*HEADER    METAL BINDING PROTEIN                   25-NOV-05   2F5H              
*TITLE     SOLUTION STRUCTURE OF THE ALPHA-DOMAIN OF HUMAN                       
*TITLE    2 METALLOTHIONEIN-3                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: METALLOTHIONEIN-3;                                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C-TERMINAL (ALPHA) DOMAIN;                                 
*COMPND   5 SYNONYM: MT-3, METALLOTHIONEIN-III, MT-III, GROWTH                   
*COMPND   6 INHIBITORY FACTOR, GIF, GIFB;                                        
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PGEX4T2                                   
*KEYWDS    ALPHA HELIX, CADMIUM-THIOLATE CLUSTER                                 
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    H.WANG, Q.ZHANG, B.CAI, H.Y.LI, K.H.SZE, Z.X.HUANG, H.M.WU,           
*AUTHOR   2 H.Z.SUN                                                              
*REVDAT   1   30-MAY-06 2F5H    0                                                


#2f5h-noe

 42 CYSS QB     43 GLU  H       4.00                
 43 GLU  H      43 GLU  HG2     4.43                
 43 GLU  H      43 GLU  QB      2.91                
 43 GLU  H      44 LYS  H       3.45                
 51 CYSS H      51 CYSS HB3     3.89                
 50 VAL  HA     51 CYSS H       3.25                
 51 CYSS H      51 CYSS HB2     3.89                
 50 VAL  QG2    51 CYSS H       3.72                
 51 CYSS H      52 LYS  H       4.01                
 39 PRO  HA     40 ALA  H       3.22                
 39 PRO  HB3    40 ALA  H       4.27                
 40 ALA  H      41 GLU  QG      4.71                
 40 ALA  H      40 ALA  QB      3.16                
 40 ALA  HA     41 GLU  H       3.41                
 41 GLU  H      41 GLU  QG      3.18                
 39 PRO  HG2    41 GLU  H       4.52                
 40 ALA  QB     41 GLU  H       3.72                
 62 GLU  H      63 LYS  H       4.10                
 61 ALA  HA     62 GLU  H       3.49                
 32 LYS  H      32 LYS  QG      4.08                
 61 ALA  QB     62 GLU  H       4.01                
 32 LYS  H      32 LYS  HB2     4.00                
 32 LYS  H      32 LYS  HB3     4.00                
 66 CYSS H      66 CYSS QB      3.46                
 44 LYS  H      44 LYS  QB      2.80                
 44 LYS  H      45 CYSS H       2.90                
 43 GLU  QB     44 LYS  H       3.45                
 44 LYS  H      44 LYS  HG2     3.67                
 44 LYS  H      44 LYS  HG3     3.67                
 48 ASP  HA     49 CYSS H       2.80                
 33 SER  HB3    34 CYSS H       4.09                
 34 CYSS H      34 CYSS HB2     3.76                
 34 CYSS H      34 CYSS HB3     3.76                
 49 CYSS H      49 CYSS QB      2.98                
 33 SER  HA     34 CYSS H       2.74                
 34 CYSS H      40 ALA  HA      4.57                
 33 SER  HB2    34 CYSS H       4.09                
 57 ALA  HA     58 GLU  H       3.48                
 58 GLU  H      58 GLU  HB2     4.02                
 58 GLU  H      58 GLU  QG      4.12                
 58 GLU  H      58 GLU  HB3     4.02                
 57 ALA  QB     58 GLU  H       3.93                
 33 SER  HA     35 CYSS H       4.39                
 59 ALA  HA     60 GLU  H       3.53                
 60 GLU  H      60 GLU  QG      4.19                
 59 ALA  QB     60 GLU  H       3.73                
 56 ALA  H      56 ALA  QB      3.46                
 46 ALA  H      47 LYS  H       3.61                
 47 LYS  H      47 LYS  HB3     3.77                
 47 LYS  H      47 LYS  HB2     3.77                
 56 ALA  HA     57 ALA  H       3.41                
 58 GLU  HA     59 ALA  H       3.23                
 59 ALA  H      59 ALA  QB      3.08                
 60 GLU  QG     61 ALA  H       4.19                
 61 ALA  H      61 ALA  QB      2.88                
 63 LYS  QB     64 CYSS H       3.92                
 63 LYS  QD     64 CYSS H       4.32                
 52 LYS  H      52 LYS  HB3     3.94                
 52 LYS  H      52 LYS  HG2     4.18                
 52 LYS  H      52 LYS  HG3     4.18                
 63 LYS  H      63 LYS  QB      3.97                
 61 ALA  QB     63 LYS  H       3.94                
 63 LYS  H      63 LYS  QG      4.27                
 63 LYS  H      63 LYS  QD      4.31                
 44 LYS  QB     45 CYSS H       3.26                
 45 CYSS H      46 ALA  H       3.09                
 42 CYSS HA     45 CYSS H       4.87                
 43 GLU  HA     45 CYSS H       5.16                
 45 CYSS H      45 CYSS HB3     3.72                
 42 CYSS QB     45 CYSS H       3.55                
 45 CYSS H      45 CYSS HB2     3.12                
 45 CYSS H      46 ALA  QB      4.19                
 45 CYSS HA     48 ASP  H       3.91                
 48 ASP  H      48 ASP  HB2     3.94                
 47 LYS  HB3    48 ASP  H       3.81                
 47 LYS  HB2    48 ASP  H       3.81                
 46 ALA  QB     48 ASP  H       4.66                
 47 LYS  HG3    48 ASP  H       5.22                
 47 LYS  H      48 ASP  H       2.91                
 49 CYSS QB     50 VAL  H       4.08                
 50 VAL  H      51 CYSS H       3.11                
 45 CYSS HA     50 VAL  H       3.67                
 49 CYSS HA     50 VAL  H       2.59                
 50 VAL  H      50 VAL  HB      3.79                
 50 VAL  H      50 VAL  QG1     3.15                
 50 VAL  H      50 VAL  QG2     2.74                
 66 CYSS H      67 CYSS H       3.47                
 67 CYSS H      67 CYSS HB3     3.99                
 67 CYSS H      68 GLN  H       3.97                
 67 CYSS HA     68 GLN  H       3.37                
 68 GLN  H      68 GLN  HB2     3.81                
 68 GLN  H      68 GLN  QG      4.15                
 68 GLN  H      68 GLN  HB3     3.81                
 41 GLU  H      42 CYSS H       3.34                
 41 GLU  HA     42 CYSS H       3.33                
 42 CYSS H      42 CYSS QB      2.52                
 41 GLU  QG     42 CYSS H       4.64                
 44 LYS  HA     46 ALA  H       4.07                
 46 ALA  H      46 ALA  QB      2.62                
 67 CYSS H      67 CYSS HB2     3.99                
 34 CYSS H      40 ALA  QB      5.11                
 34 CYSS HB3    35 CYSS H       4.86                
 34 CYSS HB2    35 CYSS H       4.86                
 35 CYSS HA     37 CYSS H       4.39                
 37 CYSS H      37 CYSS HB3     4.14                
 37 CYSS H      37 CYSS HB2     4.14                
 37 CYSS H      38 CYSS H       3.29                
 38 CYSS H      38 CYSS QB      3.61                
 39 PRO  HB2    40 ALA  H       4.27                
 33 SER  HB3    40 ALA  H       5.50                
 39 PRO  HD3    40 ALA  H       5.50                
 40 ALA  H      41 GLU  H       4.38                
 41 GLU  H      42 CYSS QB      4.77                
 39 PRO  HG3    41 GLU  H       4.52                
 40 ALA  QB     42 CYSS H       4.95                
 42 CYSS H      45 CYSS HB2     4.31                
 43 GLU  H      45 CYSS H       4.76                
 42 CYSS H      43 GLU  H       4.76                
 43 GLU  H      43 GLU  HG3     4.43                
 43 GLU  H      44 LYS  QB      4.72                
 43 GLU  H      46 ALA  QB      5.16                
 42 CYSS HA     43 GLU  H       2.68                
 44 LYS  H      46 ALA  H       4.28                
 44 LYS  H      50 VAL  QG2     5.13                
 44 LYS  H      46 ALA  QB      4.67                
 43 GLU  HG3    44 LYS  H       4.96                
 44 LYS  H      45 CYSS HB2     4.94                
 43 GLU  HG2    44 LYS  H       4.96                
 45 CYSS H      49 CYSS HA      5.50                
 43 GLU  QB     45 CYSS H       5.22                
 44 LYS  HG2    45 CYSS H       5.32                
 44 LYS  HG3    45 CYSS H       5.32                
 45 CYSS H      50 VAL  QG1     5.38                
 45 CYSS H      50 VAL  QG2     4.46                
 44 LYS  QB     46 ALA  H       4.86                
 43 GLU  QB     46 ALA  H       4.87                
 45 CYSS HB2    46 ALA  H       4.62                
 45 CYSS HB3    46 ALA  H       4.62                
 47 LYS  H      47 LYS  QD      4.95                
 46 ALA  HA     48 ASP  H       4.80                
 48 ASP  H      48 ASP  HB3     3.94                
 47 LYS  HG2    48 ASP  H       5.22                
 48 ASP  H      50 VAL  QG1     4.49                
 47 LYS  QD     48 ASP  H       5.02                
 45 CYSS HB3    50 VAL  H       4.65                
 49 CYSS H      50 VAL  H       4.53                
 48 ASP  H      49 CYSS H       4.70                
 49 CYSS QB     51 CYSS H       4.73                
 50 VAL  HB     51 CYSS H       4.61                
 50 VAL  QG1    51 CYSS H       4.57                
 51 CYSS HB2    52 LYS  H       4.78                
 51 CYSS HB3    52 LYS  H       4.78                
 52 LYS  H      52 LYS  HB2     3.94                
 52 LYS  H      52 LYS  QD      5.39                
 55 GLU  H      55 GLU  QG      5.16                
 55 GLU  HB3    56 ALA  H       4.84                
 55 GLU  HB2    56 ALA  H       4.84                
 57 ALA  H      57 ALA  QB      3.18                
 57 ALA  H      58 GLU  H       4.85                
 58 GLU  QG     59 ALA  H       4.80                
 58 GLU  H      59 ALA  H       4.73                
 59 ALA  H      60 GLU  H       5.19                
 60 GLU  HA     61 ALA  H       3.06                
 60 GLU  HB2    61 ALA  H       4.84                
 60 GLU  HB3    61 ALA  H       4.84                
 60 GLU  H      61 ALA  H       4.53                
 62 GLU  H      62 GLU  HG2     4.77                
 62 GLU  H      62 GLU  HG3     4.77                
 61 ALA  H      62 GLU  H       4.94                
 61 ALA  HA     63 LYS  H       4.28                
 37 CYSS HA     64 CYSS H       5.48                
 63 LYS  QG     64 CYSS H       4.32                
 31 LYS  H      32 LYS  H       4.84                
 31 LYS  H      31 LYS  QG      4.13                
 31 LYS  H      31 LYS  QD      5.06                
 31 LYS  H      31 LYS  HB2     3.95                
 31 LYS  H      31 LYS  HB3     3.95                
 30 CYS  HB3    31 LYS  H       4.69                
 30 CYS  HB2    31 LYS  H       4.69                
 30 CYS  H      31 LYS  H       3.67                
 30 CYS  H      30 CYS  HB3     4.00                
 30 CYS  H      30 CYS  HB2     4.00                
 31 LYS  HA     32 LYS  H       3.00                
 31 LYS  QG     32 LYS  H       4.42                
 31 LYS  QD     32 LYS  H       5.19                
 37 CYSS HA     63 LYS  H       5.50                
 32 LYS  QG     33 SER  H       5.50                
 33 SER  H      40 ALA  QB      5.44                
 37 CYSS H      38 CYSS QB      4.91                
 38 CYSS H      39 PRO  HD3     5.29                
 38 CYSS H      39 PRO  HD2     5.41                
 33 SER  HB2    40 ALA  H       5.50                
 39 PRO  HD2    42 CYSS H       4.52                
 39 PRO  HD3    42 CYSS H       5.50                
 38 CYSS QB     42 CYSS H       4.57                
 44 LYS  H      44 LYS  QE      4.90                
 44 LYS  QE     45 CYSS H       5.18                
 46 ALA  QB     47 LYS  H       3.09                
 65 SER  HB2    66 CYSS H       4.72                
 65 SER  HB3    66 CYSS H       4.72                
 66 CYSS QB     67 CYSS H       4.30                
 65 SER  HA     67 CYSS H       4.57                
 42 CYSS QB     44 LYS  H       4.67                
 43 GLU  HA     46 ALA  H       3.93                
 64 CYSS HA     66 CYSS H       4.70                
 45 CYSS HA     50 VAL  QG1     3.75                
 45 CYSS HA     50 VAL  QG2     3.50                
 44 LYS  QB     50 VAL  QG2     3.14                
 45 CYSS HB3    49 CYSS HA      3.51                
 33 SER  HA     40 ALA  HA      4.25                
 44 LYS  HA     50 VAL  QG2     4.10                
 44 LYS  HA     50 VAL  QG1     4.53                
 38 CYSS HA     42 CYSS QB      4.46                
 39 PRO  HD3    42 CYSS QB      4.34                
 33 SER  HA     40 ALA  QB      3.36                
 33 SER  HB3    40 ALA  QB      4.52                
 33 SER  HB2    40 ALA  QB      4.52                
 37 CYSS HA     62 GLU  HA      5.07                
 39 PRO  HD2    42 CYSS QB      3.43                
 38 CYSS QB     39 PRO  HD3     3.71                
 38 CYSS HA     39 PRO  HD2     3.25                
 42 CYSS QB     45 CYSS HB2     2.70                
 42 CYSS QB     45 CYSS HB3     3.79                
 42 CYSS HA     45 CYSS HB2     5.10                
 44 LYS  HD3    50 VAL  QG2     5.13                
 44 LYS  HG2    50 VAL  QG2     4.78                
 44 LYS  HD2    50 VAL  QG2     5.13                
 44 LYS  HG3    50 VAL  QG2     4.78                
 44 LYS  QE     50 VAL  QG2     4.23                
 45 CYSS HA     46 ALA  QB      4.86                
 45 CYSS HB2    49 CYSS HA      4.76                
 48 ASP  HA     49 CYSS QB      4.38                
 38 CYSS QB     39 PRO  HD2     3.30                
 30 CYS  H      30 CYS  QB      3.51               
 30 CYS  QB     31 LYS  H       4.12               
 31 LYS  H      31 LYS  QB      3.25               
 32 LYS  H      32 LYS  QB      3.22               
 33 SER  QB     34 CYSS H       3.59               
 33 SER  QB     35 CYSS H       3.56               
 33 SER  QB     40 ALA  QB      3.89               
 34 CYSS QB     35 CYSS H       4.21               
 35 CYSS QB     37 CYSS H       3.24               
 35 CYSS QB     38 CYSS H       4.88               
 36 SER  QB     37 CYSS H       4.26               
 37 CYSS QB     63 LYS  H       4.90               
 37 CYSS QB     64 CYSS H       3.58               
 38 CYSS HA     39 PRO  QG      4.44               
 39 PRO  QB     41 GLU  H       4.17               
 39 PRO  QG     41 GLU  H       3.96               
 39 PRO  QG     42 CYSS H       3.67               
 39 PRO  QG     42 CYSS QB      3.85               
 41 GLU  H      41 GLU  QB      3.29               
 41 GLU  QB     42 CYSS H       4.26               
 43 GLU  H      43 GLU  QG      3.67               
 44 LYS  H      44 LYS  QD      4.79               
 44 LYS  H      67 CYSS QB      5.11               
 44 LYS  QB     67 CYSS QB      4.02               
 44 LYS  QG     45 CYSS H       4.53               
 44 LYS  QG     67 CYSS HA      3.79               
 44 LYS  QG     67 CYSS QB      3.98               
 44 LYS  QD     50 VAL  QG2     4.37               
 44 LYS  QD     67 CYSS HA      4.23               
 47 LYS  H      47 LYS  QB      2.98               
 47 LYS  H      47 LYS  QG      4.37               
 47 LYS  QB     48 ASP  H       3.04               
 47 LYS  QG     48 ASP  H       4.60               
 48 ASP  H      48 ASP  QB      3.36               
 48 ASP  QB     49 CYSS H       3.52               
 50 VAL  H      51 CYSS QB      5.04               
 51 CYSS H      51 CYSS QB      3.35               
 51 CYSS QB     52 LYS  H       4.17               
 52 LYS  H      52 LYS  QB      3.35               
 55 GLU  QB     56 ALA  H       4.25               
 58 GLU  H      58 GLU  QB      3.42               
 58 GLU  QB     59 ALA  H       4.07               
 60 GLU  H      60 GLU  QB      3.54               
 60 GLU  QB     61 ALA  H       4.05               
 62 GLU  H      62 GLU  QB      3.64               
 62 GLU  H      62 GLU  QG      4.20               
 62 GLU  QB     63 LYS  H       3.89               
 62 GLU  QG     63 LYS  H       4.85               
 64 CYSS QB     66 CYSS H       3.42               
 64 CYSS QB     67 CYSS H       5.12               
 67 CYSS H      67 CYSS QB      3.24               
 67 CYSS QB     68 GLN  H       4.32               
 68 GLN  H      68 GLN  QB      3.20               
 68 GLN  QB     68 GLN  QE2     3.58               

#2f5h-disulfide 

 34 CYS SG      69 CD  CD        2.79        5.00 
 35 CYS SG      69 CD  CD        2.79        5.00
 45 CYS SG      69 CD  CD        2.79        5.00
 49 CYS SG      69 CD  CD        2.79        5.00
 
 34 CYS CB      69 CD  CD        3.70        5.00 
 35 CYS CB      69 CD  CD        3.70        5.00
 45 CYS CB      69 CD  CD        3.70        5.00
 49 CYS CB      69 CD  CD        3.70        5.00 

 34 CYS SG      35 CYS  SG       4.60        5.00   
 34 CYS SG      45 CYS  SG       4.60        5.00 
 34 CYS SG      49 CYS  SG       4.60        5.00  
 35 CYS SG      45 CYS  SG       4.60        5.00     
 35 CYS SG      49 CYS  SG       4.60        5.00 
 45 CYS SG      49 CYS  SG       4.60        5.00   

 35 CYS SG      70 CD  CD        2.85        5.00 
 37 CYS SG      70 CD  CD        2.85        5.00
 38 CYS SG      70 CD  CD        2.85        5.00
 51 CYS SG      70 CD  CD        2.85        5.00
 
 35 CYS CB      70 CD  CD        3.73        5.00 
 37 CYS CB      70 CD  CD        3.73        5.00
 38 CYS CB      70 CD  CD        3.73        5.00
 51 CYS CB      70 CD  CD        3.73        5.00     
 
 37 CYS SG      35 CYS  SG       4.63        5.00   
 37 CYS SG      38 CYS  SG       4.63        5.00 
 37 CYS SG      51 CYS  SG       4.63        5.00  
 35 CYS SG      38 CYS  SG       4.63        5.00     
 35 CYS SG      51 CYS  SG       4.63        5.00 
 38 CYS SG      51 CYS  SG       4.63        5.00   
 
 38 CYS SG      71 CD  CD        2.82        5.00 
 42 CYS SG      71 CD  CD        2.82        5.00
 45 CYS SG      71 CD  CD        2.82        5.00
 67 CYS SG      71 CD  CD        2.82        5.00
 
 38 CYS CB      71 CD  CD        3.77        5.00 
 42 CYS CB      71 CD  CD        3.77        5.00
 45 CYS CB      71 CD  CD        3.77        5.00
 67 CYS CB      71 CD  CD        3.77        5.00     

 42 CYS SG      38 CYS  SG       4.60        5.00   
 42 CYS SG      45 CYS  SG       4.60        5.00 
 42 CYS SG      67 CYS  SG       4.60        5.00  
 38 CYS SG      45 CYS  SG       4.60        5.00     
 38 CYS SG      67 CYS  SG       4.60        5.00 
 45 CYS SG      67 CYS  SG       4.60        5.00   

 51 CYS SG      72 CD  CD        2.86        5.00 
 64 CYS SG      72 CD  CD        2.86        5.00
 66 CYS SG      72 CD  CD        2.86        5.00
 67 CYS SG      72 CD  CD        2.86        5.00
 
 51 CYS CB      72 CD  CD        3.70        5.00 
 64 CYS CB      72 CD  CD        3.70        5.00
 66 CYS CB      72 CD  CD        3.70        5.00
 67 CYS CB      72 CD  CD        3.70        5.00    
 
 64 CYS SG      51 CYS  SG       4.62        5.00   
 64 CYS SG      66 CYS  SG       4.62        5.00 
 64 CYS SG      67 CYS  SG       4.62        5.00  
 51 CYS SG      66 CYS  SG       4.62        5.00     
 51 CYS SG      67 CYS  SG       4.62        5.00 
 66 CYS SG      67 CYS  SG       4.62        5.00   
                

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LYS  32          1H        LYS  32 -15.999   9.544   8.693
    2    HA   LYS  32           HA       LYS  32 -13.726   9.195  10.371
    3   1HB   LYS  32          2HB       LYS  32 -16.310   7.781   9.940
    4   2HB   LYS  32          1HB       LYS  32 -15.019   6.889  10.733
    5   1HG   LYS  32          2HG       LYS  32 -15.070   8.198  12.601
    6   2HG   LYS  32          1HG       LYS  32 -15.658   9.614  11.727
    7   1HD   LYS  32          2HD       LYS  32 -17.540   9.013  12.906
    8   2HD   LYS  32          1HD       LYS  32 -17.799   8.140  11.393
    9   1HE   LYS  32          2HE       LYS  32 -18.196   6.448  12.865
   10   2HE   LYS  32          1HE       LYS  32 -16.453   6.258  12.684
   11   1HZ   LYS  32          1HZ       LYS  32 -16.093   7.436  14.709
   12   2HZ   LYS  32          2HZ       LYS  32 -17.236   6.229  15.017
   13   3HZ   LYS  32          3HZ       LYS  32 -17.731   7.838  14.847
   14    H    SER  33           H        SER  33 -11.888   8.187   9.931
   15    HA   SER  33           HA       SER  33 -11.863   6.205   7.750
   16   1HB   SER  33          2HB       SER  33  -9.867   8.314   8.529
   17   2HB   SER  33          1HB       SER  33  -9.351   6.876   7.650
   18    HG   SER  33           HG       SER  33 -10.053   8.856   6.423
   19    H    CYS  34           H        CYS  34  -9.650   4.882   7.992
   20    HA   CYS  34           HA       CYS  34  -9.481   3.972  10.788
   21   1HB   CYS  34          2HB       CYS  34  -9.034   1.661   9.689
   22   2HB   CYS  34          1HB       CYS  34 -10.693   2.238   9.810
   23    H    CYS  35           H        CYS  35  -7.774   5.828   9.337
   24    HA   CYS  35           HA       CYS  35  -5.266   4.929  10.156
   25   1HB   CYS  35          2HB       CYS  35  -4.225   4.727   7.820
   26   2HB   CYS  35          1HB       CYS  35  -5.162   3.357   8.406
   27    H    SER  36           H        SER  36  -3.482   6.263   8.732
   28    HA   SER  36           HA       SER  36  -4.567   8.981   8.398
   29   1HB   SER  36          2HB       SER  36  -1.839   8.483   9.567
   30   2HB   SER  36          1HB       SER  36  -2.825   9.942   9.650
   31    HG   SER  36           HG       SER  36  -4.328   8.567  10.907
   32    H    CYS  37           H        CYS  37  -3.803   6.803   6.498
   33    HA   CYS  37           HA       CYS  37  -1.906   8.385   4.900
   34   1HB   CYS  37          2HB       CYS  37  -1.306   5.953   3.987
   35   2HB   CYS  37          1HB       CYS  37  -0.474   6.663   5.366
   36    H    CYS  38           H        CYS  38  -4.964   7.379   5.133
   37    HA   CYS  38           HA       CYS  38  -5.372   7.536   2.253
   38   1HB   CYS  38          2HB       CYS  38  -6.416   5.253   3.943
   39   2HB   CYS  38          1HB       CYS  38  -6.923   5.588   2.290
   40    HA   PRO  39           HA       PRO  39  -8.852   9.966   3.362
   41   1HB   PRO  39          2HB       PRO  39 -10.542   9.453   1.300
   42   2HB   PRO  39          1HB       PRO  39  -9.086  10.442   1.126
   43   1HG   PRO  39          2HG       PRO  39  -9.516   7.563   0.425
   44   2HG   PRO  39          1HG       PRO  39  -8.675   8.824  -0.494
   45   1HD   PRO  39          2HD       PRO  39  -7.360   6.977   0.988
   46   2HD   PRO  39          1HD       PRO  39  -6.750   8.630   0.762
   47    H    ALA  40           H        ALA  40 -11.367   9.801   3.445
   48    HA   ALA  40           HA       ALA  40 -11.984   7.364   4.934
   49   1HB   ALA  40          1HB       ALA  40 -12.685   9.056   6.270
   50   2HB   ALA  40          2HB       ALA  40 -14.160   8.854   5.325
   51   3HB   ALA  40          3HB       ALA  40 -13.020  10.137   4.917
   52    H    GLU  41           H        GLU  41 -11.899   7.589   1.928
   53    HA   GLU  41           HA       GLU  41 -14.491   6.321   1.462
   54   1HB   GLU  41          2HB       GLU  41 -13.364   8.552  -0.235
   55   2HB   GLU  41          1HB       GLU  41 -14.729   7.545  -0.695
   56   1HG   GLU  41          2HG       GLU  41 -14.707   9.170   1.827
   57   2HG   GLU  41          1HG       GLU  41 -15.257   9.817   0.283
   58    H    CYS  42           H        CYS  42 -11.420   5.791   1.555
   59    HA   CYS  42           HA       CYS  42 -10.570   4.968  -0.978
   60   1HB   CYS  42          2HB       CYS  42  -9.165   5.196   1.119
   61   2HB   CYS  42          1HB       CYS  42  -9.809   3.637   1.624
   62    H    GLU  43           H        GLU  43 -10.769   3.103  -2.133
   63    HA   GLU  43           HA       GLU  43 -13.009   1.412  -1.498
   64   1HB   GLU  43          2HB       GLU  43 -12.533   0.338  -3.653
   65   2HB   GLU  43          1HB       GLU  43 -12.607   2.088  -3.806
   66   1HG   GLU  43          2HG       GLU  43 -10.106   2.111  -3.673
   67   2HG   GLU  43          1HG       GLU  43 -10.154   0.352  -3.781
   68    H    LYS  44           H        LYS  44  -9.499   1.079  -1.631
   69    HA   LYS  44           HA       LYS  44  -9.371  -1.700  -1.215
   70   1HB   LYS  44          2HB       LYS  44  -7.470   0.578  -0.846
   71   2HB   LYS  44          1HB       LYS  44  -7.050  -0.995  -0.179
   72   1HG   LYS  44          2HG       LYS  44  -7.939  -0.879  -3.008
   73   2HG   LYS  44          1HG       LYS  44  -6.331  -0.269  -2.612
   74   1HD   LYS  44          2HD       LYS  44  -5.825  -2.463  -3.009
   75   2HD   LYS  44          1HD       LYS  44  -6.182  -2.550  -1.283
   76   1HE   LYS  44          2HE       LYS  44  -8.217  -3.579  -1.621
   77   2HE   LYS  44          1HE       LYS  44  -8.388  -2.937  -3.253
   78   1HZ   LYS  44          1HZ       LYS  44  -7.917  -5.338  -3.197
   79   2HZ   LYS  44          2HZ       LYS  44  -6.426  -5.021  -2.466
   80   3HZ   LYS  44          3HZ       LYS  44  -6.732  -4.466  -4.034
   81    H    CYS  45           H        CYS  45  -9.631   1.011   1.006
   82    HA   CYS  45           HA       CYS  45  -9.457  -0.781   3.309
   83   1HB   CYS  45          2HB       CYS  45  -9.489   2.216   3.007
   84   2HB   CYS  45          1HB       CYS  45  -9.707   1.445   4.575
   85    H    ALA  46           H        ALA  46 -11.740  -0.693   1.364
   86    HA   ALA  46           HA       ALA  46 -13.947   0.378   2.896
   87   1HB   ALA  46          1HB       ALA  46 -15.333  -0.267   1.071
   88   2HB   ALA  46          2HB       ALA  46 -14.090  -1.338   0.425
   89   3HB   ALA  46          3HB       ALA  46 -13.853   0.410   0.392
   90    H    LYS  47           H        LYS  47 -12.715  -2.820   1.984
   91    HA   LYS  47           HA       LYS  47 -14.749  -4.165   3.546
   92   1HB   LYS  47          2HB       LYS  47 -13.708  -4.997   1.343
   93   2HB   LYS  47          1HB       LYS  47 -12.326  -5.465   2.324
   94   1HG   LYS  47          2HG       LYS  47 -13.919  -6.807   3.735
   95   2HG   LYS  47          1HG       LYS  47 -15.144  -6.492   2.504
   96   1HD   LYS  47          2HD       LYS  47 -13.439  -7.434   0.838
   97   2HD   LYS  47          1HD       LYS  47 -12.586  -8.049   2.255
   98   1HE   LYS  47          2HE       LYS  47 -14.752  -9.146   2.934
   99   2HE   LYS  47          1HE       LYS  47 -15.379  -8.710   1.345
  100   1HZ   LYS  47          1HZ       LYS  47 -13.673 -10.865   2.074
  101   2HZ   LYS  47          2HZ       LYS  47 -12.963  -9.922   0.862
  102   3HZ   LYS  47          3HZ       LYS  47 -14.496 -10.596   0.621
  103    H    ASP  48           H        ASP  48 -11.328  -3.392   3.786
  104    HA   ASP  48           HA       ASP  48 -11.315  -3.521   6.599
  105   1HB   ASP  48          2HB       ASP  48 -11.372  -6.011   5.855
  106   2HB   ASP  48          1HB       ASP  48  -9.685  -5.752   5.421
  107    H    CYS  49           H        CYS  49  -9.431  -2.684   7.475
  108    HA   CYS  49           HA       CYS  49  -7.868  -1.050   5.812
  109   1HB   CYS  49          2HB       CYS  49  -8.303  -0.712   8.272
  110   2HB   CYS  49          1HB       CYS  49  -7.127  -1.983   8.590
  111    H    VAL  50           H        VAL  50  -6.706  -2.015   4.232
  112    HA   VAL  50           HA       VAL  50  -5.026  -4.315   4.866
  113    HB   VAL  50           HB       VAL  50  -4.573  -4.418   2.456
  114   1HG1  VAL  50          1HG1      VAL  50  -6.759  -5.265   3.672
  115   2HG1  VAL  50          2HG1      VAL  50  -7.525  -4.095   2.596
  116   3HG1  VAL  50          3HG1      VAL  50  -6.561  -5.411   1.926
  117   1HG2  VAL  50          1HG2      VAL  50  -5.255  -1.737   2.472
  118   2HG2  VAL  50          2HG2      VAL  50  -4.947  -2.730   1.047
  119   3HG2  VAL  50          3HG2      VAL  50  -6.598  -2.511   1.630
  120    H    CYS  51           H        CYS  51  -4.246  -1.959   6.140
  121    HA   CYS  51           HA       CYS  51  -1.774  -1.267   4.688
  122   1HB   CYS  51          2HB       CYS  51  -3.087   0.445   6.797
  123   2HB   CYS  51          1HB       CYS  51  -1.806   0.900   5.677
  124    H    LYS  52           H        LYS  52  -1.524  -3.523   5.988
  125    HA   LYS  52           HA       LYS  52  -0.550  -2.978   8.693
  126   1HB   LYS  52          2HB       LYS  52  -0.505  -5.360   9.010
  127   2HB   LYS  52          1HB       LYS  52  -2.046  -4.932   8.278
  128   1HG   LYS  52          2HG       LYS  52  -0.932  -5.518   6.048
  129   2HG   LYS  52          1HG       LYS  52   0.307  -6.302   7.030
  130   1HD   LYS  52          2HD       LYS  52  -1.165  -7.900   7.838
  131   2HD   LYS  52          1HD       LYS  52  -2.586  -6.910   7.497
  132   1HE   LYS  52          2HE       LYS  52  -0.815  -8.160   5.400
  133   2HE   LYS  52          1HE       LYS  52  -2.334  -8.850   5.970
  134   1HZ   LYS  52          1HZ       LYS  52  -1.887  -6.445   4.339
  135   2HZ   LYS  52          2HZ       LYS  52  -3.271  -6.546   5.306
  136   3HZ   LYS  52          3HZ       LYS  52  -2.989  -7.707   4.107
  137    H    GLY  53           H        GLY  53   0.885  -1.957   6.396
  138   1HA   GLY  53          2HA       GLY  53   3.426  -3.400   6.810
  139   2HA   GLY  53          1HA       GLY  53   2.935  -2.881   5.204
  140    H    GLY  54           H        GLY  54   5.341  -2.058   6.097
  141   1HA   GLY  54          2HA       GLY  54   5.825   0.416   5.589
  142   2HA   GLY  54          1HA       GLY  54   4.930   0.689   7.077
  143    H    GLU  55           H        GLU  55   7.826  -0.798   5.718
  144    HA   GLU  55           HA       GLU  55   8.990  -1.111   8.369
  145   1HB   GLU  55          2HB       GLU  55   9.706  -2.007   5.616
  146   2HB   GLU  55          1HB       GLU  55  10.994  -1.861   6.803
  147   1HG   GLU  55          2HG       GLU  55   9.988  -4.136   6.595
  148   2HG   GLU  55          1HG       GLU  55   9.990  -3.464   8.225
  149    H    ALA  56           H        ALA  56   8.763   1.351   8.513
  150    HA   ALA  56           HA       ALA  56  11.341   2.517   7.735
  151   1HB   ALA  56          1HB       ALA  56   9.867   4.711   7.491
  152   2HB   ALA  56          2HB       ALA  56   8.641   3.527   7.042
  153   3HB   ALA  56          3HB       ALA  56  10.154   3.617   6.139
  154    H    ALA  57           H        ALA  57  12.359   3.134   9.515
  155    HA   ALA  57           HA       ALA  57  10.796   3.808  11.902
  156   1HB   ALA  57          1HB       ALA  57  13.464   3.768  12.639
  157   2HB   ALA  57          2HB       ALA  57  13.332   2.486  11.434
  158   3HB   ALA  57          3HB       ALA  57  12.293   2.467  12.859
  159    H    GLU  58           H        GLU  58  12.958   5.167   9.551
  160    HA   GLU  58           HA       GLU  58  12.724   7.769  10.903
  161   1HB   GLU  58          2HB       GLU  58  14.992   8.341  10.306
  162   2HB   GLU  58          1HB       GLU  58  15.001   6.838  11.219
  163   1HG   GLU  58          2HG       GLU  58  15.011   5.687   8.921
  164   2HG   GLU  58          1HG       GLU  58  15.488   7.267   8.299
  165    H    ALA  59           H        ALA  59  11.253   6.462   8.677
  166    HA   ALA  59           HA       ALA  59  11.722   8.544   6.650
  167   1HB   ALA  59          1HB       ALA  59  12.554   6.610   5.611
  168   2HB   ALA  59          2HB       ALA  59  10.928   6.814   4.960
  169   3HB   ALA  59          3HB       ALA  59  11.232   5.613   6.216
  170    H    GLU  60           H        GLU  60  10.044   9.646   7.927
  171    HA   GLU  60           HA       GLU  60   7.415   8.609   8.133
  172   1HB   GLU  60          2HB       GLU  60   8.606  10.628   9.349
  173   2HB   GLU  60          1HB       GLU  60   7.916  11.552   8.021
  174   1HG   GLU  60          2HG       GLU  60   6.267   9.745   9.758
  175   2HG   GLU  60          1HG       GLU  60   6.565  11.437  10.151
  176    H    ALA  61           H        ALA  61   6.422   7.976   6.303
  177    HA   ALA  61           HA       ALA  61   6.501   9.706   3.947
  178   1HB   ALA  61          1HB       ALA  61   6.463   6.918   4.308
  179   2HB   ALA  61          2HB       ALA  61   6.446   7.814   2.789
  180   3HB   ALA  61          3HB       ALA  61   4.926   7.348   3.555
  181    H    GLU  62           H        GLU  62   4.459  10.049   2.742
  182    HA   GLU  62           HA       GLU  62   2.204  10.443   4.598
  183   1HB   GLU  62          2HB       GLU  62   3.013  12.116   2.213
  184   2HB   GLU  62          1HB       GLU  62   1.556  12.365   3.166
  185   1HG   GLU  62          2HG       GLU  62   3.277  12.495   5.149
  186   2HG   GLU  62          1HG       GLU  62   4.391  12.920   3.852
  187    H    LYS  63           H        LYS  63   2.811   8.115   2.896
  188    HA   LYS  63           HA       LYS  63   0.200   7.735   1.817
  189   1HB   LYS  63          2HB       LYS  63   0.615   7.658  -0.477
  190   2HB   LYS  63          1HB       LYS  63   1.506   9.084   0.040
  191   1HG   LYS  63          2HG       LYS  63   2.691   6.357  -0.436
  192   2HG   LYS  63          1HG       LYS  63   2.785   7.732  -1.538
  193   1HD   LYS  63          2HD       LYS  63   3.830   8.971   0.479
  194   2HD   LYS  63          1HD       LYS  63   4.095   7.352   1.131
  195   1HE   LYS  63          2HE       LYS  63   5.573   6.777  -0.557
  196   2HE   LYS  63          1HE       LYS  63   4.948   8.001  -1.660
  197   1HZ   LYS  63          1HZ       LYS  63   6.227   8.895   0.818
  198   2HZ   LYS  63          2HZ       LYS  63   6.191   9.632  -0.704
  199   3HZ   LYS  63          3HZ       LYS  63   7.220   8.319  -0.425
  200    H    CYS  64           H        CYS  64   0.084   5.557   0.642
  201    HA   CYS  64           HA       CYS  64   2.053   3.691   1.790
  202   1HB   CYS  64          2HB       CYS  64   0.016   2.084   1.908
  203   2HB   CYS  64          1HB       CYS  64   0.206   3.308   3.160
  204    H    SER  65           H        SER  65   2.461   1.791   0.605
  205    HA   SER  65           HA       SER  65   2.255   2.133  -2.236
  206   1HB   SER  65          2HB       SER  65   3.323  -0.206  -0.635
  207   2HB   SER  65          1HB       SER  65   3.551   0.048  -2.365
  208    HG   SER  65           HG       SER  65   4.774   1.285  -0.208
  209    H    CYS  66           H        CYS  66   1.059  -0.311   0.062
  210    HA   CYS  66           HA       CYS  66  -0.274  -2.024  -1.559
  211   1HB   CYS  66          2HB       CYS  66  -2.099  -1.902   0.397
  212   2HB   CYS  66          1HB       CYS  66  -0.525  -2.661   0.619
  213    H    CYS  67           H        CYS  67  -1.285   1.225  -0.679
  214    HA   CYS  67           HA       CYS  67  -3.504   0.986  -2.604
  215   1HB   CYS  67          2HB       CYS  67  -3.419   2.734  -0.137
  216   2HB   CYS  67          1HB       CYS  67  -4.757   2.609  -1.275
  217    H    GLN  68           H        GLN  68  -1.697   1.630  -4.090
  218    HA   GLN  68           HA       GLN  68  -1.664   4.548  -4.312
  219   1HB   GLN  68          2HB       GLN  68   0.451   4.101  -3.293
  220   2HB   GLN  68          1HB       GLN  68   0.763   2.757  -4.384
  221   1HG   GLN  68          2HG       GLN  68   2.066   4.785  -4.912
  222   2HG   GLN  68          1HG       GLN  68   1.038   4.245  -6.237
  223   1HE2  GLN  68          1HE2      GLN  68  -0.571   5.546  -6.967
  224   2HE2  GLN  68          2HE2      GLN  68  -0.845   7.151  -6.393
  Start of MODEL    2
    1   1H    LYS  32          1H        LYS  32 -16.169   7.871  10.208
    2    HA   LYS  32           HA       LYS  32 -13.634   9.159  10.615
    3   1HB   LYS  32          2HB       LYS  32 -14.808   6.721  11.966
    4   2HB   LYS  32          1HB       LYS  32 -13.404   7.626  12.517
    5   1HG   LYS  32          2HG       LYS  32 -15.954   9.099  12.150
    6   2HG   LYS  32          1HG       LYS  32 -15.805   8.018  13.536
    7   1HD   LYS  32          2HD       LYS  32 -14.957   9.897  14.491
    8   2HD   LYS  32          1HD       LYS  32 -13.470   9.295  13.754
    9   1HE   LYS  32          2HE       LYS  32 -13.432  11.454  13.007
   10   2HE   LYS  32          1HE       LYS  32 -14.334  10.699  11.695
   11   1HZ   LYS  32          1HZ       LYS  32 -16.370  11.475  12.608
   12   2HZ   LYS  32          2HZ       LYS  32 -15.316  12.797  12.553
   13   3HZ   LYS  32          3HZ       LYS  32 -15.617  12.017  14.024
   14    H    SER  33           H        SER  33 -11.837   8.664   9.564
   15    HA   SER  33           HA       SER  33 -11.579   6.446   7.847
   16   1HB   SER  33          2HB       SER  33  -9.405   7.230   7.383
   17   2HB   SER  33          1HB       SER  33 -10.310   8.688   7.794
   18    HG   SER  33           HG       SER  33  -9.269   8.828   9.681
   19    H    CYS  34           H        CYS  34  -9.506   5.008   8.056
   20    HA   CYS  34           HA       CYS  34  -9.386   3.930  10.796
   21   1HB   CYS  34          2HB       CYS  34  -9.063   1.665   9.580
   22   2HB   CYS  34          1HB       CYS  34 -10.690   2.326   9.707
   23    H    CYS  35           H        CYS  35  -7.594   5.775   9.394
   24    HA   CYS  35           HA       CYS  35  -5.130   4.738  10.185
   25   1HB   CYS  35          2HB       CYS  35  -4.084   4.522   7.870
   26   2HB   CYS  35          1HB       CYS  35  -5.136   3.206   8.382
   27    H    SER  36           H        SER  36  -3.288   6.024   8.782
   28    HA   SER  36           HA       SER  36  -4.245   8.793   8.501
   29   1HB   SER  36          2HB       SER  36  -1.615   8.048   9.791
   30   2HB   SER  36          1HB       SER  36  -2.371   9.641   9.728
   31    HG   SER  36           HG       SER  36  -3.834   9.023  11.214
   32    H    CYS  37           H        CYS  37  -3.530   6.613   6.579
   33    HA   CYS  37           HA       CYS  37  -1.533   8.140   5.050
   34   1HB   CYS  37          2HB       CYS  37  -1.022   5.704   4.100
   35   2HB   CYS  37          1HB       CYS  37  -0.194   6.343   5.516
   36    H    CYS  38           H        CYS  38  -4.638   7.261   5.202
   37    HA   CYS  38           HA       CYS  38  -4.979   7.503   2.318
   38   1HB   CYS  38          2HB       CYS  38  -6.144   5.223   3.930
   39   2HB   CYS  38          1HB       CYS  38  -6.612   5.620   2.280
   40    HA   PRO  39           HA       PRO  39  -8.385  10.043   3.417
   41   1HB   PRO  39          2HB       PRO  39 -10.056   9.639   1.316
   42   2HB   PRO  39          1HB       PRO  39  -8.561  10.573   1.188
   43   1HG   PRO  39          2HG       PRO  39  -9.090   7.728   0.419
   44   2HG   PRO  39          1HG       PRO  39  -8.183   8.974  -0.458
   45   1HD   PRO  39          2HD       PRO  39  -6.968   7.046   1.006
   46   2HD   PRO  39          1HD       PRO  39  -6.291   8.677   0.824
   47    H    ALA  40           H        ALA  40 -10.909   9.972   3.443
   48    HA   ALA  40           HA       ALA  40 -11.646   7.535   4.875
   49   1HB   ALA  40          1HB       ALA  40 -13.602   9.718   4.750
   50   2HB   ALA  40          2HB       ALA  40 -13.001   8.806   6.135
   51   3HB   ALA  40          3HB       ALA  40 -12.057  10.148   5.486
   52    H    GLU  41           H        GLU  41 -11.489   7.796   1.880
   53    HA   GLU  41           HA       GLU  41 -14.115   6.632   1.341
   54   1HB   GLU  41          2HB       GLU  41 -14.265   7.911  -0.801
   55   2HB   GLU  41          1HB       GLU  41 -14.434   8.904   0.641
   56   1HG   GLU  41          2HG       GLU  41 -11.998   9.470   0.409
   57   2HG   GLU  41          1HG       GLU  41 -12.043   8.673  -1.162
   58    H    CYS  42           H        CYS  42 -11.072   5.991   1.481
   59    HA   CYS  42           HA       CYS  42 -10.190   5.205  -1.052
   60   1HB   CYS  42          2HB       CYS  42  -8.807   5.320   1.048
   61   2HB   CYS  42          1HB       CYS  42  -9.556   3.809   1.552
   62    H    GLU  43           H        GLU  43 -10.219   3.224  -2.139
   63    HA   GLU  43           HA       GLU  43 -12.628   1.680  -1.716
   64   1HB   GLU  43          2HB       GLU  43 -10.496   1.678  -3.842
   65   2HB   GLU  43          1HB       GLU  43 -11.749   0.448  -3.789
   66   1HG   GLU  43          2HG       GLU  43 -12.417   2.135  -5.330
   67   2HG   GLU  43          1HG       GLU  43 -13.449   2.249  -3.907
   68    H    LYS  44           H        LYS  44  -9.131   1.066  -1.765
   69    HA   LYS  44           HA       LYS  44  -9.209  -1.672  -1.229
   70   1HB   LYS  44          2HB       LYS  44  -7.132   0.393  -0.480
   71   2HB   LYS  44          1HB       LYS  44  -6.892  -1.343  -0.336
   72   1HG   LYS  44          2HG       LYS  44  -7.449   0.142  -2.896
   73   2HG   LYS  44          1HG       LYS  44  -5.873  -0.448  -2.363
   74   1HD   LYS  44          2HD       LYS  44  -8.299  -2.150  -2.938
   75   2HD   LYS  44          1HD       LYS  44  -6.890  -1.969  -3.986
   76   1HE   LYS  44          2HE       LYS  44  -6.922  -3.143  -1.208
   77   2HE   LYS  44          1HE       LYS  44  -6.746  -4.036  -2.718
   78   1HZ   LYS  44          1HZ       LYS  44  -4.825  -2.188  -1.443
   79   2HZ   LYS  44          2HZ       LYS  44  -4.710  -2.579  -3.084
   80   3HZ   LYS  44          3HZ       LYS  44  -4.588  -3.795  -1.914
   81    H    CYS  45           H        CYS  45  -9.456   1.095   0.909
   82    HA   CYS  45           HA       CYS  45  -9.474  -0.640   3.262
   83   1HB   CYS  45          2HB       CYS  45  -9.397   2.355   2.912
   84   2HB   CYS  45          1HB       CYS  45  -9.654   1.596   4.480
   85    H    ALA  46           H        ALA  46 -11.643  -0.630   1.259
   86    HA   ALA  46           HA       ALA  46 -13.883   0.637   2.591
   87   1HB   ALA  46          1HB       ALA  46 -13.757   0.576   0.137
   88   2HB   ALA  46          2HB       ALA  46 -13.860  -1.185   0.188
   89   3HB   ALA  46          3HB       ALA  46 -15.215  -0.205   0.750
   90    H    LYS  47           H        LYS  47 -12.865  -2.685   1.820
   91    HA   LYS  47           HA       LYS  47 -14.969  -3.821   3.436
   92   1HB   LYS  47          2HB       LYS  47 -12.782  -4.888   1.710
   93   2HB   LYS  47          1HB       LYS  47 -13.474  -5.952   2.928
   94   1HG   LYS  47          2HG       LYS  47 -15.170  -4.481   0.937
   95   2HG   LYS  47          1HG       LYS  47 -14.466  -6.064   0.599
   96   1HD   LYS  47          2HD       LYS  47 -15.558  -6.757   2.843
   97   2HD   LYS  47          1HD       LYS  47 -16.541  -5.308   2.625
   98   1HE   LYS  47          2HE       LYS  47 -17.847  -6.918   1.616
   99   2HE   LYS  47          1HE       LYS  47 -16.947  -6.277   0.242
  100   1HZ   LYS  47          1HZ       LYS  47 -15.791  -8.544   1.680
  101   2HZ   LYS  47          2HZ       LYS  47 -15.735  -8.168   0.032
  102   3HZ   LYS  47          3HZ       LYS  47 -17.134  -8.848   0.698
  103    H    ASP  48           H        ASP  48 -11.528  -3.196   3.726
  104    HA   ASP  48           HA       ASP  48 -11.584  -3.212   6.542
  105   1HB   ASP  48          2HB       ASP  48 -11.750  -5.589   6.459
  106   2HB   ASP  48          1HB       ASP  48 -10.509  -5.699   5.214
  107    H    CYS  49           H        CYS  49  -9.606  -2.563   7.465
  108    HA   CYS  49           HA       CYS  49  -7.970  -0.992   5.788
  109   1HB   CYS  49          2HB       CYS  49  -8.411  -0.591   8.234
  110   2HB   CYS  49          1HB       CYS  49  -7.311  -1.920   8.586
  111    H    VAL  50           H        VAL  50  -6.865  -2.059   4.226
  112    HA   VAL  50           HA       VAL  50  -5.290  -4.415   4.924
  113    HB   VAL  50           HB       VAL  50  -4.848  -4.614   2.523
  114   1HG1  VAL  50          1HG1      VAL  50  -6.941  -5.414   1.935
  115   2HG1  VAL  50          2HG1      VAL  50  -7.025  -5.389   3.698
  116   3HG1  VAL  50          3HG1      VAL  50  -7.786  -4.103   2.759
  117   1HG2  VAL  50          1HG2      VAL  50  -6.746  -2.635   1.606
  118   2HG2  VAL  50          2HG2      VAL  50  -5.398  -1.891   2.466
  119   3HG2  VAL  50          3HG2      VAL  50  -5.091  -2.935   1.079
  120    H    CYS  51           H        CYS  51  -4.403  -2.066   6.137
  121    HA   CYS  51           HA       CYS  51  -1.935  -1.463   4.643
  122   1HB   CYS  51          2HB       CYS  51  -3.066   0.223   6.871
  123   2HB   CYS  51          1HB       CYS  51  -1.860   0.672   5.670
  124    H    LYS  52           H        LYS  52  -1.027  -3.442   5.507
  125    HA   LYS  52           HA       LYS  52  -0.690  -3.815   8.311
  126   1HB   LYS  52          2HB       LYS  52   0.368  -5.104   5.839
  127   2HB   LYS  52          1HB       LYS  52   1.222  -5.389   7.350
  128   1HG   LYS  52          2HG       LYS  52  -0.269  -7.166   7.194
  129   2HG   LYS  52          1HG       LYS  52  -1.060  -6.044   8.302
  130   1HD   LYS  52          2HD       LYS  52  -1.662  -5.755   5.413
  131   2HD   LYS  52          1HD       LYS  52  -2.330  -7.163   6.242
  132   1HE   LYS  52          2HE       LYS  52  -2.608  -4.499   7.535
  133   2HE   LYS  52          1HE       LYS  52  -3.624  -4.856   6.140
  134   1HZ   LYS  52          1HZ       LYS  52  -4.784  -5.477   8.114
  135   2HZ   LYS  52          2HZ       LYS  52  -3.477  -6.393   8.674
  136   3HZ   LYS  52          3HZ       LYS  52  -4.340  -6.897   7.310
  137    H    GLY  53           H        GLY  53   0.933  -3.211   9.649
  138   1HA   GLY  53          2HA       GLY  53   2.532  -1.000   9.020
  139   2HA   GLY  53          1HA       GLY  53   2.756  -2.047  10.413
  140    H    GLY  54           H        GLY  54   4.244  -0.861   7.738
  141   1HA   GLY  54          2HA       GLY  54   5.957  -3.249   7.449
  142   2HA   GLY  54          1HA       GLY  54   5.723  -2.039   6.194
  143    H    GLU  55           H        GLU  55   7.919  -1.612   5.975
  144    HA   GLU  55           HA       GLU  55   9.594  -0.958   8.179
  145   1HB   GLU  55          2HB       GLU  55  10.473  -1.816   6.043
  146   2HB   GLU  55          1HB       GLU  55   9.954  -0.341   5.241
  147   1HG   GLU  55          2HG       GLU  55  11.451   0.841   6.993
  148   2HG   GLU  55          1HG       GLU  55  12.184  -0.751   7.183
  149    H    ALA  56           H        ALA  56   9.906   0.920   9.196
  150    HA   ALA  56           HA       ALA  56   9.303   3.446   7.921
  151   1HB   ALA  56          1HB       ALA  56   7.932   3.801  10.283
  152   2HB   ALA  56          2HB       ALA  56   7.213   3.571   8.690
  153   3HB   ALA  56          3HB       ALA  56   7.437   2.190   9.763
  154    H    ALA  57           H        ALA  57  10.721   4.931   8.573
  155    HA   ALA  57           HA       ALA  57  12.308   4.365  10.981
  156   1HB   ALA  57          1HB       ALA  57  12.906   5.605   8.371
  157   2HB   ALA  57          2HB       ALA  57  13.699   6.320   9.775
  158   3HB   ALA  57          3HB       ALA  57  13.918   4.606   9.416
  159    H    GLU  58           H        GLU  58  10.307   6.788   9.427
  160    HA   GLU  58           HA       GLU  58  10.355   8.338  11.929
  161   1HB   GLU  58          2HB       GLU  58  10.349   9.428   9.110
  162   2HB   GLU  58          1HB       GLU  58  10.086  10.401  10.550
  163   1HG   GLU  58          2HG       GLU  58  12.340   9.646  11.351
  164   2HG   GLU  58          1HG       GLU  58  12.585   8.933   9.758
  165    H    ALA  59           H        ALA  59   8.546   6.439  10.039
  166    HA   ALA  59           HA       ALA  59   6.319   6.133   9.655
  167   1HB   ALA  59          1HB       ALA  59   6.664   6.521  12.304
  168   2HB   ALA  59          2HB       ALA  59   5.494   7.789  11.944
  169   3HB   ALA  59          3HB       ALA  59   5.119   6.109  11.560
  170    H    GLU  60           H        GLU  60   7.564   8.485   8.440
  171    HA   GLU  60           HA       GLU  60   5.122  10.073   8.034
  172   1HB   GLU  60          2HB       GLU  60   6.582  11.437   9.383
  173   2HB   GLU  60          1HB       GLU  60   7.943  11.111   8.320
  174   1HG   GLU  60          2HG       GLU  60   6.987  12.400   6.567
  175   2HG   GLU  60          1HG       GLU  60   5.459  12.549   7.433
  176    H    ALA  61           H        ALA  61   4.627   8.978   6.141
  177    HA   ALA  61           HA       ALA  61   6.458   9.504   3.893
  178   1HB   ALA  61          1HB       ALA  61   6.670   7.195   4.203
  179   2HB   ALA  61          2HB       ALA  61   4.950   6.989   4.533
  180   3HB   ALA  61          3HB       ALA  61   5.496   7.356   2.897
  181    H    GLU  62           H        GLU  62   3.129   9.046   4.968
  182    HA   GLU  62           HA       GLU  62   1.130   9.719   4.112
  183   1HB   GLU  62          2HB       GLU  62   2.855  11.843   2.826
  184   2HB   GLU  62          1HB       GLU  62   1.104  11.905   2.970
  185   1HG   GLU  62          2HG       GLU  62   1.165  12.297   5.235
  186   2HG   GLU  62          1HG       GLU  62   2.766  11.582   5.423
  187    H    LYS  63           H        LYS  63   2.821   7.821   2.574
  188    HA   LYS  63           HA       LYS  63   1.391   8.075   0.023
  189   1HB   LYS  63          2HB       LYS  63   3.987   8.692   0.085
  190   2HB   LYS  63          1HB       LYS  63   4.145   6.945  -0.047
  191   1HG   LYS  63          2HG       LYS  63   4.193   7.623  -2.250
  192   2HG   LYS  63          1HG       LYS  63   2.498   7.182  -2.025
  193   1HD   LYS  63          2HD       LYS  63   2.228   9.212  -3.035
  194   2HD   LYS  63          1HD       LYS  63   2.303   9.735  -1.351
  195   1HE   LYS  63          2HE       LYS  63   4.862   9.511  -2.832
  196   2HE   LYS  63          1HE       LYS  63   3.789  10.841  -3.265
  197   1HZ   LYS  63          1HZ       LYS  63   4.642  11.917  -1.541
  198   2HZ   LYS  63          2HZ       LYS  63   5.448  10.542  -0.973
  199   3HZ   LYS  63          3HZ       LYS  63   3.843  10.828  -0.522
  200    H    CYS  64           H        CYS  64  -0.067   6.488   0.616
  201    HA   CYS  64           HA       CYS  64   0.440   4.080   1.868
  202   1HB   CYS  64          2HB       CYS  64  -1.699   5.204   0.242
  203   2HB   CYS  64          1HB       CYS  64  -1.547   3.464   0.028
  204    H    SER  65           H        SER  65   1.920   2.620   1.339
  205    HA   SER  65           HA       SER  65   2.590   2.168  -1.466
  206   1HB   SER  65          2HB       SER  65   4.436   0.755  -0.503
  207   2HB   SER  65          1HB       SER  65   4.487   2.448  -0.013
  208    HG   SER  65           HG       SER  65   4.498   0.389   1.565
  209    H    CYS  66           H        CYS  66   0.108   1.195   0.061
  210    HA   CYS  66           HA       CYS  66   0.264  -1.566  -0.922
  211   1HB   CYS  66          2HB       CYS  66  -1.396  -1.950   1.146
  212   2HB   CYS  66          1HB       CYS  66   0.347  -2.157   1.279
  213    H    CYS  67           H        CYS  67  -1.070   1.273  -1.419
  214    HA   CYS  67           HA       CYS  67  -3.534   0.118  -2.463
  215   1HB   CYS  67          2HB       CYS  67  -3.499   2.536  -0.644
  216   2HB   CYS  67          1HB       CYS  67  -4.900   1.974  -1.551
  217    H    GLN  68           H        GLN  68  -1.408   0.758  -3.985
  218    HA   GLN  68           HA       GLN  68  -1.144   3.357  -4.913
  219   1HB   GLN  68          2HB       GLN  68  -0.241   2.384  -6.962
  220   2HB   GLN  68          1HB       GLN  68   0.368   1.534  -5.549
  221   1HG   GLN  68          2HG       GLN  68  -2.058   0.458  -6.869
  222   2HG   GLN  68          1HG       GLN  68  -0.510   0.262  -7.690
  223   1HE2  GLN  68          1HE2      GLN  68  -1.061  -2.032  -7.330
  224   2HE2  GLN  68          2HE2      GLN  68  -0.580  -2.760  -5.840
  Start of MODEL    3
    1   1H    LYS  32          1H        LYS  32 -16.144   8.082   9.621
    2    HA   LYS  32           HA       LYS  32 -13.637   9.099  10.494
    3   1HB   LYS  32          2HB       LYS  32 -15.405   6.824  11.285
    4   2HB   LYS  32          1HB       LYS  32 -13.747   6.848  11.872
    5   1HG   LYS  32          2HG       LYS  32 -14.099   8.647  13.221
    6   2HG   LYS  32          1HG       LYS  32 -15.363   9.316  12.187
    7   1HD   LYS  32          2HD       LYS  32 -16.422   8.562  14.177
    8   2HD   LYS  32          1HD       LYS  32 -16.823   7.399  12.912
    9   1HE   LYS  32          2HE       LYS  32 -14.413   6.887  14.574
   10   2HE   LYS  32          1HE       LYS  32 -15.995   6.636  15.311
   11   1HZ   LYS  32          1HZ       LYS  32 -15.582   4.591  14.407
   12   2HZ   LYS  32          2HZ       LYS  32 -14.742   5.206  13.074
   13   3HZ   LYS  32          3HZ       LYS  32 -16.430   5.311  13.133
   14    H    SER  33           H        SER  33 -11.653   8.597   9.842
   15    HA   SER  33           HA       SER  33 -11.275   6.552   7.839
   16   1HB   SER  33          2HB       SER  33  -9.036   7.428   7.617
   17   2HB   SER  33          1HB       SER  33 -10.148   8.791   7.736
   18    HG   SER  33           HG       SER  33  -8.765   9.369   9.235
   19    H    CYS  34           H        CYS  34  -9.264   5.132   8.048
   20    HA   CYS  34           HA       CYS  34  -9.051   4.077  10.789
   21   1HB   CYS  34          2HB       CYS  34  -8.750   1.804   9.577
   22   2HB   CYS  34          1HB       CYS  34 -10.376   2.452   9.765
   23    H    CYS  35           H        CYS  35  -7.323   5.917   9.281
   24    HA   CYS  35           HA       CYS  35  -4.826   4.917  10.017
   25   1HB   CYS  35          2HB       CYS  35  -3.853   4.653   7.676
   26   2HB   CYS  35          1HB       CYS  35  -4.883   3.345   8.247
   27    H    SER  36           H        SER  36  -3.042   6.185   8.522
   28    HA   SER  36           HA       SER  36  -4.030   8.940   8.213
   29   1HB   SER  36          2HB       SER  36  -2.644   8.323  10.377
   30   2HB   SER  36          1HB       SER  36  -1.275   8.469   9.277
   31    HG   SER  36           HG       SER  36  -1.926  10.440  10.405
   32    H    CYS  37           H        CYS  37  -3.356   6.717   6.322
   33    HA   CYS  37           HA       CYS  37  -1.426   8.226   4.692
   34   1HB   CYS  37          2HB       CYS  37  -0.933   5.769   3.778
   35   2HB   CYS  37          1HB       CYS  37  -0.057   6.450   5.146
   36    H    CYS  38           H        CYS  38  -4.517   7.295   4.969
   37    HA   CYS  38           HA       CYS  38  -4.959   7.492   2.095
   38   1HB   CYS  38          2HB       CYS  38  -6.073   5.233   3.774
   39   2HB   CYS  38          1HB       CYS  38  -6.539   5.584   2.112
   40    HA   PRO  39           HA       PRO  39  -8.357  10.008   3.276
   41   1HB   PRO  39          2HB       PRO  39 -10.081   9.567   1.225
   42   2HB   PRO  39          1HB       PRO  39  -8.602  10.516   1.048
   43   1HG   PRO  39          2HG       PRO  39  -9.118   7.660   0.317
   44   2HG   PRO  39          1HG       PRO  39  -8.251   8.910  -0.596
   45   1HD   PRO  39          2HD       PRO  39  -6.973   7.009   0.849
   46   2HD   PRO  39          1HD       PRO  39  -6.320   8.646   0.635
   47    H    ALA  40           H        ALA  40 -10.887   9.900   3.351
   48    HA   ALA  40           HA       ALA  40 -11.550   7.474   4.837
   49   1HB   ALA  40          1HB       ALA  40 -11.919   9.704   5.863
   50   2HB   ALA  40          2HB       ALA  40 -13.379   8.718   5.772
   51   3HB   ALA  40          3HB       ALA  40 -13.129  10.032   4.622
   52    H    GLU  41           H        GLU  41 -11.473   7.716   1.829
   53    HA   GLU  41           HA       GLU  41 -14.124   6.555   1.368
   54   1HB   GLU  41          2HB       GLU  41 -14.443   7.770  -0.681
   55   2HB   GLU  41          1HB       GLU  41 -14.140   8.929   0.605
   56   1HG   GLU  41          2HG       GLU  41 -11.658   8.709  -0.227
   57   2HG   GLU  41          1HG       GLU  41 -12.442   8.178  -1.714
   58    H    CYS  42           H        CYS  42 -11.043   5.906   1.485
   59    HA   CYS  42           HA       CYS  42 -10.317   4.884  -1.032
   60   1HB   CYS  42          2HB       CYS  42  -8.802   5.278   0.967
   61   2HB   CYS  42          1HB       CYS  42  -9.426   3.769   1.629
   62    H    GLU  43           H        GLU  43 -10.788   3.046  -2.081
   63    HA   GLU  43           HA       GLU  43 -12.914   1.393  -1.094
   64   1HB   GLU  43          2HB       GLU  43 -11.217   1.238  -3.588
   65   2HB   GLU  43          1HB       GLU  43 -12.540   0.134  -3.241
   66   1HG   GLU  43          2HG       GLU  43 -12.937   3.104  -3.326
   67   2HG   GLU  43          1HG       GLU  43 -13.015   2.105  -4.777
   68    H    LYS  44           H        LYS  44  -9.455   0.952  -1.716
   69    HA   LYS  44           HA       LYS  44  -9.267  -1.773  -1.168
   70   1HB   LYS  44          2HB       LYS  44  -7.353   0.521  -1.015
   71   2HB   LYS  44          1HB       LYS  44  -6.868  -1.039  -0.363
   72   1HG   LYS  44          2HG       LYS  44  -8.005  -0.962  -3.106
   73   2HG   LYS  44          1HG       LYS  44  -6.365  -0.358  -2.858
   74   1HD   LYS  44          2HD       LYS  44  -5.988  -2.590  -3.327
   75   2HD   LYS  44          1HD       LYS  44  -6.025  -2.589  -1.562
   76   1HE   LYS  44          2HE       LYS  44  -8.153  -3.538  -1.487
   77   2HE   LYS  44          1HE       LYS  44  -8.514  -3.089  -3.153
   78   1HZ   LYS  44          1HZ       LYS  44  -7.334  -5.469  -2.161
   79   2HZ   LYS  44          2HZ       LYS  44  -6.306  -4.730  -3.282
   80   3HZ   LYS  44          3HZ       LYS  44  -7.892  -5.124  -3.720
   81    H    CYS  45           H        CYS  45  -9.685   0.924   0.963
   82    HA   CYS  45           HA       CYS  45  -9.142  -0.756   3.308
   83   1HB   CYS  45          2HB       CYS  45  -9.301   2.209   2.872
   84   2HB   CYS  45          1HB       CYS  45  -9.518   1.544   4.487
   85    H    ALA  46           H        ALA  46 -11.682   0.283   1.387
   86    HA   ALA  46           HA       ALA  46 -13.753   0.890   3.101
   87   1HB   ALA  46          1HB       ALA  46 -15.259   0.121   1.380
   88   2HB   ALA  46          2HB       ALA  46 -13.973  -0.822   0.628
   89   3HB   ALA  46          3HB       ALA  46 -13.887   0.941   0.634
   90    H    LYS  47           H        LYS  47 -13.046  -2.375   1.834
   91    HA   LYS  47           HA       LYS  47 -14.829  -3.704   3.561
   92   1HB   LYS  47          2HB       LYS  47 -12.423  -4.665   2.013
   93   2HB   LYS  47          1HB       LYS  47 -13.450  -5.748   2.943
   94   1HG   LYS  47          2HG       LYS  47 -14.697  -3.953   0.921
   95   2HG   LYS  47          1HG       LYS  47 -13.842  -5.400   0.386
   96   1HD   LYS  47          2HD       LYS  47 -15.878  -5.580   2.571
   97   2HD   LYS  47          1HD       LYS  47 -16.393  -5.522   0.884
   98   1HE   LYS  47          2HE       LYS  47 -15.355  -7.539   0.369
   99   2HE   LYS  47          1HE       LYS  47 -14.288  -7.459   1.771
  100   1HZ   LYS  47          1HZ       LYS  47 -16.766  -7.507   2.870
  101   2HZ   LYS  47          2HZ       LYS  47 -15.738  -8.841   2.713
  102   3HZ   LYS  47          3HZ       LYS  47 -16.932  -8.552   1.550
  103    H    ASP  48           H        ASP  48 -11.321  -3.184   3.755
  104    HA   ASP  48           HA       ASP  48 -11.362  -3.107   6.598
  105   1HB   ASP  48          2HB       ASP  48 -10.692  -5.661   5.249
  106   2HB   ASP  48          1HB       ASP  48  -9.615  -5.160   6.550
  107    H    CYS  49           H        CYS  49  -9.364  -2.470   7.493
  108    HA   CYS  49           HA       CYS  49  -7.751  -0.903   5.780
  109   1HB   CYS  49          2HB       CYS  49  -8.174  -0.475   8.227
  110   2HB   CYS  49          1HB       CYS  49  -7.064  -1.793   8.585
  111    H    VAL  50           H        VAL  50  -6.667  -2.000   4.221
  112    HA   VAL  50           HA       VAL  50  -5.080  -4.341   4.942
  113    HB   VAL  50           HB       VAL  50  -4.644  -4.549   2.526
  114   1HG1  VAL  50          1HG1      VAL  50  -7.589  -4.136   2.745
  115   2HG1  VAL  50          2HG1      VAL  50  -6.689  -5.474   2.030
  116   3HG1  VAL  50          3HG1      VAL  50  -6.810  -5.328   3.784
  117   1HG2  VAL  50          1HG2      VAL  50  -5.134  -1.879   2.395
  118   2HG2  VAL  50          2HG2      VAL  50  -5.105  -2.961   1.003
  119   3HG2  VAL  50          3HG2      VAL  50  -6.641  -2.540   1.761
  120    H    CYS  51           H        CYS  51  -4.184  -1.971   6.108
  121    HA   CYS  51           HA       CYS  51  -1.727  -1.399   4.586
  122   1HB   CYS  51          2HB       CYS  51  -2.811   0.348   6.783
  123   2HB   CYS  51          1HB       CYS  51  -1.659   0.765   5.520
  124    H    LYS  52           H        LYS  52  -1.676  -3.705   5.961
  125    HA   LYS  52           HA       LYS  52  -0.530  -3.221   8.594
  126   1HB   LYS  52          2HB       LYS  52  -1.336  -5.677   7.068
  127   2HB   LYS  52          1HB       LYS  52  -0.285  -5.810   8.472
  128   1HG   LYS  52          2HG       LYS  52  -2.862  -4.315   8.674
  129   2HG   LYS  52          1HG       LYS  52  -2.846  -6.079   8.749
  130   1HD   LYS  52          2HD       LYS  52  -1.297  -6.003  10.625
  131   2HD   LYS  52          1HD       LYS  52  -1.245  -4.240  10.530
  132   1HE   LYS  52          2HE       LYS  52  -3.626  -4.136  11.048
  133   2HE   LYS  52          1HE       LYS  52  -3.702  -5.896  11.107
  134   1HZ   LYS  52          1HZ       LYS  52  -2.996  -5.878  13.193
  135   2HZ   LYS  52          2HZ       LYS  52  -3.143  -4.193  13.196
  136   3HZ   LYS  52          3HZ       LYS  52  -1.660  -4.912  12.816
  137    H    GLY  53           H        GLY  53   1.521  -4.422   9.149
  138   1HA   GLY  53          2HA       GLY  53   3.685  -5.148   8.621
  139   2HA   GLY  53          1HA       GLY  53   3.372  -4.782   6.931
  140    H    GLY  54           H        GLY  54   5.298  -3.954   9.378
  141   1HA   GLY  54          2HA       GLY  54   6.637  -1.893   8.369
  142   2HA   GLY  54          1HA       GLY  54   5.219  -1.065   8.996
  143    H    GLU  55           H        GLU  55   8.057  -2.947   9.845
  144    HA   GLU  55           HA       GLU  55   7.715  -2.115  12.649
  145   1HB   GLU  55          2HB       GLU  55   7.806  -4.551  12.312
  146   2HB   GLU  55          1HB       GLU  55   9.367  -4.383  11.524
  147   1HG   GLU  55          2HG       GLU  55   9.515  -5.138  13.868
  148   2HG   GLU  55          1HG       GLU  55  10.388  -3.639  13.554
  149    H    ALA  56           H        ALA  56   9.980  -2.294   9.957
  150    HA   ALA  56           HA       ALA  56  12.003  -0.832  11.465
  151   1HB   ALA  56          1HB       ALA  56  12.537  -2.796   9.952
  152   2HB   ALA  56          2HB       ALA  56  13.510  -1.341   9.726
  153   3HB   ALA  56          3HB       ALA  56  12.205  -1.714   8.598
  154    H    ALA  57           H        ALA  57   9.714   0.658  11.108
  155    HA   ALA  57           HA       ALA  57  10.589   2.665   9.135
  156   1HB   ALA  57          1HB       ALA  57   8.178   1.271   9.124
  157   2HB   ALA  57          2HB       ALA  57   8.578   2.713   8.190
  158   3HB   ALA  57          3HB       ALA  57   7.778   2.869   9.756
  159    H    GLU  58           H        GLU  58  11.221   4.495  10.053
  160    HA   GLU  58           HA       GLU  58   9.978   5.293  12.603
  161   1HB   GLU  58          2HB       GLU  58  12.212   6.421  13.078
  162   2HB   GLU  58          1HB       GLU  58  12.176   4.667  13.186
  163   1HG   GLU  58          2HG       GLU  58  12.964   5.919  10.607
  164   2HG   GLU  58          1HG       GLU  58  14.114   5.924  11.943
  165    H    ALA  59           H        ALA  59   8.954   6.078  10.138
  166    HA   ALA  59           HA       ALA  59   9.306   8.961  10.337
  167   1HB   ALA  59          1HB       ALA  59  10.607   9.088   8.537
  168   2HB   ALA  59          2HB       ALA  59   9.202   8.595   7.591
  169   3HB   ALA  59          3HB       ALA  59  10.360   7.385   8.149
  170    H    GLU  60           H        GLU  60   7.733   9.997   8.582
  171    HA   GLU  60           HA       GLU  60   5.154   8.634   8.951
  172   1HB   GLU  60          2HB       GLU  60   5.310  10.831  10.014
  173   2HB   GLU  60          1HB       GLU  60   5.755  11.558   8.476
  174   1HG   GLU  60          2HG       GLU  60   3.629  11.408   7.630
  175   2HG   GLU  60          1HG       GLU  60   3.188  10.065   8.684
  176    H    ALA  61           H        ALA  61   4.268   7.732   7.225
  177    HA   ALA  61           HA       ALA  61   5.115   8.635   4.559
  178   1HB   ALA  61          1HB       ALA  61   4.314   6.020   5.683
  179   2HB   ALA  61          2HB       ALA  61   5.539   6.411   4.476
  180   3HB   ALA  61          3HB       ALA  61   3.835   6.354   4.018
  181    H    GLU  62           H        GLU  62   3.710   9.539   3.178
  182    HA   GLU  62           HA       GLU  62   0.896   9.707   4.024
  183   1HB   GLU  62          2HB       GLU  62   2.441  11.544   2.185
  184   2HB   GLU  62          1HB       GLU  62   0.770  11.756   2.686
  185   1HG   GLU  62          2HG       GLU  62   3.177  11.817   4.491
  186   2HG   GLU  62          1HG       GLU  62   2.258  13.214   3.933
  187    H    LYS  63           H        LYS  63   3.035   8.694   1.505
  188    HA   LYS  63           HA       LYS  63   0.854   8.313  -0.396
  189   1HB   LYS  63          2HB       LYS  63   3.317   9.122  -0.890
  190   2HB   LYS  63          1HB       LYS  63   3.650   7.395  -0.920
  191   1HG   LYS  63          2HG       LYS  63   3.208   7.766  -3.125
  192   2HG   LYS  63          1HG       LYS  63   1.591   7.352  -2.549
  193   1HD   LYS  63          2HD       LYS  63   0.937   9.632  -2.483
  194   2HD   LYS  63          1HD       LYS  63   2.597  10.185  -2.709
  195   1HE   LYS  63          2HE       LYS  63   1.026   8.607  -4.742
  196   2HE   LYS  63          1HE       LYS  63   1.189  10.362  -4.751
  197   1HZ   LYS  63          1HZ       LYS  63   3.680   9.904  -4.771
  198   2HZ   LYS  63          2HZ       LYS  63   2.826   9.613  -6.202
  199   3HZ   LYS  63          3HZ       LYS  63   3.275   8.320  -5.208
  200    H    CYS  64           H        CYS  64  -0.378   6.614   0.217
  201    HA   CYS  64           HA       CYS  64   0.381   4.331   1.562
  202   1HB   CYS  64          2HB       CYS  64  -1.903   5.175  -0.037
  203   2HB   CYS  64          1HB       CYS  64  -1.604   3.445  -0.169
  204    H    SER  65           H        SER  65   1.811   2.816   1.081
  205    HA   SER  65           HA       SER  65   2.523   2.344  -1.717
  206   1HB   SER  65          2HB       SER  65   3.861   1.567   0.880
  207   2HB   SER  65          1HB       SER  65   4.426   1.024  -0.701
  208    HG   SER  65           HG       SER  65   5.029   3.039  -1.199
  209    H    CYS  66           H        CYS  66   0.098   1.302  -0.140
  210    HA   CYS  66           HA       CYS  66   0.361  -1.467  -1.071
  211   1HB   CYS  66          2HB       CYS  66  -1.207  -1.906   1.054
  212   2HB   CYS  66          1HB       CYS  66   0.548  -2.015   1.138
  213    H    CYS  67           H        CYS  67  -1.109   1.285  -1.597
  214    HA   CYS  67           HA       CYS  67  -3.561   0.000  -2.512
  215   1HB   CYS  67          2HB       CYS  67  -3.552   2.471  -0.765
  216   2HB   CYS  67          1HB       CYS  67  -4.962   1.843  -1.613
  217    H    GLN  68           H        GLN  68  -1.117   1.123  -3.728
  218    HA   GLN  68           HA       GLN  68  -0.472   2.452  -5.461
  219   1HB   GLN  68          2HB       GLN  68  -2.679   1.134  -6.241
  220   2HB   GLN  68          1HB       GLN  68  -3.265   2.785  -6.407
  221   1HG   GLN  68          2HG       GLN  68  -2.404   2.577  -8.471
  222   2HG   GLN  68          1HG       GLN  68  -0.908   3.026  -7.653
  223   1HE2  GLN  68          1HE2      GLN  68   0.672   1.489  -7.323
  224   2HE2  GLN  68          2HE2      GLN  68   0.652  -0.053  -8.104
  Start of MODEL    4
    1   1H    LYS  32          1H        LYS  32 -14.355   8.767  11.044
    2    HA   LYS  32           HA       LYS  32 -15.657   6.822   9.344
    3   1HB   LYS  32          2HB       LYS  32 -14.673   9.635   8.954
    4   2HB   LYS  32          1HB       LYS  32 -15.169   8.654   7.582
    5   1HG   LYS  32          2HG       LYS  32 -17.103   9.787   8.063
    6   2HG   LYS  32          1HG       LYS  32 -17.340   8.293   8.973
    7   1HD   LYS  32          2HD       LYS  32 -17.052   9.322  10.999
    8   2HD   LYS  32          1HD       LYS  32 -15.998  10.573  10.336
    9   1HE   LYS  32          2HE       LYS  32 -18.222  11.412  11.061
   10   2HE   LYS  32          1HE       LYS  32 -17.867  11.714   9.361
   11   1HZ   LYS  32          1HZ       LYS  32 -19.402  10.176   8.673
   12   2HZ   LYS  32          2HZ       LYS  32 -20.164  10.771  10.060
   13   3HZ   LYS  32          3HZ       LYS  32 -19.349   9.290  10.113
   14    H    SER  33           H        SER  33 -12.436   7.901  10.032
   15    HA   SER  33           HA       SER  33 -11.391   6.387   7.740
   16   1HB   SER  33          2HB       SER  33  -9.382   7.643   7.923
   17   2HB   SER  33          1HB       SER  33 -10.689   8.808   8.129
   18    HG   SER  33           HG       SER  33 -10.336   8.254  10.496
   19    H    CYS  34           H        CYS  34  -9.485   5.041   8.096
   20    HA   CYS  34           HA       CYS  34  -9.361   3.929  10.820
   21   1HB   CYS  34          2HB       CYS  34  -8.866   1.708   9.569
   22   2HB   CYS  34          1HB       CYS  34 -10.534   2.256   9.698
   23    H    CYS  35           H        CYS  35  -7.660   5.897   9.452
   24    HA   CYS  35           HA       CYS  35  -5.153   5.016  10.296
   25   1HB   CYS  35          2HB       CYS  35  -4.048   4.867   8.002
   26   2HB   CYS  35          1HB       CYS  35  -5.024   3.487   8.495
   27    H    SER  36           H        SER  36  -3.366   6.415   8.932
   28    HA   SER  36           HA       SER  36  -4.488   9.119   8.629
   29   1HB   SER  36          2HB       SER  36  -3.221   8.570  10.855
   30   2HB   SER  36          1HB       SER  36  -1.778   8.717   9.853
   31    HG   SER  36           HG       SER  36  -3.583  10.660  10.677
   32    H    CYS  37           H        CYS  37  -3.607   6.992   6.720
   33    HA   CYS  37           HA       CYS  37  -1.681   8.641   5.228
   34   1HB   CYS  37          2HB       CYS  37  -1.005   6.238   4.289
   35   2HB   CYS  37          1HB       CYS  37  -0.237   6.934   5.712
   36    H    CYS  38           H        CYS  38  -4.724   7.540   5.326
   37    HA   CYS  38           HA       CYS  38  -5.034   7.785   2.439
   38   1HB   CYS  38          2HB       CYS  38  -6.061   5.409   4.007
   39   2HB   CYS  38          1HB       CYS  38  -6.514   5.786   2.348
   40    HA   PRO  39           HA       PRO  39  -8.638  10.052   3.502
   41   1HB   PRO  39          2HB       PRO  39 -10.236   9.551   1.366
   42   2HB   PRO  39          1HB       PRO  39  -8.813  10.594   1.276
   43   1HG   PRO  39          2HG       PRO  39  -9.114   7.728   0.467
   44   2HG   PRO  39          1HG       PRO  39  -8.287   9.048  -0.380
   45   1HD   PRO  39          2HD       PRO  39  -6.959   7.199   1.086
   46   2HD   PRO  39          1HD       PRO  39  -6.402   8.877   0.935
   47    H    ALA  40           H        ALA  40 -11.196   9.743   3.325
   48    HA   ALA  40           HA       ALA  40 -11.761   7.255   4.767
   49   1HB   ALA  40          1HB       ALA  40 -12.456   9.050   6.071
   50   2HB   ALA  40          2HB       ALA  40 -13.945   8.520   5.291
   51   3HB   ALA  40          3HB       ALA  40 -13.091   9.938   4.685
   52    H    GLU  41           H        GLU  41 -11.570   7.632   1.767
   53    HA   GLU  41           HA       GLU  41 -14.129   6.338   1.146
   54   1HB   GLU  41          2HB       GLU  41 -14.362   7.581  -0.916
   55   2HB   GLU  41          1HB       GLU  41 -14.254   8.706   0.431
   56   1HG   GLU  41          2HG       GLU  41 -11.749   8.816  -0.143
   57   2HG   GLU  41          1HG       GLU  41 -12.227   8.100  -1.681
   58    H    CYS  42           H        CYS  42 -11.006   5.865   1.388
   59    HA   CYS  42           HA       CYS  42 -10.186   4.886  -1.135
   60   1HB   CYS  42          2HB       CYS  42  -8.692   5.465   0.826
   61   2HB   CYS  42          1HB       CYS  42  -9.186   3.940   1.553
   62    H    GLU  43           H        GLU  43 -11.169   3.294  -2.189
   63    HA   GLU  43           HA       GLU  43 -12.901   1.409  -1.107
   64   1HB   GLU  43          2HB       GLU  43 -12.150   2.106  -3.630
   65   2HB   GLU  43          1HB       GLU  43 -11.396   0.524  -3.481
   66   1HG   GLU  43          2HG       GLU  43 -13.607  -0.393  -2.805
   67   2HG   GLU  43          1HG       GLU  43 -14.312   1.182  -3.160
   68    H    LYS  44           H        LYS  44  -9.442   1.140  -1.823
   69    HA   LYS  44           HA       LYS  44  -9.059  -1.545  -1.264
   70   1HB   LYS  44          2HB       LYS  44  -7.258   0.841  -0.893
   71   2HB   LYS  44          1HB       LYS  44  -6.714  -0.798  -0.563
   72   1HG   LYS  44          2HG       LYS  44  -7.791   0.144  -3.212
   73   2HG   LYS  44          1HG       LYS  44  -6.078   0.021  -2.803
   74   1HD   LYS  44          2HD       LYS  44  -8.056  -2.258  -2.815
   75   2HD   LYS  44          1HD       LYS  44  -6.851  -1.933  -4.064
   76   1HE   LYS  44          2HE       LYS  44  -6.334  -2.655  -1.182
   77   2HE   LYS  44          1HE       LYS  44  -6.032  -3.662  -2.598
   78   1HZ   LYS  44          1HZ       LYS  44  -4.542  -1.330  -1.624
   79   2HZ   LYS  44          2HZ       LYS  44  -4.557  -1.644  -3.286
   80   3HZ   LYS  44          3HZ       LYS  44  -3.964  -2.808  -2.211
   81    H    CYS  45           H        CYS  45  -9.501   1.147   0.916
   82    HA   CYS  45           HA       CYS  45  -8.943  -0.560   3.231
   83   1HB   CYS  45          2HB       CYS  45  -9.157   2.399   2.814
   84   2HB   CYS  45          1HB       CYS  45  -9.418   1.734   4.423
   85    H    ALA  46           H        ALA  46 -11.518   0.406   1.328
   86    HA   ALA  46           HA       ALA  46 -13.608   0.946   3.033
   87   1HB   ALA  46          1HB       ALA  46 -15.083  -0.016   1.321
   88   2HB   ALA  46          2HB       ALA  46 -13.680  -0.736   0.531
   89   3HB   ALA  46          3HB       ALA  46 -13.838   1.018   0.619
   90    H    LYS  47           H        LYS  47 -13.143  -2.308   1.660
   91    HA   LYS  47           HA       LYS  47 -14.763  -3.680   3.412
   92   1HB   LYS  47          2HB       LYS  47 -13.311  -5.682   2.868
   93   2HB   LYS  47          1HB       LYS  47 -13.973  -4.816   1.487
   94   1HG   LYS  47          2HG       LYS  47 -11.781  -3.602   1.327
   95   2HG   LYS  47          1HG       LYS  47 -11.159  -4.724   2.539
   96   1HD   LYS  47          2HD       LYS  47 -12.490  -5.755   0.064
   97   2HD   LYS  47          1HD       LYS  47 -10.802  -5.241   0.020
   98   1HE   LYS  47          2HE       LYS  47 -10.439  -6.781   2.007
   99   2HE   LYS  47          1HE       LYS  47 -12.043  -7.430   1.670
  100   1HZ   LYS  47          1HZ       LYS  47 -11.343  -8.199  -0.430
  101   2HZ   LYS  47          2HZ       LYS  47 -10.135  -8.668   0.656
  102   3HZ   LYS  47          3HZ       LYS  47  -9.888  -7.339  -0.361
  103    H    ASP  48           H        ASP  48 -11.252  -3.166   3.700
  104    HA   ASP  48           HA       ASP  48 -11.376  -2.946   6.532
  105   1HB   ASP  48          2HB       ASP  48 -11.599  -5.478   6.040
  106   2HB   ASP  48          1HB       ASP  48  -9.892  -5.394   5.612
  107    H    CYS  49           H        CYS  49  -9.464  -2.175   7.413
  108    HA   CYS  49           HA       CYS  49  -7.772  -0.708   5.794
  109   1HB   CYS  49          2HB       CYS  49  -8.108  -0.509   8.308
  110   2HB   CYS  49          1HB       CYS  49  -6.951  -1.826   8.474
  111    H    VAL  50           H        VAL  50  -6.216  -1.254   4.428
  112    HA   VAL  50           HA       VAL  50  -4.867  -3.850   4.796
  113    HB   VAL  50           HB       VAL  50  -4.450  -3.835   2.360
  114   1HG1  VAL  50          1HG1      VAL  50  -6.549  -4.656   1.760
  115   2HG1  VAL  50          2HG1      VAL  50  -6.513  -4.852   3.513
  116   3HG1  VAL  50          3HG1      VAL  50  -7.399  -3.508   2.792
  117   1HG2  VAL  50          1HG2      VAL  50  -5.061  -2.164   0.959
  118   2HG2  VAL  50          2HG2      VAL  50  -6.493  -1.747   1.900
  119   3HG2  VAL  50          3HG2      VAL  50  -4.903  -1.194   2.424
  120    H    CYS  51           H        CYS  51  -3.882  -1.712   6.194
  121    HA   CYS  51           HA       CYS  51  -1.395  -1.115   4.733
  122   1HB   CYS  51          2HB       CYS  51  -2.466   0.767   6.808
  123   2HB   CYS  51          1HB       CYS  51  -1.352   1.091   5.483
  124    H    LYS  52           H        LYS  52  -1.788  -3.351   6.388
  125    HA   LYS  52           HA       LYS  52  -0.729  -2.797   9.007
  126   1HB   LYS  52          2HB       LYS  52  -1.185  -5.395   7.531
  127   2HB   LYS  52          1HB       LYS  52  -0.645  -5.287   9.201
  128   1HG   LYS  52          2HG       LYS  52  -3.143  -3.874   8.433
  129   2HG   LYS  52          1HG       LYS  52  -3.178  -5.632   8.596
  130   1HD   LYS  52          2HD       LYS  52  -2.205  -5.381  10.870
  131   2HD   LYS  52          1HD       LYS  52  -2.341  -3.630  10.694
  132   1HE   LYS  52          2HE       LYS  52  -4.291  -4.098  11.805
  133   2HE   LYS  52          1HE       LYS  52  -4.839  -4.198  10.133
  134   1HZ   LYS  52          1HZ       LYS  52  -5.198  -6.391  10.296
  135   2HZ   LYS  52          2HZ       LYS  52  -5.246  -6.103  11.961
  136   3HZ   LYS  52          3HZ       LYS  52  -3.824  -6.671  11.243
  137    H    GLY  53           H        GLY  53   1.307  -2.012   9.023
  138   1HA   GLY  53          2HA       GLY  53   3.527  -3.592   8.810
  139   2HA   GLY  53          1HA       GLY  53   3.325  -2.927   7.195
  140    H    GLY  54           H        GLY  54   2.699  -1.391  10.332
  141   1HA   GLY  54          2HA       GLY  54   4.634   0.698   9.557
  142   2HA   GLY  54          1HA       GLY  54   3.233   0.962  10.584
  143    H    GLU  55           H        GLU  55   5.009  -1.923  11.128
  144    HA   GLU  55           HA       GLU  55   6.116  -0.741  13.585
  145   1HB   GLU  55          2HB       GLU  55   4.490  -2.543  13.950
  146   2HB   GLU  55          1HB       GLU  55   5.459  -3.626  12.962
  147   1HG   GLU  55          2HG       GLU  55   5.802  -4.070  15.314
  148   2HG   GLU  55          1HG       GLU  55   7.285  -3.471  14.571
  149    H    ALA  56           H        ALA  56   6.881  -2.493  10.682
  150    HA   ALA  56           HA       ALA  56   9.646  -2.905  11.544
  151   1HB   ALA  56          1HB       ALA  56   8.129  -4.621  10.267
  152   2HB   ALA  56          2HB       ALA  56   9.850  -4.495   9.903
  153   3HB   ALA  56          3HB       ALA  56   8.666  -3.718   8.849
  154    H    ALA  57           H        ALA  57   8.511  -0.236  10.952
  155    HA   ALA  57           HA       ALA  57  10.573   0.603   9.060
  156   1HB   ALA  57          1HB       ALA  57   7.945   0.389   8.239
  157   2HB   ALA  57          2HB       ALA  57   9.209   1.344   7.461
  158   3HB   ALA  57          3HB       ALA  57   8.124   2.100   8.628
  159    H    GLU  58           H        GLU  58  11.108   2.864   9.212
  160    HA   GLU  58           HA       GLU  58  10.110   4.200  11.630
  161   1HB   GLU  58          2HB       GLU  58  13.020   4.009  10.835
  162   2HB   GLU  58          1HB       GLU  58  12.383   4.893  12.215
  163   1HG   GLU  58          2HG       GLU  58  13.113   2.970  13.213
  164   2HG   GLU  58          1HG       GLU  58  11.423   2.574  12.906
  165    H    ALA  59           H        ALA  59   8.883   5.188   9.740
  166    HA   ALA  59           HA       ALA  59   9.871   7.787   9.269
  167   1HB   ALA  59          1HB       ALA  59  10.971   5.983   7.515
  168   2HB   ALA  59          2HB       ALA  59  10.838   7.723   7.258
  169   3HB   ALA  59          3HB       ALA  59   9.609   6.639   6.606
  170    H    GLU  60           H        GLU  60   8.390   9.092   7.949
  171    HA   GLU  60           HA       GLU  60   5.663   8.259   8.387
  172   1HB   GLU  60          2HB       GLU  60   6.628  10.616   8.729
  173   2HB   GLU  60          1HB       GLU  60   6.530  10.775   6.981
  174   1HG   GLU  60          2HG       GLU  60   4.597  11.760   8.077
  175   2HG   GLU  60          1HG       GLU  60   4.134  10.399   7.057
  176    H    ALA  61           H        ALA  61   4.263   7.499   6.924
  177    HA   ALA  61           HA       ALA  61   5.099   7.491   4.096
  178   1HB   ALA  61          1HB       ALA  61   3.878   5.351   5.781
  179   2HB   ALA  61          2HB       ALA  61   5.224   5.258   4.644
  180   3HB   ALA  61          3HB       ALA  61   3.569   5.381   4.044
  181    H    GLU  62           H        GLU  62   3.949   9.471   3.771
  182    HA   GLU  62           HA       GLU  62   1.047   9.371   4.094
  183   1HB   GLU  62          2HB       GLU  62   3.025  11.555   3.550
  184   2HB   GLU  62          1HB       GLU  62   1.331  11.794   3.146
  185   1HG   GLU  62          2HG       GLU  62   2.063  10.844   5.873
  186   2HG   GLU  62          1HG       GLU  62   2.264  12.545   5.459
  187    H    LYS  63           H        LYS  63   2.691   7.876   2.027
  188    HA   LYS  63           HA       LYS  63   1.307   8.899  -0.366
  189   1HB   LYS  63          2HB       LYS  63   3.728   7.120  -0.468
  190   2HB   LYS  63          1HB       LYS  63   3.077   8.163  -1.726
  191   1HG   LYS  63          2HG       LYS  63   4.833   9.442  -1.100
  192   2HG   LYS  63          1HG       LYS  63   3.656  10.032   0.076
  193   1HD   LYS  63          2HD       LYS  63   4.630   8.892   1.822
  194   2HD   LYS  63          1HD       LYS  63   5.337   7.666   0.767
  195   1HE   LYS  63          2HE       LYS  63   7.186   8.903   1.407
  196   2HE   LYS  63          1HE       LYS  63   6.763   9.627  -0.143
  197   1HZ   LYS  63          1HZ       LYS  63   7.102  11.433   1.251
  198   2HZ   LYS  63          2HZ       LYS  63   6.334  10.707   2.570
  199   3HZ   LYS  63          3HZ       LYS  63   5.419  11.264   1.260
  200    H    CYS  64           H        CYS  64   1.802   6.234   1.754
  201    HA   CYS  64           HA       CYS  64   0.846   4.176   1.903
  202   1HB   CYS  64          2HB       CYS  64  -1.090   5.824   0.496
  203   2HB   CYS  64          1HB       CYS  64  -1.212   4.133   0.022
  204    H    SER  65           H        SER  65   2.448   2.883   1.117
  205    HA   SER  65           HA       SER  65   2.677   2.486  -1.765
  206   1HB   SER  65          2HB       SER  65   4.686   2.790  -0.202
  207   2HB   SER  65          1HB       SER  65   4.356   1.148   0.354
  208    HG   SER  65           HG       SER  65   4.861   1.918  -2.333
  209    H    CYS  66           H        CYS  66   0.379   1.510  -0.139
  210    HA   CYS  66           HA       CYS  66   0.520  -1.292  -1.001
  211   1HB   CYS  66          2HB       CYS  66  -1.052  -1.591   1.151
  212   2HB   CYS  66          1HB       CYS  66   0.696  -1.788   1.217
  213    H    CYS  67           H        CYS  67  -0.833   1.482  -1.637
  214    HA   CYS  67           HA       CYS  67  -3.351   0.273  -2.465
  215   1HB   CYS  67          2HB       CYS  67  -3.215   2.830  -0.853
  216   2HB   CYS  67          1HB       CYS  67  -4.662   2.207  -1.639
  217    H    GLN  68           H        GLN  68  -2.311   0.419  -4.532
  218    HA   GLN  68           HA       GLN  68  -1.877   3.112  -5.580
  219   1HB   GLN  68          2HB       GLN  68  -0.912   1.975  -7.535
  220   2HB   GLN  68          1HB       GLN  68  -0.141   1.464  -6.040
  221   1HG   GLN  68          2HG       GLN  68  -2.412  -0.157  -7.035
  222   2HG   GLN  68          1HG       GLN  68  -0.886  -0.250  -7.913
  223   1HE2  GLN  68          1HE2      GLN  68  -1.062  -2.513  -7.172
  224   2HE2  GLN  68          2HE2      GLN  68  -0.412  -2.913  -5.623
  Start of MODEL    5
    1   1H    LYS  32          1H        LYS  32 -12.982   8.847  13.874
    2    HA   LYS  32           HA       LYS  32 -14.135   9.596  12.056
    3   1HB   LYS  32          2HB       LYS  32 -12.227  11.881  12.541
    4   2HB   LYS  32          1HB       LYS  32 -13.518  11.960  11.350
    5   1HG   LYS  32          2HG       LYS  32 -15.159  11.548  13.140
    6   2HG   LYS  32          1HG       LYS  32 -13.843  11.563  14.316
    7   1HD   LYS  32          2HD       LYS  32 -14.674  13.735  14.418
    8   2HD   LYS  32          1HD       LYS  32 -13.290  13.885  13.332
    9   1HE   LYS  32          2HE       LYS  32 -15.176  15.102  12.433
   10   2HE   LYS  32          1HE       LYS  32 -14.817  13.714  11.406
   11   1HZ   LYS  32          1HZ       LYS  32 -16.880  13.007  11.685
   12   2HZ   LYS  32          2HZ       LYS  32 -17.235  14.357  12.640
   13   3HZ   LYS  32          3HZ       LYS  32 -16.671  12.935  13.362
   14    H    SER  33           H        SER  33 -12.246   7.747  11.343
   15    HA   SER  33           HA       SER  33 -11.984   8.147   8.590
   16   1HB   SER  33          2HB       SER  33  -9.416   8.220   8.542
   17   2HB   SER  33          1HB       SER  33 -10.255   9.723   8.921
   18    HG   SER  33           HG       SER  33  -8.600   9.423  10.400
   19    H    CYS  34           H        CYS  34 -10.049   6.544   7.778
   20    HA   CYS  34           HA       CYS  34 -10.551   4.026   9.219
   21   1HB   CYS  34          2HB       CYS  34 -11.466   4.149   6.915
   22   2HB   CYS  34          1HB       CYS  34  -9.836   4.414   6.305
   23    H    CYS  35           H        CYS  35  -8.165   6.268   8.345
   24    HA   CYS  35           HA       CYS  35  -6.117   4.938   9.731
   25   1HB   CYS  35          2HB       CYS  35  -4.640   4.717   7.553
   26   2HB   CYS  35          1HB       CYS  35  -5.700   3.407   8.061
   27    H    SER  36           H        SER  36  -3.848   5.957   8.826
   28    HA   SER  36           HA       SER  36  -4.372   8.852   8.672
   29   1HB   SER  36          2HB       SER  36  -3.176   7.740  10.730
   30   2HB   SER  36          1HB       SER  36  -1.771   7.738   9.664
   31    HG   SER  36           HG       SER  36  -2.564   9.716  11.119
   32    H    CYS  37           H        CYS  37  -3.986   6.778   6.504
   33    HA   CYS  37           HA       CYS  37  -1.857   8.215   5.071
   34   1HB   CYS  37          2HB       CYS  37  -1.847   5.689   3.944
   35   2HB   CYS  37          1HB       CYS  37  -0.654   6.320   5.074
   36    H    CYS  38           H        CYS  38  -4.791   6.263   4.869
   37    HA   CYS  38           HA       CYS  38  -5.296   7.409   2.202
   38   1HB   CYS  38          2HB       CYS  38  -6.541   4.899   3.329
   39   2HB   CYS  38          1HB       CYS  38  -6.601   5.471   1.665
   40    HA   PRO  39           HA       PRO  39  -8.835   9.510   3.729
   41   1HB   PRO  39          2HB       PRO  39 -10.473   9.417   1.567
   42   2HB   PRO  39          1HB       PRO  39  -9.034  10.442   1.639
   43   1HG   PRO  39          2HG       PRO  39  -9.393   7.770   0.338
   44   2HG   PRO  39          1HG       PRO  39  -8.558   9.209  -0.274
   45   1HD   PRO  39          2HD       PRO  39  -7.237   7.112   0.815
   46   2HD   PRO  39          1HD       PRO  39  -6.656   8.783   0.956
   47    H    ALA  40           H        ALA  40 -11.397   9.271   3.553
   48    HA   ALA  40           HA       ALA  40 -11.978   6.605   4.602
   49   1HB   ALA  40          1HB       ALA  40 -14.012   7.601   5.500
   50   2HB   ALA  40          2HB       ALA  40 -13.646   9.117   4.677
   51   3HB   ALA  40          3HB       ALA  40 -12.593   8.539   5.970
   52    H    GLU  41           H        GLU  41 -11.704   7.278   1.688
   53    HA   GLU  41           HA       GLU  41 -14.253   6.093   0.850
   54   1HB   GLU  41          2HB       GLU  41 -12.889   8.386  -0.571
   55   2HB   GLU  41          1HB       GLU  41 -14.324   7.541  -1.131
   56   1HG   GLU  41          2HG       GLU  41 -14.325   8.846   1.551
   57   2HG   GLU  41          1HG       GLU  41 -14.545   9.816   0.096
   58    H    CYS  42           H        CYS  42 -11.144   5.565   1.138
   59    HA   CYS  42           HA       CYS  42 -10.157   4.902  -1.393
   60   1HB   CYS  42          2HB       CYS  42  -8.808   5.032   0.708
   61   2HB   CYS  42          1HB       CYS  42  -9.523   3.503   1.212
   62    H    GLU  43           H        GLU  43 -10.226   3.076  -2.640
   63    HA   GLU  43           HA       GLU  43 -12.500   1.357  -2.266
   64   1HB   GLU  43          2HB       GLU  43 -11.819   0.357  -4.408
   65   2HB   GLU  43          1HB       GLU  43 -11.901   2.110  -4.503
   66   1HG   GLU  43          2HG       GLU  43  -9.342   1.935  -3.941
   67   2HG   GLU  43          1HG       GLU  43  -9.538   0.313  -4.602
   68    H    LYS  44           H        LYS  44  -8.985   1.007  -2.137
   69    HA   LYS  44           HA       LYS  44  -8.898  -1.781  -1.796
   70   1HB   LYS  44          2HB       LYS  44  -7.024   0.468  -1.156
   71   2HB   LYS  44          1HB       LYS  44  -6.662  -1.154  -0.581
   72   1HG   LYS  44          2HG       LYS  44  -7.281  -0.650  -3.466
   73   2HG   LYS  44          1HG       LYS  44  -5.662  -0.381  -2.817
   74   1HD   LYS  44          2HD       LYS  44  -7.181  -2.972  -2.547
   75   2HD   LYS  44          1HD       LYS  44  -6.011  -2.641  -3.826
   76   1HE   LYS  44          2HE       LYS  44  -4.425  -2.051  -1.851
   77   2HE   LYS  44          1HE       LYS  44  -5.565  -2.990  -0.889
   78   1HZ   LYS  44          1HZ       LYS  44  -3.780  -4.388  -1.654
   79   2HZ   LYS  44          2HZ       LYS  44  -4.062  -3.952  -3.263
   80   3HZ   LYS  44          3HZ       LYS  44  -5.216  -4.856  -2.418
   81    H    CYS  45           H        CYS  45  -9.345   0.855   0.482
   82    HA   CYS  45           HA       CYS  45  -9.331  -0.995   2.739
   83   1HB   CYS  45          2HB       CYS  45  -9.437   2.009   2.522
   84   2HB   CYS  45          1HB       CYS  45  -9.730   1.176   4.045
   85    H    ALA  46           H        ALA  46 -11.457  -0.797   0.575
   86    HA   ALA  46           HA       ALA  46 -13.811   0.206   1.839
   87   1HB   ALA  46          1HB       ALA  46 -15.002  -0.926  -0.008
   88   2HB   ALA  46          2HB       ALA  46 -13.474  -1.641  -0.521
   89   3HB   ALA  46          3HB       ALA  46 -13.689   0.111  -0.567
   90    H    LYS  47           H        LYS  47 -12.562  -3.075   1.251
   91    HA   LYS  47           HA       LYS  47 -14.662  -4.297   2.791
   92   1HB   LYS  47          2HB       LYS  47 -12.182  -5.314   1.433
   93   2HB   LYS  47          1HB       LYS  47 -13.111  -6.353   2.506
   94   1HG   LYS  47          2HG       LYS  47 -14.982  -6.321   1.106
   95   2HG   LYS  47          1HG       LYS  47 -14.400  -4.914   0.214
   96   1HD   LYS  47          2HD       LYS  47 -12.826  -7.459   0.208
   97   2HD   LYS  47          1HD       LYS  47 -14.222  -7.276  -0.856
   98   1HE   LYS  47          2HE       LYS  47 -13.201  -5.204  -1.754
   99   2HE   LYS  47          1HE       LYS  47 -11.781  -5.507  -0.756
  100   1HZ   LYS  47          1HZ       LYS  47 -12.800  -7.217  -2.958
  101   2HZ   LYS  47          2HZ       LYS  47 -11.525  -7.647  -1.932
  102   3HZ   LYS  47          3HZ       LYS  47 -11.372  -6.309  -2.955
  103    H    ASP  48           H        ASP  48 -11.229  -3.588   3.262
  104    HA   ASP  48           HA       ASP  48 -11.520  -3.351   6.073
  105   1HB   ASP  48          2HB       ASP  48  -9.875  -5.271   6.571
  106   2HB   ASP  48          1HB       ASP  48 -11.559  -5.690   6.263
  107    H    CYS  49           H        CYS  49  -9.584  -2.653   7.116
  108    HA   CYS  49           HA       CYS  49  -7.930  -1.050   5.491
  109   1HB   CYS  49          2HB       CYS  49  -8.504  -0.682   7.935
  110   2HB   CYS  49          1HB       CYS  49  -7.308  -1.917   8.315
  111    H    VAL  50           H        VAL  50  -6.703  -2.076   3.999
  112    HA   VAL  50           HA       VAL  50  -5.101  -4.387   4.777
  113    HB   VAL  50           HB       VAL  50  -4.522  -4.565   2.406
  114   1HG1  VAL  50          1HG1      VAL  50  -6.442  -5.622   1.922
  115   2HG1  VAL  50          2HG1      VAL  50  -6.928  -5.130   3.545
  116   3HG1  VAL  50          3HG1      VAL  50  -7.415  -4.169   2.149
  117   1HG2  VAL  50          1HG2      VAL  50  -6.402  -2.637   1.368
  118   2HG2  VAL  50          2HG2      VAL  50  -5.151  -1.851   2.331
  119   3HG2  VAL  50          3HG2      VAL  50  -4.700  -2.875   0.968
  120    H    CYS  51           H        CYS  51  -4.346  -2.027   6.050
  121    HA   CYS  51           HA       CYS  51  -1.786  -1.404   4.729
  122   1HB   CYS  51          2HB       CYS  51  -3.092   0.383   6.767
  123   2HB   CYS  51          1HB       CYS  51  -1.851   0.787   5.585
  124    H    LYS  52           H        LYS  52  -1.293  -3.522   5.910
  125    HA   LYS  52           HA       LYS  52  -0.786  -3.164   8.760
  126   1HB   LYS  52          2HB       LYS  52  -0.365  -5.574   6.983
  127   2HB   LYS  52          1HB       LYS  52  -0.163  -5.545   8.730
  128   1HG   LYS  52          2HG       LYS  52  -2.438  -5.388   9.123
  129   2HG   LYS  52          1HG       LYS  52  -2.776  -4.773   7.503
  130   1HD   LYS  52          2HD       LYS  52  -3.549  -6.992   7.485
  131   2HD   LYS  52          1HD       LYS  52  -1.992  -7.046   6.655
  132   1HE   LYS  52          2HE       LYS  52  -2.042  -7.499   9.594
  133   2HE   LYS  52          1HE       LYS  52  -2.629  -8.787   8.544
  134   1HZ   LYS  52          1HZ       LYS  52  -0.232  -7.848   7.474
  135   2HZ   LYS  52          2HZ       LYS  52  -0.539  -9.359   8.171
  136   3HZ   LYS  52          3HZ       LYS  52   0.025  -8.085   9.129
  137    H    GLY  53           H        GLY  53   0.821  -1.452   8.241
  138   1HA   GLY  53          2HA       GLY  53   3.260  -2.135   6.928
  139   2HA   GLY  53          1HA       GLY  53   2.977  -0.711   7.917
  140    H    GLY  54           H        GLY  54   5.378  -1.579   8.250
  141   1HA   GLY  54          2HA       GLY  54   5.325  -2.819  10.896
  142   2HA   GLY  54          1HA       GLY  54   6.271  -3.628   9.655
  143    H    GLU  55           H        GLU  55   8.353  -3.264  10.020
  144    HA   GLU  55           HA       GLU  55   9.188  -0.505  10.625
  145   1HB   GLU  55          2HB       GLU  55   9.384  -2.225  12.526
  146   2HB   GLU  55          1HB       GLU  55  10.684  -2.935  11.580
  147   1HG   GLU  55          2HG       GLU  55  11.754  -0.639  11.590
  148   2HG   GLU  55          1HG       GLU  55  10.567  -0.206  12.819
  149    H    ALA  56           H        ALA  56  10.833   0.322   9.445
  150    HA   ALA  56           HA       ALA  56  12.529  -1.410   7.849
  151   1HB   ALA  56          1HB       ALA  56  11.859   0.334   5.890
  152   2HB   ALA  56          2HB       ALA  56  10.310   0.145   6.713
  153   3HB   ALA  56          3HB       ALA  56  11.151  -1.271   6.081
  154    H    ALA  57           H        ALA  57  14.159  -0.076   6.596
  155    HA   ALA  57           HA       ALA  57  15.108   2.061   8.347
  156   1HB   ALA  57          1HB       ALA  57  16.822   0.544   7.986
  157   2HB   ALA  57          2HB       ALA  57  17.182   1.816   6.819
  158   3HB   ALA  57          3HB       ALA  57  16.407   0.324   6.286
  159    H    GLU  58           H        GLU  58  12.912   2.811   6.845
  160    HA   GLU  58           HA       GLU  58  14.111   4.851   5.116
  161   1HB   GLU  58          2HB       GLU  58  11.880   2.971   4.366
  162   2HB   GLU  58          1HB       GLU  58  12.092   4.524   3.568
  163   1HG   GLU  58          2HG       GLU  58  14.225   3.893   2.731
  164   2HG   GLU  58          1HG       GLU  58  14.245   2.432   3.719
  165    H    ALA  59           H        ALA  59  12.736   6.716   4.776
  166    HA   ALA  59           HA       ALA  59  10.614   7.000   6.798
  167   1HB   ALA  59          1HB       ALA  59  12.806   8.967   6.164
  168   2HB   ALA  59          2HB       ALA  59  12.530   8.124   7.688
  169   3HB   ALA  59          3HB       ALA  59  11.384   9.346   7.136
  170    H    GLU  60           H        GLU  60   8.901   6.874   5.407
  171    HA   GLU  60           HA       GLU  60   8.860   8.693   3.104
  172   1HB   GLU  60          2HB       GLU  60   7.287   6.228   3.808
  173   2HB   GLU  60          1HB       GLU  60   6.721   7.346   2.574
  174   1HG   GLU  60          2HG       GLU  60   9.428   6.041   2.520
  175   2HG   GLU  60          1HG       GLU  60   8.002   5.376   1.726
  176    H    ALA  61           H        ALA  61   6.357   9.297   2.658
  177    HA   ALA  61           HA       ALA  61   5.710  11.175   4.703
  178   1HB   ALA  61          1HB       ALA  61   3.614  10.685   2.738
  179   2HB   ALA  61          2HB       ALA  61   5.194  10.980   2.015
  180   3HB   ALA  61          3HB       ALA  61   4.492  12.167   3.116
  181    H    GLU  62           H        GLU  62   3.256  11.348   5.319
  182    HA   GLU  62           HA       GLU  62   2.691   9.240   7.078
  183   1HB   GLU  62          2HB       GLU  62   0.999  11.511   6.043
  184   2HB   GLU  62          1HB       GLU  62   0.405  10.361   7.233
  185   1HG   GLU  62          2HG       GLU  62   2.668  11.055   8.445
  186   2HG   GLU  62          1HG       GLU  62   2.396  12.527   7.513
  187    H    LYS  63           H        LYS  63   1.889   9.724   3.754
  188    HA   LYS  63           HA       LYS  63  -0.386   8.129   3.498
  189   1HB   LYS  63          2HB       LYS  63   1.082   9.599   1.779
  190   2HB   LYS  63          1HB       LYS  63   1.617   7.987   1.318
  191   1HG   LYS  63          2HG       LYS  63  -0.434   7.383   0.511
  192   2HG   LYS  63          1HG       LYS  63  -1.302   8.493   1.576
  193   1HD   LYS  63          2HD       LYS  63  -0.040  10.313   0.148
  194   2HD   LYS  63          1HD       LYS  63   0.029   9.010  -1.041
  195   1HE   LYS  63          2HE       LYS  63  -2.476  10.051   0.282
  196   2HE   LYS  63          1HE       LYS  63  -1.940  10.449  -1.349
  197   1HZ   LYS  63          1HZ       LYS  63  -3.451   8.246  -0.509
  198   2HZ   LYS  63          2HZ       LYS  63  -1.978   7.665  -1.102
  199   3HZ   LYS  63          3HZ       LYS  63  -2.956   8.640  -2.079
  200    H    CYS  64           H        CYS  64  -0.198   6.035   2.008
  201    HA   CYS  64           HA       CYS  64   1.626   4.200   3.418
  202   1HB   CYS  64          2HB       CYS  64  -0.072   2.432   2.869
  203   2HB   CYS  64          1HB       CYS  64  -0.641   3.669   3.987
  204    H    SER  65           H        SER  65   1.855   2.069   2.044
  205    HA   SER  65           HA       SER  65   2.286   2.760  -0.778
  206   1HB   SER  65          2HB       SER  65   4.386   2.823   0.839
  207   2HB   SER  65          1HB       SER  65   4.333   1.076   0.602
  208    HG   SER  65           HG       SER  65   5.526   1.708  -1.068
  209    H    CYS  66           H        CYS  66   0.124   1.326   0.159
  210    HA   CYS  66           HA       CYS  66   0.643  -1.286  -1.050
  211   1HB   CYS  66          2HB       CYS  66  -1.067  -2.098   0.841
  212   2HB   CYS  66          1HB       CYS  66   0.679  -2.136   1.068
  213    H    CYS  67           H        CYS  67  -0.881   1.403  -1.453
  214    HA   CYS  67           HA       CYS  67  -3.220   0.141  -2.650
  215   1HB   CYS  67          2HB       CYS  67  -3.411   2.477  -0.735
  216   2HB   CYS  67          1HB       CYS  67  -4.735   1.879  -1.731
  217    H    GLN  68           H        GLN  68  -3.011   0.684  -4.717
  218    HA   GLN  68           HA       GLN  68  -2.083   3.394  -5.383
  219   1HB   GLN  68          2HB       GLN  68  -2.191   0.978  -7.193
  220   2HB   GLN  68          1HB       GLN  68  -1.423   2.523  -7.536
  221   1HG   GLN  68          2HG       GLN  68   0.244   2.135  -5.859
  222   2HG   GLN  68          1HG       GLN  68  -0.576   0.670  -5.325
  223   1HE2  GLN  68          1HE2      GLN  68   1.656  -0.152  -5.728
  224   2HE2  GLN  68          2HE2      GLN  68   2.011  -0.740  -7.314
  Start of MODEL    6
    1   1H    LYS  32          1H        LYS  32 -12.389  11.894  12.347
    2    HA   LYS  32           HA       LYS  32 -12.981   9.064  12.764
    3   1HB   LYS  32          2HB       LYS  32 -14.758  10.842  12.968
    4   2HB   LYS  32          1HB       LYS  32 -14.606  11.100  11.235
    5   1HG   LYS  32          2HG       LYS  32 -16.400   9.671  11.346
    6   2HG   LYS  32          1HG       LYS  32 -15.065   8.546  11.083
    7   1HD   LYS  32          2HD       LYS  32 -16.319   7.580  12.811
    8   2HD   LYS  32          1HD       LYS  32 -14.960   8.352  13.630
    9   1HE   LYS  32          2HE       LYS  32 -16.834   8.939  14.907
   10   2HE   LYS  32          1HE       LYS  32 -16.504  10.363  13.924
   11   1HZ   LYS  32          1HZ       LYS  32 -18.855   8.833  14.050
   12   2HZ   LYS  32          2HZ       LYS  32 -18.236   8.728  12.480
   13   3HZ   LYS  32          3HZ       LYS  32 -18.562  10.242  13.160
   14    H    SER  33           H        SER  33 -11.077   8.428  11.497
   15    HA   SER  33           HA       SER  33 -11.749   8.295   8.642
   16   1HB   SER  33          2HB       SER  33  -9.221   8.459   8.210
   17   2HB   SER  33          1HB       SER  33 -10.064   9.952   8.623
   18    HG   SER  33           HG       SER  33  -9.093   9.999  10.530
   19    H    CYS  34           H        CYS  34  -9.880   6.716   7.648
   20    HA   CYS  34           HA       CYS  34 -10.087   4.270   9.268
   21   1HB   CYS  34          2HB       CYS  34 -11.247   4.235   7.075
   22   2HB   CYS  34          1HB       CYS  34  -9.704   4.530   6.278
   23    H    CYS  35           H        CYS  35  -7.906   6.548   8.031
   24    HA   CYS  35           HA       CYS  35  -5.667   5.362   9.246
   25   1HB   CYS  35          2HB       CYS  35  -4.426   5.110   6.924
   26   2HB   CYS  35          1HB       CYS  35  -5.355   3.778   7.607
   27    H    SER  36           H        SER  36  -3.554   6.427   8.053
   28    HA   SER  36           HA       SER  36  -4.213   9.290   7.849
   29   1HB   SER  36          2HB       SER  36  -1.578   8.099   8.734
   30   2HB   SER  36          1HB       SER  36  -2.072   9.789   8.833
   31    HG   SER  36           HG       SER  36  -3.360   9.337  10.499
   32    H    CYS  37           H        CYS  37  -4.077   7.248   5.691
   33    HA   CYS  37           HA       CYS  37  -2.164   8.678   3.986
   34   1HB   CYS  37          2HB       CYS  37  -2.129   6.108   2.964
   35   2HB   CYS  37          1HB       CYS  37  -0.857   6.853   3.926
   36    H    CYS  38           H        CYS  38  -4.955   6.514   4.177
   37    HA   CYS  38           HA       CYS  38  -5.831   7.505   1.545
   38   1HB   CYS  38          2HB       CYS  38  -6.804   5.013   2.948
   39   2HB   CYS  38          1HB       CYS  38  -7.095   5.483   1.276
   40    HA   PRO  39           HA       PRO  39  -9.278   9.536   3.349
   41   1HB   PRO  39          2HB       PRO  39 -11.144   9.234   1.400
   42   2HB   PRO  39          1HB       PRO  39  -9.761  10.324   1.246
   43   1HG   PRO  39          2HG       PRO  39 -10.127   7.561   0.152
   44   2HG   PRO  39          1HG       PRO  39  -9.443   8.995  -0.636
   45   1HD   PRO  39          2HD       PRO  39  -7.899   7.032   0.412
   46   2HD   PRO  39          1HD       PRO  39  -7.394   8.733   0.387
   47    H    ALA  40           H        ALA  40 -11.828   9.173   3.490
   48    HA   ALA  40           HA       ALA  40 -12.148   6.554   4.747
   49   1HB   ALA  40          1HB       ALA  40 -13.560   7.531   6.198
   50   2HB   ALA  40          2HB       ALA  40 -14.353   8.486   4.944
   51   3HB   ALA  40          3HB       ALA  40 -12.818   9.027   5.628
   52    H    GLU  41           H        GLU  41 -12.246   7.057   1.789
   53    HA   GLU  41           HA       GLU  41 -14.808   5.708   1.325
   54   1HB   GLU  41          2HB       GLU  41 -13.767   7.884  -0.490
   55   2HB   GLU  41          1HB       GLU  41 -15.308   7.046  -0.603
   56   1HG   GLU  41          2HG       GLU  41 -16.110   8.104   1.379
   57   2HG   GLU  41          1HG       GLU  41 -14.523   8.795   1.713
   58    H    CYS  42           H        CYS  42 -11.665   5.344   1.268
   59    HA   CYS  42           HA       CYS  42 -10.943   4.587  -1.327
   60   1HB   CYS  42          2HB       CYS  42  -9.368   4.901   0.587
   61   2HB   CYS  42          1HB       CYS  42  -9.936   3.373   1.254
   62    H    GLU  43           H        GLU  43 -10.982   2.648  -2.428
   63    HA   GLU  43           HA       GLU  43 -13.133   0.865  -1.726
   64   1HB   GLU  43          2HB       GLU  43 -11.184   0.863  -4.037
   65   2HB   GLU  43          1HB       GLU  43 -12.503  -0.285  -3.859
   66   1HG   GLU  43          2HG       GLU  43 -12.868   2.696  -4.021
   67   2HG   GLU  43          1HG       GLU  43 -12.984   1.601  -5.398
   68    H    LYS  44           H        LYS  44  -9.610   0.616  -2.067
   69    HA   LYS  44           HA       LYS  44  -9.354  -2.111  -1.518
   70   1HB   LYS  44          2HB       LYS  44  -7.497   0.224  -1.114
   71   2HB   LYS  44          1HB       LYS  44  -7.021  -1.416  -0.696
   72   1HG   LYS  44          2HG       LYS  44  -7.987  -0.636  -3.432
   73   2HG   LYS  44          1HG       LYS  44  -6.288  -0.604  -2.955
   74   1HD   LYS  44          2HD       LYS  44  -8.068  -3.036  -2.821
   75   2HD   LYS  44          1HD       LYS  44  -6.937  -2.688  -4.131
   76   1HE   LYS  44          2HE       LYS  44  -5.111  -2.630  -2.421
   77   2HE   LYS  44          1HE       LYS  44  -6.284  -3.195  -1.232
   78   1HZ   LYS  44          1HZ       LYS  44  -6.518  -5.230  -2.336
   79   2HZ   LYS  44          2HZ       LYS  44  -4.852  -4.937  -2.341
   80   3HZ   LYS  44          3HZ       LYS  44  -5.761  -4.671  -3.743
   81    H    CYS  45           H        CYS  45  -9.717   0.644   0.619
   82    HA   CYS  45           HA       CYS  45  -9.346  -1.043   2.975
   83   1HB   CYS  45          2HB       CYS  45  -9.624   1.931   2.584
   84   2HB   CYS  45          1HB       CYS  45  -9.704   1.190   4.179
   85    H    ALA  46           H        ALA  46 -11.665  -1.288   1.147
   86    HA   ALA  46           HA       ALA  46 -13.928  -0.247   2.598
   87   1HB   ALA  46          1HB       ALA  46 -15.279  -1.267   0.921
   88   2HB   ALA  46          2HB       ALA  46 -13.951  -2.303   0.397
   89   3HB   ALA  46          3HB       ALA  46 -13.878  -0.563   0.113
   90    H    LYS  47           H        LYS  47 -12.567  -3.480   1.992
   91    HA   LYS  47           HA       LYS  47 -14.401  -4.738   3.820
   92   1HB   LYS  47          2HB       LYS  47 -13.193  -5.719   1.701
   93   2HB   LYS  47          1HB       LYS  47 -11.903  -6.065   2.844
   94   1HG   LYS  47          2HG       LYS  47 -13.188  -8.021   2.732
   95   2HG   LYS  47          1HG       LYS  47 -13.652  -7.243   4.248
   96   1HD   LYS  47          2HD       LYS  47 -15.715  -7.782   3.394
   97   2HD   LYS  47          1HD       LYS  47 -15.512  -6.150   2.753
   98   1HE   LYS  47          2HE       LYS  47 -14.556  -8.481   1.154
   99   2HE   LYS  47          1HE       LYS  47 -16.279  -8.114   1.196
  100   1HZ   LYS  47          1HZ       LYS  47 -14.974  -5.715   0.748
  101   2HZ   LYS  47          2HZ       LYS  47 -15.905  -6.599  -0.354
  102   3HZ   LYS  47          3HZ       LYS  47 -14.232  -6.840  -0.275
  103    H    ASP  48           H        ASP  48 -11.029  -3.716   3.861
  104    HA   ASP  48           HA       ASP  48 -10.975  -3.418   6.664
  105   1HB   ASP  48          2HB       ASP  48 -10.186  -6.042   5.599
  106   2HB   ASP  48          1HB       ASP  48  -8.988  -5.305   6.660
  107    H    CYS  49           H        CYS  49  -9.036  -2.481   7.412
  108    HA   CYS  49           HA       CYS  49  -7.660  -0.916   5.525
  109   1HB   CYS  49          2HB       CYS  49  -7.986  -0.399   7.979
  110   2HB   CYS  49          1HB       CYS  49  -6.707  -1.560   8.318
  111    H    VAL  50           H        VAL  50  -6.489  -1.903   3.980
  112    HA   VAL  50           HA       VAL  50  -4.697  -4.094   4.688
  113    HB   VAL  50           HB       VAL  50  -4.325  -4.339   2.281
  114   1HG1  VAL  50          1HG1      VAL  50  -6.322  -5.379   1.845
  115   2HG1  VAL  50          2HG1      VAL  50  -6.443  -5.176   3.593
  116   3HG1  VAL  50          3HG1      VAL  50  -7.281  -4.060   2.515
  117   1HG2  VAL  50          1HG2      VAL  50  -6.366  -2.633   1.257
  118   2HG2  VAL  50          2HG2      VAL  50  -5.237  -1.661   2.201
  119   3HG2  VAL  50          3HG2      VAL  50  -4.645  -2.654   0.870
  120    H    CYS  51           H        CYS  51  -3.970  -1.642   5.797
  121    HA   CYS  51           HA       CYS  51  -1.560  -0.968   4.240
  122   1HB   CYS  51          2HB       CYS  51  -2.832   0.892   6.234
  123   2HB   CYS  51          1HB       CYS  51  -1.679   1.274   4.959
  124    H    LYS  52           H        LYS  52  -1.287  -3.108   5.774
  125    HA   LYS  52           HA       LYS  52  -0.481  -2.467   8.460
  126   1HB   LYS  52          2HB       LYS  52   0.200  -4.811   8.594
  127   2HB   LYS  52          1HB       LYS  52  -1.416  -4.668   7.915
  128   1HG   LYS  52          2HG       LYS  52  -0.290  -4.814   5.634
  129   2HG   LYS  52          1HG       LYS  52   1.144  -5.348   6.512
  130   1HD   LYS  52          2HD       LYS  52  -1.535  -6.663   6.872
  131   2HD   LYS  52          1HD       LYS  52  -0.409  -7.157   5.605
  132   1HE   LYS  52          2HE       LYS  52   1.311  -7.504   7.383
  133   2HE   LYS  52          1HE       LYS  52   0.060  -7.190   8.584
  134   1HZ   LYS  52          1HZ       LYS  52  -0.718  -9.164   6.659
  135   2HZ   LYS  52          2HZ       LYS  52  -0.757  -9.231   8.348
  136   3HZ   LYS  52          3HZ       LYS  52   0.667  -9.614   7.519
  137    H    GLY  53           H        GLY  53   1.781  -3.401   9.139
  138   1HA   GLY  53          2HA       GLY  53   4.006  -3.536   7.597
  139   2HA   GLY  53          1HA       GLY  53   3.725  -1.805   7.723
  140    H    GLY  54           H        GLY  54   5.322  -4.373   9.072
  141   1HA   GLY  54          2HA       GLY  54   5.847  -2.814  11.505
  142   2HA   GLY  54          1HA       GLY  54   5.384  -4.502  11.668
  143    H    GLU  55           H        GLU  55   7.836  -3.300  12.554
  144    HA   GLU  55           HA       GLU  55  10.074  -3.707  12.581
  145   1HB   GLU  55          2HB       GLU  55   8.974  -6.101  12.368
  146   2HB   GLU  55          1HB       GLU  55   9.736  -6.068  10.784
  147   1HG   GLU  55          2HG       GLU  55  11.238  -7.152  12.242
  148   2HG   GLU  55          1HG       GLU  55  11.897  -5.546  11.940
  149    H    ALA  56           H        ALA  56   9.291  -1.852  10.718
  150    HA   ALA  56           HA       ALA  56  11.007  -2.440   8.395
  151   1HB   ALA  56          1HB       ALA  56   9.585  -1.343   7.018
  152   2HB   ALA  56          2HB       ALA  56   9.116  -0.173   8.252
  153   3HB   ALA  56          3HB       ALA  56   8.415  -1.791   8.259
  154    H    ALA  57           H        ALA  57  11.893  -0.317   7.406
  155    HA   ALA  57           HA       ALA  57  13.187   1.157   9.588
  156   1HB   ALA  57          1HB       ALA  57  14.010   1.107   6.692
  157   2HB   ALA  57          2HB       ALA  57  14.575  -0.061   7.887
  158   3HB   ALA  57          3HB       ALA  57  14.956   1.650   8.080
  159    H    GLU  58           H        GLU  58  11.036   1.535   6.902
  160    HA   GLU  58           HA       GLU  58  11.222   4.451   7.018
  161   1HB   GLU  58          2HB       GLU  58   9.856   2.548   5.123
  162   2HB   GLU  58          1HB       GLU  58   9.547   4.279   5.093
  163   1HG   GLU  58          2HG       GLU  58  12.358   3.312   4.959
  164   2HG   GLU  58          1HG       GLU  58  11.339   3.199   3.525
  165    H    ALA  59           H        ALA  59  10.246   4.865   9.006
  166    HA   ALA  59           HA       ALA  59   7.481   3.982   9.377
  167   1HB   ALA  59          1HB       ALA  59   9.220   5.496  11.317
  168   2HB   ALA  59          2HB       ALA  59   9.136   3.737  11.226
  169   3HB   ALA  59          3HB       ALA  59   7.701   4.668  11.658
  170    H    GLU  60           H        GLU  60   9.368   6.803   8.650
  171    HA   GLU  60           HA       GLU  60   7.164   8.627   9.142
  172   1HB   GLU  60          2HB       GLU  60   9.563   9.229   9.598
  173   2HB   GLU  60          1HB       GLU  60   9.835   9.220   7.861
  174   1HG   GLU  60          2HG       GLU  60   8.113  10.980   7.626
  175   2HG   GLU  60          1HG       GLU  60   7.980  11.035   9.383
  176    H    ALA  61           H        ALA  61   5.553   8.545   7.708
  177    HA   ALA  61           HA       ALA  61   6.073   9.226   4.962
  178   1HB   ALA  61          1HB       ALA  61   4.434   6.806   5.020
  179   2HB   ALA  61          2HB       ALA  61   6.116   6.546   5.481
  180   3HB   ALA  61          3HB       ALA  61   5.732   7.274   3.921
  181    H    GLU  62           H        GLU  62   4.071   9.590   3.740
  182    HA   GLU  62           HA       GLU  62   1.840  10.263   5.542
  183   1HB   GLU  62          2HB       GLU  62   1.252  12.020   3.898
  184   2HB   GLU  62          1HB       GLU  62   2.843  12.254   4.610
  185   1HG   GLU  62          2HG       GLU  62   3.946  11.713   2.656
  186   2HG   GLU  62          1HG       GLU  62   2.572  10.820   2.006
  187    H    LYS  63           H        LYS  63   2.800   8.620   2.654
  188    HA   LYS  63           HA       LYS  63  -0.003   7.840   2.178
  189   1HB   LYS  63          2HB       LYS  63   0.750   7.357  -0.178
  190   2HB   LYS  63          1HB       LYS  63   0.739   9.058   0.270
  191   1HG   LYS  63          2HG       LYS  63   3.039   9.207   0.293
  192   2HG   LYS  63          1HG       LYS  63   3.253   7.472   0.539
  193   1HD   LYS  63          2HD       LYS  63   3.873   7.790  -1.686
  194   2HD   LYS  63          1HD       LYS  63   2.205   7.226  -1.799
  195   1HE   LYS  63          2HE       LYS  63   1.398   9.406  -2.226
  196   2HE   LYS  63          1HE       LYS  63   2.928  10.144  -1.756
  197   1HZ   LYS  63          1HZ       LYS  63   3.174  10.194  -3.992
  198   2HZ   LYS  63          2HZ       LYS  63   2.179   8.853  -4.262
  199   3HZ   LYS  63          3HZ       LYS  63   3.771   8.632  -3.736
  200    H    CYS  64           H        CYS  64   0.150   5.684   0.683
  201    HA   CYS  64           HA       CYS  64   1.888   3.810   2.150
  202   1HB   CYS  64          2HB       CYS  64   0.012   2.127   1.765
  203   2HB   CYS  64          1HB       CYS  64  -0.295   3.384   2.960
  204    H    SER  65           H        SER  65   1.774   1.568   0.875
  205    HA   SER  65           HA       SER  65   2.132   2.124  -1.992
  206   1HB   SER  65          2HB       SER  65   4.023   0.635  -0.163
  207   2HB   SER  65          1HB       SER  65   4.096   0.525  -1.921
  208    HG   SER  65           HG       SER  65   4.080   3.019  -1.608
  209    H    CYS  66           H        CYS  66  -0.098   0.941  -0.581
  210    HA   CYS  66           HA       CYS  66  -0.093  -1.687  -1.895
  211   1HB   CYS  66          2HB       CYS  66  -1.708  -2.255   0.154
  212   2HB   CYS  66          1HB       CYS  66   0.031  -2.513   0.233
  213    H    CYS  67           H        CYS  67  -1.313   1.243  -2.027
  214    HA   CYS  67           HA       CYS  67  -3.847   0.316  -3.127
  215   1HB   CYS  67          2HB       CYS  67  -3.657   2.487  -1.028
  216   2HB   CYS  67          1HB       CYS  67  -5.100   2.129  -1.972
  217    H    GLN  68           H        GLN  68  -1.638   3.025  -2.578
  218    HA   GLN  68           HA       GLN  68  -2.095   3.880  -5.337
  219   1HB   GLN  68          2HB       GLN  68  -3.565   5.274  -3.944
  220   2HB   GLN  68          1HB       GLN  68  -2.184   5.752  -2.965
  221   1HG   GLN  68          2HG       GLN  68  -1.173   6.680  -5.090
  222   2HG   GLN  68          1HG       GLN  68  -2.756   6.445  -5.827
  223   1HE2  GLN  68          1HE2      GLN  68  -3.903   8.225  -5.887
  224   2HE2  GLN  68          2HE2      GLN  68  -3.906   9.484  -4.705
  Start of MODEL    7
    1   1H    LYS  32          1H        LYS  32 -13.517   9.464  13.045
    2    HA   LYS  32           HA       LYS  32 -13.429  11.655  11.201
    3   1HB   LYS  32          2HB       LYS  32 -11.507  10.340  13.063
    4   2HB   LYS  32          1HB       LYS  32 -10.851  11.325  11.762
    5   1HG   LYS  32          2HG       LYS  32 -11.025  12.760  13.603
    6   2HG   LYS  32          1HG       LYS  32 -12.396  13.166  12.568
    7   1HD   LYS  32          2HD       LYS  32 -13.883  11.869  13.965
    8   2HD   LYS  32          1HD       LYS  32 -12.526  11.320  14.952
    9   1HE   LYS  32          2HE       LYS  32 -13.175  14.234  14.626
   10   2HE   LYS  32          1HE       LYS  32 -13.962  13.241  15.853
   11   1HZ   LYS  32          1HZ       LYS  32 -11.553  12.621  16.481
   12   2HZ   LYS  32          2HZ       LYS  32 -12.171  14.115  16.979
   13   3HZ   LYS  32          3HZ       LYS  32 -11.133  14.031  15.646
   14    H    SER  33           H        SER  33 -11.920   8.432  11.299
   15    HA   SER  33           HA       SER  33 -12.188   7.963   8.548
   16   1HB   SER  33          2HB       SER  33  -9.781   8.137   7.880
   17   2HB   SER  33          1HB       SER  33 -10.534   9.697   8.214
   18    HG   SER  33           HG       SER  33  -8.570   8.320   9.634
   19    H    CYS  34           H        CYS  34 -10.256   6.250   7.919
   20    HA   CYS  34           HA       CYS  34 -10.291   4.293  10.122
   21   1HB   CYS  34          2HB       CYS  34 -10.528   2.548   8.558
   22   2HB   CYS  34          1HB       CYS  34 -11.624   3.802   7.988
   23    H    CYS  35           H        CYS  35  -8.325   6.194   8.133
   24    HA   CYS  35           HA       CYS  35  -5.941   4.935   9.217
   25   1HB   CYS  35          2HB       CYS  35  -6.758   4.696   6.417
   26   2HB   CYS  35          1HB       CYS  35  -5.139   5.362   6.611
   27    H    SER  36           H        SER  36  -4.034   6.267   9.010
   28    HA   SER  36           HA       SER  36  -4.729   9.110   8.913
   29   1HB   SER  36          2HB       SER  36  -2.594   7.518  10.269
   30   2HB   SER  36          1HB       SER  36  -2.271   9.210   9.893
   31    HG   SER  36           HG       SER  36  -3.590   9.786  11.426
   32    H    CYS  37           H        CYS  37  -3.621   6.871   6.825
   33    HA   CYS  37           HA       CYS  37  -2.042   8.861   5.339
   34   1HB   CYS  37          2HB       CYS  37  -0.959   6.592   4.399
   35   2HB   CYS  37          1HB       CYS  37  -0.302   7.458   5.783
   36    H    CYS  38           H        CYS  38  -4.839   7.244   5.417
   37    HA   CYS  38           HA       CYS  38  -5.032   7.163   2.482
   38   1HB   CYS  38          2HB       CYS  38  -6.211   5.173   4.431
   39   2HB   CYS  38          1HB       CYS  38  -6.594   5.234   2.714
   40    HA   PRO  39           HA       PRO  39  -8.582   9.710   2.887
   41   1HB   PRO  39          2HB       PRO  39 -10.083   8.866   0.790
   42   2HB   PRO  39          1HB       PRO  39  -8.613   9.829   0.593
   43   1HG   PRO  39          2HG       PRO  39  -8.992   6.872   0.316
   44   2HG   PRO  39          1HG       PRO  39  -8.066   7.981  -0.710
   45   1HD   PRO  39          2HD       PRO  39  -6.898   6.402   1.152
   46   2HD   PRO  39          1HD       PRO  39  -6.262   8.004   0.725
   47    H    ALA  40           H        ALA  40 -11.099   9.531   2.760
   48    HA   ALA  40           HA       ALA  40 -11.855   7.358   4.560
   49   1HB   ALA  40          1HB       ALA  40 -12.764  10.102   4.096
   50   2HB   ALA  40          2HB       ALA  40 -12.784   9.131   5.568
   51   3HB   ALA  40          3HB       ALA  40 -14.064   8.941   4.369
   52    H    GLU  41           H        GLU  41 -11.498   7.126   1.562
   53    HA   GLU  41           HA       GLU  41 -13.937   5.619   1.101
   54   1HB   GLU  41          2HB       GLU  41 -14.386   6.643  -1.069
   55   2HB   GLU  41          1HB       GLU  41 -14.481   7.842   0.214
   56   1HG   GLU  41          2HG       GLU  41 -11.956   8.230  -0.444
   57   2HG   GLU  41          1HG       GLU  41 -12.501   7.555  -1.978
   58    H    CYS  42           H        CYS  42 -10.953   5.258   1.419
   59    HA   CYS  42           HA       CYS  42  -9.847   4.457  -1.047
   60   1HB   CYS  42          2HB       CYS  42  -8.475   4.899   0.938
   61   2HB   CYS  42          1HB       CYS  42  -9.185   3.506   1.747
   62    H    GLU  43           H        GLU  43 -10.595   2.904  -2.321
   63    HA   GLU  43           HA       GLU  43 -12.458   0.967  -1.663
   64   1HB   GLU  43          2HB       GLU  43 -10.392   1.089  -3.850
   65   2HB   GLU  43          1HB       GLU  43 -11.520  -0.253  -3.720
   66   1HG   GLU  43          2HG       GLU  43 -12.622   2.501  -3.701
   67   2HG   GLU  43          1HG       GLU  43 -12.016   1.856  -5.225
   68    H    LYS  44           H        LYS  44  -8.922   0.658  -1.812
   69    HA   LYS  44           HA       LYS  44  -8.702  -2.043  -1.214
   70   1HB   LYS  44          2HB       LYS  44  -6.937   0.329  -0.904
   71   2HB   LYS  44          1HB       LYS  44  -6.491  -1.122  -0.016
   72   1HG   LYS  44          2HG       LYS  44  -7.177  -1.554  -2.838
   73   2HG   LYS  44          1HG       LYS  44  -5.731  -0.583  -2.550
   74   1HD   LYS  44          2HD       LYS  44  -4.755  -2.631  -2.481
   75   2HD   LYS  44          1HD       LYS  44  -5.278  -2.555  -0.797
   76   1HE   LYS  44          2HE       LYS  44  -5.886  -4.694  -1.728
   77   2HE   LYS  44          1HE       LYS  44  -7.346  -3.753  -1.426
   78   1HZ   LYS  44          1HZ       LYS  44  -7.113  -4.987  -3.646
   79   2HZ   LYS  44          2HZ       LYS  44  -6.074  -3.726  -4.085
   80   3HZ   LYS  44          3HZ       LYS  44  -7.680  -3.393  -3.671
   81    H    CYS  45           H        CYS  45  -9.183   0.709   0.922
   82    HA   CYS  45           HA       CYS  45  -9.132  -1.057   3.259
   83   1HB   CYS  45          2HB       CYS  45  -8.899   1.896   2.857
   84   2HB   CYS  45          1HB       CYS  45  -9.500   1.299   4.401
   85    H    ALA  46           H        ALA  46 -11.294  -1.106   1.282
   86    HA   ALA  46           HA       ALA  46 -13.566   0.171   2.511
   87   1HB   ALA  46          1HB       ALA  46 -14.867  -0.990   0.772
   88   2HB   ALA  46          2HB       ALA  46 -13.403  -1.832   0.264
   89   3HB   ALA  46          3HB       ALA  46 -13.513  -0.079   0.105
   90    H    LYS  47           H        LYS  47 -13.107  -3.256   1.660
   91    HA   LYS  47           HA       LYS  47 -14.974  -4.214   3.522
   92   1HB   LYS  47          2HB       LYS  47 -13.896  -5.372   1.456
   93   2HB   LYS  47          1HB       LYS  47 -12.648  -5.868   2.592
   94   1HG   LYS  47          2HG       LYS  47 -14.399  -6.921   3.987
   95   2HG   LYS  47          1HG       LYS  47 -15.585  -6.508   2.748
   96   1HD   LYS  47          2HD       LYS  47 -14.806  -8.079   1.285
   97   2HD   LYS  47          1HD       LYS  47 -13.152  -7.980   1.892
   98   1HE   LYS  47          2HE       LYS  47 -15.365  -9.141   3.554
   99   2HE   LYS  47          1HE       LYS  47 -14.499 -10.116   2.368
  100   1HZ   LYS  47          1HZ       LYS  47 -12.520  -8.880   3.765
  101   2HZ   LYS  47          2HZ       LYS  47 -13.037 -10.476   3.985
  102   3HZ   LYS  47          3HZ       LYS  47 -13.661  -9.242   4.961
  103    H    ASP  48           H        ASP  48 -11.482  -3.765   3.731
  104    HA   ASP  48           HA       ASP  48 -11.581  -3.602   6.579
  105   1HB   ASP  48          2HB       ASP  48 -11.623  -6.111   6.084
  106   2HB   ASP  48          1HB       ASP  48  -9.972  -5.914   5.504
  107    H    CYS  49           H        CYS  49  -9.417  -3.199   7.519
  108    HA   CYS  49           HA       CYS  49  -7.960  -1.376   5.897
  109   1HB   CYS  49          2HB       CYS  49  -7.608  -2.465   8.673
  110   2HB   CYS  49          1HB       CYS  49  -6.349  -1.479   7.939
  111    H    VAL  50           H        VAL  50  -7.283  -2.675   4.120
  112    HA   VAL  50           HA       VAL  50  -5.510  -4.900   4.533
  113    HB   VAL  50           HB       VAL  50  -5.301  -4.988   2.130
  114   1HG1  VAL  50          1HG1      VAL  50  -7.806  -4.993   3.516
  115   2HG1  VAL  50          2HG1      VAL  50  -8.048  -4.457   1.851
  116   3HG1  VAL  50          3HG1      VAL  50  -7.272  -6.007   2.176
  117   1HG2  VAL  50          1HG2      VAL  50  -6.477  -3.270   0.727
  118   2HG2  VAL  50          2HG2      VAL  50  -6.631  -2.284   2.180
  119   3HG2  VAL  50          3HG2      VAL  50  -5.033  -2.691   1.556
  120    H    CYS  51           H        CYS  51  -5.081  -1.656   4.862
  121    HA   CYS  51           HA       CYS  51  -2.577  -1.273   3.560
  122   1HB   CYS  51          2HB       CYS  51  -3.999   0.626   4.114
  123   2HB   CYS  51          1HB       CYS  51  -3.876   0.248   5.829
  124    H    LYS  52           H        LYS  52  -1.419  -3.165   4.235
  125    HA   LYS  52           HA       LYS  52  -0.802  -3.641   6.978
  126   1HB   LYS  52          2HB       LYS  52   0.099  -4.729   4.357
  127   2HB   LYS  52          1HB       LYS  52   1.142  -4.991   5.749
  128   1HG   LYS  52          2HG       LYS  52  -0.196  -6.890   5.671
  129   2HG   LYS  52          1HG       LYS  52  -0.949  -5.890   6.916
  130   1HD   LYS  52          2HD       LYS  52  -2.692  -5.228   5.462
  131   2HD   LYS  52          1HD       LYS  52  -1.845  -5.848   4.043
  132   1HE   LYS  52          2HE       LYS  52  -3.542  -7.417   4.527
  133   2HE   LYS  52          1HE       LYS  52  -2.038  -8.140   5.095
  134   1HZ   LYS  52          1HZ       LYS  52  -4.277  -7.049   6.656
  135   2HZ   LYS  52          2HZ       LYS  52  -2.724  -7.049   7.327
  136   3HZ   LYS  52          3HZ       LYS  52  -3.441  -8.507   6.855
  137    H    GLY  53           H        GLY  53   0.730  -2.769   8.225
  138   1HA   GLY  53          2HA       GLY  53   2.487  -0.758   7.040
  139   2HA   GLY  53          1HA       GLY  53   2.181  -0.991   8.755
  140    H    GLY  54           H        GLY  54   4.604  -1.004   6.719
  141   1HA   GLY  54          2HA       GLY  54   6.268  -2.637   8.344
  142   2HA   GLY  54          1HA       GLY  54   5.891  -3.458   6.836
  143    H    GLU  55           H        GLU  55   7.423  -0.636   8.263
  144    HA   GLU  55           HA       GLU  55   9.047  -0.387   5.823
  145   1HB   GLU  55          2HB       GLU  55   7.616   1.748   7.358
  146   2HB   GLU  55          1HB       GLU  55   9.128   2.137   6.547
  147   1HG   GLU  55          2HG       GLU  55   6.940   0.775   5.044
  148   2HG   GLU  55          1HG       GLU  55   6.866   2.512   5.336
  149    H    ALA  56           H        ALA  56  11.026   1.100   6.347
  150    HA   ALA  56           HA       ALA  56  12.571  -0.246   8.293
  151   1HB   ALA  56          1HB       ALA  56  13.726   0.616   6.431
  152   2HB   ALA  56          2HB       ALA  56  14.246   1.597   7.802
  153   3HB   ALA  56          3HB       ALA  56  13.058   2.232   6.663
  154    H    ALA  57           H        ALA  57  13.861   1.003   9.980
  155    HA   ALA  57           HA       ALA  57  12.040   2.099  11.870
  156   1HB   ALA  57          1HB       ALA  57  14.214   2.571  13.151
  157   2HB   ALA  57          2HB       ALA  57  15.013   1.717  11.831
  158   3HB   ALA  57          3HB       ALA  57  13.799   0.891  12.809
  159    H    GLU  58           H        GLU  58  14.141   3.463   9.474
  160    HA   GLU  58           HA       GLU  58  13.665   6.159  10.554
  161   1HB   GLU  58          2HB       GLU  58  15.733   5.203   8.566
  162   2HB   GLU  58          1HB       GLU  58  15.529   6.871   9.083
  163   1HG   GLU  58          2HG       GLU  58  15.966   4.783  11.153
  164   2HG   GLU  58          1HG       GLU  58  17.334   5.309  10.173
  165    H    ALA  59           H        ALA  59  11.432   5.504   9.545
  166    HA   ALA  59           HA       ALA  59  11.331   6.809   6.924
  167   1HB   ALA  59          1HB       ALA  59  10.409   5.093   5.812
  168   2HB   ALA  59          2HB       ALA  59   9.429   4.594   7.190
  169   3HB   ALA  59          3HB       ALA  59  11.120   4.101   7.085
  170    H    GLU  60           H        GLU  60   9.740   8.272   6.766
  171    HA   GLU  60           HA       GLU  60   7.364   8.063   8.426
  172   1HB   GLU  60          2HB       GLU  60   8.894   9.266   9.885
  173   2HB   GLU  60          1HB       GLU  60   9.257  10.413   8.603
  174   1HG   GLU  60          2HG       GLU  60   7.755  11.484  10.072
  175   2HG   GLU  60          1HG       GLU  60   6.836  11.061   8.628
  176    H    ALA  61           H        ALA  61   5.790   8.278   6.987
  177    HA   ALA  61           HA       ALA  61   5.661  10.646   5.332
  178   1HB   ALA  61          1HB       ALA  61   6.378   8.027   4.229
  179   2HB   ALA  61          2HB       ALA  61   6.609   9.644   3.564
  180   3HB   ALA  61          3HB       ALA  61   5.050   8.837   3.396
  181    H    GLU  62           H        GLU  62   3.566  11.011   4.437
  182    HA   GLU  62           HA       GLU  62   1.465   9.687   5.967
  183   1HB   GLU  62          2HB       GLU  62   1.578  12.222   4.351
  184   2HB   GLU  62          1HB       GLU  62   0.047  11.543   4.884
  185   1HG   GLU  62          2HG       GLU  62   0.954  11.613   7.227
  186   2HG   GLU  62          1HG       GLU  62   2.307  12.545   6.589
  187    H    LYS  63           H        LYS  63   2.897   9.423   2.960
  188    HA   LYS  63           HA       LYS  63   0.452   8.334   1.735
  189   1HB   LYS  63          2HB       LYS  63   2.928   9.577   0.600
  190   2HB   LYS  63          1HB       LYS  63   2.022   8.424  -0.372
  191   1HG   LYS  63          2HG       LYS  63   0.779  10.856   0.884
  192   2HG   LYS  63          1HG       LYS  63   1.460  10.839  -0.744
  193   1HD   LYS  63          2HD       LYS  63  -0.547   8.767   0.028
  194   2HD   LYS  63          1HD       LYS  63  -1.094  10.398  -0.367
  195   1HE   LYS  63          2HE       LYS  63   0.531   9.995  -2.442
  196   2HE   LYS  63          1HE       LYS  63   0.110   8.317  -2.102
  197   1HZ   LYS  63          1HZ       LYS  63  -1.790   8.643  -3.160
  198   2HZ   LYS  63          2HZ       LYS  63  -1.420  10.273  -3.417
  199   3HZ   LYS  63          3HZ       LYS  63  -2.243   9.804  -2.015
  200    H    CYS  64           H        CYS  64   0.344   6.232   1.144
  201    HA   CYS  64           HA       CYS  64   2.655   4.549   1.826
  202   1HB   CYS  64          2HB       CYS  64   0.990   2.698   1.959
  203   2HB   CYS  64          1HB       CYS  64   0.688   3.994   3.111
  204    H    SER  65           H        SER  65   2.251   2.283   0.518
  205    HA   SER  65           HA       SER  65   1.765   2.863  -2.300
  206   1HB   SER  65          2HB       SER  65   4.211   3.291  -1.789
  207   2HB   SER  65          1HB       SER  65   4.354   1.571  -1.425
  208    HG   SER  65           HG       SER  65   3.565   2.728  -3.895
  209    H    CYS  66           H        CYS  66   0.190   1.361  -0.606
  210    HA   CYS  66           HA       CYS  66   0.443  -1.278  -1.835
  211   1HB   CYS  66          2HB       CYS  66  -0.348  -2.133   0.554
  212   2HB   CYS  66          1HB       CYS  66   1.358  -1.971   0.148
  213    H    CYS  67           H        CYS  67  -1.319   1.175  -1.972
  214    HA   CYS  67           HA       CYS  67  -3.842  -0.281  -1.942
  215   1HB   CYS  67          2HB       CYS  67  -3.423   2.335  -0.485
  216   2HB   CYS  67          1HB       CYS  67  -5.001   1.631  -0.826
  217    H    GLN  68           H        GLN  68  -2.048   0.704  -4.009
  218    HA   GLN  68           HA       GLN  68  -3.176   3.061  -5.163
  219   1HB   GLN  68          2HB       GLN  68  -0.826   2.118  -5.534
  220   2HB   GLN  68          1HB       GLN  68  -1.581   0.975  -6.638
  221   1HG   GLN  68          2HG       GLN  68  -2.094   3.885  -6.994
  222   2HG   GLN  68          1HG       GLN  68  -0.550   3.211  -7.512
  223   1HE2  GLN  68          1HE2      GLN  68  -3.928   3.428  -8.128
  224   2HE2  GLN  68          2HE2      GLN  68  -3.932   2.572  -9.628
  Start of MODEL    8
    1   1H    LYS  32          1H        LYS  32 -12.267   9.464  13.704
    2    HA   LYS  32           HA       LYS  32 -14.589   8.992  12.162
    3   1HB   LYS  32          2HB       LYS  32 -14.395  11.251  11.443
    4   2HB   LYS  32          1HB       LYS  32 -13.831  11.208  13.108
    5   1HG   LYS  32          2HG       LYS  32 -12.133  12.420  12.278
    6   2HG   LYS  32          1HG       LYS  32 -11.500  10.837  11.817
    7   1HD   LYS  32          2HD       LYS  32 -11.358  11.814   9.780
    8   2HD   LYS  32          1HD       LYS  32 -13.056  11.340   9.686
    9   1HE   LYS  32          2HE       LYS  32 -13.150  13.561   9.066
   10   2HE   LYS  32          1HE       LYS  32 -13.482  13.656  10.796
   11   1HZ   LYS  32          1HZ       LYS  32 -11.798  15.071  10.918
   12   2HZ   LYS  32          2HZ       LYS  32 -11.332  14.779   9.318
   13   3HZ   LYS  32          3HZ       LYS  32 -10.745  13.795  10.563
   14    H    SER  33           H        SER  33 -11.206   8.692  11.488
   15    HA   SER  33           HA       SER  33 -11.768   8.330   8.625
   16   1HB   SER  33          2HB       SER  33  -9.195   8.408   8.477
   17   2HB   SER  33          1HB       SER  33 -10.037   9.914   8.841
   18    HG   SER  33           HG       SER  33  -8.970   9.983  10.636
   19    H    CYS  34           H        CYS  34  -9.854   6.733   7.748
   20    HA   CYS  34           HA       CYS  34 -10.255   4.232   9.251
   21   1HB   CYS  34          2HB       CYS  34 -11.324   4.314   7.010
   22   2HB   CYS  34          1HB       CYS  34  -9.738   4.569   6.289
   23    H    CYS  35           H        CYS  35  -7.953   6.474   8.165
   24    HA   CYS  35           HA       CYS  35  -5.803   5.192   9.435
   25   1HB   CYS  35          2HB       CYS  35  -4.478   4.930   7.166
   26   2HB   CYS  35          1HB       CYS  35  -5.489   3.624   7.778
   27    H    SER  36           H        SER  36  -3.611   6.204   8.351
   28    HA   SER  36           HA       SER  36  -4.167   9.092   8.176
   29   1HB   SER  36          2HB       SER  36  -1.767   9.308   9.026
   30   2HB   SER  36          1HB       SER  36  -2.954   8.699  10.178
   31    HG   SER  36           HG       SER  36  -0.737   7.563   9.636
   32    H    CYS  37           H        CYS  37  -3.973   7.026   6.006
   33    HA   CYS  37           HA       CYS  37  -1.967   8.440   4.390
   34   1HB   CYS  37          2HB       CYS  37  -1.998   5.884   3.325
   35   2HB   CYS  37          1HB       CYS  37  -0.729   6.568   4.335
   36    H    CYS  38           H        CYS  38  -4.855   6.402   4.447
   37    HA   CYS  38           HA       CYS  38  -5.595   7.485   1.809
   38   1HB   CYS  38          2HB       CYS  38  -6.696   4.976   3.078
   39   2HB   CYS  38          1HB       CYS  38  -6.884   5.507   1.410
   40    HA   PRO  39           HA       PRO  39  -9.052   9.543   3.564
   41   1HB   PRO  39          2HB       PRO  39 -10.847   9.372   1.535
   42   2HB   PRO  39          1HB       PRO  39  -9.430  10.427   1.478
   43   1HG   PRO  39          2HG       PRO  39  -9.827   7.723   0.258
   44   2HG   PRO  39          1HG       PRO  39  -9.073   9.167  -0.443
   45   1HD   PRO  39          2HD       PRO  39  -7.626   7.120   0.582
   46   2HD   PRO  39          1HD       PRO  39  -7.074   8.806   0.646
   47    H    ALA  40           H        ALA  40 -11.610   9.249   3.601
   48    HA   ALA  40           HA       ALA  40 -12.050   6.595   4.739
   49   1HB   ALA  40          1HB       ALA  40 -13.778   9.062   4.887
   50   2HB   ALA  40          2HB       ALA  40 -12.604   8.557   6.102
   51   3HB   ALA  40          3HB       ALA  40 -14.023   7.560   5.780
   52    H    GLU  41           H        GLU  41 -12.017   7.217   1.797
   53    HA   GLU  41           HA       GLU  41 -14.594   5.961   1.182
   54   1HB   GLU  41          2HB       GLU  41 -14.604   7.371  -0.953
   55   2HB   GLU  41          1HB       GLU  41 -15.051   8.174   0.545
   56   1HG   GLU  41          2HG       GLU  41 -12.200   8.288  -0.188
   57   2HG   GLU  41          1HG       GLU  41 -13.310   9.181  -1.224
   58    H    CYS  42           H        CYS  42 -11.457   5.505   1.241
   59    HA   CYS  42           HA       CYS  42 -10.636   4.807  -1.333
   60   1HB   CYS  42          2HB       CYS  42  -9.162   4.973   0.684
   61   2HB   CYS  42          1HB       CYS  42  -9.821   3.437   1.236
   62    H    GLU  43           H        GLU  43 -10.687   2.913  -2.514
   63    HA   GLU  43           HA       GLU  43 -12.939   1.188  -1.985
   64   1HB   GLU  43          2HB       GLU  43 -12.390   0.174  -4.156
   65   2HB   GLU  43          1HB       GLU  43 -12.500   1.926  -4.266
   66   1HG   GLU  43          2HG       GLU  43 -10.019   2.025  -4.109
   67   2HG   GLU  43          1HG       GLU  43  -9.994   0.265  -4.195
   68    H    LYS  44           H        LYS  44  -9.419   0.902  -2.070
   69    HA   LYS  44           HA       LYS  44  -9.269  -1.884  -1.704
   70   1HB   LYS  44          2HB       LYS  44  -7.364   0.373  -1.127
   71   2HB   LYS  44          1HB       LYS  44  -6.954  -1.294  -0.741
   72   1HG   LYS  44          2HG       LYS  44  -7.781  -0.416  -3.493
   73   2HG   LYS  44          1HG       LYS  44  -6.104  -0.416  -2.944
   74   1HD   LYS  44          2HD       LYS  44  -7.909  -2.833  -2.934
   75   2HD   LYS  44          1HD       LYS  44  -6.742  -2.461  -4.206
   76   1HE   LYS  44          2HE       LYS  44  -5.024  -2.365  -2.280
   77   2HE   LYS  44          1HE       LYS  44  -6.247  -3.228  -1.349
   78   1HZ   LYS  44          1HZ       LYS  44  -6.123  -4.613  -3.682
   79   2HZ   LYS  44          2HZ       LYS  44  -5.366  -5.055  -2.235
   80   3HZ   LYS  44          3HZ       LYS  44  -4.505  -4.196  -3.410
   81    H    CYS  45           H        CYS  45  -9.560   0.789   0.562
   82    HA   CYS  45           HA       CYS  45  -9.346  -1.010   2.845
   83   1HB   CYS  45          2HB       CYS  45  -9.579   1.982   2.568
   84   2HB   CYS  45          1HB       CYS  45  -9.740   1.180   4.127
   85    H    ALA  46           H        ALA  46 -11.653  -0.755   0.782
   86    HA   ALA  46           HA       ALA  46 -13.936   0.140   2.184
   87   1HB   ALA  46          1HB       ALA  46 -13.757  -1.854  -0.071
   88   2HB   ALA  46          2HB       ALA  46 -13.899  -0.105  -0.244
   89   3HB   ALA  46          3HB       ALA  46 -15.220  -1.031   0.470
   90    H    LYS  47           H        LYS  47 -12.766  -3.171   1.555
   91    HA   LYS  47           HA       LYS  47 -14.675  -4.366   3.307
   92   1HB   LYS  47          2HB       LYS  47 -13.397  -5.404   1.294
   93   2HB   LYS  47          1HB       LYS  47 -12.121  -5.700   2.467
   94   1HG   LYS  47          2HG       LYS  47 -13.344  -7.261   3.613
   95   2HG   LYS  47          1HG       LYS  47 -14.891  -6.582   3.105
   96   1HD   LYS  47          2HD       LYS  47 -14.642  -7.485   0.903
   97   2HD   LYS  47          1HD       LYS  47 -12.981  -7.979   1.238
   98   1HE   LYS  47          2HE       LYS  47 -13.821  -9.534   2.957
   99   2HE   LYS  47          1HE       LYS  47 -15.471  -9.069   2.546
  100   1HZ   LYS  47          1HZ       LYS  47 -14.489  -9.753   0.151
  101   2HZ   LYS  47          2HZ       LYS  47 -15.338 -10.808   1.164
  102   3HZ   LYS  47          3HZ       LYS  47 -13.647 -10.826   1.151
  103    H    ASP  48           H        ASP  48 -11.244  -3.540   3.569
  104    HA   ASP  48           HA       ASP  48 -11.400  -3.173   6.375
  105   1HB   ASP  48          2HB       ASP  48 -11.396  -5.710   6.151
  106   2HB   ASP  48          1HB       ASP  48  -9.745  -5.558   5.556
  107    H    CYS  49           H        CYS  49  -9.347  -2.513   7.310
  108    HA   CYS  49           HA       CYS  49  -7.846  -0.894   5.535
  109   1HB   CYS  49          2HB       CYS  49  -8.270  -0.469   8.002
  110   2HB   CYS  49          1HB       CYS  49  -7.035  -1.679   8.335
  111    H    VAL  50           H        VAL  50  -6.697  -1.935   3.996
  112    HA   VAL  50           HA       VAL  50  -5.020  -4.210   4.723
  113    HB   VAL  50           HB       VAL  50  -4.586  -4.438   2.329
  114   1HG1  VAL  50          1HG1      VAL  50  -6.489  -5.571   2.081
  115   2HG1  VAL  50          2HG1      VAL  50  -6.991  -4.878   3.625
  116   3HG1  VAL  50          3HG1      VAL  50  -7.457  -4.097   2.114
  117   1HG2  VAL  50          1HG2      VAL  50  -6.205  -2.861   0.916
  118   2HG2  VAL  50          2HG2      VAL  50  -5.862  -1.764   2.253
  119   3HG2  VAL  50          3HG2      VAL  50  -4.539  -2.418   1.288
  120    H    CYS  51           H        CYS  51  -4.226  -1.807   5.897
  121    HA   CYS  51           HA       CYS  51  -1.740  -1.212   4.430
  122   1HB   CYS  51          2HB       CYS  51  -2.987   0.661   6.429
  123   2HB   CYS  51          1HB       CYS  51  -1.786   1.018   5.191
  124    H    LYS  52           H        LYS  52  -0.723  -2.989   5.496
  125    HA   LYS  52           HA       LYS  52  -0.608  -3.442   8.227
  126   1HB   LYS  52          2HB       LYS  52   0.729  -4.389   5.913
  127   2HB   LYS  52          1HB       LYS  52   1.968  -3.959   7.085
  128   1HG   LYS  52          2HG       LYS  52   0.129  -5.332   8.600
  129   2HG   LYS  52          1HG       LYS  52   0.118  -6.197   7.062
  130   1HD   LYS  52          2HD       LYS  52   2.778  -5.473   8.110
  131   2HD   LYS  52          1HD       LYS  52   1.884  -6.675   9.046
  132   1HE   LYS  52          2HE       LYS  52   1.853  -8.196   7.305
  133   2HE   LYS  52          1HE       LYS  52   2.082  -6.951   6.077
  134   1HZ   LYS  52          1HZ       LYS  52   4.353  -6.737   6.668
  135   2HZ   LYS  52          2HZ       LYS  52   4.052  -8.391   6.488
  136   3HZ   LYS  52          3HZ       LYS  52   4.174  -7.717   8.034
  137    H    GLY  53           H        GLY  53   1.784  -1.640   6.276
  138   1HA   GLY  53          2HA       GLY  53   2.402   0.599   7.163
  139   2HA   GLY  53          1HA       GLY  53   2.493  -0.170   8.740
  140    H    GLY  54           H        GLY  54   4.669   1.064   8.347
  141   1HA   GLY  54          2HA       GLY  54   6.566  -0.806   7.071
  142   2HA   GLY  54          1HA       GLY  54   6.838   0.922   7.233
  143    H    GLU  55           H        GLU  55   8.893  -0.322   8.076
  144    HA   GLU  55           HA       GLU  55   8.632  -0.427  11.006
  145   1HB   GLU  55          2HB       GLU  55   8.989  -2.683   9.784
  146   2HB   GLU  55          1HB       GLU  55  10.631  -2.112   9.525
  147   1HG   GLU  55          2HG       GLU  55  10.828  -3.361  11.449
  148   2HG   GLU  55          1HG       GLU  55  10.655  -1.721  12.073
  149    H    ALA  56           H        ALA  56   9.406   1.746   9.181
  150    HA   ALA  56           HA       ALA  56  12.204   2.126  10.029
  151   1HB   ALA  56          1HB       ALA  56  12.163   2.177   7.676
  152   2HB   ALA  56          2HB       ALA  56  12.241   3.865   8.180
  153   3HB   ALA  56          3HB       ALA  56  10.709   3.175   7.643
  154    H    ALA  57           H        ALA  57  12.651   3.721  11.412
  155    HA   ALA  57           HA       ALA  57  10.549   5.717  11.949
  156   1HB   ALA  57          1HB       ALA  57  11.045   4.008  13.764
  157   2HB   ALA  57          2HB       ALA  57  11.091   5.706  14.238
  158   3HB   ALA  57          3HB       ALA  57  12.595   4.825  13.960
  159    H    GLU  58           H        GLU  58  12.839   5.810  10.049
  160    HA   GLU  58           HA       GLU  58  14.134   8.223  11.135
  161   1HB   GLU  58          2HB       GLU  58  15.328   5.897   9.676
  162   2HB   GLU  58          1HB       GLU  58  16.039   7.494   9.480
  163   1HG   GLU  58          2HG       GLU  58  15.536   6.414  12.216
  164   2HG   GLU  58          1HG       GLU  58  16.944   5.885  11.298
  165    H    ALA  59           H        ALA  59  11.731   7.827   9.433
  166    HA   ALA  59           HA       ALA  59  12.429   9.777   7.410
  167   1HB   ALA  59          1HB       ALA  59  11.250   7.125   6.593
  168   2HB   ALA  59          2HB       ALA  59  12.903   7.653   6.279
  169   3HB   ALA  59          3HB       ALA  59  11.549   8.505   5.537
  170    H    GLU  60           H        GLU  60  10.329  10.226   6.041
  171    HA   GLU  60           HA       GLU  60   8.132  10.462   7.982
  172   1HB   GLU  60          2HB       GLU  60   9.114  12.578   7.126
  173   2HB   GLU  60          1HB       GLU  60   8.640  12.110   5.498
  174   1HG   GLU  60          2HG       GLU  60   6.262  11.925   6.560
  175   2HG   GLU  60          1HG       GLU  60   6.949  12.990   7.785
  176    H    ALA  61           H        ALA  61   6.686   8.891   7.691
  177    HA   ALA  61           HA       ALA  61   5.996   8.089   4.947
  178   1HB   ALA  61          1HB       ALA  61   5.037   6.512   7.266
  179   2HB   ALA  61          2HB       ALA  61   6.762   6.463   6.904
  180   3HB   ALA  61          3HB       ALA  61   5.589   5.977   5.679
  181    H    GLU  62           H        GLU  62   4.376   9.372   4.263
  182    HA   GLU  62           HA       GLU  62   2.107   9.838   6.075
  183   1HB   GLU  62          2HB       GLU  62   1.500  11.677   4.535
  184   2HB   GLU  62          1HB       GLU  62   3.096  11.884   5.242
  185   1HG   GLU  62          2HG       GLU  62   4.142  11.141   3.201
  186   2HG   GLU  62          1HG       GLU  62   2.568  10.791   2.488
  187    H    LYS  63           H        LYS  63   3.077   8.320   3.133
  188    HA   LYS  63           HA       LYS  63   0.274   7.606   2.568
  189   1HB   LYS  63          2HB       LYS  63   1.282   7.038   0.238
  190   2HB   LYS  63          1HB       LYS  63   0.954   8.717   0.648
  191   1HG   LYS  63          2HG       LYS  63   3.089   8.576  -0.425
  192   2HG   LYS  63          1HG       LYS  63   3.332   8.986   1.274
  193   1HD   LYS  63          2HD       LYS  63   4.252   6.946   1.775
  194   2HD   LYS  63          1HD       LYS  63   3.377   6.114   0.486
  195   1HE   LYS  63          2HE       LYS  63   5.821   6.301   0.080
  196   2HE   LYS  63          1HE       LYS  63   4.835   7.038  -1.180
  197   1HZ   LYS  63          1HZ       LYS  63   6.872   8.295  -0.211
  198   2HZ   LYS  63          2HZ       LYS  63   5.806   8.703   1.037
  199   3HZ   LYS  63          3HZ       LYS  63   5.448   9.141  -0.558
  200    H    CYS  64           H        CYS  64   0.379   5.464   1.081
  201    HA   CYS  64           HA       CYS  64   2.010   3.516   2.575
  202   1HB   CYS  64          2HB       CYS  64   0.102   1.900   2.083
  203   2HB   CYS  64          1HB       CYS  64  -0.219   3.150   3.281
  204    H    SER  65           H        SER  65   1.907   1.302   1.269
  205    HA   SER  65           HA       SER  65   2.423   1.892  -1.568
  206   1HB   SER  65          2HB       SER  65   4.490   1.553   0.024
  207   2HB   SER  65          1HB       SER  65   4.075  -0.154  -0.131
  208    HG   SER  65           HG       SER  65   4.837  -0.138  -2.087
  209    H    CYS  66           H        CYS  66   0.088   0.755  -0.220
  210    HA   CYS  66           HA       CYS  66   0.024  -1.822  -1.635
  211   1HB   CYS  66          2HB       CYS  66  -1.685  -2.395   0.324
  212   2HB   CYS  66          1HB       CYS  66   0.043  -2.699   0.480
  213    H    CYS  67           H        CYS  67  -1.069   1.167  -1.708
  214    HA   CYS  67           HA       CYS  67  -3.590   0.387  -2.944
  215   1HB   CYS  67          2HB       CYS  67  -3.397   2.446  -0.737
  216   2HB   CYS  67          1HB       CYS  67  -4.806   2.223  -1.768
  217    H    GLN  68           H        GLN  68  -3.332   1.135  -4.942
  218    HA   GLN  68           HA       GLN  68  -1.606   3.164  -5.747
  219   1HB   GLN  68          2HB       GLN  68  -2.884   3.165  -7.868
  220   2HB   GLN  68          1HB       GLN  68  -2.471   1.544  -7.324
  221   1HG   GLN  68          2HG       GLN  68  -4.820   1.537  -6.272
  222   2HG   GLN  68          1HG       GLN  68  -5.133   2.903  -7.341
  223   1HE2  GLN  68          1HE2      GLN  68  -6.580   1.910  -8.660
  224   2HE2  GLN  68          2HE2      GLN  68  -6.182   0.596  -9.708
  Start of MODEL    9
    1   1H    LYS  32          1H        LYS  32 -13.018  11.871  12.017
    2    HA   LYS  32           HA       LYS  32 -12.819   9.112  13.030
    3   1HB   LYS  32          2HB       LYS  32 -15.024   8.731  11.822
    4   2HB   LYS  32          1HB       LYS  32 -15.098   9.676  13.303
    5   1HG   LYS  32          2HG       LYS  32 -15.477  11.666  12.163
    6   2HG   LYS  32          1HG       LYS  32 -14.873  11.017  10.637
    7   1HD   LYS  32          2HD       LYS  32 -17.247  11.161  10.465
    8   2HD   LYS  32          1HD       LYS  32 -16.833   9.453  10.632
    9   1HE   LYS  32          2HE       LYS  32 -18.597   9.667  12.108
   10   2HE   LYS  32          1HE       LYS  32 -17.205   9.882  13.168
   11   1HZ   LYS  32          1HZ       LYS  32 -18.327  12.280  11.943
   12   2HZ   LYS  32          2HZ       LYS  32 -17.663  12.062  13.482
   13   3HZ   LYS  32          3HZ       LYS  32 -19.241  11.546  13.161
   14    H    SER  33           H        SER  33 -11.933   7.686  11.677
   15    HA   SER  33           HA       SER  33 -12.196   7.819   8.845
   16   1HB   SER  33          2HB       SER  33  -9.674   8.060   8.454
   17   2HB   SER  33          1HB       SER  33 -10.561   9.530   8.856
   18    HG   SER  33           HG       SER  33  -9.393   8.006  10.906
   19    H    CYS  34           H        CYS  34 -10.254   6.289   7.909
   20    HA   CYS  34           HA       CYS  34 -10.492   3.831   9.501
   21   1HB   CYS  34          2HB       CYS  34 -11.417   3.822   7.186
   22   2HB   CYS  34          1HB       CYS  34  -9.796   4.127   6.572
   23    H    CYS  35           H        CYS  35  -8.269   6.196   8.546
   24    HA   CYS  35           HA       CYS  35  -6.133   5.106   9.977
   25   1HB   CYS  35          2HB       CYS  35  -4.646   4.782   7.828
   26   2HB   CYS  35          1HB       CYS  35  -5.639   3.462   8.437
   27    H    SER  36           H        SER  36  -3.932   6.171   8.914
   28    HA   SER  36           HA       SER  36  -4.634   8.999   8.466
   29   1HB   SER  36          2HB       SER  36  -3.543   8.317  10.710
   30   2HB   SER  36          1HB       SER  36  -2.069   8.106   9.766
   31    HG   SER  36           HG       SER  36  -2.926  10.327  10.777
   32    H    CYS  37           H        CYS  37  -3.901   6.631   6.653
   33    HA   CYS  37           HA       CYS  37  -1.813   8.059   5.145
   34   1HB   CYS  37          2HB       CYS  37  -1.449   5.524   4.289
   35   2HB   CYS  37          1HB       CYS  37  -0.545   6.236   5.623
   36    H    CYS  38           H        CYS  38  -4.954   6.991   5.211
   37    HA   CYS  38           HA       CYS  38  -5.214   7.381   2.328
   38   1HB   CYS  38          2HB       CYS  38  -6.423   5.013   3.773
   39   2HB   CYS  38          1HB       CYS  38  -6.671   5.425   2.080
   40    HA   PRO  39           HA       PRO  39  -8.768   9.716   3.415
   41   1HB   PRO  39          2HB       PRO  39 -10.335   9.346   1.231
   42   2HB   PRO  39          1HB       PRO  39  -8.881  10.350   1.211
   43   1HG   PRO  39          2HG       PRO  39  -9.248   7.528   0.281
   44   2HG   PRO  39          1HG       PRO  39  -8.367   8.856  -0.496
   45   1HD   PRO  39          2HD       PRO  39  -7.122   6.911   0.921
   46   2HD   PRO  39          1HD       PRO  39  -6.514   8.578   0.847
   47    H    ALA  40           H        ALA  40 -11.269   9.544   3.389
   48    HA   ALA  40           HA       ALA  40 -11.950   7.007   4.654
   49   1HB   ALA  40          1HB       ALA  40 -14.133   8.364   5.118
   50   2HB   ALA  40          2HB       ALA  40 -13.130   9.747   4.679
   51   3HB   ALA  40          3HB       ALA  40 -12.661   8.710   6.027
   52    H    GLU  41           H        GLU  41 -11.701   7.449   1.673
   53    HA   GLU  41           HA       GLU  41 -14.270   6.224   0.978
   54   1HB   GLU  41          2HB       GLU  41 -12.964   8.438  -0.613
   55   2HB   GLU  41          1HB       GLU  41 -14.403   7.546  -1.088
   56   1HG   GLU  41          2HG       GLU  41 -14.163   9.294   1.350
   57   2HG   GLU  41          1HG       GLU  41 -14.930   9.752  -0.169
   58    H    CYS  42           H        CYS  42 -11.187   5.672   1.241
   59    HA   CYS  42           HA       CYS  42 -10.191   4.912  -1.249
   60   1HB   CYS  42          2HB       CYS  42  -8.920   5.027   0.932
   61   2HB   CYS  42          1HB       CYS  42  -9.642   3.478   1.354
   62    H    GLU  43           H        GLU  43 -10.095   2.911  -2.324
   63    HA   GLU  43           HA       GLU  43 -12.498   1.315  -2.010
   64   1HB   GLU  43          2HB       GLU  43 -10.316   0.926  -4.055
   65   2HB   GLU  43          1HB       GLU  43 -11.985   0.382  -4.142
   66   1HG   GLU  43          2HG       GLU  43 -11.104   3.259  -4.167
   67   2HG   GLU  43          1HG       GLU  43 -11.523   2.311  -5.592
   68    H    LYS  44           H        LYS  44  -8.983   0.817  -1.983
   69    HA   LYS  44           HA       LYS  44  -8.986  -1.937  -1.516
   70   1HB   LYS  44          2HB       LYS  44  -7.020   0.243  -0.858
   71   2HB   LYS  44          1HB       LYS  44  -6.709  -1.429  -0.413
   72   1HG   LYS  44          2HG       LYS  44  -7.295  -0.544  -3.226
   73   2HG   LYS  44          1HG       LYS  44  -5.667  -0.685  -2.559
   74   1HD   LYS  44          2HD       LYS  44  -7.679  -2.930  -2.696
   75   2HD   LYS  44          1HD       LYS  44  -6.364  -2.681  -3.846
   76   1HE   LYS  44          2HE       LYS  44  -4.905  -2.670  -1.651
   77   2HE   LYS  44          1HE       LYS  44  -6.271  -3.581  -1.008
   78   1HZ   LYS  44          1HZ       LYS  44  -4.543  -4.298  -3.306
   79   2HZ   LYS  44          2HZ       LYS  44  -6.002  -5.085  -2.973
   80   3HZ   LYS  44          3HZ       LYS  44  -4.736  -5.142  -1.853
   81    H    CYS  45           H        CYS  45  -9.416   0.765   0.664
   82    HA   CYS  45           HA       CYS  45  -9.385  -1.004   2.989
   83   1HB   CYS  45          2HB       CYS  45  -9.477   1.991   2.671
   84   2HB   CYS  45          1HB       CYS  45  -9.758   1.210   4.223
   85    H    ALA  46           H        ALA  46 -11.505  -1.065   0.913
   86    HA   ALA  46           HA       ALA  46 -13.858   0.065   2.117
   87   1HB   ALA  46          1HB       ALA  46 -13.580  -0.248  -0.338
   88   2HB   ALA  46          2HB       ALA  46 -15.067  -0.943   0.310
   89   3HB   ALA  46          3HB       ALA  46 -13.702  -1.990  -0.083
   90    H    LYS  47           H        LYS  47 -12.743  -3.277   1.546
   91    HA   LYS  47           HA       LYS  47 -14.773  -4.381   3.250
   92   1HB   LYS  47          2HB       LYS  47 -13.402  -5.412   1.198
   93   2HB   LYS  47          1HB       LYS  47 -12.377  -5.980   2.510
   94   1HG   LYS  47          2HG       LYS  47 -15.282  -6.416   2.817
   95   2HG   LYS  47          1HG       LYS  47 -14.459  -7.363   1.575
   96   1HD   LYS  47          2HD       LYS  47 -12.864  -8.172   3.233
   97   2HD   LYS  47          1HD       LYS  47 -13.646  -7.196   4.478
   98   1HE   LYS  47          2HE       LYS  47 -15.779  -8.489   3.855
   99   2HE   LYS  47          1HE       LYS  47 -14.693  -9.615   3.044
  100   1HZ   LYS  47          1HZ       LYS  47 -13.479  -9.542   5.338
  101   2HZ   LYS  47          2HZ       LYS  47 -14.821 -10.545   5.109
  102   3HZ   LYS  47          3HZ       LYS  47 -14.999  -9.064   5.908
  103    H    ASP  48           H        ASP  48 -11.302  -3.761   3.506
  104    HA   ASP  48           HA       ASP  48 -11.447  -3.526   6.343
  105   1HB   ASP  48          2HB       ASP  48  -9.738  -5.404   6.727
  106   2HB   ASP  48          1HB       ASP  48 -11.416  -5.875   6.475
  107    H    CYS  49           H        CYS  49  -9.357  -2.972   7.302
  108    HA   CYS  49           HA       CYS  49  -7.874  -1.242   5.594
  109   1HB   CYS  49          2HB       CYS  49  -8.314  -0.870   8.051
  110   2HB   CYS  49          1HB       CYS  49  -7.123  -2.123   8.384
  111    H    VAL  50           H        VAL  50  -6.702  -2.224   4.032
  112    HA   VAL  50           HA       VAL  50  -5.027  -4.517   4.700
  113    HB   VAL  50           HB       VAL  50  -4.564  -4.661   2.303
  114   1HG1  VAL  50          1HG1      VAL  50  -6.449  -5.896   2.905
  115   2HG1  VAL  50          2HG1      VAL  50  -7.424  -4.452   3.185
  116   3HG1  VAL  50          3HG1      VAL  50  -7.003  -4.929   1.538
  117   1HG2  VAL  50          1HG2      VAL  50  -4.803  -2.942   0.913
  118   2HG2  VAL  50          2HG2      VAL  50  -6.500  -2.754   1.354
  119   3HG2  VAL  50          3HG2      VAL  50  -5.250  -1.948   2.300
  120    H    CYS  51           H        CYS  51  -4.257  -2.148   5.960
  121    HA   CYS  51           HA       CYS  51  -1.814  -1.397   4.496
  122   1HB   CYS  51          2HB       CYS  51  -2.934   0.170   6.803
  123   2HB   CYS  51          1HB       CYS  51  -1.857   0.713   5.521
  124    H    LYS  52           H        LYS  52  -1.853  -3.806   5.865
  125    HA   LYS  52           HA       LYS  52  -0.808  -3.531   8.512
  126   1HB   LYS  52          2HB       LYS  52  -0.828  -5.862   6.590
  127   2HB   LYS  52          1HB       LYS  52  -0.254  -5.962   8.249
  128   1HG   LYS  52          2HG       LYS  52  -2.602  -5.038   8.848
  129   2HG   LYS  52          1HG       LYS  52  -3.035  -5.594   7.230
  130   1HD   LYS  52          2HD       LYS  52  -1.592  -7.428   9.100
  131   2HD   LYS  52          1HD       LYS  52  -3.332  -7.185   9.274
  132   1HE   LYS  52          2HE       LYS  52  -1.951  -8.052   6.737
  133   2HE   LYS  52          1HE       LYS  52  -2.754  -9.139   7.870
  134   1HZ   LYS  52          1HZ       LYS  52  -3.988  -7.026   6.200
  135   2HZ   LYS  52          2HZ       LYS  52  -4.805  -7.771   7.481
  136   3HZ   LYS  52          3HZ       LYS  52  -4.288  -8.690   6.158
  137    H    GLY  53           H        GLY  53   1.347  -4.169   9.187
  138   1HA   GLY  53          2HA       GLY  53   3.649  -4.293   8.984
  139   2HA   GLY  53          1HA       GLY  53   3.459  -4.310   7.238
  140    H    GLY  54           H        GLY  54   4.194  -2.422   9.996
  141   1HA   GLY  54          2HA       GLY  54   4.983  -0.214   8.285
  142   2HA   GLY  54          1HA       GLY  54   3.714   0.160   9.443
  143    H    GLU  55           H        GLU  55   6.042  -2.195  10.374
  144    HA   GLU  55           HA       GLU  55   7.357  -0.190  12.088
  145   1HB   GLU  55          2HB       GLU  55   7.768  -2.181  13.634
  146   2HB   GLU  55          1HB       GLU  55   6.124  -1.564  13.547
  147   1HG   GLU  55          2HG       GLU  55   6.042  -3.945  13.529
  148   2HG   GLU  55          1HG       GLU  55   5.588  -3.362  11.929
  149    H    ALA  56           H        ALA  56   9.535  -1.111  12.944
  150    HA   ALA  56           HA       ALA  56  11.703  -1.610  12.460
  151   1HB   ALA  56          1HB       ALA  56  10.862  -3.652  10.461
  152   2HB   ALA  56          2HB       ALA  56  10.422  -3.881  12.153
  153   3HB   ALA  56          3HB       ALA  56  12.119  -3.730  11.696
  154    H    ALA  57           H        ALA  57  10.528   0.496  10.974
  155    HA   ALA  57           HA       ALA  57  12.435   0.691   8.842
  156   1HB   ALA  57          1HB       ALA  57  11.194   0.232   7.056
  157   2HB   ALA  57          2HB       ALA  57   9.876   1.255   7.630
  158   3HB   ALA  57          3HB       ALA  57   9.982  -0.425   8.157
  159    H    GLU  58           H        GLU  58  13.157   2.704   8.980
  160    HA   GLU  58           HA       GLU  58  11.477   4.763  10.175
  161   1HB   GLU  58          2HB       GLU  58  13.964   4.284  10.747
  162   2HB   GLU  58          1HB       GLU  58  14.312   5.170   9.269
  163   1HG   GLU  58          2HG       GLU  58  12.759   6.979  10.331
  164   2HG   GLU  58          1HG       GLU  58  13.155   6.145  11.833
  165    H    ALA  59           H        ALA  59  10.037   4.890   8.326
  166    HA   ALA  59           HA       ALA  59  11.135   6.638   6.229
  167   1HB   ALA  59          1HB       ALA  59   9.481   5.528   4.658
  168   2HB   ALA  59          2HB       ALA  59   9.337   4.257   5.871
  169   3HB   ALA  59          3HB       ALA  59  10.897   4.580   5.113
  170    H    GLU  60           H        GLU  60  10.294   8.549   6.872
  171    HA   GLU  60           HA       GLU  60   7.606   8.763   7.886
  172   1HB   GLU  60          2HB       GLU  60   9.745  10.204   8.435
  173   2HB   GLU  60          1HB       GLU  60   9.209  11.143   7.048
  174   1HG   GLU  60          2HG       GLU  60   6.980  11.356   8.173
  175   2HG   GLU  60          1HG       GLU  60   7.711  10.626   9.602
  176    H    ALA  61           H        ALA  61   5.876   8.805   6.628
  177    HA   ALA  61           HA       ALA  61   5.553  10.585   4.472
  178   1HB   ALA  61          1HB       ALA  61   7.022   9.093   3.264
  179   2HB   ALA  61          2HB       ALA  61   5.385   8.968   2.617
  180   3HB   ALA  61          3HB       ALA  61   6.010   7.710   3.685
  181    H    GLU  62           H        GLU  62   3.428  10.571   3.619
  182    HA   GLU  62           HA       GLU  62   1.553   8.896   5.155
  183   1HB   GLU  62          2HB       GLU  62  -0.090  10.793   4.640
  184   2HB   GLU  62          1HB       GLU  62   1.157  11.104   5.840
  185   1HG   GLU  62          2HG       GLU  62   2.446  12.363   4.266
  186   2HG   GLU  62          1HG       GLU  62   1.352  11.927   2.954
  187    H    LYS  63           H        LYS  63   2.918   8.669   2.390
  188    HA   LYS  63           HA       LYS  63   0.583   8.573   0.648
  189   1HB   LYS  63          2HB       LYS  63   2.879   9.447  -0.063
  190   2HB   LYS  63          1HB       LYS  63   3.396   7.766  -0.072
  191   1HG   LYS  63          2HG       LYS  63   2.835   8.274  -2.293
  192   2HG   LYS  63          1HG       LYS  63   1.483   7.325  -1.669
  193   1HD   LYS  63          2HD       LYS  63   1.278  10.254  -1.348
  194   2HD   LYS  63          1HD       LYS  63   1.188   9.645  -3.002
  195   1HE   LYS  63          2HE       LYS  63  -0.469   7.915  -1.784
  196   2HE   LYS  63          1HE       LYS  63  -0.695   9.324  -0.747
  197   1HZ   LYS  63          1HZ       LYS  63  -1.774  10.431  -2.348
  198   2HZ   LYS  63          2HZ       LYS  63  -2.031   8.902  -3.025
  199   3HZ   LYS  63          3HZ       LYS  63  -0.764   9.874  -3.586
  200    H    CYS  64           H        CYS  64  -0.669   6.834   0.862
  201    HA   CYS  64           HA       CYS  64  -0.041   4.411   2.009
  202   1HB   CYS  64          2HB       CYS  64  -2.198   5.468   0.372
  203   2HB   CYS  64          1HB       CYS  64  -1.913   3.761   0.049
  204    H    SER  65           H        SER  65   1.662   3.200   1.464
  205    HA   SER  65           HA       SER  65   2.346   2.834  -1.352
  206   1HB   SER  65          2HB       SER  65   3.840   1.764   1.046
  207   2HB   SER  65          1HB       SER  65   4.445   1.974  -0.596
  208    HG   SER  65           HG       SER  65   4.983   3.919  -0.051
  209    H    CYS  66           H        CYS  66   0.011   1.570   0.128
  210    HA   CYS  66           HA       CYS  66   0.543  -1.169  -0.784
  211   1HB   CYS  66          2HB       CYS  66  -1.113  -1.706   1.262
  212   2HB   CYS  66          1HB       CYS  66   0.640  -1.713   1.426
  213    H    CYS  67           H        CYS  67  -1.122   1.459  -1.393
  214    HA   CYS  67           HA       CYS  67  -3.402  -0.025  -2.441
  215   1HB   CYS  67          2HB       CYS  67  -3.708   2.452  -0.730
  216   2HB   CYS  67          1HB       CYS  67  -5.007   1.666  -1.621
  217    H    GLN  68           H        GLN  68  -0.972   1.361  -3.470
  218    HA   GLN  68           HA       GLN  68  -2.235   3.459  -5.096
  219   1HB   GLN  68          2HB       GLN  68  -0.293   4.271  -3.954
  220   2HB   GLN  68          1HB       GLN  68   0.659   2.886  -4.467
  221   1HG   GLN  68          2HG       GLN  68   1.197   4.938  -5.707
  222   2HG   GLN  68          1HG       GLN  68   0.623   3.636  -6.747
  223   1HE2  GLN  68          1HE2      GLN  68  -0.573   6.443  -4.946
  224   2HE2  GLN  68          2HE2      GLN  68  -1.735   6.925  -6.129
  Start of MODEL   10
    1   1H    LYS  32          1H        LYS  32 -13.975   8.983  10.157
    2    HA   LYS  32           HA       LYS  32 -15.117   6.267  10.046
    3   1HB   LYS  32          2HB       LYS  32 -14.947   8.378   7.894
    4   2HB   LYS  32          1HB       LYS  32 -15.363   6.700   7.572
    5   1HG   LYS  32          2HG       LYS  32 -16.925   8.165   9.632
    6   2HG   LYS  32          1HG       LYS  32 -17.211   8.538   7.930
    7   1HD   LYS  32          2HD       LYS  32 -18.717   6.841   8.216
    8   2HD   LYS  32          1HD       LYS  32 -17.301   5.905   7.732
    9   1HE   LYS  32          2HE       LYS  32 -16.902   5.154   9.885
   10   2HE   LYS  32          1HE       LYS  32 -17.794   6.483  10.623
   11   1HZ   LYS  32          1HZ       LYS  32 -19.849   5.507   9.901
   12   2HZ   LYS  32          2HZ       LYS  32 -18.968   4.343  10.754
   13   3HZ   LYS  32          3HZ       LYS  32 -19.036   4.282   9.064
   14    H    SER  33           H        SER  33 -12.419   8.342   9.275
   15    HA   SER  33           HA       SER  33 -10.943   6.663   7.612
   16   1HB   SER  33          2HB       SER  33  -9.077   8.037   8.084
   17   2HB   SER  33          1HB       SER  33 -10.472   9.100   8.266
   18    HG   SER  33           HG       SER  33  -8.874   7.922  10.273
   19    H    CYS  34           H        CYS  34  -9.255   5.197   8.007
   20    HA   CYS  34           HA       CYS  34  -9.128   4.110  10.740
   21   1HB   CYS  34          2HB       CYS  34  -8.828   1.837   9.534
   22   2HB   CYS  34          1HB       CYS  34 -10.451   2.500   9.689
   23    H    CYS  35           H        CYS  35  -7.355   5.944   9.312
   24    HA   CYS  35           HA       CYS  35  -4.881   4.907  10.062
   25   1HB   CYS  35          2HB       CYS  35  -3.876   4.679   7.727
   26   2HB   CYS  35          1HB       CYS  35  -4.916   3.365   8.269
   27    H    SER  36           H        SER  36  -3.063   6.181   8.606
   28    HA   SER  36           HA       SER  36  -4.019   8.951   8.338
   29   1HB   SER  36          2HB       SER  36  -1.713   7.900   9.943
   30   2HB   SER  36          1HB       SER  36  -1.639   9.526   9.265
   31    HG   SER  36           HG       SER  36  -3.525  10.033  10.399
   32    H    CYS  37           H        CYS  37  -3.344   6.749   6.416
   33    HA   CYS  37           HA       CYS  37  -1.388   8.269   4.828
   34   1HB   CYS  37          2HB       CYS  37  -0.912   5.824   3.877
   35   2HB   CYS  37          1HB       CYS  37  -0.040   6.473   5.262
   36    H    CYS  38           H        CYS  38  -4.490   7.344   5.064
   37    HA   CYS  38           HA       CYS  38  -4.910   7.614   2.193
   38   1HB   CYS  38          2HB       CYS  38  -6.013   5.303   3.805
   39   2HB   CYS  38          1HB       CYS  38  -6.500   5.705   2.161
   40    HA   PRO  39           HA       PRO  39  -8.323  10.090   3.412
   41   1HB   PRO  39          2HB       PRO  39 -10.034   9.696   1.342
   42   2HB   PRO  39          1HB       PRO  39  -8.555  10.653   1.196
   43   1HG   PRO  39          2HG       PRO  39  -9.061   7.815   0.392
   44   2HG   PRO  39          1HG       PRO  39  -8.191   9.087  -0.484
   45   1HD   PRO  39          2HD       PRO  39  -6.917   7.155   0.921
   46   2HD   PRO  39          1HD       PRO  39  -6.267   8.798   0.751
   47    H    ALA  40           H        ALA  40 -10.922   9.909   3.268
   48    HA   ALA  40           HA       ALA  40 -11.568   7.467   4.760
   49   1HB   ALA  40          1HB       ALA  40 -13.602   8.778   5.461
   50   2HB   ALA  40          2HB       ALA  40 -12.883  10.171   4.654
   51   3HB   ALA  40          3HB       ALA  40 -12.054   9.416   6.016
   52    H    GLU  41           H        GLU  41 -11.444   7.795   1.760
   53    HA   GLU  41           HA       GLU  41 -14.072   6.616   1.225
   54   1HB   GLU  41          2HB       GLU  41 -14.448   7.919  -0.730
   55   2HB   GLU  41          1HB       GLU  41 -14.061   9.048   0.561
   56   1HG   GLU  41          2HG       GLU  41 -11.779   9.234  -0.273
   57   2HG   GLU  41          1HG       GLU  41 -12.152   8.089  -1.560
   58    H    CYS  42           H        CYS  42 -10.994   5.999   1.360
   59    HA   CYS  42           HA       CYS  42 -10.167   5.125  -1.166
   60   1HB   CYS  42          2HB       CYS  42  -8.727   5.353   0.887
   61   2HB   CYS  42          1HB       CYS  42  -9.434   3.851   1.476
   62    H    GLU  43           H        GLU  43 -10.204   3.106  -2.172
   63    HA   GLU  43           HA       GLU  43 -12.570   1.541  -1.607
   64   1HB   GLU  43          2HB       GLU  43 -10.474   1.233  -3.764
   65   2HB   GLU  43          1HB       GLU  43 -11.979   0.330  -3.674
   66   1HG   GLU  43          2HG       GLU  43 -12.454   1.988  -5.208
   67   2HG   GLU  43          1HG       GLU  43 -13.119   2.634  -3.708
   68    H    LYS  44           H        LYS  44  -9.074   0.922  -1.838
   69    HA   LYS  44           HA       LYS  44  -9.079  -1.769  -1.170
   70   1HB   LYS  44          2HB       LYS  44  -7.077   0.433  -0.835
   71   2HB   LYS  44          1HB       LYS  44  -6.748  -1.149  -0.142
   72   1HG   LYS  44          2HG       LYS  44  -5.712  -1.042  -2.283
   73   2HG   LYS  44          1HG       LYS  44  -7.090  -2.139  -2.398
   74   1HD   LYS  44          2HD       LYS  44  -7.005  -0.681  -4.340
   75   2HD   LYS  44          1HD       LYS  44  -8.434  -0.323  -3.368
   76   1HE   LYS  44          2HE       LYS  44  -7.355   1.609  -2.412
   77   2HE   LYS  44          1HE       LYS  44  -5.841   1.210  -3.222
   78   1HZ   LYS  44          1HZ       LYS  44  -6.605   1.943  -5.216
   79   2HZ   LYS  44          2HZ       LYS  44  -7.513   2.958  -4.213
   80   3HZ   LYS  44          3HZ       LYS  44  -8.223   1.575  -4.881
   81    H    CYS  45           H        CYS  45  -9.356   1.056   0.881
   82    HA   CYS  45           HA       CYS  45  -9.245  -0.592   3.292
   83   1HB   CYS  45          2HB       CYS  45  -9.279   2.385   2.821
   84   2HB   CYS  45          1HB       CYS  45  -9.505   1.694   4.424
   85    H    ALA  46           H        ALA  46 -11.465  -0.728   1.343
   86    HA   ALA  46           HA       ALA  46 -13.734   0.550   2.538
   87   1HB   ALA  46          1HB       ALA  46 -13.574  -1.661   0.494
   88   2HB   ALA  46          2HB       ALA  46 -13.728   0.065   0.167
   89   3HB   ALA  46          3HB       ALA  46 -15.046  -0.804   0.955
   90    H    LYS  47           H        LYS  47 -13.358  -2.933   1.954
   91    HA   LYS  47           HA       LYS  47 -15.106  -3.735   3.969
   92   1HB   LYS  47          2HB       LYS  47 -13.979  -5.969   3.753
   93   2HB   LYS  47          1HB       LYS  47 -14.537  -5.277   2.237
   94   1HG   LYS  47          2HG       LYS  47 -12.200  -4.448   1.867
   95   2HG   LYS  47          1HG       LYS  47 -11.717  -5.406   3.269
   96   1HD   LYS  47          2HD       LYS  47 -11.287  -6.871   1.539
   97   2HD   LYS  47          1HD       LYS  47 -12.924  -7.344   2.000
   98   1HE   LYS  47          2HE       LYS  47 -13.855  -6.066   0.185
   99   2HE   LYS  47          1HE       LYS  47 -12.272  -5.403  -0.215
  100   1HZ   LYS  47          1HZ       LYS  47 -12.694  -8.317  -0.244
  101   2HZ   LYS  47          2HZ       LYS  47 -11.566  -7.392  -1.101
  102   3HZ   LYS  47          3HZ       LYS  47 -13.193  -7.382  -1.563
  103    H    ASP  48           H        ASP  48 -11.557  -3.538   4.020
  104    HA   ASP  48           HA       ASP  48 -11.585  -2.978   6.845
  105   1HB   ASP  48          2HB       ASP  48 -10.739  -5.638   5.782
  106   2HB   ASP  48          1HB       ASP  48  -9.828  -4.942   7.119
  107    H    CYS  49           H        CYS  49  -9.444  -2.432   7.670
  108    HA   CYS  49           HA       CYS  49  -7.983  -0.855   5.832
  109   1HB   CYS  49          2HB       CYS  49  -8.196  -0.404   8.289
  110   2HB   CYS  49          1HB       CYS  49  -7.098  -1.749   8.581
  111    H    VAL  50           H        VAL  50  -6.837  -1.760   4.242
  112    HA   VAL  50           HA       VAL  50  -5.333  -4.214   4.739
  113    HB   VAL  50           HB       VAL  50  -4.928  -4.238   2.315
  114   1HG1  VAL  50          1HG1      VAL  50  -7.850  -3.743   2.844
  115   2HG1  VAL  50          2HG1      VAL  50  -7.129  -4.824   1.649
  116   3HG1  VAL  50          3HG1      VAL  50  -7.006  -5.200   3.368
  117   1HG2  VAL  50          1HG2      VAL  50  -6.702  -1.812   2.143
  118   2HG2  VAL  50          2HG2      VAL  50  -4.941  -1.728   2.095
  119   3HG2  VAL  50          3HG2      VAL  50  -5.817  -2.603   0.839
  120    H    CYS  51           H        CYS  51  -4.378  -1.932   6.073
  121    HA   CYS  51           HA       CYS  51  -1.872  -1.397   4.617
  122   1HB   CYS  51          2HB       CYS  51  -2.951   0.361   6.809
  123   2HB   CYS  51          1HB       CYS  51  -1.752   0.751   5.579
  124    H    LYS  52           H        LYS  52  -0.839  -3.236   5.458
  125    HA   LYS  52           HA       LYS  52  -0.726  -3.884   8.201
  126   1HB   LYS  52          2HB       LYS  52   1.232  -4.532   5.989
  127   2HB   LYS  52          1HB       LYS  52   1.203  -5.296   7.573
  128   1HG   LYS  52          2HG       LYS  52  -0.739  -6.462   7.122
  129   2HG   LYS  52          1HG       LYS  52  -1.231  -5.350   5.843
  130   1HD   LYS  52          2HD       LYS  52  -0.535  -7.203   4.642
  131   2HD   LYS  52          1HD       LYS  52   0.914  -6.194   4.642
  132   1HE   LYS  52          2HE       LYS  52   1.756  -8.272   5.212
  133   2HE   LYS  52          1HE       LYS  52   1.527  -7.515   6.787
  134   1HZ   LYS  52          1HZ       LYS  52   0.034  -9.037   7.361
  135   2HZ   LYS  52          2HZ       LYS  52   0.544  -9.933   6.020
  136   3HZ   LYS  52          3HZ       LYS  52  -0.802  -8.917   5.895
  137    H    GLY  53           H        GLY  53   1.740  -4.111   9.099
  138   1HA   GLY  53          2HA       GLY  53   2.481  -1.392   9.688
  139   2HA   GLY  53          1HA       GLY  53   3.225  -2.844  10.343
  140    H    GLY  54           H        GLY  54   4.136  -4.143   8.139
  141   1HA   GLY  54          2HA       GLY  54   5.415  -3.681   6.103
  142   2HA   GLY  54          1HA       GLY  54   5.919  -2.172   6.850
  143    H    GLU  55           H        GLU  55   8.076  -2.379   7.004
  144    HA   GLU  55           HA       GLU  55   9.108  -4.775   8.377
  145   1HB   GLU  55          2HB       GLU  55  11.271  -4.275   7.203
  146   2HB   GLU  55          1HB       GLU  55   9.957  -4.774   6.147
  147   1HG   GLU  55          2HG       GLU  55   9.636  -2.589   5.340
  148   2HG   GLU  55          1HG       GLU  55  10.622  -1.887   6.623
  149    H    ALA  56           H        ALA  56   8.107  -2.350   9.623
  150    HA   ALA  56           HA       ALA  56   8.646  -0.915  11.305
  151   1HB   ALA  56          1HB       ALA  56  10.589  -1.476  12.695
  152   2HB   ALA  56          2HB       ALA  56  11.124  -2.627  11.469
  153   3HB   ALA  56          3HB       ALA  56   9.608  -2.895  12.329
  154    H    ALA  57           H        ALA  57   9.171   0.009   8.742
  155    HA   ALA  57           HA       ALA  57  11.722   1.008   8.256
  156   1HB   ALA  57          1HB       ALA  57  10.233   1.156   6.473
  157   2HB   ALA  57          2HB       ALA  57  10.433   2.833   6.979
  158   3HB   ALA  57          3HB       ALA  57   8.989   1.937   7.450
  159    H    GLU  58           H        GLU  58   9.314   2.037  10.519
  160    HA   GLU  58           HA       GLU  58   9.213   3.741  12.029
  161   1HB   GLU  58          2HB       GLU  58  12.220   3.556  11.783
  162   2HB   GLU  58          1HB       GLU  58  11.356   4.373  13.077
  163   1HG   GLU  58          2HG       GLU  58  10.748   1.512  12.563
  164   2HG   GLU  58          1HG       GLU  58  12.267   1.924  13.359
  165    H    ALA  59           H        ALA  59   8.569   4.749   9.700
  166    HA   ALA  59           HA       ALA  59   9.820   7.392   9.723
  167   1HB   ALA  59          1HB       ALA  59  10.686   7.296   7.673
  168   2HB   ALA  59          2HB       ALA  59   9.220   6.577   7.007
  169   3HB   ALA  59          3HB       ALA  59  10.445   5.550   7.754
  170    H    GLU  60           H        GLU  60   8.504   9.052   8.733
  171    HA   GLU  60           HA       GLU  60   5.651   8.417   8.947
  172   1HB   GLU  60          2HB       GLU  60   7.187  11.006   9.105
  173   2HB   GLU  60          1HB       GLU  60   5.433  10.957   8.986
  174   1HG   GLU  60          2HG       GLU  60   5.327   9.666  11.056
  175   2HG   GLU  60          1HG       GLU  60   7.085   9.716  11.176
  176    H    ALA  61           H        ALA  61   4.846   7.793   7.037
  177    HA   ALA  61           HA       ALA  61   5.389   9.505   4.701
  178   1HB   ALA  61          1HB       ALA  61   4.604   6.738   4.124
  179   2HB   ALA  61          2HB       ALA  61   6.180   6.916   4.894
  180   3HB   ALA  61          3HB       ALA  61   5.840   7.750   3.377
  181    H    GLU  62           H        GLU  62   3.666   9.874   3.270
  182    HA   GLU  62           HA       GLU  62   1.015   9.304   4.418
  183   1HB   GLU  62          2HB       GLU  62   0.265  11.308   3.106
  184   2HB   GLU  62          1HB       GLU  62   1.401  11.660   4.400
  185   1HG   GLU  62          2HG       GLU  62   2.464  11.195   1.664
  186   2HG   GLU  62          1HG       GLU  62   1.662  12.723   2.014
  187    H    LYS  63           H        LYS  63   3.041   8.989   1.640
  188    HA   LYS  63           HA       LYS  63   0.948   8.397  -0.227
  189   1HB   LYS  63          2HB       LYS  63   3.444   9.190  -0.606
  190   2HB   LYS  63          1HB       LYS  63   3.751   7.459  -0.648
  191   1HG   LYS  63          2HG       LYS  63   3.442   8.109  -2.881
  192   2HG   LYS  63          1HG       LYS  63   1.938   7.315  -2.407
  193   1HD   LYS  63          2HD       LYS  63   0.749   9.290  -2.375
  194   2HD   LYS  63          1HD       LYS  63   2.187  10.274  -2.098
  195   1HE   LYS  63          2HE       LYS  63   1.724  10.760  -4.299
  196   2HE   LYS  63          1HE       LYS  63   2.867   9.430  -4.473
  197   1HZ   LYS  63          1HZ       LYS  63   0.334   9.574  -5.529
  198   2HZ   LYS  63          2HZ       LYS  63   0.201   8.470  -4.254
  199   3HZ   LYS  63          3HZ       LYS  63   1.335   8.209  -5.484
  200    H    CYS  64           H        CYS  64  -0.315   6.703   0.342
  201    HA   CYS  64           HA       CYS  64   0.392   4.411   1.703
  202   1HB   CYS  64          2HB       CYS  64  -1.840   5.273   0.041
  203   2HB   CYS  64          1HB       CYS  64  -1.549   3.541  -0.083
  204    H    SER  65           H        SER  65   1.878   2.938   1.250
  205    HA   SER  65           HA       SER  65   2.646   2.459  -1.527
  206   1HB   SER  65          2HB       SER  65   4.390   2.897   0.217
  207   2HB   SER  65          1HB       SER  65   3.927   1.384   0.995
  208    HG   SER  65           HG       SER  65   4.877   0.278  -0.550
  209    H    CYS  66           H        CYS  66   0.177   1.414  -0.014
  210    HA   CYS  66           HA       CYS  66   0.457  -1.351  -0.957
  211   1HB   CYS  66          2HB       CYS  66  -1.168  -1.800   1.120
  212   2HB   CYS  66          1HB       CYS  66   0.583  -1.909   1.254
  213    H    CYS  67           H        CYS  67  -0.995   1.412  -1.496
  214    HA   CYS  67           HA       CYS  67  -3.419   0.140  -2.496
  215   1HB   CYS  67          2HB       CYS  67  -3.459   2.587  -0.719
  216   2HB   CYS  67          1HB       CYS  67  -4.844   1.976  -1.617
  217    H    GLN  68           H        GLN  68  -2.985   0.478  -4.606
  218    HA   GLN  68           HA       GLN  68  -2.190   3.165  -5.469
  219   1HB   GLN  68          2HB       GLN  68  -1.750   2.019  -7.671
  220   2HB   GLN  68          1HB       GLN  68  -0.731   1.501  -6.335
  221   1HG   GLN  68          2HG       GLN  68  -2.036  -0.502  -6.055
  222   2HG   GLN  68          1HG       GLN  68  -3.178   0.033  -7.287
  223   1HE2  GLN  68          1HE2      GLN  68  -2.562  -2.153  -8.109
  224   2HE2  GLN  68          2HE2      GLN  68  -1.211  -2.244  -9.181