  46           HG       SER  46  12.769  -3.533   1.127
  345    H    LEU  47           H        LEU  47  15.851  -3.693  -0.342
  346    HA   LEU  47           HA       LEU  47  14.734  -5.045  -2.608
  347   1HB   LEU  47          1HB       LEU  47  17.195  -5.349  -0.919
  348   2HB   LEU  47          2HB       LEU  47  16.726  -6.611  -2.040
  349    HG   LEU  47           HG       LEU  47  17.208  -3.726  -2.830
  350   1HD1  LEU  47          1HD1      LEU  47  19.396  -4.105  -3.086
  351   2HD1  LEU  47          2HD1      LEU  47  19.143  -5.482  -1.987
  352   1HD2  LEU  47          1HD2      LEU  47  15.798  -4.627  -4.455
  353   2HD2  LEU  47          2HD2      LEU  47  17.428  -4.857  -5.132
  354    H    LEU  48           H        LEU  48  15.366  -5.855   0.873
  355    HA   LEU  48           HA       LEU  48  14.282  -8.385   0.826
  356   1HB   LEU  48          1HB       LEU  48  15.517  -6.888   2.652
  357   2HB   LEU  48          2HB       LEU  48  13.874  -6.665   3.220
  358    HG   LEU  48           HG       LEU  48  14.283  -9.461   2.724
  359   1HD1  LEU  48          1HD1      LEU  48  16.389  -8.221   4.517
  360   2HD1  LEU  48          2HD1      LEU  48  16.073  -9.959   4.304
  361   1HD2  LEU  48          1HD2      LEU  48  12.632  -8.908   4.247
  362   2HD2  LEU  48          2HD2      LEU  48  13.956  -9.454   5.304
  363    H    VAL  49           H        VAL  49  12.608  -5.339   1.905
  364    HA   VAL  49           HA       VAL  49  10.104  -6.641   1.083
  365    HB   VAL  49           HB       VAL  49   9.020  -5.242   2.781
  366   1HG1  VAL  49          1HG1      VAL  49  11.110  -6.554   4.415
  367   2HG1  VAL  49          2HG1      VAL  49   9.346  -6.795   4.392
  368   1HG2  VAL  49          1HG2      VAL  49  11.593  -3.929   2.823
  369   2HG2  VAL  49          2HG2      VAL  49  10.054  -3.427   3.563
  370    H    LYS  50           H        LYS  50   8.474  -5.248   0.093
  371    HA   LYS  50           HA       LYS  50   9.515  -2.697  -0.870
  372   1HB   LYS  50          1HB       LYS  50   9.616  -4.955  -2.459
  373   2HB   LYS  50          2HB       LYS  50   8.095  -4.230  -2.936
  374   1HG   LYS  50          1HG       LYS  50   9.383  -1.988  -3.115
  375   2HG   LYS  50          2HG       LYS  50  10.852  -2.933  -2.966
  376   1HD   LYS  50          1HD       LYS  50   9.251  -4.261  -4.929
  377   2HD   LYS  50          2HD       LYS  50   9.159  -2.551  -5.303
  378   1HE   LYS  50          1HE       LYS  50  11.861  -3.750  -4.654
  379   2HE   LYS  50          2HE       LYS  50  11.167  -4.049  -6.235
  380   1HZ   LYS  50          1HZ       LYS  50  11.713  -1.427  -5.034
  381   2HZ   LYS  50          2HZ       LYS  50  12.447  -2.088  -6.334
  382    H    TYR  51           H        TYR  51   7.803  -1.225  -1.595
  383    HA   TYR  51           HA       TYR  51   5.146  -2.045  -0.645
  384   1HB   TYR  51          1HB       TYR  51   6.476   0.711  -0.356
  385   2HB   TYR  51          2HB       TYR  51   5.016   0.171   0.448
  386    HD1  TYR  51           1HD      TYR  51   5.843  -2.481   1.498
  387    HD2  TYR  51           2HD      TYR  51   7.969   1.229   1.369
  388    HE1  TYR  51           1HE      TYR  51   7.222  -3.194   3.511
  389    HE2  TYR  51           2HE      TYR  51   9.341   0.504   3.383
  390    HH   TYR  51           HH       TYR  51   8.463  -2.045   5.338
  391    H    VAL  52           H        VAL  52   3.372  -1.173  -1.788
  392    HA   VAL  52           HA       VAL  52   4.103   0.443  -4.128
  393    HB   VAL  52           HB       VAL  52   2.322  -1.991  -3.977
  394   1HG1  VAL  52          1HG1      VAL  52   1.868   0.309  -5.530
  395   2HG1  VAL  52          2HG1      VAL  52   2.595  -0.879  -6.638
  396   1HG2  VAL  52          1HG2      VAL  52   4.203  -3.026  -4.608
  397   2HG2  VAL  52          2HG2      VAL  52   4.039  -2.182  -6.166
  398    H    CYS  53           H        CYS  53   2.981   2.321  -4.244
  399    HA   CYS  53           HA       CYS  53   0.560   2.469  -2.601
  400   1HB   CYS  53          1HB       CYS  53   2.783   4.386  -3.100
  401   2HB   CYS  53          2HB       CYS  53   1.170   5.051  -2.944
  402    H    CYS  54           H        CYS  54  -1.232   3.774  -3.537
  403    HA   CYS  54           HA       CYS  54  -1.055   4.669  -6.212
  404   1HB   CYS  54          1HB       CYS  54  -3.036   2.937  -6.783
  405   2HB   CYS  54          2HB       CYS  54  -1.357   2.704  -7.227
  406    H    ASN  55           H        ASN  55  -3.001   5.882  -6.758
  407    HA   ASN  55           HA       ASN  55  -4.724   6.223  -4.434
  408   1HB   ASN  55          1HB       ASN  55  -5.195   8.515  -5.451
  409   2HB   ASN  55          2HB       ASN  55  -3.532   8.287  -4.948
  410   1HD2  ASN  55          1HD2      ASN  55  -3.719  10.220  -6.584
  411   2HD2  ASN  55          2HD2      ASN  55  -3.268   9.852  -8.215
  412    H    THR  56           H        THR  56  -5.776   4.180  -5.567
  413    HA   THR  56           HA       THR  56  -7.911   5.168  -7.282
  414    HB   THR  56           HB       THR  56  -7.506   3.376  -8.945
  415    HG1  THR  56           1HG      THR  56  -6.456   1.754  -7.785
  416   1HG2  THR  56          1HG2      THR  56  -4.842   4.758  -8.333
  417   2HG2  THR  56          2HG2      THR  56  -5.362   4.094  -9.901
  418    H    ASP  57           H        ASP  57  -9.756   3.747  -7.335
  419    HA   ASP  57           HA       ASP  57 -10.295   2.617  -4.764
  420   1HB   ASP  57          1HB       ASP  57 -11.685   2.971  -7.364
  421   2HB   ASP  57          2HB       ASP  57 -12.253   1.611  -6.372
  422    HD2  ASP  57           HD       ASP  57 -13.988   4.641  -5.346
  423    H    LYS  58           H        LYS  58  -9.775   0.658  -3.954
  424    HA   LYS  58           HA       LYS  58  -9.102  -1.440  -3.841
  425   1HB   LYS  58          1HB       LYS  58 -11.317  -1.728  -5.041
  426   2HB   LYS  58          2HB       LYS  58 -10.414  -1.873  -6.535
  427   1HG   LYS  58          1HG       LYS  58 -10.146  -4.078  -6.073
  428   2HG   LYS  58          2HG       LYS  58  -9.077  -3.615  -4.764
  429   1HD   LYS  58          1HD       LYS  58 -10.570  -4.545  -3.330
  430   2HD   LYS  58          2HD       LYS  58 -11.646  -3.209  -3.688
  431   1HE   LYS  58          1HE       LYS  58 -12.980  -5.092  -4.195
  432   2HE   LYS  58          2HE       LYS  58 -12.383  -4.615  -5.772
  433   1HZ   LYS  58          1HZ       LYS  58 -10.479  -6.230  -5.150
  434   2HZ   LYS  58          2HZ       LYS  58 -11.585  -6.873  -4.134
  435    H    CYS  59           H        CYS  59  -7.062   0.168  -4.392
  436    HA   CYS  59           HA       CYS  59  -5.756  -0.823  -6.786
  437   1HB   CYS  59          1HB       CYS  59  -4.541   1.057  -6.796
  438   2HB   CYS  59          2HB       CYS  59  -5.842   1.660  -5.789
  439    H    ASN  60           H        ASN  60  -5.331  -0.573  -3.189
  440    HA   ASN  60           HA       ASN  60  -3.079  -2.336  -3.330
  441   1HB   ASN  60          1HB       ASN  60  -2.791  -1.854  -0.989
  442   2HB   ASN  60          2HB       ASN  60  -3.347  -0.348  -1.692
  443   1HD2  ASN  60          1HD2      ASN  60  -3.547  -1.105   1.023
  444   2HD2  ASN  60          2HD2      ASN  60  -5.220  -1.191   1.467
  445   1H    HOH  61          1H        HOH  61   3.851 -10.996   2.087
  446   2H    HOH  61          2H        HOH  61   5.013 -11.673   2.781
  447   1H    HOH  62          1H        HOH  62   5.309 -15.370  -8.510
  448   2H    HOH  62          2H        HOH  62   5.034 -15.388  -7.022
  Start of MODEL   16
    1    H    LEU   1           H        LEU   1 -13.377   6.649  -2.328
    2    HA   LEU   1           HA       LEU   1 -10.995   6.326  -2.271
    3   1HB   LEU   1          1HB       LEU   1 -11.213   8.475  -0.440
    4   2HB   LEU   1          2HB       LEU   1 -10.518   7.129   0.441
    5    HG   LEU   1           HG       LEU   1  -9.393   7.890  -2.241
    6   1HD1  LEU   1          1HD1      LEU   1  -7.827   9.435  -1.146
    7   2HD1  LEU   1          2HD1      LEU   1  -9.513   9.996  -1.030
    8   1HD2  LEU   1          1HD2      LEU   1  -8.214   6.636   0.253
    9   2HD2  LEU   1          2HD2      LEU   1  -8.613   5.816  -1.276
   10    H    LYS   2           H        LYS   2 -12.281   4.308  -2.384
   11    HA   LYS   2           HA       LYS   2 -12.486   3.053   0.265
   12   1HB   LYS   2          1HB       LYS   2 -14.223   1.635  -0.652
   13   2HB   LYS   2          2HB       LYS   2 -14.648   3.320  -0.871
   14   1HG   LYS   2          1HG       LYS   2 -13.732   3.193  -3.233
   15   2HG   LYS   2          2HG       LYS   2 -13.452   1.480  -2.996
   16   1HD   LYS   2          1HD       LYS   2 -15.933   1.228  -2.445
   17   2HD   LYS   2          2HD       LYS   2 -16.149   2.908  -2.897
   18   1HE   LYS   2          1HE       LYS   2 -16.589   1.968  -4.962
   19   2HE   LYS   2          2HE       LYS   2 -14.848   2.086  -5.122
   20   1HZ   LYS   2          1HZ       LYS   2 -15.160  -0.246  -3.852
   21   2HZ   LYS   2          2HZ       LYS   2 -16.474  -0.234  -4.821
   22    H    CYS   3           H        CYS   3 -10.857   1.676   0.698
   23    HA   CYS   3           HA       CYS   3  -9.795   0.163  -1.571
   24   1HB   CYS   3          1HB       CYS   3  -8.325   1.765   0.477
   25   2HB   CYS   3          2HB       CYS   3  -7.607   0.265  -0.075
   26    H    LYS   4           H        LYS   4  -8.241  -1.682  -0.346
   27    HA   LYS   4           HA       LYS   4 -10.145  -3.041   1.382
   28   1HB   LYS   4          1HB       LYS   4  -7.853  -3.891  -0.361
   29   2HB   LYS   4          2HB       LYS   4  -8.353  -4.928   0.959
   30   1HG   LYS   4          1HG       LYS   4 -10.802  -4.450  -0.042
   31   2HG   LYS   4          2HG       LYS   4  -9.895  -4.112  -1.503
   32   1HD   LYS   4          1HD       LYS   4  -8.862  -6.340  -1.451
   33   2HD   LYS   4          2HD       LYS   4  -9.565  -6.679   0.118
   34   1HE   LYS   4          1HE       LYS   4 -10.919  -7.785  -1.587
   35   2HE   LYS   4          2HE       LYS   4 -11.864  -6.483  -0.891
   36   1HZ   LYS   4          1HZ       LYS   4 -11.342  -5.124  -2.754
   37   2HZ   LYS   4          2HZ       LYS   4 -10.312  -6.229  -3.373
   38    H    LYS   5           H        LYS   5  -9.589  -3.874   3.456
   39    HA   LYS   5           HA       LYS   5  -7.623  -2.234   4.786
   40   1HB   LYS   5          1HB       LYS   5  -9.753  -4.167   5.705
   41   2HB   LYS   5          2HB       LYS   5  -8.552  -3.533   6.812
   42   1HG   LYS   5          1HG       LYS   5  -9.238  -1.177   5.859
   43   2HG   LYS   5          2HG       LYS   5 -10.659  -2.002   5.249
   44   1HD   LYS   5          1HD       LYS   5  -9.900  -2.429   8.140
   45   2HD   LYS   5          2HD       LYS   5 -10.623  -0.896   7.696
   46   1HE   LYS   5          1HE       LYS   5 -12.577  -2.072   6.709
   47   2HE   LYS   5          2HE       LYS   5 -11.844  -3.625   7.057
   48   1HZ   LYS   5          1HZ       LYS   5 -13.490  -2.724   8.707
   49   2HZ   LYS   5          2HZ       LYS   5 -12.084  -3.280   9.323
   50    H    LEU   6           H        LEU   6  -6.631  -3.867   6.785
   51    HA   LEU   6           HA       LEU   6  -4.421  -4.969   5.671
   52   1HB   LEU   6          1HB       LEU   6  -5.865  -5.293   8.247
   53   2HB   LEU   6          2HB       LEU   6  -4.629  -6.478   7.875
   54    HG   LEU   6           HG       LEU   6  -3.277  -4.180   7.324
   55   1HD1  LEU   6          1HD1      LEU   6  -4.563  -2.459   8.013
   56   2HD1  LEU   6          2HD1      LEU   6  -5.514  -3.467   9.130
   57   1HD2  LEU   6          1HD2      LEU   6  -1.920  -4.846   8.998
   58   2HD2  LEU   6          2HD2      LEU   6  -3.245  -4.957  10.181
   59    H    VAL   7           H        VAL   7  -7.173  -6.982   6.939
   60    HA   VAL   7           HA       VAL   7  -6.298  -9.141   5.234
   61    HB   VAL   7           HB       VAL   7  -8.512  -8.853   7.271
   62   1HG1  VAL   7          1HG1      VAL   7  -9.258 -10.956   6.851
   63   2HG1  VAL   7          2HG1      VAL   7  -8.627 -10.613   5.223
   64   1HG2  VAL   7          1HG2      VAL   7  -6.416 -10.800   7.824
   65   2HG2  VAL   7          2HG2      VAL   7  -5.756  -9.161   7.610
   66    HA   PRO   8           HA       PRO   8  -9.077  -8.106   2.071
   67   1HB   PRO   8          1HB       PRO   8  -8.865 -10.370   0.554
   68   2HB   PRO   8          2HB       PRO   8  -7.712  -9.053   0.476
   69   1HG   PRO   8          1HG       PRO   8  -7.416 -11.701   1.756
   70   2HG   PRO   8          2HG       PRO   8  -6.170 -10.557   1.298
   71   1HD   PRO   8          1HD       PRO   8  -7.163 -11.045   3.944
   72   2HD   PRO   8          2HD       PRO   8  -6.000  -9.822   3.470
   73    H    LEU   9           H        LEU   9 -10.450  -8.547   4.297
   74    HA   LEU   9           HA       LEU   9 -12.460 -10.487   3.384
   75   1HB   LEU   9          1HB       LEU   9 -11.345  -9.864   6.082
   76   2HB   LEU   9          2HB       LEU   9 -13.027 -10.339   5.962
   77    HG   LEU   9           HG       LEU   9 -10.756 -11.984   4.823
   78   1HD1  LEU   9          1HD1      LEU   9 -11.218 -11.512   7.530
   79   2HD1  LEU   9          2HD1      LEU   9 -11.995 -13.081   7.210
   80   1HD2  LEU   9          1HD2      LEU   9 -12.811 -13.695   5.384
   81   2HD2  LEU   9          2HD2      LEU   9 -13.687 -12.232   4.872
   82    H    PHE  10           H        PHE  10 -11.729  -7.230   4.645
   83    HA   PHE  10           HA       PHE  10 -14.394  -6.435   3.766
   84   1HB   PHE  10          1HB       PHE  10 -13.060  -5.439   6.339
   85   2HB   PHE  10          2HB       PHE  10 -14.738  -5.238   5.875
   86    HD1  PHE  10           1HD      PHE  10 -16.349  -6.990   6.248
   87    HD2  PHE  10           2HD      PHE  10 -12.257  -7.600   7.193
   88    HE1  PHE  10           1HE      PHE  10 -16.958  -9.042   7.560
   89    HE2  PHE  10           2HE      PHE  10 -12.866  -9.651   8.505
   90    HZ   PHE  10           HZ       PHE  10 -15.209 -10.348   8.673
   91    H    SER  11           H        SER  11 -14.551  -3.960   3.623
   92    HA   SER  11           HA       SER  11 -11.909  -2.901   2.989
   93   1HB   SER  11          1HB       SER  11 -13.166  -1.534   1.193
   94   2HB   SER  11          2HB       SER  11 -12.898  -3.234   0.862
   95    HG   SER  11           HG       SER  11 -15.328  -1.905   1.626
   96    H    LYS  12           H        LYS  12 -11.764  -0.478   3.159
   97    HA   LYS  12           HA       LYS  12 -13.904   0.718   4.732
   98   1HB   LYS  12          1HB       LYS  12 -11.625  -0.307   5.964
   99   2HB   LYS  12          2HB       LYS  12 -11.271   1.401   5.800
  100   1HG   LYS  12          1HG       LYS  12 -13.656   1.824   6.744
  101   2HG   LYS  12          2HG       LYS  12 -13.671   0.126   7.176
  102   1HD   LYS  12          1HD       LYS  12 -11.810   0.372   8.679
  103   2HD   LYS  12          2HD       LYS  12 -11.374   1.935   8.017
  104   1HE   LYS  12          1HE       LYS  12 -12.477   2.497  10.038
  105   2HE   LYS  12          2HE       LYS  12 -13.721   2.738   8.828
  106   1HZ   LYS  12          1HZ       LYS  12 -13.467   0.603  10.773
  107   2HZ   LYS  12          2HZ       LYS  12 -14.794   1.440  10.319
  108    H    THR  13           H        THR  13 -13.415   3.180   4.992
  109    HA   THR  13           HA       THR  13 -12.321   4.083   2.413
  110    HB   THR  13           HB       THR  13 -14.520   5.131   4.261
  111    HG1  THR  13           1HG      THR  13 -15.533   4.852   1.993
  112   1HG2  THR  13          1HG2      THR  13 -13.200   6.388   1.805
  113   2HG2  THR  13          2HG2      THR  13 -14.848   6.809   2.330
  114    H    CYS  14           H        CYS  14 -10.383   5.013   2.453
  115    HA   CYS  14           HA       CYS  14  -9.138   5.659   4.879
  116   1HB   CYS  14          1HB       CYS  14  -8.221   6.785   2.258
  117   2HB   CYS  14          2HB       CYS  14  -7.274   6.227   3.623
  118    HA   PRO  15           HA       PRO  15 -11.108   9.604   5.161
  119   1HB   PRO  15          1HB       PRO  15 -10.362  10.166   7.729
  120   2HB   PRO  15          2HB       PRO  15 -11.796   9.241   7.329
  121   1HG   PRO  15          1HG       PRO  15  -9.208   8.282   8.389
  122   2HG   PRO  15          2HG       PRO  15 -10.761   7.470   8.383
  123   1HD   PRO  15          1HD       PRO  15  -8.545   6.947   6.639
  124   2HD   PRO  15          2HD       PRO  15 -10.136   6.218   6.560
  125    H    ALA  16           H        ALA  16 -10.491  11.916   5.774
  126    HA   ALA  16           HA       ALA  16  -8.506  12.767   4.196
  127   1HB   ALA  16          1HB       ALA  16  -9.986  13.781   6.510
  128   2HB   ALA  16          2HB       ALA  16  -8.360  14.495   6.390
  129    H    GLY  17           H        GLY  17  -6.280  13.583   4.619
  130   1HA   GLY  17          1HA       GLY  17  -4.263  13.543   5.738
  131   2HA   GLY  17          2HA       GLY  17  -4.899  12.385   6.889
  132    H    LYS  18           H        LYS  18  -5.997  10.458   5.012
  133    HA   LYS  18           HA       LYS  18  -3.527   9.550   3.707
  134   1HB   LYS  18          1HB       LYS  18  -4.510   7.204   4.271
  135   2HB   LYS  18          2HB       LYS  18  -3.622   8.095   5.491
  136   1HG   LYS  18          1HG       LYS  18  -5.869   9.021   6.313
  137   2HG   LYS  18          2HG       LYS  18  -6.656   7.903   5.217
  138   1HD   LYS  18          1HD       LYS  18  -6.334   6.151   6.630
  139   2HD   LYS  18          2HD       LYS  18  -4.626   6.508   6.795
  140   1HE   LYS  18          1HE       LYS  18  -5.319   8.411   8.407
  141   2HE   LYS  18          2HE       LYS  18  -6.928   7.716   8.388
  142   1HZ   LYS  18          1HZ       LYS  18  -6.256   6.164   9.776
  143   2HZ   LYS  18          2HZ       LYS  18  -5.010   5.715   8.821
  144    H    ASN  19           H        ASN  19  -3.983  10.161   1.610
  145    HA   ASN  19           HA       ASN  19  -6.551   9.233   0.596
  146   1HB   ASN  19          1HB       ASN  19  -4.769  11.577  -0.043
  147   2HB   ASN  19          2HB       ASN  19  -5.626  10.863  -1.394
  148   1HD2  ASN  19          1HD2      ASN  19  -7.538  11.641  -1.817
  149   2HD2  ASN  19          2HD2      ASN  19  -8.625  12.422  -0.717
  150    H    LEU  20           H        LEU  20  -3.633   7.992   0.993
  151    HA   LEU  20           HA       LEU  20  -3.431   6.987  -1.759
  152   1HB   LEU  20          1HB       LEU  20  -1.222   7.731   0.155
  153   2HB   LEU  20          2HB       LEU  20  -0.970   6.728  -1.259
  154    HG   LEU  20           HG       LEU  20  -2.327   9.315  -1.764
  155   1HD1  LEU  20          1HD1      LEU  20   0.376   9.144  -0.506
  156   2HD1  LEU  20          2HD1      LEU  20   0.124  10.321  -1.818
  157   1HD2  LEU  20          1HD2      LEU  20  -0.626   9.304  -3.653
  158   2HD2  LEU  20          2HD2      LEU  20  -0.176   7.672  -3.104
  159    H    CYS  21           H        CYS  21  -3.545   4.797  -1.974
  160    HA   CYS  21           HA       CYS  21  -3.792   3.314   0.516
  161   1HB   CYS  21          1HB       CYS  21  -4.541   2.575  -2.320
  162   2HB   CYS  21          2HB       CYS  21  -4.745   1.532  -0.927
  163    H    TYR  22           H        TYR  22  -2.044   2.134   1.216
  164    HA   TYR  22           HA       TYR  22  -0.051   1.387  -0.818
  165   1HB   TYR  22          1HB       TYR  22   1.576   1.869   0.898
  166   2HB   TYR  22          2HB       TYR  22   0.379   3.124   1.147
  167    HD1  TYR  22           1HD      TYR  22  -0.744   3.337   3.218
  168    HD2  TYR  22           2HD      TYR  22   1.455  -0.233   2.365
  169    HE1  TYR  22           1HE      TYR  22  -1.028   2.578   5.627
  170    HE2  TYR  22           2HE      TYR  22   1.163  -0.979   4.778
  171    HH   TYR  22           HH       TYR  22  -1.027   0.031   6.723
  172    H    LYS  23           H        LYS  23   1.151  -0.643  -0.383
  173    HA   LYS  23           HA       LYS  23  -0.200  -2.463   1.439
  174   1HB   LYS  23          1HB       LYS  23  -0.448  -4.182  -0.301
  175   2HB   LYS  23          2HB       LYS  23  -1.438  -2.771  -0.618
  176   1HG   LYS  23          1HG       LYS  23  -0.279  -2.220  -2.522
  177   2HG   LYS  23          2HG       LYS  23   1.276  -2.598  -1.808
  178   1HD   LYS  23          1HD       LYS  23   1.269  -4.751  -2.603
  179   2HD   LYS  23          2HD       LYS  23  -0.430  -4.987  -2.244
  180   1HE   LYS  23          1HE       LYS  23  -0.975  -4.627  -4.416
  181   2HE   LYS  23          2HE       LYS  23  -0.245  -3.035  -4.364
  182   1HZ   LYS  23          1HZ       LYS  23   1.349  -5.471  -4.713
  183   2HZ   LYS  23          2HZ       LYS  23   0.731  -4.638  -5.975
  184    H    MET  24           H        MET  24   1.241  -3.762   2.491
  185    HA   MET  24           HA       MET  24   3.970  -3.622   1.478
  186   1HB   MET  24          1HB       MET  24   2.812  -4.086   4.279
  187   2HB   MET  24          2HB       MET  24   4.520  -4.256   3.924
  188   1HG   MET  24          1HG       MET  24   4.397  -1.834   2.972
  189   2HG   MET  24          2HG       MET  24   2.828  -1.728   3.746
  190   1HE   MET  24          1HE       MET  24   5.605   0.191   4.765
  191   2HE   MET  24          2HE       MET  24   3.829   0.279   4.700
  192    H    PHE  25           H        PHE  25   4.901  -5.471   0.703
  193    HA   PHE  25           HA       PHE  25   3.980  -8.012   1.773
  194   1HB   PHE  25          1HB       PHE  25   3.658  -8.849  -0.564
  195   2HB   PHE  25          2HB       PHE  25   2.616  -7.469  -0.284
  196    HD1  PHE  25           1HD      PHE  25   5.326  -8.799  -2.244
  197    HD2  PHE  25           2HD      PHE  25   3.290  -5.226  -1.198
  198    HE1  PHE  25           1HE      PHE  25   6.308  -7.652  -4.250
  199    HE2  PHE  25           2HE      PHE  25   4.271  -4.079  -3.203
  200    HZ   PHE  25           HZ       PHE  25   5.768  -5.306  -4.705
  201    H    MET  26           H        MET  26   5.509  -9.757   1.457
  202    HA   MET  26           HA       MET  26   8.174  -8.746   1.254
  203   1HB   MET  26          1HB       MET  26   6.932 -11.479   1.857
  204   2HB   MET  26          2HB       MET  26   8.669 -11.264   1.761
  205   1HG   MET  26          1HG       MET  26   8.598  -9.579   3.579
  206   2HG   MET  26          2HG       MET  26   6.849  -9.671   3.633
  207   1HE   MET  26          1HE       MET  26   6.646 -11.603   6.602
  208   2HE   MET  26          2HE       MET  26   8.054 -10.515   6.649
  209    H    VAL  27           H        VAL  27   9.803  -9.479  -0.246
  210    HA   VAL  27           HA       VAL  27   8.913  -9.755  -2.864
  211    HB   VAL  27           HB       VAL  27  11.100  -8.863  -2.046
  212   1HG1  VAL  27          1HG1      VAL  27  11.976 -10.341  -0.500
  213   2HG1  VAL  27          2HG1      VAL  27  11.533 -11.776  -1.456
  214   1HG2  VAL  27          1HG2      VAL  27  10.519 -10.392  -4.405
  215   2HG2  VAL  27          2HG2      VAL  27  11.601  -8.992  -4.214
  216    H    ALA  28           H        ALA  28   9.026 -12.038  -0.287
  217    HA   ALA  28           HA       ALA  28   9.761 -14.397  -1.260
  218   1HB   ALA  28          1HB       ALA  28   7.443 -13.495   0.421
  219   2HB   ALA  28          2HB       ALA  28   7.505 -15.201  -0.084
  220    H    ALA  29           H        ALA  29   6.733 -12.639  -2.148
  221    HA   ALA  29           HA       ALA  29   6.697 -14.136  -4.630
  222   1HB   ALA  29          1HB       ALA  29   4.952 -14.721  -2.380
  223   2HB   ALA  29          2HB       ALA  29   4.007 -14.149  -3.775
  224    HA   PRO  30           HA       PRO  30   5.322 -10.276  -6.012
  225   1HB   PRO  30          1HB       PRO  30   4.123 -10.922  -8.382
  226   2HB   PRO  30          2HB       PRO  30   5.859 -10.777  -8.195
  227   1HG   PRO  30          1HG       PRO  30   4.220 -13.225  -8.435
  228   2HG   PRO  30          2HG       PRO  30   5.945 -13.031  -8.673
  229   1HD   PRO  30          1HD       PRO  30   4.645 -14.177  -6.387
  230   2HD   PRO  30          2HD       PRO  30   6.361 -13.877  -6.576
  231    H    HIS  31           H        HIS  31   3.074 -12.753  -5.382
  232    HA   HIS  31           HA       HIS  31   1.086 -10.659  -4.954
  233   1HB   HIS  31          1HB       HIS  31   0.712 -11.921  -7.127
  234   2HB   HIS  31          2HB       HIS  31   0.414 -13.351  -6.161
  235    HD1  HIS  31           1HD      HIS  31  -2.064 -13.439  -7.010
  236    HD2  HIS  31           2HD      HIS  31  -1.083  -9.980  -4.850
  237    HE1  HIS  31           1HE      HIS  31  -4.275 -12.298  -6.446
  238    H    VAL  32           H        VAL  32   2.467 -11.172  -2.827
  239    HA   VAL  32           HA       VAL  32   0.737 -12.900  -1.267
  240    HB   VAL  32           HB       VAL  32   3.683 -13.332  -1.687
  241   1HG1  VAL  32          1HG1      VAL  32   3.863 -13.411   0.578
  242   2HG1  VAL  32          2HG1      VAL  32   2.120 -13.682   0.819
  243   1HG2  VAL  32          1HG2      VAL  32   2.131 -14.645  -3.054
  244   2HG2  VAL  32          2HG2      VAL  32   2.993 -15.685  -1.895
  245    HA   PRO  33           HA       PRO  33   1.820  -8.999   0.716
  246   1HB   PRO  33          1HB       PRO  33  -0.723  -8.197   1.314
  247   2HB   PRO  33          2HB       PRO  33   0.121  -7.702  -0.140
  248   1HG   PRO  33          1HG       PRO  33  -2.052  -9.683   0.158
  249   2HG   PRO  33          2HG       PRO  33  -1.497  -8.873  -1.293
  250   1HD   PRO  33          1HD       PRO  33  -0.943 -11.578  -0.520
  251   2HD   PRO  33          2HD       PRO  33  -0.294 -10.732  -1.910
  252    H    VAL  34           H        VAL  34   1.847  -8.319   2.927
  253    HA   VAL  34           HA       VAL  34   1.059 -10.585   4.621
  254    HB   VAL  34           HB       VAL  34   3.469 -10.129   4.458
  255   1HG1  VAL  34          1HG1      VAL  34   3.442  -7.682   6.070
  256   2HG1  VAL  34          2HG1      VAL  34   4.396  -8.093   4.625
  257   1HG2  VAL  34          1HG2      VAL  34   3.319 -11.087   6.483
  258   2HG2  VAL  34          2HG2      VAL  34   3.531  -9.445   7.137
  259    H    LYS  35           H        LYS  35   0.881  -7.070   4.049
  260    HA   LYS  35           HA       LYS  35  -1.454  -6.935   5.685
  261   1HB   LYS  35          1HB       LYS  35  -0.665  -5.353   7.320
  262   2HB   LYS  35          2HB       LYS  35   0.305  -6.809   7.417
  263   1HG   LYS  35          1HG       LYS  35   1.956  -5.597   5.795
  264   2HG   LYS  35          2HG       LYS  35   1.070  -4.136   6.180
  265   1HD   LYS  35          1HD       LYS  35   1.531  -4.483   8.609
  266   2HD   LYS  35          2HD       LYS  35   2.392  -5.964   8.241
  267   1HE   LYS  35          1HE       LYS  35   4.290  -4.780   7.875
  268   2HE   LYS  35          2HE       LYS  35   3.511  -3.921   6.561
  269   1HZ   LYS  35          1HZ       LYS  35   2.497  -2.536   8.419
  270   2HZ   LYS  35          2HZ       LYS  35   3.670  -3.155   9.372
  271    H    ARG  36           H        ARG  36  -2.131  -4.457   5.749
  272    HA   ARG  36           HA       ARG  36  -1.134  -2.861   3.542
  273   1HB   ARG  36          1HB       ARG  36  -3.852  -4.217   3.334
  274   2HB   ARG  36          2HB       ARG  36  -3.292  -2.891   2.286
  275   1HG   ARG  36          1HG       ARG  36  -1.269  -4.350   1.732
  276   2HG   ARG  36          2HG       ARG  36  -2.117  -5.684   2.549
  277   1HD   ARG  36          1HD       ARG  36  -3.390  -4.049   0.329
  278   2HD   ARG  36          2HD       ARG  36  -2.438  -5.514   0.009
  279    HE   ARG  36           HE       ARG  36  -4.526  -5.912   1.995
  280   1HH1  ARG  36          1HH1      ARG  36  -6.517  -7.687  -0.313
  281   2HH1  ARG  36          2HH1      ARG  36  -6.278  -7.284   1.372
  282   1HH2  ARG  36          1HH2      ARG  36  -5.074  -6.844  -1.924
  283   2HH2  ARG  36          2HH2      ARG  36  -3.748  -5.806  -1.452
  284    H    GLY  37           H        GLY  37  -2.611  -0.850   3.250
  285   1HA   GLY  37          1HA       GLY  37  -4.546  -0.119   5.084
  286   2HA   GLY  37          2HA       GLY  37  -3.011   0.282   5.828
  287    H    CYS  38           H        CYS  38  -4.205   2.514   5.534
  288    HA   CYS  38           HA       CYS  38  -3.423   3.562   2.910
  289   1HB   CYS  38          1HB       CYS  38  -5.845   4.015   4.571
  290   2HB   CYS  38          2HB       CYS  38  -5.173   5.415   3.760
  291    H    ILE  39           H        ILE  39  -2.463   5.749   2.961
  292    HA   ILE  39           HA       ILE  39  -1.891   6.939   5.494
  293    HB   ILE  39           HB       ILE  39  -0.256   4.925   5.078
  294   1HG1  ILE  39          1HG1      ILE  39   1.119   7.451   5.902
  295   2HG1  ILE  39          2HG1      ILE  39  -0.300   6.954   6.801
  296   1HG2  ILE  39          1HG2      ILE  39   1.847   5.702   3.992
  297   2HG2  ILE  39          2HG2      ILE  39   0.483   5.497   2.867
  298   1HD1  ILE  39          1HD1      ILE  39   1.770   6.022   7.804
  299   2HD1  ILE  39          2HD1      ILE  39   0.710   4.722   7.209
  300    H    ASP  40           H        ASP  40   0.031   8.704   4.876
  301    HA   ASP  40           HA       ASP  40  -1.103  10.088   2.501
  302   1HB   ASP  40          1HB       ASP  40  -1.035  11.016   4.991
  303   2HB   ASP  40          2HB       ASP  40   0.633  11.436   4.546
  304    HD2  ASP  40           HD       ASP  40  -2.112  13.093   2.194
  305    H    VAL  41           H        VAL  41   1.991   9.341   4.230
  306    HA   VAL  41           HA       VAL  41   3.384   9.967   1.728
  307    HB   VAL  41           HB       VAL  41   4.098  11.254   3.641
  308   1HG1  VAL  41          1HG1      VAL  41   3.869  10.346   5.676
  309   2HG1  VAL  41          2HG1      VAL  41   3.851   8.691   5.022
  310   1HG2  VAL  41          1HG2      VAL  41   6.213  11.158   2.929
  311   2HG2  VAL  41          2HG2      VAL  41   6.447   9.544   3.641
  312    H    CYS  42           H        CYS  42   4.445   8.379   0.595
  313    HA   CYS  42           HA       CYS  42   3.997   5.686   1.547
  314   1HB   CYS  42          1HB       CYS  42   3.524   6.528  -0.827
  315   2HB   CYS  42          2HB       CYS  42   5.259   6.489  -1.071
  316    HA   PRO  43           HA       PRO  43   8.145   5.458   2.915
  317   1HB   PRO  43          1HB       PRO  43   8.268   2.785   3.468
  318   2HB   PRO  43          2HB       PRO  43   7.590   3.962   4.575
  319   1HG   PRO  43          1HG       PRO  43   6.185   2.004   2.863
  320   2HG   PRO  43          2HG       PRO  43   5.581   2.874   4.259
  321   1HD   PRO  43          1HD       PRO  43   5.019   3.445   1.505
  322   2HD   PRO  43          2HD       PRO  43   4.510   4.383   2.894
  323    H    LYS  44           H        LYS  44  10.292   4.556   2.463
  324    HA   LYS  44           HA       LYS  44  10.528   4.312  -0.365
  325   1HB   LYS  44          1HB       LYS  44  12.162   5.531   1.010
  326   2HB   LYS  44          2HB       LYS  44  12.589   4.051   1.845
  327   1HG   LYS  44          1HG       LYS  44  14.211   3.901   0.228
  328   2HG   LYS  44          2HG       LYS  44  12.918   3.213  -0.735
  329   1HD   LYS  44          1HD       LYS  44  12.397   5.457  -1.676
  330   2HD   LYS  44          2HD       LYS  44  13.640   6.182  -0.676
  331   1HE   LYS  44          1HE       LYS  44  15.408   5.118  -1.878
  332   2HE   LYS  44          2HE       LYS  44  14.341   3.910  -2.566
  333   1HZ   LYS  44          1HZ       LYS  44  13.452   5.449  -4.018
  334   2HZ   LYS  44          2HZ       LYS  44  13.973   6.745  -3.173
  335    H    SER  45           H        SER  45  11.131   2.500  -1.604
  336    HA   SER  45           HA       SER  45  10.274   0.045  -0.438
  337   1HB   SER  45          1HB       SER  45  11.010   1.017  -3.186
  338   2HB   SER  45          2HB       SER  45  11.106  -0.708  -2.893
  339    HG   SER  45           HG       SER  45   8.760   0.301  -1.852
  340    H    SER  46           H        SER  46  11.569  -1.769   0.063
  341    HA   SER  46           HA       SER  46  14.433  -1.246  -0.122
  342   1HB   SER  46          1HB       SER  46  14.711  -2.608   1.895
  343   2HB   SER  46          2HB       SER  46  13.558  -1.325   2.205
  344    HG   SER  46           HG       SER  46  12.310  -3.614   1.236
  345    H    LEU  47           H        LEU  47  15.702  -3.517   0.018
  346    HA   LEU  47           HA       LEU  47  14.872  -4.963  -2.281
  347   1HB   LEU  47          1HB       LEU  47  17.160  -5.067  -0.361
  348   2HB   LEU  47          2HB       LEU  47  16.875  -6.435  -1.418
  349    HG   LEU  47           HG       LEU  47  17.255  -3.589  -2.386
  350   1HD1  LEU  47          1HD1      LEU  47  19.510  -4.457  -3.144
  351   2HD1  LEU  47          2HD1      LEU  47  19.315  -4.196  -1.394
  352   1HD2  LEU  47          1HD2      LEU  47  17.651  -4.700  -4.582
  353   2HD2  LEU  47          2HD2      LEU  47  17.127  -6.236  -3.851
  354    H    LEU  48           H        LEU  48  15.161  -5.763   1.247
  355    HA   LEU  48           HA       LEU  48  14.221  -8.349   1.067
  356   1HB   LEU  48          1HB       LEU  48  15.265  -7.626   3.042
  357   2HB   LEU  48          2HB       LEU  48  14.168  -6.275   3.242
  358    HG   LEU  48           HG       LEU  48  12.358  -8.218   3.441
  359   1HD1  LEU  48          1HD1      LEU  48  14.038  -9.848   5.014
  360   2HD1  LEU  48          2HD1      LEU  48  13.179 -10.276   3.515
  361   1HD2  LEU  48          1HD2      LEU  48  12.285  -6.962   5.295
  362   2HD2  LEU  48          2HD2      LEU  48  13.274  -8.256   6.013
  363    H    VAL  49           H        VAL  49  12.275  -5.462   2.124
  364    HA   VAL  49           HA       VAL  49   9.944  -6.844   0.989
  365    HB   VAL  49           HB       VAL  49  10.162  -4.863   3.264
  366   1HG1  VAL  49          1HG1      VAL  49   7.768  -5.155   3.578
  367   2HG1  VAL  49          2HG1      VAL  49   8.092  -4.562   1.931
  368   1HG2  VAL  49          1HG2      VAL  49   8.915  -7.325   4.003
  369   2HG2  VAL  49          2HG2      VAL  49  10.445  -7.704   3.176
  370    H    LYS  50           H        LYS  50   8.300  -5.451  -0.043
  371    HA   LYS  50           HA       LYS  50   9.435  -2.919  -0.990
  372   1HB   LYS  50          1HB       LYS  50   8.686  -5.305  -2.564
  373   2HB   LYS  50          2HB       LYS  50   8.018  -3.799  -3.161
  374   1HG   LYS  50          1HG       LYS  50  10.062  -3.009  -3.823
  375   2HG   LYS  50          2HG       LYS  50  10.854  -3.547  -2.355
  376   1HD   LYS  50          1HD       LYS  50  11.862  -5.022  -3.820
  377   2HD   LYS  50          2HD       LYS  50  10.438  -5.976  -3.457
  378   1HE   LYS  50          1HE       LYS  50  10.541  -4.009  -5.788
  379   2HE   LYS  50          2HE       LYS  50  11.006  -5.691  -5.953
  380   1HZ   LYS  50          1HZ       LYS  50   8.724  -5.411  -6.518
  381   2HZ   LYS  50          2HZ       LYS  50   8.800  -6.287  -5.142
  382    H    TYR  51           H        TYR  51   7.760  -1.379  -1.765
  383    HA   TYR  51           HA       TYR  51   5.104  -1.987  -0.678
  384   1HB   TYR  51          1HB       TYR  51   6.608   0.680  -0.430
  385   2HB   TYR  51          2HB       TYR  51   5.165   0.207   0.444
  386    HD1  TYR  51           1HD      TYR  51   8.295   1.042   1.131
  387    HD2  TYR  51           2HD      TYR  51   5.822  -2.428   1.524
  388    HE1  TYR  51           1HE      TYR  51   9.727   0.231   3.069
  389    HE2  TYR  51           2HE      TYR  51   7.263  -3.226   3.460
  390    HH   TYR  51           HH       TYR  51  10.283  -1.883   4.132
  391    H    VAL  52           H        VAL  52   3.404  -1.244  -1.919
  392    HA   VAL  52           HA       VAL  52   4.153   0.452  -4.201
  393    HB   VAL  52           HB       VAL  52   2.448  -2.019  -4.041
  394   1HG1  VAL  52          1HG1      VAL  52   1.619  -1.509  -6.325
  395   2HG1  VAL  52          2HG1      VAL  52   1.024  -0.361  -5.102
  396   1HG2  VAL  52          1HG2      VAL  52   3.841  -2.115  -6.386
  397   2HG2  VAL  52          2HG2      VAL  52   4.961  -1.188  -5.359
  398    H    CYS  53           H        CYS  53   2.987   2.310  -4.425
  399    HA   CYS  53           HA       CYS  53   0.597   2.512  -2.739
  400   1HB   CYS  53          1HB       CYS  53   2.768   4.513  -3.315
  401   2HB   CYS  53          2HB       CYS  53   1.164   5.036  -2.842
  402    H    CYS  54           H        CYS  54  -1.151   3.876  -3.673
  403    HA   CYS  54           HA       CYS  54  -0.928   4.842  -6.312
  404   1HB   CYS  54          1HB       CYS  54  -2.882   3.149  -7.012
  405   2HB   CYS  54          2HB       CYS  54  -1.189   2.895  -7.385
  406    H    ASN  55           H        ASN  55  -2.750   6.201  -6.761
  407    HA   ASN  55           HA       ASN  55  -4.538   6.438  -4.484
  408   1HB   ASN  55          1HB       ASN  55  -5.023   8.741  -5.540
  409   2HB   ASN  55          2HB       ASN  55  -3.398   8.523  -4.920
  410   1HD2  ASN  55          1HD2      ASN  55  -2.541  10.073  -6.261
  411   2HD2  ASN  55          2HD2      ASN  55  -2.299   9.846  -7.961
  412    H    THR  56           H        THR  56  -5.662   4.451  -5.572
  413    HA   THR  56           HA       THR  56  -7.765   5.458  -7.304
  414    HB   THR  56           HB       THR  56  -7.375   3.547  -8.915
  415    HG1  THR  56           1HG      THR  56  -5.056   3.406  -7.127
  416   1HG2  THR  56          1HG2      THR  56  -4.751   5.065  -8.625
  417   2HG2  THR  56          2HG2      THR  56  -5.557   4.526 -10.118
  418    H    ASP  57           H        ASP  57  -9.597   3.980  -7.422
  419    HA   ASP  57           HA       ASP  57 -10.191   2.892  -4.846
  420   1HB   ASP  57          1HB       ASP  57 -11.511   3.179  -7.488
  421   2HB   ASP  57          2HB       ASP  57 -12.080   1.817  -6.498
  422    HD2  ASP  57           HD       ASP  57 -13.879   4.863  -5.576
  423    H    LYS  58           H        LYS  58  -9.792   0.917  -3.986
  424    HA   LYS  58           HA       LYS  58  -8.996  -1.138  -3.812
  425   1HB   LYS  58          1HB       LYS  58 -11.244  -1.347  -5.175
  426   2HB   LYS  58          2HB       LYS  58 -10.186  -1.874  -6.468
  427   1HG   LYS  58          1HG       LYS  58  -9.138  -3.432  -4.570
  428   2HG   LYS  58          2HG       LYS  58 -10.678  -3.164  -3.776
  429   1HD   LYS  58          1HD       LYS  58 -11.544  -4.817  -5.066
  430   2HD   LYS  58          2HD       LYS  58 -11.388  -3.743  -6.443
  431   1HE   LYS  58          1HE       LYS  58  -8.795  -4.932  -5.822
  432   2HE   LYS  58          2HE       LYS  58  -9.999  -6.194  -5.993
  433   1HZ   LYS  58          1HZ       LYS  58 -10.253  -5.737  -8.149
  434   2HZ   LYS  58          2HZ       LYS  58 -10.118  -4.120  -7.974
  435    H    CYS  59           H        CYS  59  -6.988   0.480  -4.464
  436    HA   CYS  59           HA       CYS  59  -5.714  -0.569  -6.847
  437   1HB   CYS  59          1HB       CYS  59  -4.515   1.318  -6.922
  438   2HB   CYS  59          2HB       CYS  59  -5.794   1.935  -5.895
  439    H    ASN  60           H        ASN  60  -5.240  -0.253  -3.263
  440    HA   ASN  60           HA       ASN  60  -2.947  -1.946  -3.381
  441   1HB   ASN  60          1HB       ASN  60  -2.720  -1.480  -1.036
  442   2HB   ASN  60          2HB       ASN  60  -3.358   0.004  -1.716
  443   1HD2  ASN  60          1HD2      ASN  60  -3.532  -0.924   0.988
  444   2HD2  ASN  60          2HD2      ASN  60  -5.205  -1.085   1.405
  445   1H    HOH  61          1H        HOH  61   4.572 -10.446   2.880
  446   2H    HOH  61          2H        HOH  61   5.404 -11.498   2.180
  447   1H    HOH  62          1H        HOH  62   8.675 -14.328  -6.744
  448   2H    HOH  62          2H        HOH  62   8.121 -14.246  -8.150
  Start of MODEL   17
    1    H    LEU   1           H        LEU   1 -12.995   8.012  -2.277
    2    HA   LEU   1           HA       LEU   1 -10.868   6.493  -2.137
    3   1HB   LEU   1          1HB       LEU   1 -10.302   7.592   0.034
    4   2HB   LEU   1          2HB       LEU   1 -10.771   8.664  -1.270
    5    HG   LEU   1           HG       LEU   1 -12.904   7.807   0.636
    6   1HD1  LEU   1          1HD1      LEU   1 -11.619  10.188   1.636
    7   2HD1  LEU   1          2HD1      LEU   1 -12.031   8.677   2.481
    8   1HD2  LEU   1          1HD2      LEU   1 -13.340  10.384   0.304
    9   2HD2  LEU   1          2HD2      LEU   1 -12.298  10.151  -1.121
   10    H    LYS   2           H        LYS   2 -11.970   4.285  -2.244
   11    HA   LYS   2           HA       LYS   2 -12.015   3.204   0.480
   12   1HB   LYS   2          1HB       LYS   2 -13.957   2.532  -1.751
   13   2HB   LYS   2          2HB       LYS   2 -13.831   1.663  -0.234
   14   1HG   LYS   2          1HG       LYS   2 -14.576   3.542   1.047
   15   2HG   LYS   2          2HG       LYS   2 -14.254   4.672  -0.253
   16   1HD   LYS   2          1HD       LYS   2 -16.547   4.480  -0.523
   17   2HD   LYS   2          2HD       LYS   2 -16.049   3.158  -1.560
   18   1HE   LYS   2          1HE       LYS   2 -16.140   1.814   0.805
   19   2HE   LYS   2          2HE       LYS   2 -17.312   3.065   1.166
   20   1HZ   LYS   2          1HZ       LYS   2 -18.564   1.469   0.155
   21   2HZ   LYS   2          2HZ       LYS   2 -18.237   2.429  -1.125
   22    H    CYS   3           H        CYS   3 -10.677   1.481   0.776
   23    HA   CYS   3           HA       CYS   3  -9.748   0.136  -1.649
   24   1HB   CYS   3          1HB       CYS   3  -8.129   1.493   0.452
   25   2HB   CYS   3          2HB       CYS   3  -7.528  -0.031  -0.171
   26    H    LYS   4           H        LYS   4  -8.240  -1.876  -0.569
   27    HA   LYS   4           HA       LYS   4 -10.196  -3.245   1.109
   28   1HB   LYS   4          1HB       LYS   4  -7.968  -4.216  -0.693
   29   2HB   LYS   4          2HB       LYS   4  -8.811  -5.275   0.419
   30   1HG   LYS   4          1HG       LYS   4 -11.008  -4.432  -0.659
   31   2HG   LYS   4          2HG       LYS   4 -10.009  -3.700  -1.899
   32   1HD   LYS   4          1HD       LYS   4  -8.923  -6.167  -1.975
   33   2HD   LYS   4          2HD       LYS   4 -10.482  -6.620  -1.317
   34   1HE   LYS   4          1HE       LYS   4 -11.612  -6.120  -3.269
   35   2HE   LYS   4          2HE       LYS   4 -10.609  -4.726  -3.620
   36   1HZ   LYS   4          1HZ       LYS   4 -10.319  -7.388  -4.512
   37   2HZ   LYS   4          2HZ       LYS   4  -9.616  -6.027  -5.078
   38    H    LYS   5           H        LYS   5  -9.486  -4.481   2.988
   39    HA   LYS   5           HA       LYS   5  -7.346  -3.070   4.350
   40   1HB   LYS   5          1HB       LYS   5  -9.615  -4.851   5.218
   41   2HB   LYS   5          2HB       LYS   5  -8.270  -4.536   6.294
   42   1HG   LYS   5          1HG       LYS   5  -8.648  -2.031   5.865
   43   2HG   LYS   5          2HG       LYS   5 -10.124  -2.470   5.030
   44   1HD   LYS   5          1HD       LYS   5 -11.218  -2.601   7.008
   45   2HD   LYS   5          2HD       LYS   5 -10.142  -3.885   7.526
   46   1HE   LYS   5          1HE       LYS   5  -8.787  -1.294   7.693
   47   2HE   LYS   5          2HE       LYS   5 -10.298  -1.250   8.581
   48   1HZ   LYS   5          1HZ       LYS   5  -8.740  -3.627   8.968
   49   2HZ   LYS   5          2HZ       LYS   5  -8.052  -2.261   9.538
   50    H    LEU   6           H        LEU   6  -6.387  -4.974   6.118
   51    HA   LEU   6           HA       LEU   6  -4.328  -6.109   4.833
   52   1HB   LEU   6          1HB       LEU   6  -5.793  -6.716   7.343
   53   2HB   LEU   6          2HB       LEU   6  -4.660  -7.926   6.775
   54    HG   LEU   6           HG       LEU   6  -2.994  -5.904   6.606
   55   1HD1  LEU   6          1HD1      LEU   6  -5.306  -4.726   7.980
   56   2HD1  LEU   6          2HD1      LEU   6  -3.760  -4.503   8.834
   57   1HD2  LEU   6          1HD2      LEU   6  -2.695  -7.830   8.065
   58   2HD2  LEU   6          2HD2      LEU   6  -2.261  -6.325   8.911
   59    H    VAL   7           H        VAL   7  -7.219  -8.086   5.814
   60    HA   VAL   7           HA       VAL   7  -6.536  -9.962   3.713
   61    HB   VAL   7           HB       VAL   7  -8.606  -9.967   5.917
   62   1HG1  VAL   7          1HG1      VAL   7  -9.375 -12.033   5.248
   63   2HG1  VAL   7          2HG1      VAL   7  -9.048 -11.283   3.667
   64   1HG2  VAL   7          1HG2      VAL   7  -6.829 -10.516   7.171
   65   2HG2  VAL   7          2HG2      VAL   7  -6.860 -12.078   6.319
   66    HA   PRO   8           HA       PRO   8  -9.463  -8.293   0.992
   67   1HB   PRO   8          1HB       PRO   8  -9.569 -10.309  -0.849
   68   2HB   PRO   8          2HB       PRO   8  -8.311  -9.088  -0.836
   69   1HG   PRO   8          1HG       PRO   8  -8.160 -11.915   0.016
   70   2HG   PRO   8          2HG       PRO   8  -6.853 -10.816  -0.377
   71   1HD   PRO   8          1HD       PRO   8  -7.686 -11.622   2.246
   72   2HD   PRO   8          2HD       PRO   8  -6.458 -10.435   1.855
   73    H    LEU   9           H        LEU   9 -10.726  -8.909   3.217
   74    HA   LEU   9           HA       LEU   9 -12.952 -10.551   2.223
   75   1HB   LEU   9          1HB       LEU   9 -11.570 -10.435   4.858
   76   2HB   LEU   9          2HB       LEU   9 -13.304 -10.691   4.858
   77    HG   LEU   9           HG       LEU   9 -11.364 -12.410   3.292
   78   1HD1  LEU   9          1HD1      LEU   9 -12.601 -13.579   5.688
   79   2HD1  LEU   9          2HD1      LEU   9 -10.937 -13.702   5.070
   80   1HD2  LEU   9          1HD2      LEU   9 -13.112 -13.726   2.686
   81   2HD2  LEU   9          2HD2      LEU   9 -14.046 -13.368   4.159
   82    H    PHE  10           H        PHE  10 -11.857  -7.585   3.888
   83    HA   PHE  10           HA       PHE  10 -14.518  -6.487   3.376
   84   1HB   PHE  10          1HB       PHE  10 -12.812  -5.905   5.856
   85   2HB   PHE  10          2HB       PHE  10 -14.505  -5.514   5.628
   86    HD1  PHE  10           1HD      PHE  10 -16.218  -7.127   6.072
   87    HD2  PHE  10           2HD      PHE  10 -12.130  -8.243   6.300
   88    HE1  PHE  10           1HE      PHE  10 -16.865  -9.264   7.219
   89    HE2  PHE  10           2HE      PHE  10 -12.778 -10.380   7.448
   90    HZ   PHE  10           HZ       PHE  10 -15.137 -10.864   7.894
   91    H    SER  11           H        SER  11 -14.484  -4.012   3.504
   92    HA   SER  11           HA       SER  11 -11.852  -3.075   2.667
   93   1HB   SER  11          1HB       SER  11 -13.212  -1.414   1.211
   94   2HB   SER  11          2HB       SER  11 -13.085  -3.071   0.653
   95    HG   SER  11           HG       SER  11 -15.275  -2.550   2.360
   96    H    LYS  12           H        LYS  12 -11.463  -0.722   3.095
   97    HA   LYS  12           HA       LYS  12 -13.285   0.401   5.086
   98   1HB   LYS  12          1HB       LYS  12 -10.980  -0.861   5.863
   99   2HB   LYS  12          2HB       LYS  12 -10.419   0.788   5.676
  100   1HG   LYS  12          1HG       LYS  12 -11.214   0.554   7.953
  101   2HG   LYS  12          2HG       LYS  12 -12.368   1.562   7.101
  102   1HD   LYS  12          1HD       LYS  12 -13.105  -1.241   6.788
  103   2HD   LYS  12          2HD       LYS  12 -12.883  -0.880   8.489
  104   1HE   LYS  12          1HE       LYS  12 -14.486   1.022   6.754
  105   2HE   LYS  12          2HE       LYS  12 -15.235  -0.447   7.347
  106   1HZ   LYS  12          1HZ       LYS  12 -15.132   1.791   8.727
  107   2HZ   LYS  12          2HZ       LYS  12 -15.227   0.321   9.431
  108    H    THR  13           H        THR  13 -12.986   2.774   5.350
  109    HA   THR  13           HA       THR  13 -12.148   3.919   2.784
  110    HB   THR  13           HB       THR  13 -13.983   4.889   5.037
  111    HG1  THR  13           1HG      THR  13 -14.438   3.099   3.294
  112   1HG2  THR  13          1HG2      THR  13 -14.674   6.565   3.197
  113   2HG2  THR  13          2HG2      THR  13 -13.111   6.895   3.983
  114    H    CYS  14           H        CYS  14 -10.607   5.499   2.585
  115    HA   CYS  14           HA       CYS  14  -8.789   5.653   4.792
  116   1HB   CYS  14          1HB       CYS  14  -8.671   7.001   2.086
  117   2HB   CYS  14          2HB       CYS  14  -7.369   6.914   3.257
  118    HA   PRO  15           HA       PRO  15 -10.827   9.325   6.152
  119   1HB   PRO  15          1HB       PRO  15  -9.537   9.557   8.551
  120   2HB   PRO  15          2HB       PRO  15 -10.973   8.578   8.325
  121   1HG   PRO  15          1HG       PRO  15  -8.163   7.708   8.615
  122   2HG   PRO  15          2HG       PRO  15  -9.629   6.769   8.814
  123   1HD   PRO  15          1HD       PRO  15  -7.852   6.719   6.563
  124   2HD   PRO  15          2HD       PRO  15  -9.377   5.868   6.714
  125    H    ALA  16           H        ALA  16 -10.324  11.585   6.755
  126    HA   ALA  16           HA       ALA  16  -8.657  12.734   4.998
  127   1HB   ALA  16          1HB       ALA  16 -10.188  13.528   7.189
  128   2HB   ALA  16          2HB       ALA  16  -8.548  14.082   7.601
  129    H    GLY  17           H        GLY  17  -6.474  13.602   5.049
  130   1HA   GLY  17          1HA       GLY  17  -4.331  13.763   5.933
  131   2HA   GLY  17          2HA       GLY  17  -4.700  12.517   7.108
  132    H    LYS  18           H        LYS  18  -5.877  10.555   5.315
  133    HA   LYS  18           HA       LYS  18  -3.521   9.899   3.686
  134   1HB   LYS  18          1HB       LYS  18  -4.339   7.463   4.229
  135   2HB   LYS  18          2HB       LYS  18  -3.310   8.336   5.347
  136   1HG   LYS  18          1HG       LYS  18  -5.426   9.126   6.547
  137   2HG   LYS  18          2HG       LYS  18  -6.345   8.051   5.513
  138   1HD   LYS  18          1HD       LYS  18  -5.934   6.386   6.996
  139   2HD   LYS  18          2HD       LYS  18  -4.255   6.428   6.495
  140   1HE   LYS  18          1HE       LYS  18  -3.988   8.390   8.205
  141   2HE   LYS  18          2HE       LYS  18  -5.541   7.882   8.838
  142   1HZ   LYS  18          1HZ       LYS  18  -4.475   6.322   9.935
  143   2HZ   LYS  18          2HZ       LYS  18  -4.009   5.612   8.540
  144    H    ASN  19           H        ASN  19  -4.065  10.219   1.592
  145    HA   ASN  19           HA       ASN  19  -6.752   9.368   0.846
  146   1HB   ASN  19          1HB       ASN  19  -5.027  11.695   0.006
  147   2HB   ASN  19          2HB       ASN  19  -6.023  10.970  -1.240
  148   1HD2  ASN  19          1HD2      ASN  19  -6.077  13.571   0.266
  149   2HD2  ASN  19          2HD2      ASN  19  -7.697  13.745   0.853
  150    H    LEU  20           H        LEU  20  -3.658   8.311   0.921
  151    HA   LEU  20           HA       LEU  20  -3.784   7.174  -1.786
  152   1HB   LEU  20          1HB       LEU  20  -1.314   7.836  -0.177
  153   2HB   LEU  20          2HB       LEU  20  -1.349   7.097  -1.766
  154    HG   LEU  20           HG       LEU  20  -2.626   9.786  -1.357
  155   1HD1  LEU  20          1HD1      LEU  20  -0.532  10.211  -0.361
  156   2HD1  LEU  20          2HD1      LEU  20   0.335   9.227  -1.563
  157   1HD2  LEU  20          1HD2      LEU  20  -2.289   8.075  -3.543
  158   2HD2  LEU  20          2HD2      LEU  20  -2.823   9.773  -3.569
  159    H    CYS  21           H        CYS  21  -3.873   4.979  -1.917
  160    HA   CYS  21           HA       CYS  21  -3.936   3.563   0.592
  161   1HB   CYS  21          1HB       CYS  21  -4.514   2.665  -2.238
  162   2HB   CYS  21          2HB       CYS  21  -4.669   1.649  -0.818
  163    H    TYR  22           H        TYR  22  -2.363   2.062   1.258
  164    HA   TYR  22           HA       TYR  22  -0.108   1.679  -0.593
  165   1HB   TYR  22          1HB       TYR  22   1.342   2.140   1.273
  166   2HB   TYR  22          2HB       TYR  22   0.049   3.299   1.514
  167    HD1  TYR  22           1HD      TYR  22   1.073  -0.167   2.504
  168    HD2  TYR  22           2HD      TYR  22  -1.059   3.385   3.571
  169    HE1  TYR  22           1HE      TYR  22   0.652  -1.109   4.827
  170    HE2  TYR  22           2HE      TYR  22  -1.473   2.432   5.891
  171    HH   TYR  22           HH       TYR  22  -1.122   0.796   7.250
  172    H    LYS  23           H        LYS  23   1.018  -0.351  -0.419
  173    HA   LYS  23           HA       LYS  23  -0.287  -2.341   1.272
  174   1HB   LYS  23          1HB       LYS  23  -1.473  -2.708  -0.721
  175   2HB   LYS  23          2HB       LYS  23  -0.072  -2.421  -1.733
  176   1HG   LYS  23          1HG       LYS  23   0.869  -4.532  -1.283
  177   2HG   LYS  23          2HG       LYS  23   0.045  -4.692   0.256
  178   1HD   LYS  23          1HD       LYS  23  -1.575  -5.905  -0.761
  179   2HD   LYS  23          2HD       LYS  23  -2.020  -4.494  -1.701
  180   1HE   LYS  23          1HE       LYS  23  -0.699  -5.135  -3.554
  181   2HE   LYS  23          2HE       LYS  23   0.363  -6.137  -2.585
  182   1HZ   LYS  23          1HZ       LYS  23  -1.495  -7.177  -4.030
  183   2HZ   LYS  23          2HZ       LYS  23  -1.127  -7.826  -2.578
  184    H    MET  24           H        MET  24   1.215  -3.422   2.428
  185    HA   MET  24           HA       MET  24   3.935  -3.307   1.387
  186   1HB   MET  24          1HB       MET  24   2.845  -3.663   4.234
  187   2HB   MET  24          2HB       MET  24   4.551  -3.715   3.837
  188   1HG   MET  24          1HG       MET  24   4.129  -1.356   2.730
  189   2HG   MET  24          2HG       MET  24   2.655  -1.347   3.678
  190   1HE   MET  24          1HE       MET  24   4.797   0.946   5.904
  191   2HE   MET  24          2HE       MET  24   4.716   0.907   4.126
  192    H    PHE  25           H        PHE  25   4.825  -5.190   0.659
  193    HA   PHE  25           HA       PHE  25   3.951  -7.670   1.916
  194   1HB   PHE  25          1HB       PHE  25   3.609  -8.650  -0.345
  195   2HB   PHE  25          2HB       PHE  25   2.607  -7.221  -0.197
  196    HD1  PHE  25           1HD      PHE  25   3.305  -5.106  -1.320
  197    HD2  PHE  25           2HD      PHE  25   5.361  -8.764  -1.954
  198    HE1  PHE  25           1HE      PHE  25   4.351  -4.158  -3.395
  199    HE2  PHE  25           2HE      PHE  25   6.407  -7.816  -4.030
  200    HZ   PHE  25           HZ       PHE  25   5.890  -5.524  -4.725
  201    H    MET  26           H        MET  26   5.492  -9.424   1.702
  202    HA   MET  26           HA       MET  26   8.153  -8.384   1.314
  203   1HB   MET  26          1HB       MET  26   7.033 -11.014   2.426
  204   2HB   MET  26          2HB       MET  26   8.752 -10.696   2.303
  205   1HG   MET  26          1HG       MET  26   7.823  -8.398   3.585
  206   2HG   MET  26          2HG       MET  26   6.777  -9.638   4.248
  207   1HE   MET  26          1HE       MET  26   9.099  -9.478   7.132
  208   2HE   MET  26          2HE       MET  26   7.597  -8.940   6.344
  209    H    VAL  27           H        VAL  27   9.778  -9.531   0.010
  210    HA   VAL  27           HA       VAL  27   8.829 -10.204  -2.522
  211    HB   VAL  27           HB       VAL  27  11.060  -9.289  -1.939
  212   1HG1  VAL  27          1HG1      VAL  27  12.579 -11.612  -1.505
  213   2HG1  VAL  27          2HG1      VAL  27  12.262 -10.296  -0.349
  214   1HG2  VAL  27          1HG2      VAL  27  10.970 -10.013  -4.139
  215   2HG2  VAL  27          2HG2      VAL  27  12.336 -10.961  -3.504
  216    H    ALA  28           H        ALA  28   8.834 -11.989   0.415
  217    HA   ALA  28           HA       ALA  28   9.447 -14.520  -0.115
  218   1HB   ALA  28          1HB       ALA  28   7.842 -13.149   1.720
  219   2HB   ALA  28          2HB       ALA  28   6.753 -14.371   1.021
  220    H    ALA  29           H        ALA  29   6.605 -12.738  -1.416
  221    HA   ALA  29           HA       ALA  29   6.456 -14.666  -3.558
  222   1HB   ALA  29          1HB       ALA  29   4.679 -15.814  -2.804
  223   2HB   ALA  29          2HB       ALA  29   4.781 -14.926  -1.264
  224    HA   PRO  30           HA       PRO  30   5.291 -11.030  -5.588
  225   1HB   PRO  30          1HB       PRO  30   4.127 -12.016  -7.856
  226   2HB   PRO  30          2HB       PRO  30   5.862 -11.902  -7.641
  227   1HG   PRO  30          1HG       PRO  30   4.134 -14.297  -7.527
  228   2HG   PRO  30          2HG       PRO  30   5.871 -14.206  -7.740
  229   1HD   PRO  30          1HD       PRO  30   4.471 -14.913  -5.338
  230   2HD   PRO  30          2HD       PRO  30   6.202 -14.708  -5.521
  231    H    HIS  31           H        HIS  31   2.979 -13.223  -4.487
  232    HA   HIS  31           HA       HIS  31   1.066 -11.038  -4.466
  233   1HB   HIS  31          1HB       HIS  31   0.714 -12.591  -6.485
  234   2HB   HIS  31          2HB       HIS  31   0.214 -13.805  -5.324
  235    HD1  HIS  31           1HD      HIS  31  -2.276 -13.934  -5.467
  236    HD2  HIS  31           2HD      HIS  31  -0.899  -9.972  -5.501
  237    HE1  HIS  31           1HE      HIS  31  -4.355 -12.455  -5.459
  238    H    VAL  32           H        VAL  32   2.254 -11.263  -2.237
  239    HA   VAL  32           HA       VAL  32   0.425 -12.709  -0.542
  240    HB   VAL  32           HB       VAL  32   3.329 -13.431  -0.832
  241   1HG1  VAL  32          1HG1      VAL  32   2.946 -14.765   1.343
  242   2HG1  VAL  32          2HG1      VAL  32   3.275 -13.021   1.479
  243   1HG2  VAL  32          1HG2      VAL  32   1.814 -14.821  -2.075
  244   2HG2  VAL  32          2HG2      VAL  32   2.368 -15.746  -0.659
  245    HA   PRO  33           HA       PRO  33   1.622  -8.744   1.111
  246   1HB   PRO  33          1HB       PRO  33  -0.853  -8.029   2.025
  247   2HB   PRO  33          2HB       PRO  33  -0.266  -7.617   0.426
  248   1HG   PRO  33          1HG       PRO  33  -2.238  -9.678   1.202
  249   2HG   PRO  33          2HG       PRO  33  -1.956  -8.966  -0.375
  250   1HD   PRO  33          1HD       PRO  33  -1.118 -11.563   0.511
  251   2HD   PRO  33          2HD       PRO  33  -0.738 -10.805  -1.023
  252    H    VAL  34           H        VAL  34   1.704  -7.784   3.284
  253    HA   VAL  34           HA       VAL  34   1.367  -9.955   5.237
  254    HB   VAL  34           HB       VAL  34   3.701  -9.547   4.765
  255   1HG1  VAL  34          1HG1      VAL  34   4.681  -7.277   5.402
  256   2HG1  VAL  34          2HG1      VAL  34   3.763  -7.352   3.879
  257   1HG2  VAL  34          1HG2      VAL  34   4.217  -9.837   6.922
  258   2HG2  VAL  34          2HG2      VAL  34   3.723  -8.177   7.336
  259    H    LYS  35           H        LYS  35   1.182  -6.438   4.515
  260    HA   LYS  35           HA       LYS  35  -1.046  -6.174   6.250
  261   1HB   LYS  35          1HB       LYS  35   0.614  -6.177   8.002
  262   2HB   LYS  35          2HB       LYS  35   1.595  -4.998   7.155
  263   1HG   LYS  35          1HG       LYS  35  -0.797  -3.649   7.251
  264   2HG   LYS  35          2HG       LYS  35  -0.924  -4.602   8.716
  265   1HD   LYS  35          1HD       LYS  35   0.990  -3.611   9.695
  266   2HD   LYS  35          2HD       LYS  35   1.654  -3.119   8.150
  267   1HE   LYS  35          1HE       LYS  35   0.835  -1.059   8.783
  268   2HE   LYS  35          2HE       LYS  35  -0.644  -1.675   8.073
  269   1HZ   LYS  35          1HZ       LYS  35  -0.032  -1.189  10.809
  270   2HZ   LYS  35          2HZ       LYS  35  -1.485  -1.287  10.070
  271    H    ARG  36           H        ARG  36  -2.227  -4.348   5.709
  272    HA   ARG  36           HA       ARG  36  -0.950  -2.410   3.861
  273   1HB   ARG  36          1HB       ARG  36  -3.466  -4.037   3.358
  274   2HB   ARG  36          2HB       ARG  36  -3.072  -2.549   2.465
  275   1HG   ARG  36          1HG       ARG  36  -1.698  -3.718   1.116
  276   2HG   ARG  36          2HG       ARG  36  -0.727  -4.208   2.524
  277   1HD   ARG  36          1HD       ARG  36  -1.439  -6.264   1.632
  278   2HD   ARG  36          2HD       ARG  36  -2.613  -5.960   2.931
  279    HE   ARG  36           HE       ARG  36  -3.569  -4.847   0.474
  280   1HH1  ARG  36          1HH1      ARG  36  -5.563  -7.650  -0.307
  281   2HH1  ARG  36          2HH1      ARG  36  -5.252  -5.963  -0.650
  282   1HH2  ARG  36          1HH2      ARG  36  -4.287  -8.767   1.276
  283   2HH2  ARG  36          2HH2      ARG  36  -3.013  -7.923   2.127
  284    H    GLY  37           H        GLY  37  -2.569  -0.514   3.440
  285   1HA   GLY  37          1HA       GLY  37  -4.702   0.048   5.094
  286   2HA   GLY  37          2HA       GLY  37  -3.278   0.536   5.992
  287    H    CYS  38           H        CYS  38  -4.334   2.743   5.728
  288    HA   CYS  38           HA       CYS  38  -3.770   3.835   3.073
  289   1HB   CYS  38          1HB       CYS  38  -5.549   4.944   5.255
  290   2HB   CYS  38          2HB       CYS  38  -5.267   5.679   3.689
  291    H    ILE  39           H        ILE  39  -2.637   5.945   3.011
  292    HA   ILE  39           HA       ILE  39  -1.527   6.980   5.427
  293    HB   ILE  39           HB       ILE  39  -0.173   4.859   4.733
  294   1HG1  ILE  39          1HG1      ILE  39   1.739   7.038   5.196
  295   2HG1  ILE  39          2HG1      ILE  39   0.344   7.111   6.254
  296   1HG2  ILE  39          1HG2      ILE  39   1.714   5.374   3.234
  297   2HG2  ILE  39          2HG2      ILE  39   0.144   5.421   2.396
  298   1HD1  ILE  39          1HD1      ILE  39   2.436   4.955   6.008
  299   2HD1  ILE  39          2HD1      ILE  39   1.713   5.669   7.470
  300    H    ASP  40           H        ASP  40   0.480   8.539   4.446
  301    HA   ASP  40           HA       ASP  40  -0.874  10.047   2.258
  302   1HB   ASP  40          1HB       ASP  40   0.252  12.049   3.308
  303   2HB   ASP  40          2HB       ASP  40  -1.011  11.296   4.305
  304    HD2  ASP  40           HD       ASP  40   1.291  10.204   6.663
  305    H    VAL  41           H        VAL  41   2.303   9.233   3.795
  306    HA   VAL  41           HA       VAL  41   3.519   9.734   1.168
  307    HB   VAL  41           HB       VAL  41   5.615  10.053   2.446
  308   1HG1  VAL  41          1HG1      VAL  41   3.430  11.819   2.156
  309   2HG1  VAL  41          2HG1      VAL  41   4.087  12.104   3.785
  310   1HG2  VAL  41          1HG2      VAL  41   4.863   8.712   4.448
  311   2HG2  VAL  41          2HG2      VAL  41   5.641  10.267   4.828
  312    H    CYS  42           H        CYS  42   4.884   8.145   0.272
  313    HA   CYS  42           HA       CYS  42   4.490   5.525   1.478
  314   1HB   CYS  42          1HB       CYS  42   4.233   6.419  -1.126
  315   2HB   CYS  42          2HB       CYS  42   5.794   5.623  -1.141
  316    HA   PRO  43           HA       PRO  43   8.691   5.652   2.688
  317   1HB   PRO  43          1HB       PRO  43   8.960   3.075   3.559
  318   2HB   PRO  43          2HB       PRO  43   8.271   4.352   4.542
  319   1HG   PRO  43          1HG       PRO  43   6.894   2.140   3.147
  320   2HG   PRO  43          2HG       PRO  43   6.304   3.151   4.451
  321   1HD   PRO  43          1HD       PRO  43   5.610   3.351   1.675
  322   2HD   PRO  43          2HD       PRO  43   5.112   4.433   2.960
  323    H    LYS  44           H        LYS  44  10.857   4.843   2.229
  324    HA   LYS  44           HA       LYS  44  11.146   4.455  -0.501
  325   1HB   LYS  44          1HB       LYS  44  12.875   5.385   0.980
  326   2HB   LYS  44          2HB       LYS  44  13.075   3.826   1.754
  327   1HG   LYS  44          1HG       LYS  44  13.447   2.985  -0.764
  328   2HG   LYS  44          2HG       LYS  44  13.844   4.668  -1.044
  329   1HD   LYS  44          1HD       LYS  44  15.219   4.003   1.342
  330   2HD   LYS  44          2HD       LYS  44  15.414   2.596   0.316
  331   1HE   LYS  44          1HE       LYS  44  17.148   3.782  -0.601
  332   2HE   LYS  44          2HE       LYS  44  15.889   4.588  -1.515
  333   1HZ   LYS  44          1HZ       LYS  44  17.259   6.183  -0.428
  334   2HZ   LYS  44          2HZ       LYS  44  15.780   6.236   0.262
  335    H    SER  45           H        SER  45  11.575   2.630  -1.803
  336    HA   SER  45           HA       SER  45  10.504   0.212  -0.648
  337   1HB   SER  45          1HB       SER  45  10.871   1.299  -3.423
  338   2HB   SER  45          2HB       SER  45  10.884  -0.444  -3.247
  339    HG   SER  45           HG       SER  45   8.734   0.268  -3.621
  340    H    SER  46           H        SER  46  11.802  -1.496  -0.052
  341    HA   SER  46           HA       SER  46  14.585  -1.306  -0.880
  342   1HB   SER  46          1HB       SER  46  15.162  -2.509   1.114
  343   2HB   SER  46          2HB       SER  46  13.999  -1.290   1.597
  344    HG   SER  46           HG       SER  46  12.496  -3.378   0.964
  345    H    LEU  47           H        LEU  47  15.619  -3.747  -0.771
  346    HA   LEU  47           HA       LEU  47  14.315  -5.125  -2.894
  347   1HB   LEU  47          1HB       LEU  47  16.834  -5.468  -1.314
  348   2HB   LEU  47          2HB       LEU  47  16.251  -6.791  -2.305
  349    HG   LEU  47           HG       LEU  47  16.722  -4.010  -3.401
  350   1HD1  LEU  47          1HD1      LEU  47  18.678  -6.232  -3.848
  351   2HD1  LEU  47          2HD1      LEU  47  18.912  -4.468  -3.905
  352   1HD2  LEU  47          1HD2      LEU  47  16.440  -6.705  -4.759
  353   2HD2  LEU  47          2HD2      LEU  47  15.228  -5.402  -4.732
  354    H    LEU  48           H        LEU  48  15.199  -6.066   0.507
  355    HA   LEU  48           HA       LEU  48  13.948  -8.468   0.593
  356   1HB   LEU  48          1HB       LEU  48  15.347  -7.141   2.330
  357   2HB   LEU  48          2HB       LEU  48  13.797  -6.558   2.904
  358    HG   LEU  48           HG       LEU  48  13.137  -9.059   3.065
  359   1HD1  LEU  48          1HD1      LEU  48  14.891 -10.102   1.855
  360   2HD1  LEU  48          2HD1      LEU  48  16.143  -9.274   2.812
  361   1HD2  LEU  48          1HD2      LEU  48  15.193  -7.884   4.958
  362   2HD2  LEU  48          2HD2      LEU  48  13.438  -7.586   4.990
  363    H    VAL  49           H        VAL  49  12.426  -5.312   1.577
  364    HA   VAL  49           HA       VAL  49   9.853  -6.542   0.863
  365    HB   VAL  49           HB       VAL  49   8.845  -5.168   2.598
  366   1HG1  VAL  49          1HG1      VAL  49  11.094  -6.510   4.049
  367   2HG1  VAL  49          2HG1      VAL  49   9.339  -6.589   4.333
  368   1HG2  VAL  49          1HG2      VAL  49  11.656  -4.136   2.926
  369   2HG2  VAL  49          2HG2      VAL  49  10.124  -3.236   2.817
  370    H    LYS  50           H        LYS  50   8.332  -5.210  -0.250
  371    HA   LYS  50           HA       LYS  50   9.403  -2.642  -1.161
  372   1HB   LYS  50          1HB       LYS  50   8.998  -5.041  -2.763
  373   2HB   LYS  50          2HB       LYS  50   8.032  -3.706  -3.358
  374   1HG   LYS  50          1HG       LYS  50  10.465  -2.464  -2.793
  375   2HG   LYS  50          2HG       LYS  50  10.978  -4.044  -3.350
  376   1HD   LYS  50          1HD       LYS  50   8.853  -2.600  -4.936
  377   2HD   LYS  50          2HD       LYS  50  10.507  -2.037  -5.071
  378   1HE   LYS  50          1HE       LYS  50  11.165  -3.872  -6.277
  379   2HE   LYS  50          2HE       LYS  50  10.283  -4.985  -5.250
  380   1HZ   LYS  50          1HZ       LYS  50   8.735  -3.252  -6.978
  381   2HZ   LYS  50          2HZ       LYS  50   9.538  -4.489  -7.679
  382    H    TYR  51           H        TYR  51   7.808  -1.049  -1.613
  383    HA   TYR  51           HA       TYR  51   5.098  -1.832  -0.776
  384   1HB   TYR  51          1HB       TYR  51   6.531   0.861  -0.392
  385   2HB   TYR  51          2HB       TYR  51   5.047   0.352   0.389
  386    HD1  TYR  51           1HD      TYR  51   5.966  -2.469   1.169
  387    HD2  TYR  51           2HD      TYR  51   7.833   1.363   1.535
  388    HE1  TYR  51           1HE      TYR  51   7.307  -3.305   3.161
  389    HE2  TYR  51           2HE      TYR  51   9.167   0.515   3.526
  390    HH   TYR  51           HH       TYR  51   8.980  -2.875   4.508
  391    H    VAL  52           H        VAL  52   3.342  -0.665  -1.772
  392    HA   VAL  52           HA       VAL  52   4.134   0.932  -4.096
  393    HB   VAL  52           HB       VAL  52   2.278  -1.446  -4.017
  394   1HG1  VAL  52          1HG1      VAL  52   2.168  -0.598  -6.608
  395   2HG1  VAL  52          2HG1      VAL  52   0.933  -0.242  -5.376
  396   1HG2  VAL  52          1HG2      VAL  52   4.969  -0.910  -5.048
  397   2HG2  VAL  52          2HG2      VAL  52   4.144  -2.457  -4.742
  398    H    CYS  53           H        CYS  53   2.747   2.664  -4.563
  399    HA   CYS  53           HA       CYS  53   0.472   2.926  -2.739
  400   1HB   CYS  53          1HB       CYS  53   2.705   4.850  -3.253
  401   2HB   CYS  53          2HB       CYS  53   1.098   5.482  -2.954
  402    H    CYS  54           H        CYS  54  -1.307   4.229  -3.658
  403    HA   CYS  54           HA       CYS  54  -1.099   5.209  -6.306
  404   1HB   CYS  54          1HB       CYS  54  -3.094   3.514  -6.935
  405   2HB   CYS  54          2HB       CYS  54  -1.415   3.274  -7.376
  406    H    ASN  55           H        ASN  55  -3.052   6.429  -6.848
  407    HA   ASN  55           HA       ASN  55  -4.718   6.813  -4.495
  408   1HB   ASN  55          1HB       ASN  55  -5.284   9.038  -5.638
  409   2HB   ASN  55          2HB       ASN  55  -3.612   8.874  -5.140
  410   1HD2  ASN  55          1HD2      ASN  55  -2.002   8.399  -6.675
  411   2HD2  ASN  55          2HD2      ASN  55  -2.203   8.752  -8.359
  412    H    THR  56           H        THR  56  -5.664   4.641  -5.618
  413    HA   THR  56           HA       THR  56  -7.952   5.521  -7.203
  414    HB   THR  56           HB       THR  56  -7.534   3.542  -8.755
  415    HG1  THR  56           1HG      THR  56  -5.396   2.605  -8.510
  416   1HG2  THR  56          1HG2      THR  56  -5.729   4.565 -10.059
  417   2HG2  THR  56          2HG2      THR  56  -6.714   5.881  -9.377
  418    H    ASP  57           H        ASP  57  -9.660   3.833  -7.277
  419    HA   ASP  57           HA       ASP  57 -10.102   2.831  -4.619
  420   1HB   ASP  57          1HB       ASP  57 -11.542   2.952  -7.214
  421   2HB   ASP  57          2HB       ASP  57 -11.992   1.601  -6.150
  422    HD2  ASP  57           HD       ASP  57 -13.646   4.899  -5.355
  423    H    LYS  58           H        LYS  58  -9.897   0.780  -3.768
  424    HA   LYS  58           HA       LYS  58  -8.871  -1.186  -3.557
  425   1HB   LYS  58          1HB       LYS  58  -9.751  -2.930  -5.115
  426   2HB   LYS  58          2HB       LYS  58 -10.984  -1.932  -4.371
  427   1HG   LYS  58          1HG       LYS  58 -11.179  -0.560  -6.408
  428   2HG   LYS  58          2HG       LYS  58  -9.833  -1.402  -7.150
  429   1HD   LYS  58          1HD       LYS  58 -11.395  -3.553  -6.588
  430   2HD   LYS  58          2HD       LYS  58 -12.655  -2.341  -6.709
  431   1HE   LYS  58          1HE       LYS  58 -11.968  -1.740  -8.975
  432   2HE   LYS  58          2HE       LYS  58 -10.517  -2.714  -8.855
  433   1HZ   LYS  58          1HZ       LYS  58 -11.822  -4.220  -9.825
  434   2HZ   LYS  58          2HZ       LYS  58 -12.377  -4.511  -8.317
  435    H    CYS  59           H        CYS  59  -7.036   0.642  -4.453
  436    HA   CYS  59           HA       CYS  59  -5.763  -0.434  -6.800
  437   1HB   CYS  59          1HB       CYS  59  -4.607   1.488  -6.906
  438   2HB   CYS  59          2HB       CYS  59  -5.918   2.066  -5.897
  439    H    ASN  60           H        ASN  60  -5.187  -0.096  -3.234
  440    HA   ASN  60           HA       ASN  60  -2.793  -1.607  -3.390
  441   1HB   ASN  60          1HB       ASN  60  -2.640  -1.239  -1.023
  442   2HB   ASN  60          2HB       ASN  60  -3.415   0.207  -1.638
  443   1HD2  ASN  60          1HD2      ASN  60  -3.529  -0.854   1.013
  444   2HD2  ASN  60          2HD2      ASN  60  -5.181  -1.207   1.395
  445   1H    HOH  61          1H        HOH  61   4.407 -10.309   1.524
  446   2H    HOH  61          2H        HOH  61   4.211 -10.099   3.010
  447   1H    HOH  62          1H        HOH  62   7.438 -16.468  -7.050
  448   2H    HOH  62          2H        HOH  62   8.456 -17.133  -6.150
  Start of MODEL   18
    1    H    LEU   1           H        LEU   1  -9.556   7.095   0.348
    2    HA   LEU   1           HA       LEU   1 -11.243   7.104  -1.481
    3   1HB   LEU   1          1HB       LEU   1  -8.914   5.750  -2.806
    4   2HB   LEU   1          2HB       LEU   1 -10.556   5.391  -3.302
    5    HG   LEU   1           HG       LEU   1  -9.447   8.205  -3.242
    6   1HD1  LEU   1          1HD1      LEU   1  -9.349   7.812  -5.809
    7   2HD1  LEU   1          2HD1      LEU   1  -8.012   7.240  -4.781
    8   1HD2  LEU   1          1HD2      LEU   1 -11.652   7.308  -5.045
    9   2HD2  LEU   1          2HD2      LEU   1 -12.011   7.541  -3.317
   10    H    LYS   2           H        LYS   2 -12.262   4.766  -2.196
   11    HA   LYS   2           HA       LYS   2 -12.300   3.319   0.318
   12   1HB   LYS   2          1HB       LYS   2 -14.431   4.000  -0.596
   13   2HB   LYS   2          2HB       LYS   2 -14.077   3.244  -2.136
   14   1HG   LYS   2          1HG       LYS   2 -13.798   1.030  -0.767
   15   2HG   LYS   2          2HG       LYS   2 -14.593   1.889   0.538
   16   1HD   LYS   2          1HD       LYS   2 -16.590   1.383  -0.405
   17   2HD   LYS   2          2HD       LYS   2 -16.179   2.425  -1.752
   18   1HE   LYS   2          1HE       LYS   2 -14.953  -0.312  -1.794
   19   2HE   LYS   2          2HE       LYS   2 -16.690  -0.248  -2.019
   20   1HZ   LYS   2          1HZ       LYS   2 -15.968   0.071  -4.122
   21   2HZ   LYS   2          2HZ       LYS   2 -16.029   1.636  -3.660
   22    H    CYS   3           H        CYS   3 -10.685   1.852   0.559
   23    HA   CYS   3           HA       CYS   3 -10.233   0.083  -1.734
   24   1HB   CYS   3          1HB       CYS   3  -8.218   1.185   0.229
   25   2HB   CYS   3          2HB       CYS   3  -7.895  -0.188  -0.811
   26    H    LYS   4           H        LYS   4  -8.756  -1.910  -0.504
   27    HA   LYS   4           HA       LYS   4 -10.681  -2.905   1.454
   28   1HB   LYS   4          1HB       LYS   4  -8.690  -4.276  -0.366
   29   2HB   LYS   4          2HB       LYS   4  -9.535  -5.116   0.918
   30   1HG   LYS   4          1HG       LYS   4 -11.716  -4.549  -0.063
   31   2HG   LYS   4          2HG       LYS   4 -10.957  -3.523  -1.264
   32   1HD   LYS   4          1HD       LYS   4  -9.678  -6.082  -1.453
   33   2HD   LYS   4          2HD       LYS   4 -11.399  -6.393  -1.347
   34   1HE   LYS   4          1HE       LYS   4 -11.396  -5.981  -3.599
   35   2HE   LYS   4          2HE       LYS   4 -11.393  -4.294  -3.127
   36   1HZ   LYS   4          1HZ       LYS   4  -9.624  -4.917  -4.690
   37   2HZ   LYS   4          2HZ       LYS   4  -9.049  -4.243  -3.318
   38    H    LYS   5           H        LYS   5  -9.908  -3.989   3.407
   39    HA   LYS   5           HA       LYS   5  -7.614  -2.584   4.467
   40   1HB   LYS   5          1HB       LYS   5  -9.781  -4.305   5.684
   41   2HB   LYS   5          2HB       LYS   5  -8.389  -3.770   6.603
   42   1HG   LYS   5          1HG       LYS   5  -9.002  -1.369   5.714
   43   2HG   LYS   5          2HG       LYS   5 -10.558  -2.074   5.322
   44   1HD   LYS   5          1HD       LYS   5  -9.390  -2.470   8.092
   45   2HD   LYS   5          2HD       LYS   5 -10.176  -0.955   7.693
   46   1HE   LYS   5          1HE       LYS   5 -12.200  -1.914   8.042
   47   2HE   LYS   5          2HE       LYS   5 -11.896  -3.032   6.727
   48   1HZ   LYS   5          1HZ       LYS   5 -11.279  -3.399   9.563
   49   2HZ   LYS   5          2HZ       LYS   5 -12.210  -4.333   8.601
   50    H    LEU   6           H        LEU   6  -6.590  -4.398   6.315
   51    HA   LEU   6           HA       LEU   6  -4.651  -5.678   4.961
   52   1HB   LEU   6          1HB       LEU   6  -5.894  -6.769   7.483
   53   2HB   LEU   6          2HB       LEU   6  -4.237  -6.946   6.939
   54    HG   LEU   6           HG       LEU   6  -4.462  -4.217   7.070
   55   1HD1  LEU   6          1HD1      LEU   6  -6.103  -3.523   8.387
   56   2HD1  LEU   6          2HD1      LEU   6  -6.711  -5.193   8.488
   57   1HD2  LEU   6          1HD2      LEU   6  -2.653  -4.562   8.303
   58   2HD2  LEU   6          2HD2      LEU   6  -3.642  -5.190   9.644
   59    H    VAL   7           H        VAL   7  -7.384  -7.582   6.406
   60    HA   VAL   7           HA       VAL   7  -6.955  -9.599   4.387
   61    HB   VAL   7           HB       VAL   7  -8.811  -9.381   6.762
   62   1HG1  VAL   7          1HG1      VAL   7  -9.582 -11.559   6.381
   63   2HG1  VAL   7          2HG1      VAL   7  -9.601 -10.821   4.762
   64   1HG2  VAL   7          1HG2      VAL   7  -6.225 -10.898   6.294
   65   2HG2  VAL   7          2HG2      VAL   7  -6.522  -9.588   7.462
   66    HA   PRO   8           HA       PRO   8 -10.101  -8.127   1.802
   67   1HB   PRO   8          1HB       PRO   8 -10.439 -10.313   0.196
   68   2HB   PRO   8          2HB       PRO   8  -9.154  -9.144  -0.035
   69   1HG   PRO   8          1HG       PRO   8  -8.996 -11.875   1.086
   70   2HG   PRO   8          2HG       PRO   8  -7.705 -10.869   0.460
   71   1HD   PRO   8          1HD       PRO   8  -8.300 -11.377   3.220
   72   2HD   PRO   8          2HD       PRO   8  -7.084 -10.281   2.594
   73    H    LEU   9           H        LEU   9 -11.150  -8.485   4.195
   74    HA   LEU   9           HA       LEU   9 -13.510 -10.127   3.584
   75   1HB   LEU   9          1HB       LEU   9 -11.925  -9.752   6.094
   76   2HB   LEU   9          2HB       LEU   9 -13.644 -10.075   6.206
   77    HG   LEU   9           HG       LEU   9 -11.746 -11.851   4.659
   78   1HD1  LEU   9          1HD1      LEU   9 -11.594 -11.459   7.380
   79   2HD1  LEU   9          2HD1      LEU   9 -12.669 -12.871   7.244
   80   1HD2  LEU   9          1HD2      LEU   9 -14.499 -12.412   5.794
   81   2HD2  LEU   9          2HD2      LEU   9 -14.155 -11.996   4.098
   82    H    PHE  10           H        PHE  10 -12.171  -7.055   4.821
   83    HA   PHE  10           HA       PHE  10 -14.844  -5.919   4.481
   84   1HB   PHE  10          1HB       PHE  10 -12.850  -5.156   6.683
   85   2HB   PHE  10          2HB       PHE  10 -14.542  -4.709   6.598
   86    HD1  PHE  10           1HD      PHE  10 -12.211  -7.466   7.304
   87    HD2  PHE  10           2HD      PHE  10 -16.255  -6.184   7.390
   88    HE1  PHE  10           1HE      PHE  10 -12.806  -9.439   8.737
   89    HE2  PHE  10           2HE      PHE  10 -16.850  -8.157   8.823
   90    HZ   PHE  10           HZ       PHE  10 -15.119  -9.761   9.480
   91    H    SER  11           H        SER  11 -14.761  -3.474   4.268
   92    HA   SER  11           HA       SER  11 -12.225  -2.737   3.027
   93   1HB   SER  11          1HB       SER  11 -13.702  -1.142   1.632
   94   2HB   SER  11          2HB       SER  11 -13.779  -2.849   1.242
   95    HG   SER  11           HG       SER  11 -15.618  -2.042   3.211
   96    H    LYS  12           H        LYS  12 -11.761  -0.322   3.097
   97    HA   LYS  12           HA       LYS  12 -13.217   1.128   5.136
   98   1HB   LYS  12          1HB       LYS  12 -11.238  -0.342   6.117
   99   2HB   LYS  12          2HB       LYS  12 -10.249   0.973   5.515
  100   1HG   LYS  12          1HG       LYS  12 -10.741   1.837   7.608
  101   2HG   LYS  12          2HG       LYS  12 -12.112   2.483   6.728
  102   1HD   LYS  12          1HD       LYS  12 -13.302   0.222   7.380
  103   2HD   LYS  12          2HD       LYS  12 -12.028   0.074   8.574
  104   1HE   LYS  12          1HE       LYS  12 -12.940   1.684   9.913
  105   2HE   LYS  12          2HE       LYS  12 -13.205   2.776   8.568
  106   1HZ   LYS  12          1HZ       LYS  12 -15.321   2.261   9.027
  107   2HZ   LYS  12          2HZ       LYS  12 -15.040   0.972   8.064
  108    H    THR  13           H        THR  13 -12.674   3.448   5.118
  109    HA   THR  13           HA       THR  13 -11.537   4.210   2.510
  110    HB   THR  13           HB       THR  13 -13.685   5.519   4.260
  111    HG1  THR  13           1HG      THR  13 -13.504   4.042   1.736
  112   1HG2  THR  13          1HG2      THR  13 -12.216   7.088   2.777
  113   2HG2  THR  13          2HG2      THR  13 -12.915   6.216   1.391
  114    H    CYS  14           H        CYS  14  -9.661   5.269   2.492
  115    HA   CYS  14           HA       CYS  14  -8.307   5.822   4.851
  116   1HB   CYS  14          1HB       CYS  14  -7.708   7.178   2.232
  117   2HB   CYS  14          2HB       CYS  14  -6.599   6.729   3.512
  118    HA   PRO  15           HA       PRO  15 -10.393   9.608   5.711
  119   1HB   PRO  15          1HB       PRO  15  -9.307  10.049   8.180
  120   2HB   PRO  15          2HB       PRO  15 -10.721   9.047   7.920
  121   1HG   PRO  15          1HG       PRO  15  -7.946   8.219   8.515
  122   2HG   PRO  15          2HG       PRO  15  -9.425   7.293   8.671
  123   1HD   PRO  15          1HD       PRO  15  -7.468   7.061   6.588
  124   2HD   PRO  15          2HD       PRO  15  -9.002   6.219   6.683
  125    H    ALA  16           H        ALA  16  -9.739  11.892   6.623
  126    HA   ALA  16           HA       ALA  16  -8.141  13.048   4.782
  127   1HB   ALA  16          1HB       ALA  16  -9.618  13.993   6.746
  128   2HB   ALA  16          2HB       ALA  16  -8.077  14.024   7.636
  129    H    GLY  17           H        GLY  17  -5.916  13.914   4.849
  130   1HA   GLY  17          1HA       GLY  17  -3.719  13.885   5.506
  131   2HA   GLY  17          2HA       GLY  17  -4.078  12.682   6.729
  132    H    LYS  18           H        LYS  18  -5.282  10.604   5.335
  133    HA   LYS  18           HA       LYS  18  -3.193   9.889   3.395
  134   1HB   LYS  18          1HB       LYS  18  -3.902   7.485   4.217
  135   2HB   LYS  18          2HB       LYS  18  -2.712   8.432   5.087
  136   1HG   LYS  18          1HG       LYS  18  -4.565   9.295   6.586
  137   2HG   LYS  18          2HG       LYS  18  -5.686   8.233   5.759
  138   1HD   LYS  18          1HD       LYS  18  -4.310   6.254   6.431
  139   2HD   LYS  18          2HD       LYS  18  -3.183   7.314   7.252
  140   1HE   LYS  18          1HE       LYS  18  -4.669   7.789   8.996
  141   2HE   LYS  18          2HE       LYS  18  -6.090   7.562   7.997
  142   1HZ   LYS  18          1HZ       LYS  18  -4.585   5.622   9.467
  143   2HZ   LYS  18          2HZ       LYS  18  -6.163   5.617   9.047
  144    H    ASN  19           H        ASN  19  -4.024  10.045   1.380
  145    HA   ASN  19           HA       ASN  19  -6.766   9.100   1.073
  146   1HB   ASN  19          1HB       ASN  19  -5.260  11.421  -0.118
  147   2HB   ASN  19          2HB       ASN  19  -6.375  10.591  -1.185
  148   1HD2  ASN  19          1HD2      ASN  19  -8.585  10.404  -0.598
  149   2HD2  ASN  19          2HD2      ASN  19  -9.344  11.556   0.449
  150    H    LEU  20           H        LEU  20  -3.835   7.894   0.898
  151    HA   LEU  20           HA       LEU  20  -4.193   6.741  -1.780
  152   1HB   LEU  20          1HB       LEU  20  -1.601   7.429  -0.387
  153   2HB   LEU  20          2HB       LEU  20  -1.734   6.535  -1.888
  154    HG   LEU  20           HG       LEU  20  -3.173   8.848  -2.415
  155   1HD1  LEU  20          1HD1      LEU  20  -2.385  10.636  -1.333
  156   2HD1  LEU  20          2HD1      LEU  20  -1.772   9.475  -0.131
  157   1HD2  LEU  20          1HD2      LEU  20  -0.272   8.832  -3.080
  158   2HD2  LEU  20          2HD2      LEU  20  -1.249   7.448  -3.627
  159    H    CYS  21           H        CYS  21  -4.336   4.542  -1.858
  160    HA   CYS  21           HA       CYS  21  -4.266   3.188   0.686
  161   1HB   CYS  21          1HB       CYS  21  -4.878   1.879  -1.948
  162   2HB   CYS  21          2HB       CYS  21  -5.426   1.441  -0.342
  163    H    TYR  22           H        TYR  22  -2.648   1.738   1.309
  164    HA   TYR  22           HA       TYR  22  -0.578   1.175  -0.706
  165   1HB   TYR  22          1HB       TYR  22   1.042   1.726   0.986
  166   2HB   TYR  22          2HB       TYR  22  -0.206   2.922   1.275
  167    HD1  TYR  22           1HD      TYR  22  -1.315   3.042   3.364
  168    HD2  TYR  22           2HD      TYR  22   1.059  -0.391   2.426
  169    HE1  TYR  22           1HE      TYR  22  -1.521   2.235   5.766
  170    HE2  TYR  22           2HE      TYR  22   0.845  -1.186   4.831
  171    HH   TYR  22           HH       TYR  22  -1.094  -0.703   6.720
  172    H    LYS  23           H        LYS  23   0.788  -0.778  -0.106
  173    HA   LYS  23           HA       LYS  23  -0.520  -2.643   1.674
  174   1HB   LYS  23          1HB       LYS  23  -0.825  -4.370  -0.003
  175   2HB   LYS  23          2HB       LYS  23  -1.765  -2.951  -0.416
  176   1HG   LYS  23          1HG       LYS  23   0.451  -2.296  -1.787
  177   2HG   LYS  23          2HG       LYS  23   0.730  -4.025  -1.733
  178   1HD   LYS  23          1HD       LYS  23  -1.183  -4.521  -3.010
  179   2HD   LYS  23          2HD       LYS  23  -2.012  -3.051  -2.540
  180   1HE   LYS  23          1HE       LYS  23  -1.404  -2.418  -4.682
  181   2HE   LYS  23          2HE       LYS  23   0.046  -1.897  -3.846
  182   1HZ   LYS  23          1HZ       LYS  23  -0.198  -4.601  -4.943
  183   2HZ   LYS  23          2HZ       LYS  23   0.343  -3.352  -5.846
  184    H    MET  24           H        MET  24   0.989  -3.855   2.725
  185    HA   MET  24           HA       MET  24   3.695  -3.613   1.681
  186   1HB   MET  24          1HB       MET  24   2.628  -4.307   4.476
  187   2HB   MET  24          2HB       MET  24   4.331  -4.211   4.073
  188   1HG   MET  24          1HG       MET  24   4.210  -1.841   3.641
  189   2HG   MET  24          2HG       MET  24   2.458  -1.861   3.576
  190   1HE   MET  24          1HE       MET  24   4.615  -0.390   6.963
  191   2HE   MET  24          2HE       MET  24   5.259  -0.783   5.351
  192    H    PHE  25           H        PHE  25   4.858  -5.417   1.060
  193    HA   PHE  25           HA       PHE  25   3.950  -8.017   1.955
  194   1HB   PHE  25          1HB       PHE  25   3.560  -8.800  -0.308
  195   2HB   PHE  25          2HB       PHE  25   2.753  -7.246  -0.242
  196    HD1  PHE  25           1HD      PHE  25   5.621  -9.081  -1.583
  197    HD2  PHE  25           2HD      PHE  25   3.625  -5.339  -1.463
  198    HE1  PHE  25           1HE      PHE  25   6.966  -8.301  -3.553
  199    HE2  PHE  25           2HE      PHE  25   4.969  -4.558  -3.434
  200    HZ   PHE  25           HZ       PHE  25   6.624  -6.048  -4.455
  201    H    MET  26           H        MET  26   5.573  -9.667   1.744
  202    HA   MET  26           HA       MET  26   8.194  -8.559   1.708
  203   1HB   MET  26          1HB       MET  26   7.019 -11.353   2.125
  204   2HB   MET  26          2HB       MET  26   8.752 -11.091   2.116
  205   1HG   MET  26          1HG       MET  26   7.672  -9.086   3.842
  206   2HG   MET  26          2HG       MET  26   6.837 -10.570   4.254
  207   1HE   MET  26          1HE       MET  26   7.758 -12.644   4.467
  208   2HE   MET  26          2HE       MET  26   9.477 -13.103   4.471
  209    H    VAL  27           H        VAL  27   9.913  -9.062   0.249
  210    HA   VAL  27           HA       VAL  27   9.176  -9.317  -2.418
  211    HB   VAL  27           HB       VAL  27  11.244  -8.286  -1.433
  212   1HG1  VAL  27          1HG1      VAL  27  13.036 -10.454  -1.595
  213   2HG1  VAL  27          2HG1      VAL  27  12.561  -9.542  -0.141
  214   1HG2  VAL  27          1HG2      VAL  27  11.853 -10.283  -3.630
  215   2HG2  VAL  27          2HG2      VAL  27  10.873  -8.819  -3.883
  216    H    ALA  28           H        ALA  28   9.363 -11.677   0.086
  217    HA   ALA  28           HA       ALA  28  10.341 -13.929  -0.913
  218   1HB   ALA  28          1HB       ALA  28   8.691 -13.296   1.138
  219   2HB   ALA  28          2HB       ALA  28   7.540 -14.160   0.091
  220    H    ALA  29           H        ALA  29   7.256 -12.374  -1.958
  221    HA   ALA  29           HA       ALA  29   7.464 -13.893  -4.435
  222   1HB   ALA  29          1HB       ALA  29   4.718 -13.874  -3.831
  223   2HB   ALA  29          2HB       ALA  29   5.804 -15.284  -3.821
  224    HA   PRO  30           HA       PRO  30   6.297 -10.035  -6.006
  225   1HB   PRO  30          1HB       PRO  30   5.459 -10.719  -8.515
  226   2HB   PRO  30          2HB       PRO  30   7.148 -10.543  -8.084
  227   1HG   PRO  30          1HG       PRO  30   5.597 -13.020  -8.531
  228   2HG   PRO  30          2HG       PRO  30   7.336 -12.800  -8.522
  229   1HD   PRO  30          1HD       PRO  30   5.740 -13.949  -6.434
  230   2HD   PRO  30          2HD       PRO  30   7.461 -13.623  -6.380
  231    H    HIS  31           H        HIS  31   4.041 -12.510  -5.556
  232    HA   HIS  31           HA       HIS  31   1.984 -10.462  -5.418
  233   1HB   HIS  31          1HB       HIS  31   2.006 -11.749  -7.678
  234   2HB   HIS  31          2HB       HIS  31   1.373 -13.094  -6.750
  235    HD1  HIS  31           1HD      HIS  31   0.454  -9.366  -6.602
  236    HD2  HIS  31           2HD      HIS  31  -1.301 -13.114  -7.289
  237    HE1  HIS  31           1HE      HIS  31  -2.046  -8.944  -6.891
  238    H    VAL  32           H        VAL  32   2.798 -10.886  -3.110
  239    HA   VAL  32           HA       VAL  32   0.953 -12.718  -1.901
  240    HB   VAL  32           HB       VAL  32   3.901 -13.245  -1.991
  241   1HG1  VAL  32          1HG1      VAL  32   3.969 -13.425   0.249
  242   2HG1  VAL  32          2HG1      VAL  32   2.196 -13.382   0.402
  243   1HG2  VAL  32          1HG2      VAL  32   2.714 -14.638  -3.457
  244   2HG2  VAL  32          2HG2      VAL  32   2.939 -15.643  -2.005
  245    HA   PRO  33           HA       PRO  33   1.708  -8.967   0.423
  246   1HB   PRO  33          1HB       PRO  33  -0.909  -8.382   0.948
  247   2HB   PRO  33          2HB       PRO  33  -0.045  -7.749  -0.439
  248   1HG   PRO  33          1HG       PRO  33  -2.077  -9.893  -0.342
  249   2HG   PRO  33          2HG       PRO  33  -1.524  -8.966  -1.723
  250   1HD   PRO  33          1HD       PRO  33  -0.804 -11.665  -1.067
  251   2HD   PRO  33          2HD       PRO  33  -0.163 -10.698  -2.381
  252    H    VAL  34           H        VAL  34   1.594  -8.409   2.666
  253    HA   VAL  34           HA       VAL  34   0.913 -10.817   4.202
  254    HB   VAL  34           HB       VAL  34   3.279 -10.187   4.190
  255   1HG1  VAL  34          1HG1      VAL  34   2.212  -7.543   5.190
  256   2HG1  VAL  34          2HG1      VAL  34   3.880  -8.066   5.524
  257   1HG2  VAL  34          1HG2      VAL  34   2.608 -11.332   6.139
  258   2HG2  VAL  34          2HG2      VAL  34   3.523  -9.925   6.731
  259    H    LYS  35           H        LYS  35   0.561  -7.267   3.888
  260    HA   LYS  35           HA       LYS  35  -1.901  -7.389   5.318
  261   1HB   LYS  35          1HB       LYS  35  -1.351  -6.016   7.193
  262   2HB   LYS  35          2HB       LYS  35  -0.251  -7.380   7.190
  263   1HG   LYS  35          1HG       LYS  35   1.076  -5.460   5.617
  264   2HG   LYS  35          2HG       LYS  35   0.335  -4.507   6.887
  265   1HD   LYS  35          1HD       LYS  35   1.366  -6.744   8.253
  266   2HD   LYS  35          2HD       LYS  35   2.588  -6.400   7.046
  267   1HE   LYS  35          1HE       LYS  35   2.866  -4.126   7.828
  268   2HE   LYS  35          2HE       LYS  35   1.414  -4.207   8.806
  269   1HZ   LYS  35          1HZ       LYS  35   2.562  -6.013  10.054
  270   2HZ   LYS  35          2HZ       LYS  35   3.936  -5.630   9.259
  271    H    ARG  36           H        ARG  36  -2.677  -4.945   5.589
  272    HA   ARG  36           HA       ARG  36  -1.610  -3.242   3.435
  273   1HB   ARG  36          1HB       ARG  36  -4.446  -4.342   3.500
  274   2HB   ARG  36          2HB       ARG  36  -3.918  -2.983   2.477
  275   1HG   ARG  36          1HG       ARG  36  -2.093  -4.551   1.586
  276   2HG   ARG  36          2HG       ARG  36  -2.974  -5.872   2.391
  277   1HD   ARG  36          1HD       ARG  36  -4.479  -3.972   0.603
  278   2HD   ARG  36          2HD       ARG  36  -3.492  -5.252  -0.133
  279    HE   ARG  36           HE       ARG  36  -5.961  -5.584   1.430
  280   1HH1  ARG  36          1HH1      ARG  36  -5.909  -9.048   0.766
  281   2HH1  ARG  36          2HH1      ARG  36  -6.852  -7.716   1.396
  282   1HH2  ARG  36          1HH2      ARG  36  -3.764  -8.674  -0.036
  283   2HH2  ARG  36          2HH2      ARG  36  -3.089  -7.060  -0.011
  284    H    GLY  37           H        GLY  37  -2.930  -1.090   3.390
  285   1HA   GLY  37          1HA       GLY  37  -4.469  -0.327   5.610
  286   2HA   GLY  37          2HA       GLY  37  -2.791   0.050   5.950
  287    H    CYS  38           H        CYS  38  -3.737   2.334   5.931
  288    HA   CYS  38           HA       CYS  38  -3.724   3.315   3.170
  289   1HB   CYS  38          1HB       CYS  38  -5.501   4.047   5.472
  290   2HB   CYS  38          2HB       CYS  38  -5.115   5.250   4.258
  291    H    ILE  39           H        ILE  39  -2.428   5.189   2.810
  292    HA   ILE  39           HA       ILE  39  -1.163   6.399   5.126
  293    HB   ILE  39           HB       ILE  39   0.139   4.341   4.093
  294   1HG1  ILE  39          1HG1      ILE  39   1.781   6.790   4.661
  295   2HG1  ILE  39          2HG1      ILE  39   0.733   6.150   5.912
  296   1HG2  ILE  39          1HG2      ILE  39   1.825   5.095   2.455
  297   2HG2  ILE  39          2HG2      ILE  39   0.169   5.128   1.803
  298   1HD1  ILE  39          1HD1      ILE  39   2.340   4.632   6.395
  299   2HD1  ILE  39          2HD1      ILE  39   2.039   3.882   4.809
  300    H    ASP  40           H        ASP  40   0.501   8.152   4.027
  301    HA   ASP  40           HA       ASP  40  -1.197   9.592   2.044
  302   1HB   ASP  40          1HB       ASP  40  -1.068  10.704   4.222
  303   2HB   ASP  40          2HB       ASP  40   0.707  10.641   4.171
  304    HD2  ASP  40           HD       ASP  40   0.563  13.732   2.709
  305    H    VAL  41           H        VAL  41   2.218   9.035   3.134
  306    HA   VAL  41           HA       VAL  41   2.997   9.488   0.335
  307    HB   VAL  41           HB       VAL  41   4.455  10.142   2.900
  308   1HG1  VAL  41          1HG1      VAL  41   6.412  10.377   1.800
  309   2HG1  VAL  41          2HG1      VAL  41   5.683   9.248   0.632
  310   1HG2  VAL  41          1HG2      VAL  41   3.052  11.763   0.795
  311   2HG2  VAL  41          2HG2      VAL  41   3.010  11.918   2.568
  312    H    CYS  42           H        CYS  42   4.041   7.826  -0.676
  313    HA   CYS  42           HA       CYS  42   4.152   5.342   0.648
  314   1HB   CYS  42          1HB       CYS  42   4.008   6.130  -1.949
  315   2HB   CYS  42          2HB       CYS  42   5.696   5.673  -1.850
  316    HA   PRO  43           HA       PRO  43   8.151   5.963   2.337
  317   1HB   PRO  43          1HB       PRO  43   8.454   3.521   3.526
  318   2HB   PRO  43          2HB       PRO  43   7.594   4.851   4.275
  319   1HG   PRO  43          1HG       PRO  43   6.499   2.414   3.009
  320   2HG   PRO  43          2HG       PRO  43   5.715   3.523   4.116
  321   1HD   PRO  43          1HD       PRO  43   5.327   3.371   1.278
  322   2HD   PRO  43          2HD       PRO  43   4.633   4.554   2.369
  323    H    LYS  44           H        LYS  44  10.395   5.223   2.225
  324    HA   LYS  44           HA       LYS  44  11.007   4.559  -0.403
  325   1HB   LYS  44          1HB       LYS  44  12.562   5.763   0.974
  326   2HB   LYS  44          2HB       LYS  44  12.635   4.464   2.148
  327   1HG   LYS  44          1HG       LYS  44  14.593   4.139   0.854
  328   2HG   LYS  44          2HG       LYS  44  13.474   2.965   0.191
  329   1HD   LYS  44          1HD       LYS  44  13.029   4.299  -1.745
  330   2HD   LYS  44          2HD       LYS  44  13.667   5.753  -1.003
  331   1HE   LYS  44          1HE       LYS  44  15.795   3.843  -0.954
  332   2HE   LYS  44          2HE       LYS  44  15.076   3.724  -2.547
  333   1HZ   LYS  44          1HZ       LYS  44  15.185   6.265  -2.464
  334   2HZ   LYS  44          2HZ       LYS  44  16.287   6.049  -1.278
  335    H    SER  45           H        SER  45  11.469   2.645  -1.474
  336    HA   SER  45           HA       SER  45  10.556   0.297  -0.068
  337   1HB   SER  45          1HB       SER  45  10.870   1.111  -2.937
  338   2HB   SER  45          2HB       SER  45  11.038  -0.598  -2.586
  339    HG   SER  45           HG       SER  45   8.865   0.406  -1.236
  340    H    SER  46           H        SER  46  11.892  -1.450   0.464
  341    HA   SER  46           HA       SER  46  14.703  -1.042  -0.186
  342   1HB   SER  46          1HB       SER  46  15.268  -2.153   1.861
  343   2HB   SER  46          2HB       SER  46  13.989  -1.023   2.260
  344    HG   SER  46           HG       SER  46  12.666  -3.207   1.620
  345    H    LEU  47           H        LEU  47  15.934  -3.345  -0.075
  346    HA   LEU  47           HA       LEU  47  14.802  -4.873  -2.182
  347   1HB   LEU  47          1HB       LEU  47  17.277  -5.071  -0.490
  348   2HB   LEU  47          2HB       LEU  47  16.837  -6.355  -1.599
  349    HG   LEU  47           HG       LEU  47  16.851  -3.635  -2.771
  350   1HD1  LEU  47          1HD1      LEU  47  19.065  -3.136  -2.636
  351   2HD1  LEU  47          2HD1      LEU  47  18.874  -3.956  -1.067
  352   1HD2  LEU  47          1HD2      LEU  47  17.388  -4.720  -4.702
  353   2HD2  LEU  47          2HD2      LEU  47  18.367  -5.955  -3.876
  354    H    LEU  48           H        LEU  48  15.319  -5.379   1.360
  355    HA   LEU  48           HA       LEU  48  14.413  -7.985   1.471
  356   1HB   LEU  48          1HB       LEU  48  15.588  -6.705   3.247
  357   2HB   LEU  48          2HB       LEU  48  14.106  -5.824   3.559
  358    HG   LEU  48           HG       LEU  48  13.038  -8.138   3.990
  359   1HD1  LEU  48          1HD1      LEU  48  15.941  -8.843   3.801
  360   2HD1  LEU  48          2HD1      LEU  48  14.920  -9.679   4.994
  361   1HD2  LEU  48          1HD2      LEU  48  13.215  -6.705   5.818
  362   2HD2  LEU  48          2HD2      LEU  48  14.086  -8.164   6.346
  363    H    VAL  49           H        VAL  49  12.493  -5.016   2.331
  364    HA   VAL  49           HA       VAL  49  10.129  -6.502   1.410
  365    HB   VAL  49           HB       VAL  49   8.902  -4.996   3.011
  366   1HG1  VAL  49          1HG1      VAL  49   9.929  -6.297   5.081
  367   2HG1  VAL  49          2HG1      VAL  49   9.019  -7.148   3.810
  368   1HG2  VAL  49          1HG2      VAL  49  10.829  -3.346   3.188
  369   2HG2  VAL  49          2HG2      VAL  49  10.055  -3.816   4.721
  370    H    LYS  50           H        LYS  50   8.406  -5.155   0.420
  371    HA   LYS  50           HA       LYS  50   9.369  -2.596  -0.591
  372   1HB   LYS  50          1HB       LYS  50   9.210  -5.036  -2.151
  373   2HB   LYS  50          2HB       LYS  50   8.108  -3.831  -2.785
  374   1HG   LYS  50          1HG       LYS  50   9.810  -2.356  -3.356
  375   2HG   LYS  50          2HG       LYS  50  10.835  -2.844  -2.021
  376   1HD   LYS  50          1HD       LYS  50  11.594  -4.808  -3.160
  377   2HD   LYS  50          2HD       LYS  50  10.275  -4.761  -4.312
  378   1HE   LYS  50          1HE       LYS  50  11.622  -2.258  -4.580
  379   2HE   LYS  50          2HE       LYS  50  12.885  -3.466  -4.465
  380   1HZ   LYS  50          1HZ       LYS  50  11.845  -2.982  -6.719
  381   2HZ   LYS  50          2HZ       LYS  50  12.105  -4.544  -6.318
  382    H    TYR  51           H        TYR  51   7.650  -1.161  -1.244
  383    HA   TYR  51           HA       TYR  51   4.988  -2.099  -0.423
  384   1HB   TYR  51          1HB       TYR  51   6.209   0.693  -0.020
  385   2HB   TYR  51          2HB       TYR  51   4.750   0.075   0.729
  386    HD1  TYR  51           1HD      TYR  51   7.674   1.196   1.725
  387    HD2  TYR  51           2HD      TYR  51   5.610  -2.551   1.762
  388    HE1  TYR  51           1HE      TYR  51   9.019   0.466   3.756
  389    HE2  TYR  51           2HE      TYR  51   6.962  -3.268   3.792
  390    HH   TYR  51           HH       TYR  51   8.462  -2.718   5.237
  391    H    VAL  52           H        VAL  52   3.202  -1.134  -1.531
  392    HA   VAL  52           HA       VAL  52   3.967   0.511  -3.837
  393    HB   VAL  52           HB       VAL  52   2.177  -1.924  -3.791
  394   1HG1  VAL  52          1HG1      VAL  52   1.390   0.153  -5.156
  395   2HG1  VAL  52          2HG1      VAL  52   2.718  -0.282  -6.258
  396   1HG2  VAL  52          1HG2      VAL  52   4.462  -2.580  -3.987
  397   2HG2  VAL  52          2HG2      VAL  52   3.764  -2.664  -5.622
  398    H    CYS  53           H        CYS  53   2.633   2.255  -4.215
  399    HA   CYS  53           HA       CYS  53   0.247   2.382  -2.517
  400   1HB   CYS  53          1HB       CYS  53   2.146   4.626  -3.230
  401   2HB   CYS  53          2HB       CYS  53   0.610   4.838  -2.413
  402    H    CYS  54           H        CYS  54  -1.454   3.916  -3.481
  403    HA   CYS  54           HA       CYS  54  -1.240   4.684  -6.173
  404   1HB   CYS  54          1HB       CYS  54  -3.275   3.008  -6.728
  405   2HB   CYS  54          2HB       CYS  54  -1.600   2.711  -7.152
  406    H    ASN  55           H        ASN  55  -2.929   6.167  -6.612
  407    HA   ASN  55           HA       ASN  55  -4.714   6.565  -4.363
  408   1HB   ASN  55          1HB       ASN  55  -5.094   8.834  -5.450
  409   2HB   ASN  55          2HB       ASN  55  -3.429   8.549  -4.985
  410   1HD2  ASN  55          1HD2      ASN  55  -3.982  10.449  -6.808
  411   2HD2  ASN  55          2HD2      ASN  55  -3.455   9.994  -8.394
  412    H    THR  56           H        THR  56  -5.680   4.433  -5.618
  413    HA   THR  56           HA       THR  56  -7.870   5.468  -7.261
  414    HB   THR  56           HB       THR  56  -7.518   3.606  -8.875
  415    HG1  THR  56           1HG      THR  56  -5.237   3.218  -7.066
  416   1HG2  THR  56          1HG2      THR  56  -5.779   5.833  -8.623
  417   2HG2  THR  56          2HG2      THR  56  -4.700   4.432  -8.826
  418    H    ASP  57           H        ASP  57  -9.722   4.008  -7.333
  419    HA   ASP  57           HA       ASP  57 -10.279   2.967  -4.714
  420   1HB   ASP  57          1HB       ASP  57 -11.681   3.371  -7.285
  421   2HB   ASP  57          2HB       ASP  57 -12.255   1.976  -6.346
  422    HD2  ASP  57           HD       ASP  57 -13.997   4.944  -5.192
  423    H    LYS  58           H        LYS  58 -10.182   0.906  -3.907
  424    HA   LYS  58           HA       LYS  58  -9.422  -1.173  -3.761
  425   1HB   LYS  58          1HB       LYS  58 -10.493  -2.780  -5.229
  426   2HB   LYS  58          2HB       LYS  58 -11.630  -1.529  -4.769
  427   1HG   LYS  58          1HG       LYS  58 -11.467  -0.440  -6.915
  428   2HG   LYS  58          2HG       LYS  58 -10.031  -1.344  -7.353
  429   1HD   LYS  58          1HD       LYS  58 -12.600  -2.834  -6.748
  430   2HD   LYS  58          2HD       LYS  58 -12.401  -2.063  -8.309
  431   1HE   LYS  58          1HE       LYS  58  -9.952  -3.413  -7.889
  432   2HE   LYS  58          2HE       LYS  58 -11.164  -4.524  -7.283
  433   1HZ   LYS  58          1HZ       LYS  58 -10.552  -4.358  -9.812
  434   2HZ   LYS  58          2HZ       LYS  58 -12.053  -4.766  -9.317
  435    H    CYS  59           H        CYS  59  -7.395   0.500  -4.535
  436    HA   CYS  59           HA       CYS  59  -6.169  -0.497  -6.916
  437   1HB   CYS  59          1HB       CYS  59  -4.722   1.218  -6.726
  438   2HB   CYS  59          2HB       CYS  59  -6.003   1.860  -5.717
  439    H    ASN  60           H        ASN  60  -5.683  -0.716  -3.328
  440    HA   ASN  60           HA       ASN  60  -3.609  -2.654  -3.732
  441   1HB   ASN  60          1HB       ASN  60  -3.304  -2.528  -1.313
  442   2HB   ASN  60          2HB       ASN  60  -3.539  -0.891  -1.894
  443   1HD2  ASN  60          1HD2      ASN  60  -3.946  -1.145   0.645
  444   2HD2  ASN  60          2HD2      ASN  60  -5.617  -1.170   1.097
  445   1H    HOH  61          1H        HOH  61   5.282 -11.875   2.119
  446   2H    HOH  61          2H        HOH  61   4.451 -10.668   1.740
  447   1H    HOH  62          1H        HOH  62   9.324 -13.269  -7.840
  448   2H    HOH  62          2H        HOH  62  10.341 -12.206  -8.195
  Start of MODEL   19
    1    H    LEU   1           H        LEU   1 -13.366   8.086  -1.669
    2    HA   LEU   1           HA       LEU   1 -10.983   6.691  -1.804
    3   1HB   LEU   1          1HB       LEU   1 -12.212   8.550   0.207
    4   2HB   LEU   1          2HB       LEU   1 -10.662   7.795   0.523
    5    HG   LEU   1           HG       LEU   1 -10.613   8.933  -2.117
    6   1HD1  LEU   1          1HD1      LEU   1 -11.441  11.011  -1.963
    7   2HD1  LEU   1          2HD1      LEU   1 -12.422  10.343  -0.636
    8   1HD2  LEU   1          1HD2      LEU   1  -8.827   8.454  -0.179
    9   2HD2  LEU   1          2HD2      LEU   1  -8.557   9.639  -1.479
   10    H    LYS   2           H        LYS   2 -11.948   4.440  -1.888
   11    HA   LYS   2           HA       LYS   2 -11.984   3.395   0.845
   12   1HB   LYS   2          1HB       LYS   2 -13.839   1.944   0.373
   13   2HB   LYS   2          2HB       LYS   2 -14.322   3.596   0.047
   14   1HG   LYS   2          1HG       LYS   2 -13.860   3.238  -2.396
   15   2HG   LYS   2          2HG       LYS   2 -13.407   1.579  -2.059
   16   1HD   LYS   2          1HD       LYS   2 -15.707   1.169  -1.113
   17   2HD   LYS   2          2HD       LYS   2 -16.151   2.814  -1.524
   18   1HE   LYS   2          1HE       LYS   2 -16.324   2.355  -3.780
   19   2HE   LYS   2          2HE       LYS   2 -14.962   1.253  -3.772
   20   1HZ   LYS   2          1HZ       LYS   2 -16.338  -0.408  -2.784
   21   2HZ   LYS   2          2HZ       LYS   2 -17.601   0.618  -2.647
   22    H    CYS   3           H        CYS   3 -10.838   1.484   1.120
   23    HA   CYS   3           HA       CYS   3  -9.874   0.193  -1.302
   24   1HB   CYS   3          1HB       CYS   3  -8.195   1.600   0.717
   25   2HB   CYS   3          2HB       CYS   3  -7.608   0.065   0.110
   26    H    LYS   4           H        LYS   4  -8.337  -1.800  -0.247
   27    HA   LYS   4           HA       LYS   4 -10.249  -3.183   1.448
   28   1HB   LYS   4          1HB       LYS   4  -7.947  -4.053  -0.298
   29   2HB   LYS   4          2HB       LYS   4  -8.649  -5.139   0.884
   30   1HG   LYS   4          1HG       LYS   4 -10.584  -3.679  -0.886
   31   2HG   LYS   4          2HG       LYS   4  -9.590  -4.895  -1.664
   32   1HD   LYS   4          1HD       LYS   4 -10.570  -6.651  -0.506
   33   2HD   LYS   4          2HD       LYS   4 -10.829  -5.700   0.943
   34   1HE   LYS   4          1HE       LYS   4 -12.586  -4.384  -0.541
   35   2HE   LYS   4          2HE       LYS   4 -12.515  -5.795  -1.577
   36   1HZ   LYS   4          1HZ       LYS   4 -14.197  -5.787   0.277
   37   2HZ   LYS   4          2HZ       LYS   4 -13.294  -7.139   0.120
   38    H    LYS   5           H        LYS   5  -9.778  -3.994   3.508
   39    HA   LYS   5           HA       LYS   5  -7.637  -2.592   4.835
   40   1HB   LYS   5          1HB       LYS   5  -9.920  -4.336   5.776
   41   2HB   LYS   5          2HB       LYS   5  -8.669  -3.768   6.862
   42   1HG   LYS   5          1HG       LYS   5 -10.264  -1.882   5.073
   43   2HG   LYS   5          2HG       LYS   5 -10.781  -2.304   6.694
   44   1HD   LYS   5          1HD       LYS   5  -7.936  -1.399   6.425
   45   2HD   LYS   5          2HD       LYS   5  -9.156  -0.176   6.134
   46   1HE   LYS   5          1HE       LYS   5  -9.804  -0.106   8.337
   47   2HE   LYS   5          2HE       LYS   5  -9.707  -1.846   8.528
   48   1HZ   LYS   5          1HZ       LYS   5  -7.787  -1.538   9.524
   49   2HZ   LYS   5          2HZ       LYS   5  -7.136  -0.919   8.161
   50    H    LEU   6           H        LEU   6  -6.770  -4.318   6.793
   51    HA   LEU   6           HA       LEU   6  -4.692  -5.612   5.692
   52   1HB   LEU   6          1HB       LEU   6  -6.229  -5.915   8.214
   53   2HB   LEU   6          2HB       LEU   6  -5.106  -7.199   7.812
   54    HG   LEU   6           HG       LEU   6  -3.433  -5.168   7.441
   55   1HD1  LEU   6          1HD1      LEU   6  -4.480  -3.805   9.730
   56   2HD1  LEU   6          2HD1      LEU   6  -4.112  -3.167   8.109
   57   1HD2  LEU   6          1HD2      LEU   6  -2.968  -5.352  10.011
   58   2HD2  LEU   6          2HD2      LEU   6  -4.221  -6.614   9.946
   59    H    VAL   7           H        VAL   7  -7.641  -7.424   6.807
   60    HA   VAL   7           HA       VAL   7  -6.928  -9.574   5.021
   61    HB   VAL   7           HB       VAL   7  -9.228  -9.182   6.947
   62   1HG1  VAL   7          1HG1      VAL   7  -9.543 -11.633   6.735
   63   2HG1  VAL   7          2HG1      VAL   7  -9.848 -10.769   5.209
   64   1HG2  VAL   7          1HG2      VAL   7  -7.718  -9.600   8.537
   65   2HG2  VAL   7          2HG2      VAL   7  -7.509 -11.223   7.837
   66    HA   PRO   8           HA       PRO   8  -9.465  -8.091   1.827
   67   1HB   PRO   8          1HB       PRO   8  -9.318 -10.244   0.150
   68   2HB   PRO   8          2HB       PRO   8  -8.086  -9.000   0.222
   69   1HG   PRO   8          1HG       PRO   8  -8.007 -11.749   1.305
   70   2HG   PRO   8          2HG       PRO   8  -6.675 -10.655   0.989
   71   1HD   PRO   8          1HD       PRO   8  -7.817 -11.276   3.546
   72   2HD   PRO   8          2HD       PRO   8  -6.564 -10.096   3.217
   73    H    LEU   9           H        LEU   9 -10.983  -8.568   3.926
   74    HA   LEU   9           HA       LEU   9 -13.049 -10.329   2.799
   75   1HB   LEU   9          1HB       LEU   9 -12.044  -9.942   5.584
   76   2HB   LEU   9          2HB       LEU   9 -13.741 -10.311   5.348
   77    HG   LEU   9           HG       LEU   9 -11.401 -12.000   4.422
   78   1HD1  LEU   9          1HD1      LEU   9 -11.884 -11.936   6.895
   79   2HD1  LEU   9          2HD1      LEU   9 -13.469 -12.659   6.528
   80   1HD2  LEU   9          1HD2      LEU   9 -14.136 -11.931   3.512
   81   2HD2  LEU   9          2HD2      LEU   9 -12.774 -12.929   2.949
   82    H    PHE  10           H        PHE  10 -12.205  -7.215   4.332
   83    HA   PHE  10           HA       PHE  10 -14.767  -6.202   3.369
   84   1HB   PHE  10          1HB       PHE  10 -13.511  -5.459   6.065
   85   2HB   PHE  10          2HB       PHE  10 -15.147  -5.120   5.535
   86    HD1  PHE  10           1HD      PHE  10 -12.877  -7.794   6.678
   87    HD2  PHE  10           2HD      PHE  10 -16.893  -6.709   5.840
   88    HE1  PHE  10           1HE      PHE  10 -13.679  -9.882   7.817
   89    HE2  PHE  10           2HE      PHE  10 -17.695  -8.797   6.979
   90    HZ   PHE  10           HZ       PHE  10 -16.078 -10.359   7.953
   91    H    SER  11           H        SER  11 -14.773  -3.716   3.392
   92    HA   SER  11           HA       SER  11 -12.045  -2.786   2.941
   93   1HB   SER  11          1HB       SER  11 -13.171  -1.206   1.215
   94   2HB   SER  11          2HB       SER  11 -12.938  -2.882   0.759
   95    HG   SER  11           HG       SER  11 -15.173  -3.297   1.379
   96    H    LYS  12           H        LYS  12 -11.692  -0.461   3.398
   97    HA   LYS  12           HA       LYS  12 -13.842   0.810   4.901
   98   1HB   LYS  12          1HB       LYS  12 -11.942  -0.560   6.273
   99   2HB   LYS  12          2HB       LYS  12 -11.151   0.998   6.138
  100   1HG   LYS  12          1HG       LYS  12 -13.612   1.879   6.845
  101   2HG   LYS  12          2HG       LYS  12 -13.707   0.280   7.556
  102   1HD   LYS  12          1HD       LYS  12 -11.573   0.704   8.795
  103   2HD   LYS  12          2HD       LYS  12 -11.478   2.302   8.083
  104   1HE   LYS  12          1HE       LYS  12 -13.086   3.168   9.481
  105   2HE   LYS  12          2HE       LYS  12 -14.087   1.732   9.390
  106   1HZ   LYS  12          1HZ       LYS  12 -12.137   0.744  10.769
  107   2HZ   LYS  12          2HZ       LYS  12 -11.886   2.304  11.185
  108    H    THR  13           H        THR  13 -13.687   3.127   4.950
  109    HA   THR  13           HA       THR  13 -12.184   4.140   2.685
  110    HB   THR  13           HB       THR  13 -14.416   5.126   4.504
  111    HG1  THR  13           1HG      THR  13 -13.991   5.000   1.608
  112   1HG2  THR  13          1HG2      THR  13 -13.952   6.919   2.297
  113   2HG2  THR  13          2HG2      THR  13 -13.934   7.308   4.034
  114    H    CYS  14           H        CYS  14 -10.527   5.624   2.721
  115    HA   CYS  14           HA       CYS  14  -9.078   5.681   5.191
  116   1HB   CYS  14          1HB       CYS  14  -8.303   7.167   2.695
  117   2HB   CYS  14          2HB       CYS  14  -7.274   6.532   3.963
  118    HA   PRO  15           HA       PRO  15 -10.640   9.591   6.348
  119   1HB   PRO  15          1HB       PRO  15  -8.850  10.248   8.306
  120   2HB   PRO  15          2HB       PRO  15 -10.213   9.181   8.573
  121   1HG   PRO  15          1HG       PRO  15  -7.351   8.496   8.289
  122   2HG   PRO  15          2HG       PRO  15  -8.649   7.532   8.966
  123   1HD   PRO  15          1HD       PRO  15  -7.448   7.219   6.380
  124   2HD   PRO  15          2HD       PRO  15  -8.821   6.332   7.013
  125    H    ALA  16           H        ALA  16 -10.197  11.937   6.492
  126    HA   ALA  16           HA       ALA  16  -9.015  12.830   4.224
  127   1HB   ALA  16          1HB       ALA  16  -8.664  14.980   5.745
  128   2HB   ALA  16          2HB       ALA  16 -10.299  14.407   5.337
  129    H    GLY  17           H        GLY  17  -6.958  13.834   3.714
  130   1HA   GLY  17          1HA       GLY  17  -4.728  14.305   4.102
  131   2HA   GLY  17          2HA       GLY  17  -4.767  13.375   5.587
  132    H    LYS  18           H        LYS  18  -5.802  10.903   4.804
  133    HA   LYS  18           HA       LYS  18  -3.610   9.949   3.140
  134   1HB   LYS  18          1HB       LYS  18  -5.523   8.167   4.621
  135   2HB   LYS  18          2HB       LYS  18  -3.844   7.892   4.200
  136   1HG   LYS  18          1HG       LYS  18  -4.764  10.016   6.193
  137   2HG   LYS  18          2HG       LYS  18  -4.244   8.408   6.658
  138   1HD   LYS  18          1HD       LYS  18  -2.153   9.212   5.019
  139   2HD   LYS  18          2HD       LYS  18  -2.622  10.731   5.754
  140   1HE   LYS  18          1HE       LYS  18  -2.639   8.784   7.856
  141   2HE   LYS  18          2HE       LYS  18  -1.169   8.510   6.943
  142   1HZ   LYS  18          1HZ       LYS  18  -0.600  10.142   8.429
  143   2HZ   LYS  18          2HZ       LYS  18  -0.928  11.027   7.096
  144    H    ASN  19           H        ASN  19  -4.228  10.416   1.025
  145    HA   ASN  19           HA       ASN  19  -6.804   9.305   0.248
  146   1HB   ASN  19          1HB       ASN  19  -5.129  11.616  -0.718
  147   2HB   ASN  19          2HB       ASN  19  -6.036  10.750  -1.941
  148   1HD2  ASN  19          1HD2      ASN  19  -7.744  11.906  -2.419
  149   2HD2  ASN  19          2HD2      ASN  19  -8.879  12.602  -1.311
  150    H    LEU  20           H        LEU  20  -3.880   8.130   0.622
  151    HA   LEU  20           HA       LEU  20  -3.810   6.835  -2.008
  152   1HB   LEU  20          1HB       LEU  20  -1.428   7.785  -0.410
  153   2HB   LEU  20          2HB       LEU  20  -1.353   6.802  -1.859
  154    HG   LEU  20           HG       LEU  20  -2.833   8.931  -2.744
  155   1HD1  LEU  20          1HD1      LEU  20  -1.349  10.913  -1.941
  156   2HD1  LEU  20          2HD1      LEU  20  -2.715  10.369  -0.938
  157   1HD2  LEU  20          1HD2      LEU  20  -1.188   9.026  -4.243
  158   2HD2  LEU  20          2HD2      LEU  20   0.028   9.434  -3.009
  159    H    CYS  21           H        CYS  21  -3.801   4.631  -1.929
  160    HA   CYS  21           HA       CYS  21  -3.835   3.480   0.730
  161   1HB   CYS  21          1HB       CYS  21  -4.469   2.206  -1.940
  162   2HB   CYS  21          2HB       CYS  21  -4.710   1.482  -0.362
  163    H    TYR  22           H        TYR  22  -2.289   1.935   1.428
  164    HA   TYR  22           HA       TYR  22  -0.042   1.517  -0.427
  165   1HB   TYR  22          1HB       TYR  22   1.390   1.956   1.450
  166   2HB   TYR  22          2HB       TYR  22   0.084   3.090   1.731
  167    HD1  TYR  22           1HD      TYR  22  -1.016   3.098   3.793
  168    HD2  TYR  22           2HD      TYR  22   1.142  -0.398   2.599
  169    HE1  TYR  22           1HE      TYR  22  -1.415   2.062   6.080
  170    HE2  TYR  22           2HE      TYR  22   0.736  -1.423   4.890
  171    HH   TYR  22           HH       TYR  22   0.109  -0.981   6.971
  172    H    LYS  23           H        LYS  23   1.016  -0.535  -0.345
  173    HA   LYS  23           HA       LYS  23  -0.302  -2.542   1.320
  174   1HB   LYS  23          1HB       LYS  23  -1.488  -2.854  -0.681
  175   2HB   LYS  23          2HB       LYS  23  -0.083  -2.555  -1.684
  176   1HG   LYS  23          1HG       LYS  23   0.963  -4.669  -0.644
  177   2HG   LYS  23          2HG       LYS  23  -0.604  -4.996   0.068
  178   1HD   LYS  23          1HD       LYS  23  -1.388  -5.838  -1.888
  179   2HD   LYS  23          2HD       LYS  23  -0.962  -4.371  -2.747
  180   1HE   LYS  23          1HE       LYS  23   1.533  -5.487  -2.421
  181   2HE   LYS  23          2HE       LYS  23   0.553  -6.937  -2.508
  182   1HZ   LYS  23          1HZ       LYS  23   0.922  -6.512  -4.686
  183   2HZ   LYS  23          2HZ       LYS  23  -0.477  -5.687  -4.512
  184    H    MET  24           H        MET  24   1.188  -3.647   2.467
  185    HA   MET  24           HA       MET  24   3.919  -3.501   1.471
  186   1HB   MET  24          1HB       MET  24   2.749  -4.056   4.254
  187   2HB   MET  24          2HB       MET  24   4.465  -4.116   3.905
  188   1HG   MET  24          1HG       MET  24   4.614  -1.782   3.531
  189   2HG   MET  24          2HG       MET  24   2.908  -1.627   3.158
  190   1HE   MET  24          1HE       MET  24   4.120   0.503   5.361
  191   2HE   MET  24          2HE       MET  24   4.687  -0.320   6.834
  192    H    PHE  25           H        PHE  25   4.874  -5.325   0.670
  193    HA   PHE  25           HA       PHE  25   3.952  -7.894   1.688
  194   1HB   PHE  25          1HB       PHE  25   3.570  -8.696  -0.584
  195   2HB   PHE  25          2HB       PHE  25   2.746  -7.152  -0.491
  196    HD1  PHE  25           1HD      PHE  25   5.695  -8.896  -1.822
  197    HD2  PHE  25           2HD      PHE  25   3.496  -5.267  -1.776
  198    HE1  PHE  25           1HE      PHE  25   7.000  -8.080  -3.805
  199    HE2  PHE  25           2HE      PHE  25   4.801  -4.451  -3.759
  200    HZ   PHE  25           HZ       PHE  25   6.538  -5.867  -4.749
  201    H    MET  26           H        MET  26   5.538  -9.555   1.595
  202    HA   MET  26           HA       MET  26   8.190  -8.519   1.402
  203   1HB   MET  26          1HB       MET  26   7.083 -11.316   2.015
  204   2HB   MET  26          2HB       MET  26   8.772 -10.879   2.175
  205   1HG   MET  26          1HG       MET  26   8.231  -9.203   3.900
  206   2HG   MET  26          2HG       MET  26   6.513  -9.456   3.664
  207   1HE   MET  26          1HE       MET  26   9.845 -10.989   4.405
  208   2HE   MET  26          2HE       MET  26   9.396 -10.515   6.060
  209    H    VAL  27           H        VAL  27   9.921  -9.520   0.093
  210    HA   VAL  27           HA       VAL  27   9.169  -9.826  -2.574
  211    HB   VAL  27           HB       VAL  27  11.652 -10.196  -0.955
  212   1HG1  VAL  27          1HG1      VAL  27  12.875 -10.747  -3.104
  213   2HG1  VAL  27          2HG1      VAL  27  11.885 -12.060  -2.424
  214   1HG2  VAL  27          1HG2      VAL  27  10.695  -8.380  -3.163
  215   2HG2  VAL  27          2HG2      VAL  27  11.317  -7.964  -1.548
  216    H    ALA  28           H        ALA  28   8.929 -11.989   0.082
  217    HA   ALA  28           HA       ALA  28   9.579 -14.434  -0.727
  218   1HB   ALA  28          1HB       ALA  28   6.769 -13.964   0.267
  219   2HB   ALA  28          2HB       ALA  28   7.940 -15.217   0.743
  220    H    ALA  29           H        ALA  29   6.950 -12.410  -2.083
  221    HA   ALA  29           HA       ALA  29   6.909 -14.160  -4.393
  222   1HB   ALA  29          1HB       ALA  29   4.177 -13.562  -3.744
  223   2HB   ALA  29          2HB       ALA  29   4.958 -15.154  -3.904
  224    HA   PRO  30           HA       PRO  30   6.368 -10.316  -6.299
  225   1HB   PRO  30          1HB       PRO  30   5.312 -11.028  -8.717
  226   2HB   PRO  30          2HB       PRO  30   7.020 -11.148  -8.345
  227   1HG   PRO  30          1HG       PRO  30   5.009 -13.306  -8.533
  228   2HG   PRO  30          2HG       PRO  30   6.756 -13.427  -8.586
  229   1HD   PRO  30          1HD       PRO  30   5.059 -14.070  -6.366
  230   2HD   PRO  30          2HD       PRO  30   6.811 -14.080  -6.383
  231    H    HIS  31           H        HIS  31   3.677 -12.295  -5.671
  232    HA   HIS  31           HA       HIS  31   2.083  -9.888  -5.479
  233   1HB   HIS  31          1HB       HIS  31   1.856 -11.079  -7.810
  234   2HB   HIS  31          2HB       HIS  31   0.874 -12.229  -6.923
  235    HD1  HIS  31           1HD      HIS  31   0.989  -8.387  -6.780
  236    HD2  HIS  31           2HD      HIS  31  -1.716 -11.534  -7.395
  237    HE1  HIS  31           1HE      HIS  31  -1.308  -7.311  -7.056
  238    H    VAL  32           H        VAL  32   2.762 -10.597  -3.205
  239    HA   VAL  32           HA       VAL  32   0.591 -12.165  -2.132
  240    HB   VAL  32           HB       VAL  32   3.481 -13.008  -1.958
  241   1HG1  VAL  32          1HG1      VAL  32   1.575 -13.037   0.164
  242   2HG1  VAL  32          2HG1      VAL  32   1.806 -14.714  -0.387
  243   1HG2  VAL  32          1HG2      VAL  32   2.562 -15.207  -2.621
  244   2HG2  VAL  32          2HG2      VAL  32   0.938 -14.484  -2.722
  245    HA   PRO  33           HA       PRO  33   1.658  -8.627   0.376
  246   1HB   PRO  33          1HB       PRO  33  -0.903  -7.839   0.913
  247   2HB   PRO  33          2HB       PRO  33   0.022  -7.230  -0.445
  248   1HG   PRO  33          1HG       PRO  33  -2.188  -9.194  -0.439
  249   2HG   PRO  33          2HG       PRO  33  -1.548  -8.265  -1.781
  250   1HD   PRO  33          1HD       PRO  33  -1.067 -11.038  -1.228
  251   2HD   PRO  33          2HD       PRO  33  -0.336 -10.081  -2.501
  252    H    VAL  34           H        VAL  34   1.627  -8.176   2.630
  253    HA   VAL  34           HA       VAL  34   0.670 -10.548   4.075
  254    HB   VAL  34           HB       VAL  34   3.150 -10.027   3.956
  255   1HG1  VAL  34          1HG1      VAL  34   4.015  -8.300   5.462
  256   2HG1  VAL  34          2HG1      VAL  34   2.983  -7.582   4.201
  257   1HG2  VAL  34          1HG2      VAL  34   2.916 -10.019   6.783
  258   2HG2  VAL  34          2HG2      VAL  34   1.494 -10.880   6.148
  259    H    LYS  35           H        LYS  35   1.022  -6.948   4.174
  260    HA   LYS  35           HA       LYS  35  -1.472  -6.859   5.661
  261   1HB   LYS  35          1HB       LYS  35   1.151  -5.761   6.695
  262   2HB   LYS  35          2HB       LYS  35  -0.403  -5.171   7.249
  263   1HG   LYS  35          1HG       LYS  35  -1.037  -7.353   8.097
  264   2HG   LYS  35          2HG       LYS  35   0.304  -8.136   7.284
  265   1HD   LYS  35          1HD       LYS  35   0.977  -7.933   9.577
  266   2HD   LYS  35          2HD       LYS  35   1.881  -6.704   8.714
  267   1HE   LYS  35          1HE       LYS  35  -0.740  -5.705   9.630
  268   2HE   LYS  35          2HE       LYS  35   0.240  -6.288  10.961
  269   1HZ   LYS  35          1HZ       LYS  35   0.626  -4.004   9.319
  270   2HZ   LYS  35          2HZ       LYS  35   1.228  -4.330  10.802
  271    H    ARG  36           H        ARG  36  -2.421  -4.672   5.612
  272    HA   ARG  36           HA       ARG  36  -1.235  -2.844   3.620
  273   1HB   ARG  36          1HB       ARG  36  -3.922  -4.233   3.368
  274   2HB   ARG  36          2HB       ARG  36  -3.538  -2.719   2.514
  275   1HG   ARG  36          1HG       ARG  36  -2.516  -3.935   0.914
  276   2HG   ARG  36          2HG       ARG  36  -1.315  -4.448   2.123
  277   1HD   ARG  36          1HD       ARG  36  -2.163  -6.504   1.432
  278   2HD   ARG  36          2HD       ARG  36  -3.196  -6.157   2.835
  279    HE   ARG  36           HE       ARG  36  -4.598  -5.046   0.766
  280   1HH1  ARG  36          1HH1      ARG  36  -6.010  -7.926  -0.702
  281   2HH1  ARG  36          2HH1      ARG  36  -6.141  -6.191  -0.518
  282   1HH2  ARG  36          1HH2      ARG  36  -4.288  -9.077   0.344
  283   2HH2  ARG  36          2HH2      ARG  36  -3.120  -8.210   1.316
  284    H    GLY  37           H        GLY  37  -2.719  -0.793   3.451
  285   1HA   GLY  37          1HA       GLY  37  -4.530  -0.151   5.472
  286   2HA   GLY  37          2HA       GLY  37  -2.935   0.285   6.052
  287    H    CYS  38           H        CYS  38  -4.413   2.438   5.847
  288    HA   CYS  38           HA       CYS  38  -4.036   3.516   3.160
  289   1HB   CYS  38          1HB       CYS  38  -5.817   4.335   5.452
  290   2HB   CYS  38          2HB       CYS  38  -5.507   5.391   4.089
  291    H    ILE  39           H        ILE  39  -3.020   5.674   2.970
  292    HA   ILE  39           HA       ILE  39  -1.881   6.946   5.209
  293    HB   ILE  39           HB       ILE  39  -0.498   4.751   4.805
  294   1HG1  ILE  39          1HG1      ILE  39   1.570   6.589   5.218
  295   2HG1  ILE  39          2HG1      ILE  39   0.137   7.419   5.789
  296   1HG2  ILE  39          1HG2      ILE  39   1.495   5.244   3.360
  297   2HG2  ILE  39          2HG2      ILE  39  -0.028   4.977   2.479
  298   1HD1  ILE  39          1HD1      ILE  39   0.998   4.609   6.620
  299   2HD1  ILE  39          2HD1      ILE  39   1.160   6.083   7.604
  300    H    ASP  40           H        ASP  40   0.070   8.445   4.140
  301    HA   ASP  40           HA       ASP  40  -1.166   9.554   1.662
  302   1HB   ASP  40          1HB       ASP  40   0.024  11.708   2.639
  303   2HB   ASP  40          2HB       ASP  40  -1.584  11.215   3.214
  304    HD2  ASP  40           HD       ASP  40  -0.051  11.506   6.307
  305    H    VAL  41           H        VAL  41   1.864   9.004   3.543
  306    HA   VAL  41           HA       VAL  41   3.328   9.390   1.026
  307    HB   VAL  41           HB       VAL  41   5.252   9.907   2.385
  308   1HG1  VAL  41          1HG1      VAL  41   2.712  11.431   2.944
  309   2HG1  VAL  41          2HG1      VAL  41   4.260  11.950   3.653
  310   1HG2  VAL  41          1HG2      VAL  41   3.442   9.195   4.699
  311   2HG2  VAL  41          2HG2      VAL  41   5.056   8.558   4.306
  312    H    CYS  42           H        CYS  42   4.674   7.749   0.268
  313    HA   CYS  42           HA       CYS  42   4.260   5.198   1.609
  314   1HB   CYS  42          1HB       CYS  42   4.096   5.947  -1.055
  315   2HB   CYS  42          2HB       CYS  42   5.647   5.137  -0.961
  316    HA   PRO  43           HA       PRO  43   8.423   5.361   2.919
  317   1HB   PRO  43          1HB       PRO  43   8.744   2.774   3.740
  318   2HB   PRO  43          2HB       PRO  43   7.981   4.005   4.726
  319   1HG   PRO  43          1HG       PRO  43   6.725   1.784   3.234
  320   2HG   PRO  43          2HG       PRO  43   6.058   2.745   4.538
  321   1HD   PRO  43          1HD       PRO  43   5.455   2.989   1.745
  322   2HD   PRO  43          2HD       PRO  43   4.878   4.024   3.036
  323    H    LYS  44           H        LYS  44  10.629   4.620   2.524
  324    HA   LYS  44           HA       LYS  44  11.000   4.278  -0.216
  325   1HB   LYS  44          1HB       LYS  44  12.607   5.287   1.427
  326   2HB   LYS  44          2HB       LYS  44  12.965   3.675   2.013
  327   1HG   LYS  44          1HG       LYS  44  14.470   3.425   0.339
  328   2HG   LYS  44          2HG       LYS  44  13.164   3.515  -0.826
  329   1HD   LYS  44          1HD       LYS  44  13.793   6.192   0.139
  330   2HD   LYS  44          2HD       LYS  44  15.261   5.409  -0.413
  331   1HE   LYS  44          1HE       LYS  44  12.706   5.414  -2.078
  332   2HE   LYS  44          2HE       LYS  44  13.891   6.700  -2.189
  333   1HZ   LYS  44          1HZ       LYS  44  15.148   4.193  -2.337
  334   2HZ   LYS  44          2HZ       LYS  44  13.970   4.290  -3.464
  335    H    SER  45           H        SER  45  11.665   2.467  -1.476
  336    HA   SER  45           HA       SER  45  10.629   0.007  -0.383
  337   1HB   SER  45          1HB       SER  45  11.100   1.134  -3.107
  338   2HB   SER  45          2HB       SER  45  11.338  -0.596  -2.964
  339    HG   SER  45           HG       SER  45   8.985   0.850  -2.989
  340    H    SER  46           H        SER  46  11.927  -1.713   0.225
  341    HA   SER  46           HA       SER  46  14.770  -1.348  -0.278
  342   1HB   SER  46          1HB       SER  46  15.208  -2.535   1.740
  343   2HB   SER  46          2HB       SER  46  13.876  -1.463   2.124
  344    HG   SER  46           HG       SER  46  12.400  -3.230   1.887
  345    H    LEU  47           H        LEU  47  15.903  -3.752  -0.113
  346    HA   LEU  47           HA       LEU  47  14.879  -5.121  -2.400
  347   1HB   LEU  47          1HB       LEU  47  17.185  -5.788  -0.564
  348   2HB   LEU  47          2HB       LEU  47  16.849  -6.542  -2.111
  349    HG   LEU  47           HG       LEU  47  17.214  -3.570  -2.026
  350   1HD1  LEU  47          1HD1      LEU  47  19.749  -4.316  -2.532
  351   2HD1  LEU  47          2HD1      LEU  47  19.162  -3.852  -0.917
  352   1HD2  LEU  47          1HD2      LEU  47  16.535  -4.841  -4.091
  353   2HD2  LEU  47          2HD2      LEU  47  17.999  -3.842  -4.254
  354    H    LEU  48           H        LEU  48  15.522  -6.098   1.045
  355    HA   LEU  48           HA       LEU  48  14.416  -8.578   0.952
  356   1HB   LEU  48          1HB       LEU  48  15.610  -7.256   2.831
  357   2HB   LEU  48          2HB       LEU  48  13.998  -6.756   3.302
  358    HG   LEU  48           HG       LEU  48  13.474  -9.324   3.286
  359   1HD1  LEU  48          1HD1      LEU  48  16.482  -9.368   3.662
  360   2HD1  LEU  48          2HD1      LEU  48  15.367 -10.742   3.862
  361   1HD2  LEU  48          1HD2      LEU  48  14.992  -7.796   5.397
  362   2HD2  LEU  48          2HD2      LEU  48  13.250  -8.150   5.299
  363    H    VAL  49           H        VAL  49  12.647  -5.562   1.962
  364    HA   VAL  49           HA       VAL  49  10.214  -6.875   0.963
  365    HB   VAL  49           HB       VAL  49  10.484  -4.944   3.274
  366   1HG1  VAL  49          1HG1      VAL  49   8.066  -6.202   3.550
  367   2HG1  VAL  49          2HG1      VAL  49   8.305  -4.602   2.807
  368   1HG2  VAL  49          1HG2      VAL  49  11.503  -7.104   3.822
  369   2HG2  VAL  49          2HG2      VAL  49   9.984  -6.872   4.720
  370    H    LYS  50           H        LYS  50   8.635  -5.468  -0.054
  371    HA   LYS  50           HA       LYS  50   9.680  -2.829  -0.756
  372   1HB   LYS  50          1HB       LYS  50   9.713  -5.041  -2.501
  373   2HB   LYS  50          2HB       LYS  50   8.354  -4.063  -3.017
  374   1HG   LYS  50          1HG       LYS  50   9.824  -2.043  -3.086
  375   2HG   LYS  50          2HG       LYS  50  11.184  -3.008  -2.548
  376   1HD   LYS  50          1HD       LYS  50   9.694  -3.977  -4.977
  377   2HD   LYS  50          2HD       LYS  50  10.682  -2.543  -5.168
  378   1HE   LYS  50          1HE       LYS  50  12.522  -3.857  -5.326
  379   2HE   LYS  50          2HE       LYS  50  12.274  -4.378  -3.671
  380   1HZ   LYS  50          1HZ       LYS  50  12.227  -6.055  -5.631
  381   2HZ   LYS  50          2HZ       LYS  50  11.237  -6.255  -4.347
  382    H    TYR  51           H        TYR  51   7.950  -1.363  -1.586
  383    HA   TYR  51           HA       TYR  51   5.289  -2.229  -0.693
  384   1HB   TYR  51          1HB       TYR  51   6.504   0.568  -0.358
  385   2HB   TYR  51          2HB       TYR  51   5.106  -0.081   0.476
  386    HD1  TYR  51           1HD      TYR  51   5.799  -2.448   1.781
  387    HD2  TYR  51           2HD      TYR  51   8.342   0.903   1.002
  388    HE1  TYR  51           1HE      TYR  51   7.280  -3.108   3.739
  389    HE2  TYR  51           2HE      TYR  51   9.815   0.232   2.962
  390    HH   TYR  51           HH       TYR  51   9.838  -1.009   4.851
  391    H    VAL  52           H        VAL  52   3.507  -0.887  -1.617
  392    HA   VAL  52           HA       VAL  52   4.281   0.591  -4.006
  393    HB   VAL  52           HB       VAL  52   2.512  -1.851  -3.928
  394   1HG1  VAL  52          1HG1      VAL  52   1.341  -0.031  -5.127
  395   2HG1  VAL  52          2HG1      VAL  52   2.755   0.161  -6.190
  396   1HG2  VAL  52          1HG2      VAL  52   3.982  -2.765  -5.544
  397   2HG2  VAL  52          2HG2      VAL  52   4.756  -1.191  -5.849
  398    H    CYS  53           H        CYS  53   2.949   2.345  -4.400
  399    HA   CYS  53           HA       CYS  53   0.607   2.530  -2.648
  400   1HB   CYS  53          1HB       CYS  53   2.842   4.431  -3.088
  401   2HB   CYS  53          2HB       CYS  53   1.234   5.126  -3.029
  402    H    CYS  54           H        CYS  54  -1.180   3.852  -3.590
  403    HA   CYS  54           HA       CYS  54  -0.995   4.740  -6.264
  404   1HB   CYS  54          1HB       CYS  54  -2.945   3.022  -6.889
  405   2HB   CYS  54          2HB       CYS  54  -1.253   2.745  -7.253
  406    H    ASN  55           H        ASN  55  -2.864   6.037  -6.761
  407    HA   ASN  55           HA       ASN  55  -4.574   6.405  -4.445
  408   1HB   ASN  55          1HB       ASN  55  -5.155   8.606  -5.661
  409   2HB   ASN  55          2HB       ASN  55  -3.504   8.471  -5.089
  410   1HD2  ASN  55          1HD2      ASN  55  -5.440   9.234  -7.654
  411   2HD2  ASN  55          2HD2      ASN  55  -4.315   9.117  -8.966
  412    H    THR  56           H        THR  56  -5.588   4.252  -5.448
  413    HA   THR  56           HA       THR  56  -7.801   5.099  -7.159
  414    HB   THR  56           HB       THR  56  -7.395   2.870  -8.441
  415    HG1  THR  56           1HG      THR  56  -4.870   3.428  -7.049
  416   1HG2  THR  56          1HG2      THR  56  -5.681   5.350  -8.611
  417   2HG2  THR  56          2HG2      THR  56  -5.165   3.924  -9.542
  418    H    ASP  57           H        ASP  57  -9.661   3.720  -7.009
  419    HA   ASP  57           HA       ASP  57 -10.148   2.856  -4.332
  420   1HB   ASP  57          1HB       ASP  57 -11.592   3.004  -6.908
  421   2HB   ASP  57          2HB       ASP  57 -12.129   1.692  -5.838
  422    HD2  ASP  57           HD       ASP  57 -13.703   4.969  -5.036
  423    H    LYS  58           H        LYS  58  -9.649   0.980  -3.332
  424    HA   LYS  58           HA       LYS  58  -8.923  -1.083  -3.023
  425   1HB   LYS  58          1HB       LYS  58 -11.098  -1.256  -4.920
  426   2HB   LYS  58          2HB       LYS  58  -9.952  -2.549  -5.209
  427   1HG   LYS  58          1HG       LYS  58  -9.999  -2.897  -2.609
  428   2HG   LYS  58          2HG       LYS  58 -11.447  -1.911  -2.640
  429   1HD   LYS  58          1HD       LYS  58 -11.171  -4.295  -4.504
  430   2HD   LYS  58          2HD       LYS  58 -11.682  -4.523  -2.843
  431   1HE   LYS  58          1HE       LYS  58 -13.792  -3.907  -3.396
  432   2HE   LYS  58          2HE       LYS  58 -13.213  -2.327  -3.884
  433   1HZ   LYS  58          1HZ       LYS  58 -14.275  -3.441  -5.697
  434   2HZ   LYS  58          2HZ       LYS  58 -12.689  -3.267  -6.044
  435    H    CYS  59           H        CYS  59  -6.938   0.451  -3.949
  436    HA   CYS  59           HA       CYS  59  -5.818  -0.832  -6.291
  437   1HB   CYS  59          1HB       CYS  59  -4.559   1.003  -6.576
  438   2HB   CYS  59          2HB       CYS  59  -5.800   1.738  -5.581
  439    H    ASN  60           H        ASN  60  -5.191  -0.286  -2.765
  440    HA   ASN  60           HA       ASN  60  -2.869  -1.912  -2.828
  441   1HB   ASN  60          1HB       ASN  60  -2.697  -1.411  -0.484
  442   2HB   ASN  60          2HB       ASN  60  -3.396   0.032  -1.190
  443   1HD2  ASN  60          1HD2      ASN  60  -3.573  -0.809   1.518
  444   2HD2  ASN  60          2HD2      ASN  60  -5.239  -1.066   1.916
  445   1H    HOH  61          1H        HOH  61   5.616 -11.017   2.243
  446   2H    HOH  61          2H        HOH  61   4.134 -10.880   1.968
  447   1H    HOH  62          1H        HOH  62   7.026 -16.577  -5.693
  448   2H    HOH  62          2H        HOH  62   8.179 -16.445  -6.665
  Start of MODEL   20
    1    H    LEU   1           H        LEU   1 -13.100   7.233  -1.632
    2    HA   LEU   1           HA       LEU   1 -10.367   6.435  -2.199
    3   1HB   LEU   1          1HB       LEU   1 -11.066   8.620  -0.443
    4   2HB   LEU   1          2HB       LEU   1 -10.301   7.327   0.460
    5    HG   LEU   1           HG       LEU   1  -8.656   8.953  -0.260
    6   1HD1  LEU   1          1HD1      LEU   1  -8.279   6.351  -0.303
    7   2HD1  LEU   1          2HD1      LEU   1  -8.083   6.624  -2.051
    8   1HD2  LEU   1          1HD2      LEU   1  -9.989   9.672  -2.299
    9   2HD2  LEU   1          2HD2      LEU   1  -8.223   9.564  -2.497
   10    H    LYS   2           H        LYS   2 -11.819   4.463  -2.471
   11    HA   LYS   2           HA       LYS   2 -12.306   3.291   0.180
   12   1HB   LYS   2          1HB       LYS   2 -14.227   3.800  -1.670
   13   2HB   LYS   2          2HB       LYS   2 -13.750   2.189  -2.166
   14   1HG   LYS   2          1HG       LYS   2 -14.057   1.384   0.194
   15   2HG   LYS   2          2HG       LYS   2 -14.566   2.993   0.667
   16   1HD   LYS   2          1HD       LYS   2 -16.681   2.330   0.154
   17   2HD   LYS   2          2HD       LYS   2 -16.209   2.479  -1.527
   18   1HE   LYS   2          1HE       LYS   2 -16.262   0.223  -1.841
   19   2HE   LYS   2          2HE       LYS   2 -15.286  -0.074  -0.416
   20   1HZ   LYS   2          1HZ       LYS   2 -18.173   0.092  -0.639
   21   2HZ   LYS   2          2HZ       LYS   2 -17.256  -0.974   0.192
   22    H    CYS   3           H        CYS   3 -10.695   1.906   0.674
   23    HA   CYS   3           HA       CYS   3  -9.756   0.195  -1.508
   24   1HB   CYS   3          1HB       CYS   3  -8.152   1.746   0.499
   25   2HB   CYS   3          2HB       CYS   3  -7.538   0.227  -0.123
   26    H    LYS   4           H        LYS   4  -8.285  -1.652  -0.159
   27    HA   LYS   4           HA       LYS   4 -10.267  -2.806   1.630
   28   1HB   LYS   4          1HB       LYS   4  -7.911  -3.929   0.105
   29   2HB   LYS   4          2HB       LYS   4  -8.748  -4.851   1.337
   30   1HG   LYS   4          1HG       LYS   4 -10.704  -3.618  -0.430
   31   2HG   LYS   4          2HG       LYS   4  -9.519  -4.478  -1.393
   32   1HD   LYS   4          1HD       LYS   4  -9.863  -6.515   0.056
   33   2HD   LYS   4          2HD       LYS   4 -11.100  -5.649   0.945
   34   1HE   LYS   4          1HE       LYS   4 -11.907  -5.277  -1.701
   35   2HE   LYS   4          2HE       LYS   4 -11.236  -6.895  -1.743
   36   1HZ   LYS   4          1HZ       LYS   4 -12.829  -6.496   0.554
   37   2HZ   LYS   4          2HZ       LYS   4 -13.680  -6.197  -0.807
   38    H    LYS   5           H        LYS   5  -9.666  -3.697   3.719
   39    HA   LYS   5           HA       LYS   5  -7.700  -2.008   5.002
   40   1HB   LYS   5          1HB       LYS   5  -9.964  -3.753   5.891
   41   2HB   LYS   5          2HB       LYS   5  -8.672  -3.428   7.029
   42   1HG   LYS   5          1HG       LYS   5  -8.976  -0.914   6.350
   43   2HG   LYS   5          2HG       LYS   5 -10.497  -1.426   5.647
   44   1HD   LYS   5          1HD       LYS   5 -11.424  -1.223   7.708
   45   2HD   LYS   5          2HD       LYS   5 -10.503  -2.634   8.192
   46   1HE   LYS   5          1HE       LYS   5  -8.724  -0.356   8.244
   47   2HE   LYS   5          2HE       LYS   5 -10.193   0.090   9.089
   48   1HZ   LYS   5          1HZ       LYS   5  -9.959  -2.012  10.332
   49   2HZ   LYS   5          2HZ       LYS   5  -8.500  -2.243   9.637
   50    H    LEU   6           H        LEU   6  -6.733  -3.604   7.052
   51    HA   LEU   6           HA       LEU   6  -4.532  -4.756   5.974
   52   1HB   LEU   6          1HB       LEU   6  -5.998  -5.062   8.551
   53   2HB   LEU   6          2HB       LEU   6  -4.705  -6.191   8.200
   54    HG   LEU   6           HG       LEU   6  -3.416  -3.888   7.646
   55   1HD1  LEU   6          1HD1      LEU   6  -5.235  -3.103   9.931
   56   2HD1  LEU   6          2HD1      LEU   6  -3.998  -2.115   9.117
   57   1HD2  LEU   6          1HD2      LEU   6  -3.111  -4.133  10.420
   58   2HD2  LEU   6          2HD2      LEU   6  -3.541  -5.761   9.846
   59    H    VAL   7           H        VAL   7  -7.359  -6.671   7.232
   60    HA   VAL   7           HA       VAL   7  -6.482  -8.907   5.628
   61    HB   VAL   7           HB       VAL   7  -8.795  -8.530   7.539
   62   1HG1  VAL   7          1HG1      VAL   7  -7.725 -11.064   6.250
   63   2HG1  VAL   7          2HG1      VAL   7  -8.983 -10.986   7.507
   64   1HG2  VAL   7          1HG2      VAL   7  -6.528  -8.364   8.560
   65   2HG2  VAL   7          2HG2      VAL   7  -7.463  -9.763   9.141
   66    HA   PRO   8           HA       PRO   8  -9.129  -7.880   2.348
   67   1HB   PRO   8          1HB       PRO   8  -8.866 -10.162   0.867
   68   2HB   PRO   8          2HB       PRO   8  -7.709  -8.847   0.814
   69   1HG   PRO   8          1HG       PRO   8  -7.463 -11.479   2.136
   70   2HG   PRO   8          2HG       PRO   8  -6.199 -10.343   1.709
   71   1HD   PRO   8          1HD       PRO   8  -7.287 -10.798   4.324
   72   2HD   PRO   8          2HD       PRO   8  -6.107  -9.582   3.877
   73    H    LEU   9           H        LEU   9 -10.608  -8.247   4.492
   74    HA   LEU   9           HA       LEU   9 -12.569 -10.226   3.555
   75   1HB   LEU   9          1HB       LEU   9 -11.647  -9.468   6.305
   76   2HB   LEU   9          2HB       LEU   9 -13.272 -10.079   6.063
   77    HG   LEU   9           HG       LEU   9 -10.805 -11.570   5.141
   78   1HD1  LEU   9          1HD1      LEU   9 -11.279 -11.026   7.760
   79   2HD1  LEU   9          2HD1      LEU   9 -12.197 -12.537   7.557
   80   1HD2  LEU   9          1HD2      LEU   9 -13.601 -12.594   5.691
   81   2HD2  LEU   9          2HD2      LEU   9 -13.003 -12.124   4.082
   82    H    PHE  10           H        PHE  10 -11.912  -6.937   4.787
   83    HA   PHE  10           HA       PHE  10 -14.536  -6.176   3.757
   84   1HB   PHE  10          1HB       PHE  10 -13.305  -5.082   6.341
   85   2HB   PHE  10          2HB       PHE  10 -14.967  -4.916   5.810
   86    HD1  PHE  10           1HD      PHE  10 -12.541  -7.110   7.424
   87    HD2  PHE  10           2HD      PHE  10 -16.546  -6.764   6.065
   88    HE1  PHE  10           1HE      PHE  10 -13.177  -9.120   8.786
   89    HE2  PHE  10           2HE      PHE  10 -17.182  -8.774   7.427
   90    HZ   PHE  10           HZ       PHE  10 -15.490  -9.928   8.772
   91    H    SER  11           H        SER  11 -14.695  -3.722   3.493
   92    HA   SER  11           HA       SER  11 -12.032  -2.659   2.959
   93   1HB   SER  11          1HB       SER  11 -13.207  -1.390   1.034
   94   2HB   SER  11          2HB       SER  11 -12.879  -3.095   0.794
   95    HG   SER  11           HG       SER  11 -14.972  -3.397   0.521
   96    H    LYS  12           H        LYS  12 -11.854  -0.280   3.149
   97    HA   LYS  12           HA       LYS  12 -14.129   1.006   4.438
   98   1HB   LYS  12          1HB       LYS  12 -11.615   0.241   5.765
   99   2HB   LYS  12          2HB       LYS  12 -12.021   1.935   5.950
  100   1HG   LYS  12          1HG       LYS  12 -14.414   0.289   6.281
  101   2HG   LYS  12          2HG       LYS  12 -13.146  -0.270   7.354
  102   1HD   LYS  12          1HD       LYS  12 -13.204   2.640   7.375
  103   2HD   LYS  12          2HD       LYS  12 -14.820   2.029   7.672
  104   1HE   LYS  12          1HE       LYS  12 -13.579   0.376   9.352
  105   2HE   LYS  12          2HE       LYS  12 -12.296   1.567   9.283
  106   1HZ   LYS  12          1HZ       LYS  12 -14.837   1.745  10.535
  107   2HZ   LYS  12          2HZ       LYS  12 -13.482   2.614  10.809
  108    H    THR  13           H        THR  13 -13.196   3.478   4.922
  109    HA   THR  13           HA       THR  13 -11.991   4.284   2.355
  110    HB   THR  13           HB       THR  13 -14.255   5.486   4.022
  111    HG1  THR  13           1HG      THR  13 -15.094   5.267   1.675
  112   1HG2  THR  13          1HG2      THR  13 -12.505   7.177   2.945
  113   2HG2  THR  13          2HG2      THR  13 -13.229   6.642   1.409
  114    H    CYS  14           H        CYS  14 -10.230   5.578   2.382
  115    HA   CYS  14           HA       CYS  14  -8.934   5.906   4.875
  116   1HB   CYS  14          1HB       CYS  14  -8.050   7.349   2.408
  117   2HB   CYS  14          2HB       CYS  14  -7.092   6.614   3.678
  118    HA   PRO  15           HA       PRO  15 -10.816   9.783   5.705
  119   1HB   PRO  15          1HB       PRO  15  -9.564  10.315   8.076
  120   2HB   PRO  15          2HB       PRO  15 -10.994   9.309   7.951
  121   1HG   PRO  15          1HG       PRO  15  -8.186   8.493   8.388
  122   2HG   PRO  15          2HG       PRO  15  -9.653   7.580   8.680
  123   1HD   PRO  15          1HD       PRO  15  -7.841   7.260   6.480
  124   2HD   PRO  15          2HD       PRO  15  -9.366   6.428   6.711
  125    H    ALA  16           H        ALA  16 -10.276  12.109   6.152
  126    HA   ALA  16           HA       ALA  16  -8.631  13.067   4.252
  127   1HB   ALA  16          1HB       ALA  16  -9.111  14.232   7.025
  128   2HB   ALA  16          2HB       ALA  16  -8.564  15.141   5.596
  129    H    GLY  17           H        GLY  17  -6.440  13.888   4.174
  130   1HA   GLY  17          1HA       GLY  17  -4.276  14.105   4.971
  131   2HA   GLY  17          2HA       GLY  17  -4.645  13.053   6.323
  132    H    LYS  18           H        LYS  18  -5.723  10.773   5.146
  133    HA   LYS  18           HA       LYS  18  -3.443   9.851   3.547
  134   1HB   LYS  18          1HB       LYS  18  -4.514   7.560   4.422
  135   2HB   LYS  18          2HB       LYS  18  -3.318   8.462   5.331
  136   1HG   LYS  18          1HG       LYS  18  -5.139   9.613   6.598
  137   2HG   LYS  18          2HG       LYS  18  -6.342   8.729   5.680
  138   1HD   LYS  18          1HD       LYS  18  -6.183   7.377   7.578
  139   2HD   LYS  18          2HD       LYS  18  -5.025   6.585   6.527
  140   1HE   LYS  18          1HE       LYS  18  -3.334   7.017   7.978
  141   2HE   LYS  18          2HE       LYS  18  -3.674   8.736   7.926
  142   1HZ   LYS  18          1HZ       LYS  18  -4.930   8.610   9.772
  143   2HZ   LYS  18          2HZ       LYS  18  -5.478   7.099   9.480
  144    H    ASN  19           H        ASN  19  -4.066  10.263   1.443
  145    HA   ASN  19           HA       ASN  19  -6.661   9.157   0.710
  146   1HB   ASN  19          1HB       ASN  19  -5.087  11.553  -0.223
  147   2HB   ASN  19          2HB       ASN  19  -6.009  10.701  -1.446
  148   1HD2  ASN  19          1HD2      ASN  19  -6.131  12.474   1.563
  149   2HD2  ASN  19          2HD2      ASN  19  -7.817  12.871   1.550
  150    H    LEU  20           H        LEU  20  -3.725   8.030   0.976
  151    HA   LEU  20           HA       LEU  20  -3.613   6.932  -1.746
  152   1HB   LEU  20          1HB       LEU  20  -1.348   7.809   0.042
  153   2HB   LEU  20          2HB       LEU  20  -1.125   6.751  -1.336
  154    HG   LEU  20           HG       LEU  20  -2.569   9.282  -1.890
  155   1HD1  LEU  20          1HD1      LEU  20  -0.696  10.722  -1.797
  156   2HD1  LEU  20          2HD1      LEU  20  -0.768   9.900  -0.220
  157   1HD2  LEU  20          1HD2      LEU  20  -0.716   9.152  -3.776
  158   2HD2  LEU  20          2HD2      LEU  20  -0.646   7.451  -3.256
  159    H    CYS  21           H        CYS  21  -3.647   4.730  -1.885
  160    HA   CYS  21           HA       CYS  21  -3.786   3.332   0.660
  161   1HB   CYS  21          1HB       CYS  21  -4.467   2.305  -2.100
  162   2HB   CYS  21          2HB       CYS  21  -4.808   1.522  -0.570
  163    H    TYR  22           H        TYR  22  -2.101   2.028   1.334
  164    HA   TYR  22           HA       TYR  22  -0.006   1.477  -0.658
  165   1HB   TYR  22          1HB       TYR  22   1.524   1.820   1.177
  166   2HB   TYR  22          2HB       TYR  22   0.297   3.036   1.469
  167    HD1  TYR  22           1HD      TYR  22  -0.955   3.046   3.479
  168    HD2  TYR  22           2HD      TYR  22   1.378  -0.391   2.458
  169    HE1  TYR  22           1HE      TYR  22  -1.353   2.078   5.796
  170    HE2  TYR  22           2HE      TYR  22   0.972  -1.348   4.778
  171    HH   TYR  22           HH       TYR  22  -1.400  -0.204   6.808
  172    H    LYS  23           H        LYS  23   1.128  -0.583  -0.477
  173    HA   LYS  23           HA       LYS  23  -0.234  -2.576   1.158
  174   1HB   LYS  23          1HB       LYS  23  -0.586  -4.081  -0.659
  175   2HB   LYS  23          2HB       LYS  23  -1.327  -2.552  -1.086
  176   1HG   LYS  23          1HG       LYS  23   0.663  -1.947  -2.455
  177   2HG   LYS  23          2HG       LYS  23   1.453  -3.441  -1.993
  178   1HD   LYS  23          1HD       LYS  23   0.304  -4.647  -3.545
  179   2HD   LYS  23          2HD       LYS  23  -1.233  -3.965  -3.052
  180   1HE   LYS  23          1HE       LYS  23  -0.947  -2.029  -4.474
  181   2HE   LYS  23          2HE       LYS  23   0.748  -2.383  -4.743
  182   1HZ   LYS  23          1HZ       LYS  23   0.187  -4.231  -6.035
  183   2HZ   LYS  23          2HZ       LYS  23  -1.377  -4.227  -5.565
  184    H    MET  24           H        MET  24   1.235  -3.760   2.259
  185    HA   MET  24           HA       MET  24   3.961  -3.651   1.232
  186   1HB   MET  24          1HB       MET  24   2.829  -4.117   4.046
  187   2HB   MET  24          2HB       MET  24   4.536  -4.237   3.670
  188   1HG   MET  24          1HG       MET  24   4.323  -1.819   2.716
  189   2HG   MET  24          2HG       MET  24   2.767  -1.761   3.520
  190   1HE   MET  24          1HE       MET  24   2.968  -3.358   6.034
  191   2HE   MET  24          2HE       MET  24   3.657  -2.264   7.257
  192    H    PHE  25           H        PHE  25   5.093  -5.544   0.790
  193    HA   PHE  25           HA       PHE  25   3.973  -8.052   1.718
  194   1HB   PHE  25          1HB       PHE  25   3.731  -8.905  -0.552
  195   2HB   PHE  25          2HB       PHE  25   2.965  -7.329  -0.572
  196    HD1  PHE  25           1HD      PHE  25   4.554  -5.333  -1.258
  197    HD2  PHE  25           2HD      PHE  25   5.273  -9.408  -2.200
  198    HE1  PHE  25           1HE      PHE  25   6.043  -4.632  -3.153
  199    HE2  PHE  25           2HE      PHE  25   6.761  -8.707  -4.095
  200    HZ   PHE  25           HZ       PHE  25   7.129  -6.328  -4.549
  201    H    MET  26           H        MET  26   5.478  -9.923   1.186
  202    HA   MET  26           HA       MET  26   8.176  -8.945   1.492
  203   1HB   MET  26          1HB       MET  26   6.851 -11.693   1.793
  204   2HB   MET  26          2HB       MET  26   8.576 -11.456   1.995
  205   1HG   MET  26          1HG       MET  26   7.978  -9.644   3.751
  206   2HG   MET  26          2HG       MET  26   6.334 -10.246   3.672
  207   1HE   MET  26          1HE       MET  26   7.992 -11.222   6.932
  208   2HE   MET  26          2HE       MET  26   9.547 -11.081   6.078
  209    H    VAL  27           H        VAL  27   9.972  -9.745   0.200
  210    HA   VAL  27           HA       VAL  27   9.440  -9.829  -2.522
  211    HB   VAL  27           HB       VAL  27  11.548  -9.143  -1.420
  212   1HG1  VAL  27          1HG1      VAL  27  13.143 -11.278  -1.130
  213   2HG1  VAL  27          2HG1      VAL  27  12.177 -10.613   0.209
  214   1HG2  VAL  27          1HG2      VAL  27  11.221 -10.062  -3.896
  215   2HG2  VAL  27          2HG2      VAL  27  12.823  -9.603  -3.269
  216    H    ALA  28           H        ALA  28   9.038 -12.246  -0.093
  217    HA   ALA  28           HA       ALA  28   9.716 -14.602  -1.106
  218   1HB   ALA  28          1HB       ALA  28   7.954 -13.694   0.806
  219   2HB   ALA  28          2HB       ALA  28   6.863 -14.520  -0.332
  220    H    ALA  29           H        ALA  29   6.925 -12.601  -2.246
  221    HA   ALA  29           HA       ALA  29   7.170 -13.853  -4.837
  222   1HB   ALA  29          1HB       ALA  29   5.447 -15.037  -3.053
  223   2HB   ALA  29          2HB       ALA  29   4.377 -13.861  -3.854
  224    HA   PRO  30           HA       PRO  30   6.034  -9.797  -5.844
  225   1HB   PRO  30          1HB       PRO  30   5.571 -10.079  -8.523
  226   2HB   PRO  30          2HB       PRO  30   7.176  -9.903  -7.841
  227   1HG   PRO  30          1HG       PRO  30   5.865 -12.334  -8.895
  228   2HG   PRO  30          2HG       PRO  30   7.570 -12.041  -8.612
  229   1HD   PRO  30          1HD       PRO  30   5.802 -13.601  -6.978
  230   2HD   PRO  30          2HD       PRO  30   7.476 -13.212  -6.635
  231    H    HIS  31           H        HIS  31   3.929 -12.268  -5.597
  232    HA   HIS  31           HA       HIS  31   1.735 -10.380  -5.813
  233   1HB   HIS  31          1HB       HIS  31   2.056 -11.754  -7.983
  234   2HB   HIS  31          2HB       HIS  31   1.467 -13.117  -7.052
  235    HD1  HIS  31           1HD      HIS  31  -1.014 -13.431  -7.055
  236    HD2  HIS  31           2HD      HIS  31   0.079  -9.475  -7.918
  237    HE1  HIS  31           1HE      HIS  31  -3.178 -12.196  -7.607
  238    H    VAL  32           H        VAL  32   2.755 -10.907  -3.424
  239    HA   VAL  32           HA       VAL  32   0.719 -12.559  -2.226
  240    HB   VAL  32           HB       VAL  32   3.657 -13.232  -2.102
  241   1HG1  VAL  32          1HG1      VAL  32   3.144 -14.810  -0.300
  242   2HG1  VAL  32          2HG1      VAL  32   2.781 -13.140   0.197
  243   1HG2  VAL  32          1HG2      VAL  32   2.442 -14.306  -3.910
  244   2HG2  VAL  32          2HG2      VAL  32   2.834 -15.508  -2.657
  245    HA   PRO  33           HA       PRO  33   1.670  -8.869   0.108
  246   1HB   PRO  33          1HB       PRO  33  -0.913  -8.182   0.678
  247   2HB   PRO  33          2HB       PRO  33  -0.050  -7.585  -0.725
  248   1HG   PRO  33          1HG       PRO  33  -2.162  -9.649  -0.588
  249   2HG   PRO  33          2HG       PRO  33  -1.598  -8.746  -1.980
  250   1HD   PRO  33          1HD       PRO  33  -0.971 -11.469  -1.333
  251   2HD   PRO  33          2HD       PRO  33  -0.317 -10.530  -2.660
  252    H    VAL  34           H        VAL  34   1.568  -8.281   2.357
  253    HA   VAL  34           HA       VAL  34   0.801 -10.654   3.911
  254    HB   VAL  34           HB       VAL  34   3.254  -9.964   3.710
  255   1HG1  VAL  34          1HG1      VAL  34   4.041  -8.166   5.125
  256   2HG1  VAL  34          2HG1      VAL  34   2.837  -7.520   3.983
  257   1HG2  VAL  34          1HG2      VAL  34   2.124 -10.109   6.522
  258   2HG2  VAL  34          2HG2      VAL  34   2.271 -11.508   5.431
  259    H    LYS  35           H        LYS  35   0.876  -7.051   3.761
  260    HA   LYS  35           HA       LYS  35  -1.592  -7.006   5.249
  261   1HB   LYS  35          1HB       LYS  35   1.006  -6.272   6.468
  262   2HB   LYS  35          2HB       LYS  35  -0.277  -5.098   6.679
  263   1HG   LYS  35          1HG       LYS  35  -1.473  -6.463   8.079
  264   2HG   LYS  35          2HG       LYS  35  -1.181  -7.888   7.102
  265   1HD   LYS  35          1HD       LYS  35   1.081  -8.137   8.052
  266   2HD   LYS  35          2HD       LYS  35   0.917  -6.631   8.932
  267   1HE   LYS  35          1HE       LYS  35  -0.737  -7.534  10.412
  268   2HE   LYS  35          2HE       LYS  35  -1.074  -8.889   9.354
  269   1HZ   LYS  35          1HZ       LYS  35   0.397  -9.986  10.550
  270   2HZ   LYS  35          2HZ       LYS  35   1.583  -9.067   9.907
  271    H    ARG  36           H        ARG  36  -2.501  -4.753   5.255
  272    HA   ARG  36           HA       ARG  36  -1.306  -2.858   3.384
  273   1HB   ARG  36          1HB       ARG  36  -3.973  -4.164   2.720
  274   2HB   ARG  36          2HB       ARG  36  -3.133  -2.905   1.782
  275   1HG   ARG  36          1HG       ARG  36  -1.206  -4.480   1.480
  276   2HG   ARG  36          2HG       ARG  36  -2.148  -5.741   2.311
  277   1HD   ARG  36          1HD       ARG  36  -3.311  -4.266  -0.057
  278   2HD   ARG  36          2HD       ARG  36  -2.200  -5.630  -0.307
  279    HE   ARG  36           HE       ARG  36  -4.402  -6.183   1.536
  280   1HH1  ARG  36          1HH1      ARG  36  -5.920  -8.303  -0.839
  281   2HH1  ARG  36          2HH1      ARG  36  -5.915  -7.781   0.830
  282   1HH2  ARG  36          1HH2      ARG  36  -4.408  -7.391  -2.346
  283   2HH2  ARG  36          2HH2      ARG  36  -3.263  -6.181  -1.811
  284    H    GLY  37           H        GLY  37  -2.650  -0.838   3.217
  285   1HA   GLY  37          1HA       GLY  37  -4.903  -0.410   4.833
  286   2HA   GLY  37          2HA       GLY  37  -3.476   0.000   5.765
  287    H    CYS  38           H        CYS  38  -4.755   2.188   5.543
  288    HA   CYS  38           HA       CYS  38  -4.075   3.466   3.011
  289   1HB   CYS  38          1HB       CYS  38  -5.996   4.207   5.217
  290   2HB   CYS  38          2HB       CYS  38  -5.539   5.329   3.951
  291    H    ILE  39           H        ILE  39  -3.077   5.689   3.161
  292    HA   ILE  39           HA       ILE  39  -1.973   6.549   5.622
  293    HB   ILE  39           HB       ILE  39  -0.581   4.479   4.815
  294   1HG1  ILE  39          1HG1      ILE  39   1.136   6.805   5.555
  295   2HG1  ILE  39          2HG1      ILE  39  -0.189   6.411   6.631
  296   1HG2  ILE  39          1HG2      ILE  39   1.389   5.213   3.461
  297   2HG2  ILE  39          2HG2      ILE  39  -0.144   5.148   2.560
  298   1HD1  ILE  39          1HD1      ILE  39   1.179   3.969   5.804
  299   2HD1  ILE  39          2HD1      ILE  39   2.333   5.133   6.498
  300    H    ASP  40           H        ASP  40  -0.029   8.230   4.847
  301    HA   ASP  40           HA       ASP  40  -1.344   9.838   2.709
  302   1HB   ASP  40          1HB       ASP  40  -0.039  11.727   3.927
  303   2HB   ASP  40          2HB       ASP  40  -1.508  11.082   4.690
  304    HD2  ASP  40           HD       ASP  40   0.284   9.633   7.277
  305    H    VAL  41           H        VAL  41   1.839   8.947   4.194
  306    HA   VAL  41           HA       VAL  41   3.039   9.563   1.583
  307    HB   VAL  41           HB       VAL  41   4.166   9.710   4.383
  308   1HG1  VAL  41          1HG1      VAL  41   6.271   9.665   3.607
  309   2HG1  VAL  41          2HG1      VAL  41   5.585   8.951   2.127
  310   1HG2  VAL  41          1HG2      VAL  41   2.961  11.681   4.010
  311   2HG2  VAL  41          2HG2      VAL  41   4.625  12.118   3.551
  312    H    CYS  42           H        CYS  42   4.272   7.981   0.572
  313    HA   CYS  42           HA       CYS  42   3.924   5.336   1.670
  314   1HB   CYS  42          1HB       CYS  42   3.784   6.311  -0.868
  315   2HB   CYS  42          2HB       CYS  42   5.420   5.682  -0.853
  316    HA   PRO  43           HA       PRO  43   8.017   5.315   3.197
  317   1HB   PRO  43          1HB       PRO  43   8.272   2.655   3.766
  318   2HB   PRO  43          2HB       PRO  43   7.473   3.791   4.834
  319   1HG   PRO  43          1HG       PRO  43   6.271   1.750   3.065
  320   2HG   PRO  43          2HG       PRO  43   5.550   2.584   4.427
  321   1HD   PRO  43          1HD       PRO  43   5.088   3.118   1.646
  322   2HD   PRO  43          2HD       PRO  43   4.458   4.026   3.006
  323    H    LYS  44           H        LYS  44  10.232   4.402   2.898
  324    HA   LYS  44           HA       LYS  44  10.707   4.346   0.112
  325   1HB   LYS  44          1HB       LYS  44  12.319   5.351   1.570
  326   2HB   LYS  44          2HB       LYS  44  12.466   3.896   2.533
  327   1HG   LYS  44          1HG       LYS  44  14.348   3.716   1.147
  328   2HG   LYS  44          2HG       LYS  44  13.182   2.750   0.264
  329   1HD   LYS  44          1HD       LYS  44  12.649   5.251  -0.768
  330   2HD   LYS  44          2HD       LYS  44  14.361   5.403  -0.430
  331   1HE   LYS  44          1HE       LYS  44  14.785   3.279  -1.715
  332   2HE   LYS  44          2HE       LYS  44  13.075   3.178  -2.085
  333   1HZ   LYS  44          1HZ       LYS  44  14.574   4.289  -3.756
  334   2HZ   LYS  44          2HZ       LYS  44  13.195   5.077  -3.377
  335    H    SER  45           H        SER  45  11.391   2.626  -1.235
  336    HA   SER  45           HA       SER  45  10.380   0.094  -0.319
  337   1HB   SER  45          1HB       SER  45  10.959   1.376  -2.951
  338   2HB   SER  45          2HB       SER  45  11.222  -0.355  -2.893
  339    HG   SER  45           HG       SER  45   8.780   0.963  -2.055
  340    H    SER  46           H        SER  46  11.676  -1.626   0.285
  341    HA   SER  46           HA       SER  46  14.532  -1.225  -0.125
  342   1HB   SER  46          1HB       SER  46  14.940  -2.358   1.908
  343   2HB   SER  46          2HB       SER  46  13.527  -1.382   2.258
  344    HG   SER  46           HG       SER  46  13.375  -3.649   2.981
  345    H    LEU  47           H        LEU  47  15.726  -3.550  -0.062
  346    HA   LEU  47           HA       LEU  47  14.749  -4.927  -2.342
  347   1HB   LEU  47          1HB       LEU  47  16.994  -5.634  -0.449
  348   2HB   LEU  47          2HB       LEU  47  16.714  -6.337  -2.029
  349    HG   LEU  47           HG       LEU  47  16.999  -3.380  -1.955
  350   1HD1  LEU  47          1HD1      LEU  47  19.633  -4.580  -2.057
  351   2HD1  LEU  47          2HD1      LEU  47  19.031  -3.226  -1.071
  352   1HD2  LEU  47          1HD2      LEU  47  18.466  -3.970  -3.967
  353   2HD2  LEU  47          2HD2      LEU  47  17.855  -5.630  -3.772
  354    H    LEU  48           H        LEU  48  15.308  -5.969   1.099
  355    HA   LEU  48           HA       LEU  48  14.198  -8.442   0.933
  356   1HB   LEU  48          1HB       LEU  48  15.281  -6.977   2.881
  357   2HB   LEU  48          2HB       LEU  48  13.599  -6.807   3.345
  358    HG   LEU  48           HG       LEU  48  14.739  -8.642   4.524
  359   1HD1  LEU  48          1HD1      LEU  48  12.598  -9.264   4.668
  360   2HD1  LEU  48          2HD1      LEU  48  12.283  -8.923   2.949
  361   1HD2  LEU  48          1HD2      LEU  48  15.606 -10.557   3.485
  362   2HD2  LEU  48          2HD2      LEU  48  14.853 -10.163   1.921
  363    H    VAL  49           H        VAL  49  12.397  -5.473   2.022
  364    HA   VAL  49           HA       VAL  49   9.981  -6.776   0.970
  365    HB   VAL  49           HB       VAL  49   8.753  -5.503   2.654
  366   1HG1  VAL  49          1HG1      VAL  49   9.766  -6.672   4.712
  367   2HG1  VAL  49          2HG1      VAL  49   9.260  -7.692   3.344
  368   1HG2  VAL  49          1HG2      VAL  49  11.498  -4.563   3.547
  369   2HG2  VAL  49          2HG2      VAL  49  10.169  -3.562   2.914
  370    H    LYS  50           H        LYS  50   8.443  -5.423  -0.147
  371    HA   LYS  50           HA       LYS  50   9.513  -2.811  -0.927
  372   1HB   LYS  50          1HB       LYS  50   9.876  -4.839  -2.592
  373   2HB   LYS  50          2HB       LYS  50   8.198  -4.538  -2.994
  374   1HG   LYS  50          1HG       LYS  50   8.957  -2.006  -3.160
  375   2HG   LYS  50          2HG       LYS  50  10.572  -2.674  -3.287
  376   1HD   LYS  50          1HD       LYS  50   8.541  -3.987  -5.034
  377   2HD   LYS  50          2HD       LYS  50   8.864  -2.309  -5.423
  378   1HE   LYS  50          1HE       LYS  50  11.342  -3.823  -4.880
  379   2HE   LYS  50          2HE       LYS  50  10.419  -4.516  -6.199
  380   1HZ   LYS  50          1HZ       LYS  50  11.473  -1.799  -5.980
  381   2HZ   LYS  50          2HZ       LYS  50  11.724  -2.895  -7.164
  382    H    TYR  51           H        TYR  51   7.871  -1.267  -1.583
  383    HA   TYR  51           HA       TYR  51   5.151  -2.094  -0.843
  384   1HB   TYR  51          1HB       TYR  51   6.405   0.640  -0.268
  385   2HB   TYR  51          2HB       TYR  51   5.008  -0.074   0.513
  386    HD1  TYR  51           1HD      TYR  51   5.942  -2.710   1.361
  387    HD2  TYR  51           2HD      TYR  51   8.004   1.039   1.374
  388    HE1  TYR  51           1HE      TYR  51   7.425  -3.524   3.260
  389    HE2  TYR  51           2HE      TYR  51   9.480   0.212   3.273
  390    HH   TYR  51           HH       TYR  51   9.591  -1.351   4.912
  391    H    VAL  52           H        VAL  52   3.450  -0.981  -1.937
  392    HA   VAL  52           HA       VAL  52   4.328   0.833  -4.059
  393    HB   VAL  52           HB       VAL  52   2.717  -1.697  -4.336
  394   1HG1  VAL  52          1HG1      VAL  52   1.321  -0.342  -5.567
  395   2HG1  VAL  52          2HG1      VAL  52   2.617   0.803  -5.987
  396   1HG2  VAL  52          1HG2      VAL  52   4.797  -0.861  -6.297
  397   2HG2  VAL  52          2HG2      VAL  52   5.360  -1.330  -4.675
  398    H    CYS  53           H        CYS  53   2.933   2.551  -4.419
  399    HA   CYS  53           HA       CYS  53   0.536   2.530  -2.732
  400   1HB   CYS  53          1HB       CYS  53   2.588   4.625  -3.260
  401   2HB   CYS  53          2HB       CYS  53   0.925   5.149  -3.089
  402    H    CYS  54           H        CYS  54  -1.299   3.881  -3.671
  403    HA   CYS  54           HA       CYS  54  -1.201   4.667  -6.366
  404   1HB   CYS  54          1HB       CYS  54  -3.092   2.840  -6.903
  405   2HB   CYS  54          2HB       CYS  54  -1.401   2.656  -7.325
  406    H    ASN  55           H        ASN  55  -3.129   5.872  -6.865
  407    HA   ASN  55           HA       ASN  55  -4.844   6.191  -4.542
  408   1HB   ASN  55          1HB       ASN  55  -5.513   8.361  -5.815
  409   2HB   ASN  55          2HB       ASN  55  -3.895   8.307  -5.144
  410   1HD2  ASN  55          1HD2      ASN  55  -2.769   9.524  -6.501
  411   2HD2  ASN  55          2HD2      ASN  55  -2.584   9.261  -8.203
  412    H    THR  56           H        THR  56  -5.645   3.950  -5.707
  413    HA   THR  56           HA       THR  56  -7.936   4.734  -7.361
  414    HB   THR  56           HB       THR  56  -7.429   2.584  -8.702
  415    HG1  THR  56           1HG      THR  56  -4.983   2.173  -8.442
  416   1HG2  THR  56          1HG2      THR  56  -6.375   5.192  -9.035
  417   2HG2  THR  56          2HG2      THR  56  -4.965   4.116  -9.179
  418    H    ASP  57           H        ASP  57  -9.725   3.256  -7.249
  419    HA   ASP  57           HA       ASP  57 -10.170   2.318  -4.583
  420   1HB   ASP  57          1HB       ASP  57 -11.630   2.460  -7.156
  421   2HB   ASP  57          2HB       ASP  57 -12.117   1.122  -6.093
  422    HD2  ASP  57           HD       ASP  57 -13.989   4.081  -5.145
  423    H    LYS  58           H        LYS  58  -9.651   0.417  -3.634
  424    HA   LYS  58           HA       LYS  58  -8.877  -1.634  -3.378
  425   1HB   LYS  58          1HB       LYS  58 -11.125  -1.900  -4.809
  426   2HB   LYS  58          2HB       LYS  58 -10.009  -2.585  -5.972
  427   1HG   LYS  58          1HG       LYS  58  -9.425  -3.587  -3.282
  428   2HG   LYS  58          2HG       LYS  58 -11.106  -3.870  -3.689
  429   1HD   LYS  58          1HD       LYS  58 -10.342  -5.715  -4.793
  430   2HD   LYS  58          2HD       LYS  58  -9.861  -4.594  -6.052
  431   1HE   LYS  58          1HE       LYS  58  -7.629  -4.323  -4.763
  432   2HE   LYS  58          2HE       LYS  58  -8.128  -5.701  -3.801
  433   1HZ   LYS  58          1HZ       LYS  58  -6.822  -6.409  -5.648
  434   2HZ   LYS  58          2HZ       LYS  58  -8.347  -6.952  -5.863
  435    H    CYS  59           H        CYS  59  -6.910   0.004  -4.128
  436    HA   CYS  59           HA       CYS  59  -5.616  -1.201  -6.436
  437   1HB   CYS  59          1HB       CYS  59  -4.475   0.714  -6.713
  438   2HB   CYS  59          2HB       CYS  59  -5.826   1.378  -5.817
  439    H    ASN  60           H        ASN  60  -5.188  -0.508  -2.905
  440    HA   ASN  60           HA       ASN  60  -2.779  -2.031  -2.848
  441   1HB   ASN  60          1HB       ASN  60  -2.651  -1.374  -0.529
  442   2HB   ASN  60          2HB       ASN  60  -3.322   0.012  -1.367
  443   1HD2  ASN  60          1HD2      ASN  60  -3.568  -0.609   1.397
  444   2HD2  ASN  60          2HD2      ASN  60  -5.245  -0.822   1.775
  445   1H    HOH  61          1H        HOH  61   4.345 -11.567   1.303
  446   2H    HOH  61          2H        HOH  61   4.645 -10.553   2.385
  447   1H    HOH  62          1H        HOH  62   7.503 -15.473  -6.502
  448   2H    HOH  62          2H        HOH  62   8.546 -16.304  -7.216